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(Nc1ccc(O)cc1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000478411938 782703620 /nfs/dbraw/zinc/70/36/20/782703620.db2.gz OOYMHODNAGRPKK-UHFFFAOYSA-N 0 3 359.386 1.848 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2ncc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064857 777713150 /nfs/dbraw/zinc/71/31/50/777713150.db2.gz PFIBPZFIKBKINZ-LXTVHRRPSA-N 0 3 356.382 1.744 20 5 FDBDHN COc1cc(CNC[C@H](O)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276790928 779590588 /nfs/dbraw/zinc/59/05/88/779590588.db2.gz RBQHRQQORFIMKO-INIZCTEOSA-N 0 3 362.382 1.625 20 5 FDBDHN COc1c(O)ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000891923180 780210799 /nfs/dbraw/zinc/21/07/99/780210799.db2.gz COXVWUSKCUNQGJ-KGLIPLIRSA-N 0 3 351.403 1.340 20 5 FDBDHN CCNc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000472083216 781499216 /nfs/dbraw/zinc/49/92/16/781499216.db2.gz CIYGKPFNUUDGKP-CQSZACIVSA-N 0 3 363.462 1.782 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277764424 783237275 /nfs/dbraw/zinc/23/72/75/783237275.db2.gz KVSJXTKPJLEMNC-UHFFFAOYSA-N 0 3 360.418 1.462 20 5 FDBDHN CN1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000364573388 785101524 /nfs/dbraw/zinc/10/15/24/785101524.db2.gz YDGZERYSYJCZES-YOEHRIQHSA-N 0 3 358.402 1.386 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000364938673 785238466 /nfs/dbraw/zinc/23/84/66/785238466.db2.gz IPCDSSFBLMTWJR-AWEZNQCLSA-N 0 3 361.446 1.418 20 5 FDBDHN C[C@@]1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CN2CCC1CC2 ZINC000892775545 791178651 /nfs/dbraw/zinc/17/86/51/791178651.db2.gz BRNKMVQKMGPVLR-FUHWJXTLSA-N 0 3 358.398 1.688 20 5 FDBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CN2CCC1CC2 ZINC000892800555 791281478 /nfs/dbraw/zinc/28/14/78/791281478.db2.gz UIMVXUNDYBURAK-IBGZPJMESA-N 0 3 374.441 1.646 20 5 FDBDHN CS[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000892999686 792388925 /nfs/dbraw/zinc/38/89/25/792388925.db2.gz DFSSZSPOZHOOAK-KBPBESRZSA-N 0 3 362.455 1.929 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCN([C@@H](C)CO)CC2)c1F ZINC000412285940 793046054 /nfs/dbraw/zinc/04/60/54/793046054.db2.gz UZACRVRUWPAEHX-LBPRGKRZSA-N 0 3 369.393 1.200 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOC2(CNC2)C1 ZINC000418089268 795522062 /nfs/dbraw/zinc/52/20/62/795522062.db2.gz LYPXSXYBHWBYSX-UHFFFAOYSA-N 0 3 374.319 1.497 20 5 FDBDHN CC(C)(C(=O)N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413806068 814181272 /nfs/dbraw/zinc/18/12/72/814181272.db2.gz DVZVNRZBFKAEDZ-ZDUSSCGKSA-N 0 3 367.421 1.975 20 5 FDBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000421707270 814271880 /nfs/dbraw/zinc/27/18/80/814271880.db2.gz XFNCEPPFZCOZNM-HNNXBMFYSA-N 0 3 358.402 1.650 20 5 FDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000430107814 815744728 /nfs/dbraw/zinc/74/47/28/815744728.db2.gz YNIDSWYCXLXQIH-OAHLLOKOSA-N 0 3 373.413 1.647 20 5 FDBDHN NC(=O)c1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425273912 815908183 /nfs/dbraw/zinc/90/81/83/815908183.db2.gz KJYMKRFTAGWQBQ-GOEBONIOSA-N 0 3 367.409 1.799 20 5 FDBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000426158794 817714359 /nfs/dbraw/zinc/71/43/59/817714359.db2.gz FCQJEZDOKWFFSU-UHFFFAOYSA-N 0 3 363.462 1.667 20 5 FDBDHN CN(CCN1CCN(Cn2nccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000729465735 818322721 /nfs/dbraw/zinc/32/27/21/818322721.db2.gz FLJPZPHPFYZFOK-UHFFFAOYSA-N 0 3 358.446 1.498 20 5 FDBDHN CC(C)(C)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000519716714 819017454 /nfs/dbraw/zinc/01/74/54/819017454.db2.gz WKSZJFBOXLEINZ-OCCSQVGLSA-N 0 3 360.414 1.276 20 5 FDBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000473984586 819839968 /nfs/dbraw/zinc/83/99/68/819839968.db2.gz QDEWWRCGOLYPQP-BBRMVZONSA-N 0 3 368.386 1.430 20 5 FDBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000473984587 819840181 /nfs/dbraw/zinc/84/01/81/819840181.db2.gz QDEWWRCGOLYPQP-CJNGLKHVSA-N 0 3 368.386 1.430 20 5 FDBDHN CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCCN(C)C1 ZINC000525620377 828671339 /nfs/dbraw/zinc/67/13/39/828671339.db2.gz PDBKHBOLSIAJDD-CHWSQXEVSA-N 0 3 364.402 1.345 20 5 FDBDHN CC(C)NC(=O)c1ccc(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000897099788 827004208 /nfs/dbraw/zinc/00/42/08/827004208.db2.gz PXFAMFXHEWXHEQ-UHFFFAOYSA-N 0 3 363.462 1.417 20 5 FDBDHN Cc1nc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC000985426286 827788089 /nfs/dbraw/zinc/78/80/89/827788089.db2.gz PSCIRWWWOIOVIF-UKRRQHHQSA-N 0 3 352.460 1.848 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444454077 828107034 /nfs/dbraw/zinc/10/70/34/828107034.db2.gz MGXMLEBUSBFQCV-UHFFFAOYSA-N 0 3 359.386 1.387 20 5 FDBDHN COCCO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000444755987 828189559 /nfs/dbraw/zinc/18/95/59/828189559.db2.gz ZWNMORIOFWRGCE-AWEZNQCLSA-N 0 3 365.386 1.630 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450101647 829812513 /nfs/dbraw/zinc/81/25/13/829812513.db2.gz CWAVNEXUBYESLZ-DOMZBBRYSA-N 0 3 355.398 1.993 20 5 FDBDHN Cn1c(=O)cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)c1=O ZINC000451543437 830391299 /nfs/dbraw/zinc/39/12/99/830391299.db2.gz BOPYEZYFBORCER-AWEZNQCLSA-N 0 3 358.398 1.372 20 5 FDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000451777961 830443344 /nfs/dbraw/zinc/44/33/44/830443344.db2.gz XNPRAFAOVHNDON-OLZOCXBDSA-N 0 3 365.386 1.863 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520234497 830860514 /nfs/dbraw/zinc/86/05/14/830860514.db2.gz KCPXRAKDOHYOLJ-UHFFFAOYSA-N 0 3 364.377 1.114 20 5 FDBDHN CNc1nc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000454383681 835433062 /nfs/dbraw/zinc/43/30/62/835433062.db2.gz OXOJKHPVNKWCTG-CQSZACIVSA-N 0 3 357.414 1.934 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000476135772 839945323 /nfs/dbraw/zinc/94/53/23/839945323.db2.gz FAWCXABLDOPKLU-CQSZACIVSA-N 0 3 366.418 1.513 20 5 FDBDHN COc1c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000476450398 841322787 /nfs/dbraw/zinc/32/27/87/841322787.db2.gz BJSIFUAOQFOOQG-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000898833074 845310748 /nfs/dbraw/zinc/31/07/48/845310748.db2.gz UHEZCGYDKSKZDC-MRXNPFEDSA-N 0 3 372.429 1.791 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906972905 853602832 /nfs/dbraw/zinc/60/28/32/853602832.db2.gz QFOAWWFEESPVTI-FZMZJTMJSA-N 0 3 361.398 1.969 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c1 ZINC000907553219 854352536 /nfs/dbraw/zinc/35/25/36/854352536.db2.gz DNCXDCYORVCMHF-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000911302582 858438572 /nfs/dbraw/zinc/43/85/72/858438572.db2.gz RENFIDSCSWXXHN-GXTWGEPZSA-N 0 3 361.398 1.922 20 5 FDBDHN Cc1cc(OCC(=O)N(CCO)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000911942532 859140111 /nfs/dbraw/zinc/14/01/11/859140111.db2.gz FUWQOBJRXKGPDF-UHFFFAOYSA-N 0 3 351.403 1.197 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000912606945 859949092 /nfs/dbraw/zinc/94/90/92/859949092.db2.gz IZTYBLOCYJYRMC-UHFFFAOYSA-N 0 3 360.208 1.353 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000916666106 882021361 /nfs/dbraw/zinc/02/13/61/882021361.db2.gz DEMVPAUYZSIGNS-MNOVXSKESA-N 0 3 359.835 1.820 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282102374 870939765 /nfs/dbraw/zinc/93/97/65/870939765.db2.gz PJXRBSYBEDREGP-RHSMWYFYSA-N 0 3 374.445 1.565 20 5 FDBDHN CCOc1ccccc1OCCN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661181 886968249 /nfs/dbraw/zinc/96/82/49/886968249.db2.gz QJIBWVOSPAGHKW-HUUCEWRRSA-N 0 3 363.414 1.177 20 5 FDBDHN Cc1ccc2c(CN3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)cc(=O)oc2c1 ZINC001031661755 886972908 /nfs/dbraw/zinc/97/29/08/886972908.db2.gz HISHRSJMAWFXCC-HZPDHXFCSA-N 0 3 371.393 1.315 20 5 FDBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842914949 907532326 /nfs/dbraw/zinc/53/23/26/907532326.db2.gz OHPXNJBCDKODFB-HTQZYQBOSA-N 0 3 366.237 1.761 20 5 FDBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273281049 912143898 /nfs/dbraw/zinc/14/38/98/912143898.db2.gz DLLUMVZYYGUCSV-ZIAGYGMSSA-N 0 3 366.414 1.998 20 5 FDBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273281032 912145812 /nfs/dbraw/zinc/14/58/12/912145812.db2.gz DLLUMVZYYGUCSV-KBPBESRZSA-N 0 3 366.414 1.998 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731632956 918330082 /nfs/dbraw/zinc/33/00/82/918330082.db2.gz XKAWXYHWIUJFOF-UHFFFAOYSA-N 0 3 351.403 1.832 20 5 FDBDHN O=C(NC[C@H]1C[C@@H](NCc2csc(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082866 925917821 /nfs/dbraw/zinc/91/78/21/925917821.db2.gz GGBXOCVKPAFTGZ-QEGRKFQGSA-N 0 3 350.444 1.670 20 5 FDBDHN O=C(NC[C@H]1C[C@@H](NCc2nnc(C3CC3)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084287 925920903 /nfs/dbraw/zinc/92/09/03/925920903.db2.gz LGIDTNAZQZPTAS-SASUGWTJSA-N 0 3 351.432 1.065 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)C1 ZINC001169025477 928250504 /nfs/dbraw/zinc/25/05/04/928250504.db2.gz JHBIBZDOMUKWKD-NQNKBUKLSA-N 0 3 362.430 1.780 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@H]1N1CCN(C)CC1 ZINC000787187708 932219496 /nfs/dbraw/zinc/21/94/96/932219496.db2.gz YOTJYOOQULQAHW-CXAGYDPISA-N 0 3 361.446 1.275 20 5 FDBDHN COc1ccc(-n2c(C)nnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100422 941325453 /nfs/dbraw/zinc/32/54/53/941325453.db2.gz SBNPIORZPZLKJC-JTQLQIEISA-N 0 3 366.399 1.885 20 5 FDBDHN COc1cccc(-n2c(C)nnc2SCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102376 941325786 /nfs/dbraw/zinc/32/57/86/941325786.db2.gz QEVDHXCPHCRAPZ-SNVBAGLBSA-N 0 3 366.399 1.885 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106674 941333898 /nfs/dbraw/zinc/33/38/98/941333898.db2.gz FUBCYMVZYKBPKU-NSHDSACASA-N 0 3 374.415 1.548 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000813113032 941335950 /nfs/dbraw/zinc/33/59/50/941335950.db2.gz WPEQVAOBSBBMDG-LLVKDONJSA-N 0 3 372.399 1.302 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000813113878 941336195 /nfs/dbraw/zinc/33/61/95/941336195.db2.gz KFAGAJJJVVLBKD-STQMWFEESA-N 0 3 370.427 1.929 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)[N+](=O)[O-] ZINC000813115351 941336738 /nfs/dbraw/zinc/33/67/38/941336738.db2.gz PWBBJUQKQZLYRN-LLVKDONJSA-N 0 3 369.333 1.913 20 5 FDBDHN C[N@H+](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000814999735 941756593 /nfs/dbraw/zinc/75/65/93/941756593.db2.gz MDRGXWCYMWYQOF-UHFFFAOYSA-N 0 3 351.787 1.760 20 5 FDBDHN C[N@@H+](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000814999735 941756596 /nfs/dbraw/zinc/75/65/96/941756596.db2.gz MDRGXWCYMWYQOF-UHFFFAOYSA-N 0 3 351.787 1.760 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818012915 943148153 /nfs/dbraw/zinc/14/81/53/943148153.db2.gz YLXKNCQHMDXXHU-QMMMGPOBSA-N 0 3 362.155 1.215 20 5 FDBDHN CS(=O)(=O)Nc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818946093 943357451 /nfs/dbraw/zinc/35/74/51/943357451.db2.gz XXIQTYQXAIRFET-MRXNPFEDSA-N 0 3 365.411 1.790 20 5 FDBDHN CS(=O)(=O)NC1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000818946402 943357466 /nfs/dbraw/zinc/35/74/66/943357466.db2.gz MDTDYVDPRFLIME-OAHLLOKOSA-N 0 3 371.459 1.470 20 5 FDBDHN CC1(C)Oc2ccsc2[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1O ZINC000821305580 944405319 /nfs/dbraw/zinc/40/53/19/944405319.db2.gz ITGOIHSVCJQCNS-VHRBIJSZSA-N 0 3 368.415 1.077 20 5 FDBDHN CN(C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000823980061 946136781 /nfs/dbraw/zinc/13/67/81/946136781.db2.gz VXTWGWLLVIHVPV-QZTJIDSGSA-N 0 3 357.410 1.917 20 5 FDBDHN CS(=O)(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000824080260 946210262 /nfs/dbraw/zinc/21/02/62/946210262.db2.gz AMERMVQDTCIHLN-INIZCTEOSA-N 0 3 350.396 1.822 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O ZINC000844484866 948099342 /nfs/dbraw/zinc/09/93/42/948099342.db2.gz JQTVRPSZXORQCF-UHFFFAOYSA-N 0 3 369.809 1.486 20 5 FDBDHN Cc1cc(Cl)c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000844762969 948371673 /nfs/dbraw/zinc/37/16/73/948371673.db2.gz RJYABVVKEFXQPE-UHFFFAOYSA-N 0 3 368.821 1.403 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148882339 952823475 /nfs/dbraw/zinc/82/34/75/952823475.db2.gz YHQGKVGYNGVFAE-JTQLQIEISA-N 0 3 371.825 1.687 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCc2c[n-][nH]c2=O)c1F 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FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC1)COCCO2 ZINC000880546469 979290167 /nfs/dbraw/zinc/29/01/67/979290167.db2.gz VAZSBHAAQWSDEU-AWEZNQCLSA-N 0 3 352.387 1.216 20 5 FDBDHN COCCN1[C@H](C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000129699658 980685759 /nfs/dbraw/zinc/68/57/59/980685759.db2.gz VVTIRELFUITFCB-UXLLHSPISA-N 0 3 367.446 1.376 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882770078 981665433 /nfs/dbraw/zinc/66/54/33/981665433.db2.gz XJDLGMAUBYMSCN-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN CS(=O)(=O)c1cc(C(=O)OCCCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000800150116 982767934 /nfs/dbraw/zinc/76/79/34/982767934.db2.gz BVEPHACUQNTATI-UHFFFAOYSA-N 0 3 356.400 1.641 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000885863399 985717883 /nfs/dbraw/zinc/71/78/83/985717883.db2.gz QGZFUBHHZQZSKN-OAHLLOKOSA-N 0 3 363.414 1.733 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc([N+](=O)[O-])c1C ZINC000885883393 985747583 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374.441 1.576 20 5 FDBDHN C[C@H]1CN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000363042740 988862658 /nfs/dbraw/zinc/86/26/58/988862658.db2.gz ORPHZCWAFDWBML-KBPBESRZSA-N 0 3 365.434 1.139 20 5 FDBDHN COc1ccc(OCCN2CCN([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000363505813 989252739 /nfs/dbraw/zinc/25/27/39/989252739.db2.gz BCCKMMCNPBBOJM-WBVHZDCISA-N 0 3 365.430 1.513 20 5 FDBDHN Cc1cccnc1NC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370082573 989437564 /nfs/dbraw/zinc/43/75/64/989437564.db2.gz LFSJAZRJVNRRON-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@H]1N1CCN(C)CC1 ZINC000371361212 990383051 /nfs/dbraw/zinc/38/30/51/990383051.db2.gz QVAJKDNFORNLID-DZGCQCFKSA-N 0 3 361.446 1.275 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874835900 990558774 /nfs/dbraw/zinc/55/87/74/990558774.db2.gz BTHVRIHBVTZVDW-BFHYXJOUSA-N 0 3 364.450 1.522 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCN(Cc2cccnc2)CC1 ZINC000372027329 990898501 /nfs/dbraw/zinc/89/85/01/990898501.db2.gz WOTAENKWSMIZCG-UHFFFAOYSA-N 0 3 358.402 1.215 20 5 FDBDHN CC1(C)NC(=O)N(CCCN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372328695 991016807 /nfs/dbraw/zinc/01/68/07/991016807.db2.gz CBVJAUBIJXFQSX-GFCCVEGCSA-N 0 3 364.406 1.149 20 5 FDBDHN O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373195126 991994912 /nfs/dbraw/zinc/99/49/12/991994912.db2.gz ZARSLNVLCKZBIP-UHFFFAOYSA-N 0 3 360.374 1.630 20 5 FDBDHN COCCN1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411621007 992523176 /nfs/dbraw/zinc/52/31/76/992523176.db2.gz NJFKSEDONFDVQI-UHFFFAOYSA-N 0 3 369.393 1.512 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000876473512 992640841 /nfs/dbraw/zinc/64/08/41/992640841.db2.gz QGFGBWYNAHVSLH-SFHVURJKSA-N 0 3 365.430 1.251 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000876475019 992645706 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ZINC001212968728 1008977651 /nfs/dbraw/zinc/97/76/51/1008977651.db2.gz RUNJIGOEIDKEMC-UHFFFAOYSA-N 0 3 354.326 1.756 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000236616395 178276999 /nfs/dbraw/zinc/27/69/99/178276999.db2.gz FBEAWWGOVOXPPU-SECBINFHSA-N 0 3 364.221 1.388 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512571026 538976838 /nfs/dbraw/zinc/97/68/38/538976838.db2.gz YYCIMHVHZNOCRF-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000516964887 539337164 /nfs/dbraw/zinc/33/71/64/539337164.db2.gz BGSRPPVFYVLZCQ-CQSZACIVSA-N 0 3 367.471 1.975 20 5 FDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000522043035 539536414 /nfs/dbraw/zinc/53/64/14/539536414.db2.gz FOSDDYVAMPAUJS-MRXNPFEDSA-N 0 3 360.414 1.267 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264223430 179053562 /nfs/dbraw/zinc/05/35/62/179053562.db2.gz WKSFGIPZAWXXDX-UHFFFAOYSA-N 0 3 359.448 1.574 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000264291874 179070509 /nfs/dbraw/zinc/07/05/09/179070509.db2.gz UTTRDTJFPPXZEL-UHFFFAOYSA-N 0 3 372.809 1.223 20 5 FDBDHN Cc1n[nH]c(C(=O)NCCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000264277934 179067770 /nfs/dbraw/zinc/06/77/70/179067770.db2.gz SWEYUAJBGJCSLT-UHFFFAOYSA-N 0 3 361.402 1.539 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264620156 179150009 /nfs/dbraw/zinc/15/00/09/179150009.db2.gz KVVJIEYWEPGZRS-UHFFFAOYSA-N 0 3 350.419 1.070 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000264956347 179251151 /nfs/dbraw/zinc/25/11/51/179251151.db2.gz WQOPZEBUJAGWSX-UHFFFAOYSA-N 0 3 350.375 1.004 20 5 FDBDHN COC(=O)C[C@H]1CCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000269619921 180342281 /nfs/dbraw/zinc/34/22/81/180342281.db2.gz DQXSNTXDIWZQRY-GFCCVEGCSA-N 0 3 365.386 1.960 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274433944 181092680 /nfs/dbraw/zinc/09/26/80/181092680.db2.gz BVMOTOQGKPDWIL-LLVKDONJSA-N 0 3 356.373 1.629 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274455533 181097856 /nfs/dbraw/zinc/09/78/56/181097856.db2.gz IHVPIKBSHSWALH-OAHLLOKOSA-N 0 3 373.457 1.692 20 5 FDBDHN O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934264439 781935798 /nfs/dbraw/zinc/93/57/98/781935798.db2.gz OFQCSXAJJCDQFK-MSOLQXFVSA-N 0 3 374.441 1.015 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@H]1CS(=O)(=O)CCO1 ZINC000537951150 540793280 /nfs/dbraw/zinc/79/32/80/540793280.db2.gz AFJBDFAFWKUSIY-BPUTZDHNSA-N 0 3 368.455 1.709 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025295 541138476 /nfs/dbraw/zinc/13/84/76/541138476.db2.gz XZMIYWHNVLHBHR-KGLIPLIRSA-N 0 3 374.319 1.494 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000541815691 541271773 /nfs/dbraw/zinc/27/17/73/541271773.db2.gz MGBIWJLFKQPHNG-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000543495147 541599811 /nfs/dbraw/zinc/59/98/11/541599811.db2.gz VNSAVQQMGPEORN-ABAIWWIYSA-N 0 3 364.402 1.182 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000543673058 541631718 /nfs/dbraw/zinc/63/17/18/541631718.db2.gz OZZZSQQFRUXNIS-NSHDSACASA-N 0 3 359.452 1.162 20 5 FDBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCOC1 ZINC000544471706 541772565 /nfs/dbraw/zinc/77/25/65/541772565.db2.gz AMVONNXQQCXRRH-GHMZBOCLSA-N 0 3 351.359 1.667 20 5 FDBDHN COCCCN1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000283704142 182254791 /nfs/dbraw/zinc/25/47/91/182254791.db2.gz CVTCGXCNWXYHEI-UHFFFAOYSA-N 0 3 366.418 1.998 20 5 FDBDHN Cc1c(NC(=O)CCN(C)[C@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295319503 184059184 /nfs/dbraw/zinc/05/91/84/184059184.db2.gz GQHQVOLVMHNUIC-IRXDYDNUSA-N 0 3 362.430 1.637 20 5 FDBDHN Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1F ZINC000295330783 184060467 /nfs/dbraw/zinc/06/04/67/184060467.db2.gz MVRVCIWOZXLCEF-YOGCLGLASA-N 0 3 357.407 1.946 20 5 FDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295378409 184064691 /nfs/dbraw/zinc/06/46/91/184064691.db2.gz PWXVGOLXXPGTNB-SSDOTTSWSA-N 0 3 367.305 1.521 20 5 FDBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000296068003 184127261 /nfs/dbraw/zinc/12/72/61/184127261.db2.gz OLFKZINEMPTKBY-GFCCVEGCSA-N 0 3 364.402 1.678 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000296097555 184130397 /nfs/dbraw/zinc/13/03/97/184130397.db2.gz UAHNSWIIDNKLNC-GFCCVEGCSA-N 0 3 366.393 1.971 20 5 FDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296831196 184205465 /nfs/dbraw/zinc/20/54/65/184205465.db2.gz SFOQOJSMLREHPG-OAHLLOKOSA-N 0 3 353.419 1.955 20 5 FDBDHN COC(=O)Cc1ccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000297407796 184267483 /nfs/dbraw/zinc/26/74/83/184267483.db2.gz GGFAGRQUFAVYTD-GJZGRUSLSA-N 0 3 353.444 1.792 20 5 FDBDHN C[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297734130 184318927 /nfs/dbraw/zinc/31/89/27/184318927.db2.gz ZQMBWNVUBWFZQV-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000549039104 542825200 /nfs/dbraw/zinc/82/52/00/542825200.db2.gz ILGSCBZVKOTQKB-AWEZNQCLSA-N 0 3 365.430 1.816 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000173276273 258294987 /nfs/dbraw/zinc/29/49/87/258294987.db2.gz WUFFTNNAYRJTNW-SFHVURJKSA-N 0 3 360.458 1.766 20 5 FDBDHN CN1CCC(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000550363937 543081078 /nfs/dbraw/zinc/08/10/78/543081078.db2.gz ZPWSJGSEOXTNFB-UHFFFAOYSA-N 0 3 360.414 1.296 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000550732477 543160549 /nfs/dbraw/zinc/16/05/49/543160549.db2.gz SXGOHULPGNBXHY-UHFFFAOYSA-N 0 3 370.475 1.814 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000072629384 172045635 /nfs/dbraw/zinc/04/56/35/172045635.db2.gz GEIKIQQUFXUCEL-HNNXBMFYSA-N 0 3 370.413 1.908 20 5 FDBDHN Cc1c(C(=O)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072753552 172049236 /nfs/dbraw/zinc/04/92/36/172049236.db2.gz WOZLDYRMNQYPLQ-UHFFFAOYSA-N 0 3 365.390 1.179 20 5 FDBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CN1CCN(C)CC1 ZINC000074137825 172073704 /nfs/dbraw/zinc/07/37/04/172073704.db2.gz HKMSDASNLUWCAX-LBPRGKRZSA-N 0 3 360.418 1.084 20 5 FDBDHN Cn1nc2c(cc1=O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000078623369 172151290 /nfs/dbraw/zinc/15/12/90/172151290.db2.gz NACWQZIALMUNEX-UHFFFAOYSA-N 0 3 357.370 1.075 20 5 FDBDHN Cc1csc(C2(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)n1 ZINC000081595570 172193209 /nfs/dbraw/zinc/19/32/09/172193209.db2.gz ULZDSUIISTWRET-CYBMUJFWSA-N 0 3 351.432 1.976 20 5 FDBDHN CC[C@@H](CO)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093739721 172319256 /nfs/dbraw/zinc/31/92/56/172319256.db2.gz SFJFNBDHTUOIRT-KRWDZBQOSA-N 0 3 373.457 1.884 20 5 FDBDHN Cn1cc(C(=O)NCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000104091434 172375151 /nfs/dbraw/zinc/37/51/51/172375151.db2.gz ZQKYSGNVHWSQAV-UHFFFAOYSA-N 0 3 357.414 1.970 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130224278 173164282 /nfs/dbraw/zinc/16/42/82/173164282.db2.gz XGKSRYZSYONNOE-MRXNPFEDSA-N 0 3 361.358 1.725 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000131395502 173201015 /nfs/dbraw/zinc/20/10/15/173201015.db2.gz KUUPXFAKYKXBKW-HNNXBMFYSA-N 0 3 373.413 1.650 20 5 FDBDHN C[C@H]1CN(CCC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000133778144 173312829 /nfs/dbraw/zinc/31/28/29/173312829.db2.gz SBLSECFFURNXGE-STQMWFEESA-N 0 3 365.434 1.669 20 5 FDBDHN CSc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000136142254 173357703 /nfs/dbraw/zinc/35/77/03/173357703.db2.gz JOPTWJDWVZQDRK-UHFFFAOYSA-N 0 3 353.444 1.893 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000137020486 173367365 /nfs/dbraw/zinc/36/73/65/173367365.db2.gz YAJMWRBTCGYTRZ-GOSISDBHSA-N 0 3 360.414 1.697 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171088504 173858572 /nfs/dbraw/zinc/85/85/72/173858572.db2.gz WMBLVEKEYLRFIM-NVXWUHKLSA-N 0 3 374.441 1.718 20 5 FDBDHN COCCN1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173640035 258305813 /nfs/dbraw/zinc/30/58/13/258305813.db2.gz JHVVXMXBLCJZSM-CYBMUJFWSA-N 0 3 350.419 1.622 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000173776819 258310410 /nfs/dbraw/zinc/31/04/10/258310410.db2.gz PCLJECCMNYBLBS-ZFWWWQNUSA-N 0 3 371.401 1.075 20 5 FDBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCS(=O)(=O)CC1 ZINC000280730353 258618002 /nfs/dbraw/zinc/61/80/02/258618002.db2.gz YVVJFEXMICNFAC-JTQLQIEISA-N 0 3 352.416 1.774 20 5 FDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000553960507 543725126 /nfs/dbraw/zinc/72/51/26/543725126.db2.gz BHGSXSMOPZLECF-HOTGVXAUSA-N 0 3 365.430 1.573 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)NCCN2CCCCCC2)c1 ZINC000554229287 543764545 /nfs/dbraw/zinc/76/45/45/543764545.db2.gz GZKOJGDMTXYAJC-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(O)CCS(=O)(=O)CC1)CCC2 ZINC000556606419 544162217 /nfs/dbraw/zinc/16/22/17/544162217.db2.gz XMAJALPAMBYGOT-HNNXBMFYSA-N 0 3 354.428 1.502 20 5 FDBDHN COc1ccc(CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000557624438 544320438 /nfs/dbraw/zinc/32/04/38/544320438.db2.gz RLLNGXNLIKIJMR-VNHYZAJKSA-N 0 3 353.419 1.163 20 5 FDBDHN CN(CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000558748174 544524035 /nfs/dbraw/zinc/52/40/35/544524035.db2.gz VNNLIDOMJHVFRI-UHFFFAOYSA-N 0 3 372.429 1.208 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299503343 259002245 /nfs/dbraw/zinc/00/22/45/259002245.db2.gz BRTDPHDQABWYFW-JQWIXIFHSA-N 0 3 368.821 1.985 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301298893 259024979 /nfs/dbraw/zinc/02/49/79/259024979.db2.gz ZJDWECIBXCCRCB-UHFFFAOYSA-N 0 3 353.810 1.388 20 5 FDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000301921434 259036288 /nfs/dbraw/zinc/03/62/88/259036288.db2.gz FVRWRUVORBAHIT-CQSZACIVSA-N 0 3 366.393 1.661 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000325406949 259049342 /nfs/dbraw/zinc/04/93/42/259049342.db2.gz JAXMLUYZIMXYHG-GFCCVEGCSA-N 0 3 357.407 1.901 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000332605806 259282076 /nfs/dbraw/zinc/28/20/76/259282076.db2.gz APSVWJIMPPZNHH-YPMHNXCESA-N 0 3 358.402 1.696 20 5 FDBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000367903698 260107771 /nfs/dbraw/zinc/10/77/71/260107771.db2.gz MFYWHXDNJGJQJQ-UHFFFAOYSA-N 0 3 356.386 1.939 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C(=N)NO ZINC000368523192 260195573 /nfs/dbraw/zinc/19/55/73/260195573.db2.gz DERVRWPNLFDSEJ-LBPRGKRZSA-N 0 3 351.363 1.352 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368616704 260210146 /nfs/dbraw/zinc/21/01/46/260210146.db2.gz FAKLUXKVOGISHT-JKSUJKDBSA-N 0 3 362.430 1.642 20 5 FDBDHN O=C(CCN1CCC[C@@H](N2CCNC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368803234 260238573 /nfs/dbraw/zinc/23/85/73/260238573.db2.gz BTCRKBKAROAJQZ-OAHLLOKOSA-N 0 3 361.402 1.413 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000368891915 260255876 /nfs/dbraw/zinc/25/58/76/260255876.db2.gz KSVKWDRQRPBKRJ-NSHDSACASA-N 0 3 352.416 1.211 20 5 FDBDHN O=C(CN[C@H]1CCCC[C@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000368948228 260265136 /nfs/dbraw/zinc/26/51/36/260265136.db2.gz BLRBQAUKFTZFHO-GOEBONIOSA-N 0 3 362.430 1.766 20 5 FDBDHN Cc1nc2c(s1)CCC[C@@H]2CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369535399 260386233 /nfs/dbraw/zinc/38/62/33/260386233.db2.gz ALDRYRFRJNOCLN-OCCSQVGLSA-N 0 3 365.459 1.969 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370424516 260544454 /nfs/dbraw/zinc/54/44/54/260544454.db2.gz OUBXCEVBUSYNAV-HNNXBMFYSA-N 0 3 361.446 1.539 20 5 FDBDHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374313749 261108527 /nfs/dbraw/zinc/10/85/27/261108527.db2.gz VAFHCODXYODTJF-QWHCGFSZSA-N 0 3 364.475 1.766 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374556203 261153139 /nfs/dbraw/zinc/15/31/39/261153139.db2.gz JWGATFZMHOWXRN-QZTJIDSGSA-N 0 3 360.414 1.178 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374560513 261153518 /nfs/dbraw/zinc/15/35/18/261153518.db2.gz JSCGRERJLXFEEY-LJQANCHMSA-N 0 3 357.410 1.783 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@](CO)(c2ccccc2)C1 ZINC000374560511 261153698 /nfs/dbraw/zinc/15/36/98/261153698.db2.gz JSCGRERJLXFEEY-IBGZPJMESA-N 0 3 357.410 1.783 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378370816 262013845 /nfs/dbraw/zinc/01/38/45/262013845.db2.gz NRSBTHDXJOTNEL-CYBMUJFWSA-N 0 3 364.421 1.974 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000408321737 262093907 /nfs/dbraw/zinc/09/39/07/262093907.db2.gz QEJQBODOSPOVOA-GFCCVEGCSA-N 0 3 354.432 1.130 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1N(C)C ZINC000271152824 674316263 /nfs/dbraw/zinc/31/62/63/674316263.db2.gz QMYSZZUEHJJLBG-SWLSCSKDSA-N 0 3 367.427 1.484 20 5 FDBDHN COC(=O)c1cc(C(=O)Nc2ccn(CCN(C)C)n2)cc([N+](=O)[O-])c1 ZINC000523069856 490436839 /nfs/dbraw/zinc/43/68/39/490436839.db2.gz DAQWVSXLDKAWGO-UHFFFAOYSA-N 0 3 361.358 1.392 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000008097908 518454345 /nfs/dbraw/zinc/45/43/45/518454345.db2.gz YBCLPSAOENFIJW-UHFFFAOYSA-N 0 3 370.365 1.739 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Br)s2)c1 ZINC000038018692 519632990 /nfs/dbraw/zinc/63/29/90/519632990.db2.gz IFUPSITXRJCJPM-SECBINFHSA-N 0 3 361.221 1.766 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Br)s2)c1 ZINC000038018691 519633207 /nfs/dbraw/zinc/63/32/07/519633207.db2.gz IFUPSITXRJCJPM-VIFPVBQESA-N 0 3 361.221 1.766 20 5 FDBDHN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H](C)N(C)C ZINC000056969311 521953518 /nfs/dbraw/zinc/95/35/18/521953518.db2.gz DUVMCFPZCYLAGC-QWRGUYRKSA-N 0 3 372.447 1.106 20 5 FDBDHN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CCN(C2CC2)CC1 ZINC000045101640 522036186 /nfs/dbraw/zinc/03/61/86/522036186.db2.gz KNXMMLHMXZCMGB-UHFFFAOYSA-N 0 3 371.397 1.048 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000072782116 522379072 /nfs/dbraw/zinc/37/90/72/522379072.db2.gz IIWYAXATNCGBEE-UHFFFAOYSA-N 0 3 361.446 1.536 20 5 FDBDHN CCCCN(C)C(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642410 522950828 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/nfs/dbraw/zinc/59/85/37/524598537.db2.gz ZMPMXEYNJIJQOX-FSNWXROXSA-N 0 3 360.458 1.998 20 5 FDBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151606366 524626445 /nfs/dbraw/zinc/62/64/45/524626445.db2.gz AXTXHOVAZPQTJS-LBPRGKRZSA-N 0 3 357.407 1.840 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000123259303 524714430 /nfs/dbraw/zinc/71/44/30/524714430.db2.gz WDFFGIQQPVWBEL-UHFFFAOYSA-N 0 3 371.441 1.900 20 5 FDBDHN N[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000152094007 524777143 /nfs/dbraw/zinc/77/71/43/524777143.db2.gz PYNHIYOMMYMFTR-AWEZNQCLSA-N 0 3 357.366 1.725 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000160073633 524802790 /nfs/dbraw/zinc/80/27/90/524802790.db2.gz UWVHKCLBEKADML-LBPRGKRZSA-N 0 3 352.439 1.026 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115586371 525029869 /nfs/dbraw/zinc/02/98/69/525029869.db2.gz HVOCQXYAGZQCDN-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000115716893 525051090 /nfs/dbraw/zinc/05/10/90/525051090.db2.gz VMLSWUOALSLVKQ-GFCCVEGCSA-N 0 3 358.398 1.850 20 5 FDBDHN CN1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997005 525166303 /nfs/dbraw/zinc/16/63/03/525166303.db2.gz OZHDZFDMAUKHSI-UHFFFAOYSA-N 0 3 374.438 1.040 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153351062 525185366 /nfs/dbraw/zinc/18/53/66/525185366.db2.gz AKWFNIMDVWTYAD-OAHLLOKOSA-N 0 3 359.810 1.446 20 5 FDBDHN CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000125863894 525244778 /nfs/dbraw/zinc/24/47/78/525244778.db2.gz IPBYYPDRDBIWHJ-INIZCTEOSA-N 0 3 358.398 1.046 20 5 FDBDHN CC(=O)NC1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000117337262 525323411 /nfs/dbraw/zinc/32/34/11/525323411.db2.gz WNCKUKBZCOLXOX-UHFFFAOYSA-N 0 3 362.386 1.493 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153831944 525338579 /nfs/dbraw/zinc/33/85/79/525338579.db2.gz OZBZTECIDLETMX-UHFFFAOYSA-N 0 3 371.441 1.853 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154026000 525396541 /nfs/dbraw/zinc/39/65/41/525396541.db2.gz KQDCJGJZTLMGRF-CQSZACIVSA-N 0 3 355.398 1.995 20 5 FDBDHN CCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106172710 525650445 /nfs/dbraw/zinc/65/04/45/525650445.db2.gz LBVBBIQUYIZLMW-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119421063 525740382 /nfs/dbraw/zinc/74/03/82/525740382.db2.gz CEDKUHOKZALEHA-MFKMUULPSA-N 0 3 368.821 1.985 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181286029 525834559 /nfs/dbraw/zinc/83/45/59/525834559.db2.gz PSCQLCQOIOKIRL-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000171122896 525857313 /nfs/dbraw/zinc/85/73/13/525857313.db2.gz SVFVLENTPMSAMY-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN COCCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171125280 525860413 /nfs/dbraw/zinc/86/04/13/525860413.db2.gz VBZAHJZZNOKJKS-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN Cc1nn(C)c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000119842197 525885179 /nfs/dbraw/zinc/88/51/79/525885179.db2.gz IVSABGRPFWIUJI-AWEZNQCLSA-N 0 3 365.434 1.354 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181722937 525904871 /nfs/dbraw/zinc/90/48/71/525904871.db2.gz MQMUGYMMWCDNCR-ZDUSSCGKSA-N 0 3 368.409 1.451 20 5 FDBDHN CCO[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000181971366 526003400 /nfs/dbraw/zinc/00/34/00/526003400.db2.gz WWMMGLSJONWAQO-HUUCEWRRSA-N 0 3 371.459 1.666 20 5 FDBDHN CN(C(=O)CN[C@@H](CC(N)=O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000182103478 526057009 /nfs/dbraw/zinc/05/70/09/526057009.db2.gz ZDYKWDWEWSVIOJ-INIZCTEOSA-N 0 3 362.430 1.972 20 5 FDBDHN CC1CCN(C[C@H](O)CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000109129832 526077059 /nfs/dbraw/zinc/07/70/59/526077059.db2.gz VBHNPAKYHPAFNC-CQSZACIVSA-N 0 3 362.430 1.984 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000120514525 526093104 /nfs/dbraw/zinc/09/31/04/526093104.db2.gz VABDKMSWLVBUTM-JSGCOSHPSA-N 0 3 358.402 1.588 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000109688860 526165383 /nfs/dbraw/zinc/16/53/83/526165383.db2.gz MDYYJWROMIODAI-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000109688860 526165392 /nfs/dbraw/zinc/16/53/92/526165392.db2.gz MDYYJWROMIODAI-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN Cc1c(CC(=O)NC(C)(C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184222444 536118699 /nfs/dbraw/zinc/11/86/99/536118699.db2.gz OSQQHQZHXPLRON-UHFFFAOYSA-N 0 3 362.474 1.978 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184328071 536133767 /nfs/dbraw/zinc/13/37/67/536133767.db2.gz FRKCLILAKYXXLO-HNNXBMFYSA-N 0 3 364.446 1.506 20 5 FDBDHN Cc1cc(Br)c(NC(=O)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000184640128 536171353 /nfs/dbraw/zinc/17/13/53/536171353.db2.gz NLSXTMPMGKAABE-UHFFFAOYSA-N 0 3 373.207 1.282 20 5 FDBDHN C[C@@H](C(=O)N1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184795049 536184270 /nfs/dbraw/zinc/18/42/70/536184270.db2.gz VGPZYSPHIVDCAY-CYBMUJFWSA-N 0 3 352.410 1.543 20 5 FDBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000185030131 536196283 /nfs/dbraw/zinc/19/62/83/536196283.db2.gz YGVATYKDDWUXOV-ZIAGYGMSSA-N 0 3 366.437 1.837 20 5 FDBDHN CCCN(CC)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187286532 536260296 /nfs/dbraw/zinc/26/02/96/536260296.db2.gz NHGUJHYZOSJJNX-UHFFFAOYSA-N 0 3 363.411 1.753 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000246639852 536994578 /nfs/dbraw/zinc/99/45/78/536994578.db2.gz DHKQLJWAUBDNOS-XJKSGUPXSA-N 0 3 360.414 1.866 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189430295 537045441 /nfs/dbraw/zinc/04/54/41/537045441.db2.gz QWPCVUALWHVBIV-GJZGRUSLSA-N 0 3 367.446 1.112 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000248443655 537183016 /nfs/dbraw/zinc/18/30/16/537183016.db2.gz FRQOMLLNQJKBNL-HOTGVXAUSA-N 0 3 365.430 1.131 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278414243 537320249 /nfs/dbraw/zinc/32/02/49/537320249.db2.gz FQFWVFMUZJKODC-LBPRGKRZSA-N 0 3 353.423 1.672 20 5 FDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000293104646 537344737 /nfs/dbraw/zinc/34/47/37/537344737.db2.gz UMYRLFLFUBICQJ-UHFFFAOYSA-N 0 3 366.237 1.587 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1N(C)C ZINC000270535250 537351854 /nfs/dbraw/zinc/35/18/54/537351854.db2.gz WGEDWNQHELESAT-HUUCEWRRSA-N 0 3 352.460 1.778 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000293244538 537400328 /nfs/dbraw/zinc/40/03/28/537400328.db2.gz ZBXWWACLNNLFJF-HOCLYGCPSA-N 0 3 366.805 1.959 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)C[S@](C)=O ZINC000299019400 537408814 /nfs/dbraw/zinc/40/88/14/537408814.db2.gz RAEGMARMOHGCOF-JNDILOIQSA-N 0 3 357.432 1.631 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000273930032 537515726 /nfs/dbraw/zinc/51/57/26/537515726.db2.gz CEWRZWHINISASI-NWDGAFQWSA-N 0 3 350.375 1.176 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291826330 537681413 /nfs/dbraw/zinc/68/14/13/537681413.db2.gz FLLIYZCMEXTJJI-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN COCCNC(=O)C1(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414199857 537771049 /nfs/dbraw/zinc/77/10/49/537771049.db2.gz CWBMTCRQSZQADG-GFCCVEGCSA-N 0 3 364.402 1.197 20 5 FDBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CN1 ZINC000371313418 537814693 /nfs/dbraw/zinc/81/46/93/537814693.db2.gz LHGJHHBZWWJQMG-MLGOLLRUSA-N 0 3 361.398 1.952 20 5 FDBDHN CN1CCC[C@H](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000416559953 537885232 /nfs/dbraw/zinc/88/52/32/537885232.db2.gz RHYWJIMCNBJRET-OAHLLOKOSA-N 0 3 355.460 1.789 20 5 FDBDHN COC[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411913202 537898080 /nfs/dbraw/zinc/89/80/80/537898080.db2.gz RLTBYANKSLFHGL-STQMWFEESA-N 0 3 353.375 1.014 20 5 FDBDHN CC(C)(CN1CCOCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000411996229 537930447 /nfs/dbraw/zinc/93/04/47/537930447.db2.gz BFLLPIZMDWEWLX-UHFFFAOYSA-N 0 3 371.459 1.069 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000444161132 538123283 /nfs/dbraw/zinc/12/32/83/538123283.db2.gz YREIGRIISSKYHI-PBHICJAKSA-N 0 3 351.403 1.752 20 5 FDBDHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423629437 538125018 /nfs/dbraw/zinc/12/50/18/538125018.db2.gz XHOWSVQUTRUSOJ-DOTOQJQBSA-N 0 3 374.441 1.641 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420017964 538189322 /nfs/dbraw/zinc/18/93/22/538189322.db2.gz PFXLXJRFMWJYQF-YJBOKZPZSA-N 0 3 351.447 1.982 20 5 FDBDHN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CNCCO3)cc2)c(C)c1[N+](=O)[O-] ZINC000423989579 538204774 /nfs/dbraw/zinc/20/47/74/538204774.db2.gz IKWVZSLHNDTGBM-MRXNPFEDSA-N 0 3 373.413 1.175 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452061766 538359029 /nfs/dbraw/zinc/35/90/29/538359029.db2.gz PZRFSVVJHAMXOB-ZFWWWQNUSA-N 0 3 366.443 1.707 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425050615 538371939 /nfs/dbraw/zinc/37/19/39/538371939.db2.gz RMFPKRXZQKDCJL-DUVNUKRYSA-N 0 3 360.414 1.266 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458196293 538576917 /nfs/dbraw/zinc/57/69/17/538576917.db2.gz DLLKKFHQZNMIBM-UHFFFAOYSA-N 0 3 351.432 1.752 20 5 FDBDHN CC[C@H]1CN(CCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000487210323 538622954 /nfs/dbraw/zinc/62/29/54/538622954.db2.gz MNFCZQFSFJTOFE-AWEZNQCLSA-N 0 3 353.419 1.812 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1CCCO ZINC000458587056 538623175 /nfs/dbraw/zinc/62/31/75/538623175.db2.gz PSUVJMBIDQZDPQ-INIZCTEOSA-N 0 3 350.419 1.283 20 5 FDBDHN COc1cnccc1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000483191609 538681510 /nfs/dbraw/zinc/68/15/10/538681510.db2.gz FHRMNFLSGCRLJE-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488684177 538762304 /nfs/dbraw/zinc/76/23/04/538762304.db2.gz KNCZTIYPQLSTPI-JTQLQIEISA-N 0 3 365.419 1.262 20 5 FDBDHN CN(C)[C@]1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCSC1 ZINC000479490273 538809486 /nfs/dbraw/zinc/80/94/86/538809486.db2.gz MKIRQXQSQNXEPX-ZDUSSCGKSA-N 0 3 360.461 1.091 20 5 FDBDHN Cc1ccc(C(=O)NCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562994024 546346093 /nfs/dbraw/zinc/34/60/93/546346093.db2.gz UBKCNLFLOUQZLR-MRXNPFEDSA-N 0 3 373.409 1.663 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000564454071 546919785 /nfs/dbraw/zinc/91/97/85/546919785.db2.gz MFFRGACHJROLEV-HNNXBMFYSA-N 0 3 360.414 1.792 20 5 FDBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000564966687 547131233 /nfs/dbraw/zinc/13/12/33/547131233.db2.gz LBANFSRGSMSYRR-QMMMGPOBSA-N 0 3 366.237 1.763 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)Cc1ccc(F)cc1 ZINC000564977346 547138489 /nfs/dbraw/zinc/13/84/89/547138489.db2.gz ZVPKTSTYLAWFCH-HOTGVXAUSA-N 0 3 364.373 1.667 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCO1 ZINC000565576426 547402949 /nfs/dbraw/zinc/40/29/49/547402949.db2.gz VQXUQIRTNKBMBE-LBPRGKRZSA-N 0 3 365.386 1.554 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566489251 547778558 /nfs/dbraw/zinc/77/85/58/547778558.db2.gz JRTQWEPVOIJFHA-ONGXEEELSA-N 0 3 358.320 1.670 20 5 FDBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571046894 549506506 /nfs/dbraw/zinc/50/65/06/549506506.db2.gz NPXRZHVBYDOXON-WCBMZHEXSA-N 0 3 367.349 1.890 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000571846183 549779250 /nfs/dbraw/zinc/77/92/50/549779250.db2.gz PJIMFRIFNRPUKA-LRDDRELGSA-N 0 3 362.430 1.894 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(N3CCCCC3)c2)c1 ZINC000572834766 550005011 /nfs/dbraw/zinc/00/50/11/550005011.db2.gz ZVECSFUDKHDFAK-INIZCTEOSA-N 0 3 360.418 1.327 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572986379 550038615 /nfs/dbraw/zinc/03/86/15/550038615.db2.gz GTPZENADKLTEBM-DGCLKSJQSA-N 0 3 364.427 1.091 20 5 FDBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000573249189 550096786 /nfs/dbraw/zinc/09/67/86/550096786.db2.gz YLYAXCDRJFMFDV-KWBADKCTSA-N 0 3 352.309 1.626 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000573467165 550145108 /nfs/dbraw/zinc/14/51/08/550145108.db2.gz QZJFFWIFBIJHPX-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000574445355 550315012 /nfs/dbraw/zinc/31/50/12/550315012.db2.gz ZJMLCFYNSSPFTB-NSHDSACASA-N 0 3 360.292 1.683 20 5 FDBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CCN2C1=O ZINC000574652250 550348657 /nfs/dbraw/zinc/34/86/57/550348657.db2.gz VSEBLGHAGGHTAW-UONOGXRCSA-N 0 3 353.382 1.405 20 5 FDBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574999925 550406877 /nfs/dbraw/zinc/40/68/77/550406877.db2.gz OYWBQCCNOTZXDK-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000575069033 550420742 /nfs/dbraw/zinc/42/07/42/550420742.db2.gz LPBNVLKVSQNDOV-ZDUSSCGKSA-N 0 3 364.402 1.485 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000576636255 550570604 /nfs/dbraw/zinc/57/06/04/550570604.db2.gz AWVAJAHNMGDGSB-HAQNSBGRSA-N 0 3 357.432 1.647 20 5 FDBDHN CC(=O)N1CCC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000576698117 550576459 /nfs/dbraw/zinc/57/64/59/550576459.db2.gz UPZXTCKFRPOWBL-CQSZACIVSA-N 0 3 369.443 1.217 20 5 FDBDHN Cc1cc(C)n(-c2ccccc2CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000577502597 550663593 /nfs/dbraw/zinc/66/35/93/550663593.db2.gz AGYVAPPSQCFQEA-KRWDZBQOSA-N 0 3 370.413 1.745 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000578764910 550799600 /nfs/dbraw/zinc/79/96/00/550799600.db2.gz WINUESAZMFXAQZ-INIZCTEOSA-N 0 3 351.428 1.260 20 5 FDBDHN CN(C)C(=O)Nc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000580424011 550980780 /nfs/dbraw/zinc/98/07/80/550980780.db2.gz MQEYHGXUYTZDKX-HNNXBMFYSA-N 0 3 362.390 1.036 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000582507120 551234128 /nfs/dbraw/zinc/23/41/28/551234128.db2.gz GAXAEGSYVTZKHZ-UHFFFAOYSA-N 0 3 362.430 1.320 20 5 FDBDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000584487877 551504669 /nfs/dbraw/zinc/50/46/69/551504669.db2.gz ACSVEYAINRJEMZ-DZGCQCFKSA-N 0 3 370.475 1.825 20 5 FDBDHN NC(=O)c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000585718674 551587266 /nfs/dbraw/zinc/58/72/66/551587266.db2.gz SOJOHWSMNMKLHG-MRXNPFEDSA-N 0 3 362.430 1.380 20 5 FDBDHN CC(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000587866737 551636303 /nfs/dbraw/zinc/63/63/03/551636303.db2.gz TWQTWWNCXSKATC-UHFFFAOYSA-N 0 3 360.414 1.542 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000588869359 551695126 /nfs/dbraw/zinc/69/51/26/551695126.db2.gz NOORJZTVMYQBIM-HNNXBMFYSA-N 0 3 350.419 1.360 20 5 FDBDHN CNC(=O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589310543 551724425 /nfs/dbraw/zinc/72/44/25/551724425.db2.gz RHAQBCZJZJEVKR-UHFFFAOYSA-N 0 3 363.155 1.425 20 5 FDBDHN Cn1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590446467 551785456 /nfs/dbraw/zinc/78/54/56/551785456.db2.gz UBISLVIPTROYAC-BBRMVZONSA-N 0 3 355.398 1.771 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000590446387 551785656 /nfs/dbraw/zinc/78/56/56/551785656.db2.gz TTWSGEHKQFOZCA-WFASDCNBSA-N 0 3 356.382 1.684 20 5 FDBDHN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1CCO ZINC000590747418 551810785 /nfs/dbraw/zinc/81/07/85/551810785.db2.gz OPXKDXFSLMAISG-UHFFFAOYSA-N 0 3 373.413 1.514 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000591528989 551876498 /nfs/dbraw/zinc/87/64/98/551876498.db2.gz GXODHUNHOSEKNG-MRXNPFEDSA-N 0 3 374.441 1.766 20 5 FDBDHN CO[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000591745515 551905675 /nfs/dbraw/zinc/90/56/75/551905675.db2.gz LPUSNGUZUJYZMV-CABCVRRESA-N 0 3 354.794 1.783 20 5 FDBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000591750381 551906030 /nfs/dbraw/zinc/90/60/30/551906030.db2.gz SRQIPYUSKSZAKA-ZDUSSCGKSA-N 0 3 364.402 1.150 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592104737 551942635 /nfs/dbraw/zinc/94/26/35/551942635.db2.gz UYLBDCQWBINHJN-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592177738 551954329 /nfs/dbraw/zinc/95/43/29/551954329.db2.gz OTASCHMYHYHJJN-QZTJIDSGSA-N 0 3 372.425 1.812 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592254389 551968450 /nfs/dbraw/zinc/96/84/50/551968450.db2.gz YNFUHLAQRLKOHY-CYBMUJFWSA-N 0 3 363.418 1.795 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H]2CCCN2C)c1 ZINC000593467367 552113381 /nfs/dbraw/zinc/11/33/81/552113381.db2.gz PHMLNZXIIRXNBV-MRXNPFEDSA-N 0 3 357.414 1.972 20 5 FDBDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593530240 552124467 /nfs/dbraw/zinc/12/44/67/552124467.db2.gz IAWLIIBLOZAOBL-STQMWFEESA-N 0 3 356.448 1.636 20 5 FDBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535436 552125502 /nfs/dbraw/zinc/12/55/02/552125502.db2.gz KQFIZHJTKFPNID-GFCCVEGCSA-N 0 3 356.448 1.779 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCCC2)nc1 ZINC000593541800 552127925 /nfs/dbraw/zinc/12/79/25/552127925.db2.gz OTWSCYKTVJRWRJ-UHFFFAOYSA-N 0 3 356.448 1.924 20 5 FDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594226446 552266985 /nfs/dbraw/zinc/26/69/85/552266985.db2.gz DVMHAFKGTFNZPJ-DLBZAZTESA-N 0 3 362.430 1.378 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594327929 552289393 /nfs/dbraw/zinc/28/93/93/552289393.db2.gz XWQIVGGGZFOFSU-CABCVRRESA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594418173 552306743 /nfs/dbraw/zinc/30/67/43/552306743.db2.gz GVIPBASAOVKSPO-IAOVAPTHSA-N 0 3 374.441 1.846 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)cc1OC ZINC000594451352 552313099 /nfs/dbraw/zinc/31/30/99/552313099.db2.gz LANAFWGUQPILAF-NSHDSACASA-N 0 3 351.281 1.622 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)cc1OC ZINC000594451351 552313175 /nfs/dbraw/zinc/31/31/75/552313175.db2.gz LANAFWGUQPILAF-LLVKDONJSA-N 0 3 351.281 1.622 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000594494399 552325952 /nfs/dbraw/zinc/32/59/52/552325952.db2.gz AGFIVUUDBCBEPR-YJBOKZPZSA-N 0 3 360.458 1.578 20 5 FDBDHN C[C@H]1CC[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594505646 552326648 /nfs/dbraw/zinc/32/66/48/552326648.db2.gz YIFGUMWQKIQWDN-NWDGAFQWSA-N 0 3 359.473 1.747 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H](N2CCCC2)CC1 ZINC000594760942 552373737 /nfs/dbraw/zinc/37/37/37/552373737.db2.gz AAXDDKWDEOENAB-CYBMUJFWSA-N 0 3 354.432 1.629 20 5 FDBDHN COC(=O)COc1ccc(CNCCc2cncc(C)n2)cc1[N+](=O)[O-] ZINC000594994227 552434389 /nfs/dbraw/zinc/43/43/89/552434389.db2.gz ILYYGFJZSBXDRF-UHFFFAOYSA-N 0 3 360.370 1.577 20 5 FDBDHN C[C@@H](CSCCF)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595012934 552437143 /nfs/dbraw/zinc/43/71/43/552437143.db2.gz GBVXIGPIQGORID-NSHDSACASA-N 0 3 365.452 1.554 20 5 FDBDHN CCN(CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)S(C)(=O)=O ZINC000595015786 552437470 /nfs/dbraw/zinc/43/74/70/552437470.db2.gz HFUZGKATQXQQPF-GFCCVEGCSA-N 0 3 359.448 1.926 20 5 FDBDHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595247877 552504683 /nfs/dbraw/zinc/50/46/83/552504683.db2.gz IISNZAIOTIXYKK-UHFFFAOYSA-N 0 3 370.312 1.084 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258202 552506424 /nfs/dbraw/zinc/50/64/24/552506424.db2.gz SOAGJAMVMXYUOA-OAHLLOKOSA-N 0 3 359.386 1.789 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536318 552580550 /nfs/dbraw/zinc/58/05/50/552580550.db2.gz OYWYSPRSUJXXHD-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684201 552602878 /nfs/dbraw/zinc/60/28/78/552602878.db2.gz LFQZUYRBIVKEIF-HOCLYGCPSA-N 0 3 350.375 1.138 20 5 FDBDHN COc1cccc([C@@]2(C)CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595765394 552612996 /nfs/dbraw/zinc/61/29/96/552612996.db2.gz KQPFVEPPTOHQHO-AEFFLSMTSA-N 0 3 360.414 1.824 20 5 FDBDHN CCCN1CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000595802146 552617443 /nfs/dbraw/zinc/61/74/43/552617443.db2.gz ZWBIGHKDZAIFGO-AWEZNQCLSA-N 0 3 362.434 1.306 20 5 FDBDHN O=[N+]([O-])c1c(N2CCC(N3CCCOCC3)CC2)nc2sccn21 ZINC000596269464 552669879 /nfs/dbraw/zinc/66/98/79/552669879.db2.gz VMOSCNSEEVMLLN-UHFFFAOYSA-N 0 3 351.432 1.995 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596913248 552723732 /nfs/dbraw/zinc/72/37/32/552723732.db2.gz VLWJXZRLGRTELG-UHFFFAOYSA-N 0 3 365.434 1.641 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597693194 552822964 /nfs/dbraw/zinc/82/29/64/552822964.db2.gz BWKSPHZCKIVJLJ-ZBFHGGJFSA-N 0 3 351.378 1.598 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598189271 552874194 /nfs/dbraw/zinc/87/41/94/552874194.db2.gz ZNOPEUQTPYFAJD-JKSUJKDBSA-N 0 3 362.430 1.177 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000598377677 552890370 /nfs/dbraw/zinc/89/03/70/552890370.db2.gz YWVWWTLJXRASKS-CQSZACIVSA-N 0 3 363.414 1.977 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000598900559 552941548 /nfs/dbraw/zinc/94/15/48/552941548.db2.gz KGKVKADXYYXJCX-YPMHNXCESA-N 0 3 361.402 1.458 20 5 FDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000598914043 552944002 /nfs/dbraw/zinc/94/40/02/552944002.db2.gz WFYYDMVBLWHTFC-IAGOWNOFSA-N 0 3 368.393 1.795 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598962661 552951706 /nfs/dbraw/zinc/95/17/06/552951706.db2.gz DBZYADGGLJCWHB-UBHSHLNASA-N 0 3 353.444 1.897 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000599024403 552959192 /nfs/dbraw/zinc/95/91/92/552959192.db2.gz PEZMMQFRFQWISH-WFASDCNBSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599413551 553051316 /nfs/dbraw/zinc/05/13/16/553051316.db2.gz ZXYAHYJYNBLUIV-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986743 553194261 /nfs/dbraw/zinc/19/42/61/553194261.db2.gz YSZKLWXDOOFMLZ-ZDUSSCGKSA-N 0 3 362.430 1.656 20 5 FDBDHN Nc1c(C(=O)N2CCC(N3CCCOCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000600007742 553198657 /nfs/dbraw/zinc/19/86/57/553198657.db2.gz ZMXJAFBNSIRNFY-UHFFFAOYSA-N 0 3 366.393 1.643 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470789 553273258 /nfs/dbraw/zinc/27/32/58/553273258.db2.gz ILAWCQXXJLPAAM-DYVFJYSZSA-N 0 3 374.441 1.846 20 5 FDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1N(C)C ZINC000601135942 553351210 /nfs/dbraw/zinc/35/12/10/553351210.db2.gz TVULFZZXZLTANB-HTQZYQBOSA-N 0 3 353.370 1.829 20 5 FDBDHN O=C(N1CC[C@@H](N2CC[C@@H](O)C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601588743 553441062 /nfs/dbraw/zinc/44/10/62/553441062.db2.gz PMQVAXMVHXKGAW-IAGOWNOFSA-N 0 3 359.426 1.684 20 5 FDBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000601881130 553486112 /nfs/dbraw/zinc/48/61/12/553486112.db2.gz RRMJNEWNQZYJJQ-INIZCTEOSA-N 0 3 370.409 1.456 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(C1)CCN(C)CC2 ZINC000603378480 553775524 /nfs/dbraw/zinc/77/55/24/553775524.db2.gz HQRVXQSUFKJJOT-UHFFFAOYSA-N 0 3 369.443 1.710 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000603403274 553780714 /nfs/dbraw/zinc/78/07/14/553780714.db2.gz MUMJJXQKELCFKS-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CN(C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccccc1 ZINC000603929190 553831258 /nfs/dbraw/zinc/83/12/58/553831258.db2.gz XNTWFEPBPBJSEJ-OAHLLOKOSA-N 0 3 364.427 1.957 20 5 FDBDHN Nc1nc(NCc2ccc(OCCN3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000609513788 554385972 /nfs/dbraw/zinc/38/59/72/554385972.db2.gz NMTHKPVECSAVHN-UHFFFAOYSA-N 0 3 358.402 1.476 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609642296 554407022 /nfs/dbraw/zinc/40/70/22/554407022.db2.gz HYAFHGDBTFGJIM-ZDUSSCGKSA-N 0 3 360.418 1.058 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CCS(=O)(=O)CC1 ZINC000610162180 554470510 /nfs/dbraw/zinc/47/05/10/554470510.db2.gz FBPVQQJXLRNTCQ-UHFFFAOYSA-N 0 3 358.416 1.023 20 5 FDBDHN C[N@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000610212272 554474167 /nfs/dbraw/zinc/47/41/67/554474167.db2.gz RCTAFBSJLMFOQF-UHFFFAOYSA-N 0 3 364.427 1.790 20 5 FDBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000610212272 554474168 /nfs/dbraw/zinc/47/41/68/554474168.db2.gz RCTAFBSJLMFOQF-UHFFFAOYSA-N 0 3 364.427 1.790 20 5 FDBDHN COc1ccc(CNC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000610478490 554516283 /nfs/dbraw/zinc/51/62/83/554516283.db2.gz ZRBSPDLNHKXLNL-UHFFFAOYSA-N 0 3 362.390 1.683 20 5 FDBDHN O=[N+]([O-])c1c(N2CCCN(C[C@H]3CCCO3)CC2)nc2sccn21 ZINC000610489139 554518355 /nfs/dbraw/zinc/51/83/55/554518355.db2.gz GNSPIMMRWNYVLU-GFCCVEGCSA-N 0 3 351.432 1.995 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC(OC)CC1 ZINC000610572822 554532461 /nfs/dbraw/zinc/53/24/61/554532461.db2.gz DKEYKHBQEOUSMN-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000612613247 554815274 /nfs/dbraw/zinc/81/52/74/554815274.db2.gz QQXAEOUOHSLPMF-CQSZACIVSA-N 0 3 365.409 1.978 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000619491650 555787841 /nfs/dbraw/zinc/78/78/41/555787841.db2.gz FNFCXHOWVRHJDD-OLZOCXBDSA-N 0 3 369.443 1.708 20 5 FDBDHN CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735856091 598499034 /nfs/dbraw/zinc/49/90/34/598499034.db2.gz BNJMSKWVCQBDFG-UHFFFAOYSA-N 0 3 360.422 1.727 20 5 FDBDHN CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735856091 598499035 /nfs/dbraw/zinc/49/90/35/598499035.db2.gz BNJMSKWVCQBDFG-UHFFFAOYSA-N 0 3 360.422 1.727 20 5 FDBDHN CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735856091 598499036 /nfs/dbraw/zinc/49/90/36/598499036.db2.gz BNJMSKWVCQBDFG-UHFFFAOYSA-N 0 3 360.422 1.727 20 5 FDBDHN CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735856091 598499037 /nfs/dbraw/zinc/49/90/37/598499037.db2.gz BNJMSKWVCQBDFG-UHFFFAOYSA-N 0 3 360.422 1.727 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCN(C)CC1 ZINC000276765905 674764657 /nfs/dbraw/zinc/76/46/57/674764657.db2.gz XSBIBRDQIKELNE-UHFFFAOYSA-N 0 3 354.838 1.924 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000277664715 674993068 /nfs/dbraw/zinc/99/30/68/674993068.db2.gz WVXGHSZARYHOCH-ZDUSSCGKSA-N 0 3 350.419 1.217 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000277731884 675023085 /nfs/dbraw/zinc/02/30/85/675023085.db2.gz OGAXTIQHRJZPFV-UHFFFAOYSA-N 0 3 357.407 1.887 20 5 FDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263976864 672895989 /nfs/dbraw/zinc/89/59/89/672895989.db2.gz DLGPRSFZPZGCHN-LLVKDONJSA-N 0 3 373.431 1.375 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000267733723 673322272 /nfs/dbraw/zinc/32/22/72/673322272.db2.gz HHDKNUVSFKSYTI-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCN(C)CC1 ZINC000281131071 675493656 /nfs/dbraw/zinc/49/36/56/675493656.db2.gz JEDHAZJBEFXFSQ-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362020213 676906247 /nfs/dbraw/zinc/90/62/47/676906247.db2.gz GUUWDNWONKIYFF-QMTHXVAHSA-N 0 3 366.805 1.739 20 5 FDBDHN CSc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000363779342 676972961 /nfs/dbraw/zinc/97/29/61/676972961.db2.gz ZZDIVEKETZTEPD-NEPJUHHUSA-N 0 3 351.428 1.910 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000375877039 678189620 /nfs/dbraw/zinc/18/96/20/678189620.db2.gz RPNAZPQCKKPDFR-INIZCTEOSA-N 0 3 350.394 1.472 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377475234 678547318 /nfs/dbraw/zinc/54/73/18/678547318.db2.gz LVATUHCZYJUXNF-NEPJUHHUSA-N 0 3 351.428 1.910 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000377513311 678552070 /nfs/dbraw/zinc/55/20/70/678552070.db2.gz SQPVPQYZUDOGAD-QWHCGFSZSA-N 0 3 351.428 1.910 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000378319377 678739823 /nfs/dbraw/zinc/73/98/23/678739823.db2.gz RQGKVZQEGBQPAC-QWHCGFSZSA-N 0 3 352.460 1.754 20 5 FDBDHN CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000423702955 680810408 /nfs/dbraw/zinc/81/04/08/680810408.db2.gz ATWMDLUNXKXXIP-NSHDSACASA-N 0 3 350.375 1.003 20 5 FDBDHN CC(C)(CN1CCOCC1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412000943 679140862 /nfs/dbraw/zinc/14/08/62/679140862.db2.gz FTSQKLQXXXOTMG-UHFFFAOYSA-N 0 3 370.837 1.887 20 5 FDBDHN COC(=O)[C@]1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412060927 679148542 /nfs/dbraw/zinc/14/85/42/679148542.db2.gz HECWUOPYDUSSOB-CXAGYDPISA-N 0 3 352.387 1.610 20 5 FDBDHN CO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453198130 683155039 /nfs/dbraw/zinc/15/50/39/683155039.db2.gz VDRDSEBVDUQNMT-HUUCEWRRSA-N 0 3 354.428 1.916 20 5 FDBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000458196353 683838609 /nfs/dbraw/zinc/83/86/09/683838609.db2.gz DSTIYFCAKNFMMC-UHFFFAOYSA-N 0 3 364.427 1.408 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000480082087 686126837 /nfs/dbraw/zinc/12/68/37/686126837.db2.gz GZIPLAMXMDSRLS-UKRRQHHQSA-N 0 3 350.467 1.582 20 5 FDBDHN CCN1CCN(CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497538087 687686554 /nfs/dbraw/zinc/68/65/54/687686554.db2.gz WYJZHFIIASCMFM-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN COc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000500462108 688085565 /nfs/dbraw/zinc/08/55/65/688085565.db2.gz PUUBGTWVORFYRR-JQWIXIFHSA-N 0 3 373.431 1.117 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502852007 688307860 /nfs/dbraw/zinc/30/78/60/688307860.db2.gz YDIXRPXMMJFJLC-QWRGUYRKSA-N 0 3 354.794 1.691 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000514671231 689750630 /nfs/dbraw/zinc/75/06/30/689750630.db2.gz XHWMEPJNEWJFNS-YOEHRIQHSA-N 0 3 351.403 1.622 20 5 FDBDHN COc1cc(CCNC(=O)[C@H](N)C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000261628867 774278982 /nfs/dbraw/zinc/27/89/82/774278982.db2.gz CUDHMEKRZXCYAQ-MRXNPFEDSA-N 0 3 367.402 1.025 20 5 FDBDHN CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022064817 777712515 /nfs/dbraw/zinc/71/25/15/777712515.db2.gz OHAPLNBXIOAWBC-LYIQGSDWSA-N 0 3 352.460 1.843 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000364465989 785059506 /nfs/dbraw/zinc/05/95/06/785059506.db2.gz FXPWUAFEPFQUQU-NWDGAFQWSA-N 0 3 365.386 1.205 20 5 FDBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000416017079 793494567 /nfs/dbraw/zinc/49/45/67/793494567.db2.gz VJRVBRMCVZNDGI-UHFFFAOYSA-N 0 3 368.397 1.947 20 5 FDBDHN COc1cnccc1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000481068854 793558253 /nfs/dbraw/zinc/55/82/53/793558253.db2.gz HEMOSHPVOHGCDP-UHFFFAOYSA-N 0 3 355.358 1.368 20 5 FDBDHN N[C@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CCC1 ZINC000423902733 815265428 /nfs/dbraw/zinc/26/54/28/815265428.db2.gz PHPVMILGEBHMTF-INIZCTEOSA-N 0 3 372.429 1.637 20 5 FDBDHN N[C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514930444 816038493 /nfs/dbraw/zinc/03/84/93/816038493.db2.gz DJTKPGIXIQFNTB-INIZCTEOSA-N 0 3 361.446 1.936 20 5 FDBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000515870463 816491023 /nfs/dbraw/zinc/49/10/23/816491023.db2.gz ZFILVDLKRVKSDN-KGLIPLIRSA-N 0 3 371.372 1.544 20 5 FDBDHN Cn1nc2c(c1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCCC2 ZINC000517130202 817250929 /nfs/dbraw/zinc/25/09/29/817250929.db2.gz RJARSDLQWRBZOZ-CYBMUJFWSA-N 0 3 360.414 1.737 20 5 FDBDHN Cc1cc(N[C@@H](C)[C@H]2CN(C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895248169 822222951 /nfs/dbraw/zinc/22/29/51/822222951.db2.gz JDXQYQXCYVDBHP-WMLDXEAASA-N 0 3 370.457 1.828 20 5 FDBDHN Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000896219488 824210049 /nfs/dbraw/zinc/21/00/49/824210049.db2.gz FGSNVWMGUNGBGI-JKSUJKDBSA-N 0 3 362.430 1.644 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000896432975 824399587 /nfs/dbraw/zinc/39/95/87/824399587.db2.gz UDJVZMSHBSAYPY-OLZOCXBDSA-N 0 3 353.444 1.978 20 5 FDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000447813937 828906480 /nfs/dbraw/zinc/90/64/80/828906480.db2.gz XYIFNTBEJLVZKU-AWEZNQCLSA-N 0 3 356.448 1.775 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000447813387 828907244 /nfs/dbraw/zinc/90/72/44/828907244.db2.gz RKMXBEOGNCSEHO-KRWDZBQOSA-N 0 3 358.442 1.878 20 5 FDBDHN Cc1cc(N2CC[C@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449177666 829408831 /nfs/dbraw/zinc/40/88/31/829408831.db2.gz WJTOUORFUSLVAA-DOMZBBRYSA-N 0 3 357.414 1.963 20 5 FDBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450685544 830063967 /nfs/dbraw/zinc/06/39/67/830063967.db2.gz TWBKKUPMSKNMKN-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428543057 832458084 /nfs/dbraw/zinc/45/80/84/832458084.db2.gz GSENVTDCQQWFMK-CQSZACIVSA-N 0 3 356.382 1.996 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000454086117 834548805 /nfs/dbraw/zinc/54/88/05/834548805.db2.gz FULBSCXRNIVOGB-ZDUSSCGKSA-N 0 3 364.402 1.483 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898382091 841058588 /nfs/dbraw/zinc/05/85/88/841058588.db2.gz RNZHHQGVNGAXSJ-UONOGXRCSA-N 0 3 350.371 1.661 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)[C@H]2C1 ZINC000899138910 845857970 /nfs/dbraw/zinc/85/79/70/845857970.db2.gz YYMLDDHELZYACL-CABCVRRESA-N 0 3 356.386 1.011 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000482382052 847837556 /nfs/dbraw/zinc/83/75/56/847837556.db2.gz HJKYTKWDSOZLNY-UHFFFAOYSA-N 0 3 361.402 1.541 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000907548982 854348598 /nfs/dbraw/zinc/34/85/98/854348598.db2.gz RANDKOSORVDUOT-YGRLFVJLSA-N 0 3 359.835 1.820 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000907553629 854352520 /nfs/dbraw/zinc/35/25/20/854352520.db2.gz GMWCKNYEZDEIFB-ABAIWWIYSA-N 0 3 357.407 1.615 20 5 FDBDHN CC/C=C\CCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105706976 856007926 /nfs/dbraw/zinc/00/79/26/856007926.db2.gz HQUXQNRPSXHQEX-NMBNSIPYSA-N 0 3 351.447 1.700 20 5 FDBDHN CN1CCC(N(CCO)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000911939523 859167882 /nfs/dbraw/zinc/16/78/82/859167882.db2.gz VZTHTMJVRMHLDM-UHFFFAOYSA-N 0 3 355.822 1.706 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249477375 860155399 /nfs/dbraw/zinc/15/53/99/860155399.db2.gz AGOOIYCNMDRODP-GJZGRUSLSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000490305248 861113067 /nfs/dbraw/zinc/11/30/67/861113067.db2.gz CIRCLBWNEULVFA-ZBFHGGJFSA-N 0 3 372.429 1.926 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083753 864985194 /nfs/dbraw/zinc/98/51/94/864985194.db2.gz PMNCFFQIGXHWFH-ZDUSSCGKSA-N 0 3 368.459 1.520 20 5 FDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000916662457 881997202 /nfs/dbraw/zinc/99/72/02/881997202.db2.gz VMGOOXPIYVDLJZ-NEPJUHHUSA-N 0 3 357.407 1.615 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916666362 882022923 /nfs/dbraw/zinc/02/29/23/882022923.db2.gz JAPRPGGPPGUFCC-UONOGXRCSA-N 0 3 353.444 1.729 20 5 FDBDHN Cc1ccc(NCCCNC(=O)NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000460267093 868549473 /nfs/dbraw/zinc/54/94/73/868549473.db2.gz DNRTULSLEBHCPX-KRWDZBQOSA-N 0 3 365.434 1.071 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000914783472 874644650 /nfs/dbraw/zinc/64/46/50/874644650.db2.gz FDRDDFBVQMKSHI-UHFFFAOYSA-N 0 3 361.402 1.000 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272619291 878055699 /nfs/dbraw/zinc/05/56/99/878055699.db2.gz YDKUXMRHADZENK-UHFFFAOYSA-N 0 3 370.400 1.783 20 5 FDBDHN Cc1ccnc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC001035186593 885706765 /nfs/dbraw/zinc/70/67/65/885706765.db2.gz GNSFSSWJTVIXEN-HUUCEWRRSA-N 0 3 359.430 1.265 20 5 FDBDHN O=C(NCC1CN(Cc2cnc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662370 886993366 /nfs/dbraw/zinc/99/33/66/886993366.db2.gz CQLXBLLSTYYAFU-HZPDHXFCSA-N 0 3 356.382 1.555 20 5 FDBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429301326 887876127 /nfs/dbraw/zinc/87/61/27/887876127.db2.gz LLUHXFNWLPVLNI-AWEZNQCLSA-N 0 3 353.378 1.947 20 5 FDBDHN CC(C)(C)OC(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000744386445 926659112 /nfs/dbraw/zinc/65/91/12/926659112.db2.gz FAEXFJMTIWGQRW-CQSZACIVSA-N 0 3 369.422 1.141 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3nnc(COc4ccccn4)n3CC2)C1 ZINC001169018782 928239130 /nfs/dbraw/zinc/23/91/30/928239130.db2.gz DSKOKALAISJLOS-HUUCEWRRSA-N 0 3 372.429 1.556 20 5 FDBDHN C[C@@H]1CCCN1C(=O)c1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018847 928240035 /nfs/dbraw/zinc/24/00/35/928240035.db2.gz COYZYACJWATMPO-RDBSUJKOSA-N 0 3 361.446 1.771 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)C1 ZINC001169025475 928251426 /nfs/dbraw/zinc/25/14/26/928251426.db2.gz JHBIBZDOMUKWKD-DRRXZNNHSA-N 0 3 362.430 1.780 20 5 FDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000772534151 931338729 /nfs/dbraw/zinc/33/87/29/931338729.db2.gz SINPMUOTPAOYLY-CABZTGNLSA-N 0 3 360.326 1.727 20 5 FDBDHN COc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(N)=O ZINC000788644191 932754848 /nfs/dbraw/zinc/75/48/48/932754848.db2.gz RIWCFGSRBBTECR-LLVKDONJSA-N 0 3 374.397 1.901 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000788966917 932893563 /nfs/dbraw/zinc/89/35/63/932893563.db2.gz YXSKTVGKBPNKMV-CQSZACIVSA-N 0 3 364.354 1.871 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747230688 938680634 /nfs/dbraw/zinc/68/06/34/938680634.db2.gz WUIKEVJTOBFVQP-HOTGVXAUSA-N 0 3 358.398 1.529 20 5 FDBDHN CCN(C)C(=O)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000805761975 938825986 /nfs/dbraw/zinc/82/59/86/938825986.db2.gz LRUVLRKZNALBCS-HIFRSBDPSA-N 0 3 369.422 1.095 20 5 FDBDHN CC(COC(=O)CN(C)C(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813101472 941326021 /nfs/dbraw/zinc/32/60/21/941326021.db2.gz BECAUTBKQGIPIB-SSDOTTSWSA-N 0 3 365.205 1.791 20 5 FDBDHN CC(COC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813108314 941334406 /nfs/dbraw/zinc/33/44/06/941334406.db2.gz DDAKGHBMJHLUFZ-LLVKDONJSA-N 0 3 362.379 1.435 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000815705674 941945788 /nfs/dbraw/zinc/94/57/88/941945788.db2.gz VJVPFOUMCAEWOO-MFKMUULPSA-N 0 3 350.350 1.143 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(N3CCOCC3)nc2)c1 ZINC000818944413 943355854 /nfs/dbraw/zinc/35/58/54/943355854.db2.gz KZXVTXMMSDRZMG-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000819336248 943531319 /nfs/dbraw/zinc/53/13/19/943531319.db2.gz CWJFALHBCYBGQN-CJNGLKHVSA-N 0 3 362.407 1.789 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000772907157 948211312 /nfs/dbraw/zinc/21/13/12/948211312.db2.gz VENCFCBQUKEQCB-UHFFFAOYSA-N 0 3 358.402 1.723 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000844762576 948368993 /nfs/dbraw/zinc/36/89/93/948368993.db2.gz WTQJHHYFKNBQHO-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN O=C(NCCCCCCNCc1nc(C(F)F)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458344 964242397 /nfs/dbraw/zinc/24/23/97/964242397.db2.gz BZCIKBCTZXXOOR-NXEZZACHSA-N 0 3 361.349 1.439 20 5 FDBDHN NS(=O)(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187685691 965623216 /nfs/dbraw/zinc/62/32/16/965623216.db2.gz CRVWTDWRIYRRQI-CYBMUJFWSA-N 0 3 362.411 1.393 20 5 FDBDHN O=C([C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000776574649 967132857 /nfs/dbraw/zinc/13/28/57/967132857.db2.gz KIESLCMRIUFRSX-DOTOQJQBSA-N 0 3 363.414 1.199 20 5 FDBDHN C[C@]12COC[C@@H]1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000852534198 967404216 /nfs/dbraw/zinc/40/42/16/967404216.db2.gz INNWNXGEBOVAPB-KXBFYZLASA-N 0 3 374.441 1.212 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCCN2CCCO)c1F ZINC000854689482 969082602 /nfs/dbraw/zinc/08/26/02/969082602.db2.gz FAGLFTRCWGILCR-NSHDSACASA-N 0 3 357.357 1.758 20 5 FDBDHN CCN(Cc1coc(C)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713153 1013854481 /nfs/dbraw/zinc/85/44/81/1013854481.db2.gz OPEMKDVUKJGBBE-HZPDHXFCSA-N 0 3 350.419 1.709 20 5 FDBDHN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCN(C3CC3)CC2)C1=O ZINC000863499749 972962277 /nfs/dbraw/zinc/96/22/77/972962277.db2.gz HJPLYKOVSRCQBZ-GOSISDBHSA-N 0 3 358.398 1.989 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865792730 974493192 /nfs/dbraw/zinc/49/31/92/974493192.db2.gz WYVMRNIUUJHOFF-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)C1CCOCC1 ZINC000866366887 975577339 /nfs/dbraw/zinc/57/73/39/975577339.db2.gz CNXDRRDCBYCKRY-GFCCVEGCSA-N 0 3 374.434 1.848 20 5 FDBDHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](N2CC=CC2)C1 ZINC000848479574 976810623 /nfs/dbraw/zinc/81/06/23/976810623.db2.gz FXNHHVUWQKRYRO-QZTJIDSGSA-N 0 3 356.426 1.814 20 5 FDBDHN CCN1CCN(CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848580503 976909192 /nfs/dbraw/zinc/90/91/92/976909192.db2.gz WICUHZJBPAWOBF-UHFFFAOYSA-N 0 3 372.372 1.320 20 5 FDBDHN O=[N+]([O-])c1ccc(I)c(OC[C@H]2CNCCO2)c1 ZINC000849240935 977380758 /nfs/dbraw/zinc/38/07/58/977380758.db2.gz ZKDXDGRKPQNTOF-SECBINFHSA-N 0 3 364.139 1.567 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000859559170 982917770 /nfs/dbraw/zinc/91/77/70/982917770.db2.gz QZSCPQMGZGWCLA-INIZCTEOSA-N 0 3 369.349 1.326 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001137205218 982991654 /nfs/dbraw/zinc/99/16/54/982991654.db2.gz WATOPUBILSXPHV-RYUDHWBXSA-N 0 3 351.407 1.191 20 5 FDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000861344231 983695105 /nfs/dbraw/zinc/69/51/05/983695105.db2.gz NKGABEPFIJXKCL-YOEHRIQHSA-N 0 3 362.386 1.597 20 5 FDBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(Br)c1 ZINC000870377606 985952284 /nfs/dbraw/zinc/95/22/84/985952284.db2.gz RGYAMQJDEPNVIW-UFBFGSQYSA-N 0 3 359.176 1.835 20 5 FDBDHN C[C@@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033869 987444791 /nfs/dbraw/zinc/44/47/91/987444791.db2.gz HAKPCIORHOMLFS-HUUCEWRRSA-N 0 3 366.437 1.791 20 5 FDBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CN1CCN(C)CC1 ZINC000299072767 988097663 /nfs/dbraw/zinc/09/76/63/988097663.db2.gz WXJWUWBWBQEOGB-CYBMUJFWSA-N 0 3 359.430 1.689 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299204028 988227807 /nfs/dbraw/zinc/22/78/07/988227807.db2.gz GOAIKOYZBLQUQP-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000366201920 988535695 /nfs/dbraw/zinc/53/56/95/988535695.db2.gz NDNIREHURJBGQZ-CYBMUJFWSA-N 0 3 359.386 1.454 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363659322 989373199 /nfs/dbraw/zinc/37/31/99/989373199.db2.gz HPANXTZVYGENPA-HZPDHXFCSA-N 0 3 374.441 1.788 20 5 FDBDHN COc1cc(C[NH2+]C[C@H]2CCCN2c2cccnn2)c([N+](=O)[O-])cc1[O-] ZINC000370822558 990018912 /nfs/dbraw/zinc/01/89/12/990018912.db2.gz PHYJYSAPLPPQIQ-CYBMUJFWSA-N 0 3 359.386 1.858 20 5 FDBDHN COc1cc(CNC[C@H]2CCCN2c2cccnn2)c([N+](=O)[O-])cc1O ZINC000370822558 990018921 /nfs/dbraw/zinc/01/89/21/990018921.db2.gz PHYJYSAPLPPQIQ-CYBMUJFWSA-N 0 3 359.386 1.858 20 5 FDBDHN O=[N+]([O-])c1ccc(CCN2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000372275663 990992016 /nfs/dbraw/zinc/99/20/16/990992016.db2.gz XEVUTOIOPJUQDR-UHFFFAOYSA-N 0 3 362.474 1.477 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000876470124 992625217 /nfs/dbraw/zinc/62/52/17/992625217.db2.gz OGTRPUMGAOEJPI-YOCVDRLZSA-N 0 3 363.414 1.414 20 5 FDBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000470166571 993959606 /nfs/dbraw/zinc/95/96/06/993959606.db2.gz GXINFIKVANJLJW-OAHLLOKOSA-N 0 3 360.418 1.459 20 5 FDBDHN COc1ccc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCN2)cc1 ZINC000879520027 994973108 /nfs/dbraw/zinc/97/31/08/994973108.db2.gz FCMKFKJYWDYTFV-KRWDZBQOSA-N 0 3 358.398 1.412 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266177003 999126147 /nfs/dbraw/zinc/12/61/47/999126147.db2.gz XNNXKMDOAQZMLW-INIZCTEOSA-N 0 3 362.430 1.196 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000266677854 999213351 /nfs/dbraw/zinc/21/33/51/999213351.db2.gz RGTAGTWJRLPIMF-OAHLLOKOSA-N 0 3 368.397 1.818 20 5 FDBDHN COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271125544 999664348 /nfs/dbraw/zinc/66/43/48/999664348.db2.gz ZUHKNMAPTPYRAQ-ZDUSSCGKSA-N 0 3 366.393 1.485 20 5 FDBDHN COCC1(O)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271165416 999669731 /nfs/dbraw/zinc/66/97/31/999669731.db2.gz FOGPQYGCXMXZSB-UHFFFAOYSA-N 0 3 360.414 1.969 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCNC(=O)C(C)C ZINC000271240393 999678681 /nfs/dbraw/zinc/67/86/81/999678681.db2.gz OVZBNTRPPQRSHN-UHFFFAOYSA-N 0 3 366.418 1.636 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCN1C ZINC000928437601 1001521021 /nfs/dbraw/zinc/52/10/21/1001521021.db2.gz XQRFFBBEXMTAFT-CABZTGNLSA-N 0 3 368.340 1.242 20 5 FDBDHN CN1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930204173 1002924752 /nfs/dbraw/zinc/92/47/52/1002924752.db2.gz IKLUAOYKXYTRAB-ZWKOTPCHSA-N 0 3 360.458 1.842 20 5 FDBDHN Cn1ccc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000932141026 1004790840 /nfs/dbraw/zinc/79/08/40/1004790840.db2.gz NHFCCJQLBUNLND-OAHLLOKOSA-N 0 3 360.414 1.948 20 5 FDBDHN COc1ccc(OCCN2CCC3(CC2)C[C@@H](O)CCO3)c([N+](=O)[O-])c1 ZINC000933062307 1005338373 /nfs/dbraw/zinc/33/83/73/1005338373.db2.gz QSSYUMGMRYUSJM-AWEZNQCLSA-N 0 3 366.414 1.988 20 5 FDBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CNCCO1 ZINC000643603504 1008159054 /nfs/dbraw/zinc/15/90/54/1008159054.db2.gz PTUNSSQTBXIXTM-CQSZACIVSA-N 0 3 351.406 1.259 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193047634 178144725 /nfs/dbraw/zinc/14/47/25/178144725.db2.gz BZEMSYQTOVPJOW-ZBFHGGJFSA-N 0 3 353.444 1.986 20 5 FDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000521996716 539527765 /nfs/dbraw/zinc/52/77/65/539527765.db2.gz ZVRGYNBMNIROJW-ILXRZTDVSA-N 0 3 365.430 1.714 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264538878 179130584 /nfs/dbraw/zinc/13/05/84/179130584.db2.gz NIIKWCJWMBWHCZ-QGZVFWFLSA-N 0 3 374.441 1.802 20 5 FDBDHN CCc1[nH]nc(C(=O)Nc2ccnn2C2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000264697334 179170404 /nfs/dbraw/zinc/17/04/04/179170404.db2.gz VOJHTEARRYWJPD-UHFFFAOYSA-N 0 3 361.406 1.986 20 5 FDBDHN CC[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000264976905 179257740 /nfs/dbraw/zinc/25/77/40/179257740.db2.gz QKHNJMHRTSOQQK-GFCCVEGCSA-N 0 3 356.448 1.919 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000524593174 539652823 /nfs/dbraw/zinc/65/28/23/539652823.db2.gz LCAKNZBGLOOOGE-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269383585 180290569 /nfs/dbraw/zinc/29/05/69/180290569.db2.gz JZLDVBPPRVRYOL-GFCCVEGCSA-N 0 3 352.439 1.055 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000269555133 180329496 /nfs/dbraw/zinc/32/94/96/180329496.db2.gz YYGNDRCRWURBKW-LBPRGKRZSA-N 0 3 351.407 1.236 20 5 FDBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000269627000 180344489 /nfs/dbraw/zinc/34/44/89/180344489.db2.gz SZOQVUDSWYPHHL-CYBMUJFWSA-N 0 3 358.402 1.528 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934262263 781931792 /nfs/dbraw/zinc/93/17/92/781931792.db2.gz VYVUNJAJPJBHCX-SJORKVTESA-N 0 3 362.430 1.373 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(CC)CCO)cc1OC ZINC000274607145 181131475 /nfs/dbraw/zinc/13/14/75/181131475.db2.gz YLEYBKNWOZMEHC-UHFFFAOYSA-N 0 3 355.391 1.046 20 5 FDBDHN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397760 540159330 /nfs/dbraw/zinc/15/93/30/540159330.db2.gz LPAGHWMZUYBICW-UHFFFAOYSA-N 0 3 356.382 1.752 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(CCOc2ccccc2)CC1 ZINC000532397618 540159332 /nfs/dbraw/zinc/15/93/32/540159332.db2.gz GHTGDAVYLHPEOR-UHFFFAOYSA-N 0 3 356.382 1.827 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534951784 540430790 /nfs/dbraw/zinc/43/07/90/540430790.db2.gz MEWZXZWQUARQCJ-BYCMXARLSA-N 0 3 352.460 1.899 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1N(C)C ZINC000536546985 540613849 /nfs/dbraw/zinc/61/38/49/540613849.db2.gz DUQWVBJSPZNAGE-OCCSQVGLSA-N 0 3 367.427 1.484 20 5 FDBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCCO ZINC000538174379 540820931 /nfs/dbraw/zinc/82/09/31/540820931.db2.gz GXSVQCWGVUJKJJ-LBPRGKRZSA-N 0 3 350.375 1.522 20 5 FDBDHN Cc1ccc([C@H](CN2CCOCC2)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539242795 540939328 /nfs/dbraw/zinc/93/93/28/540939328.db2.gz BORGEGHSXOBQIO-SFHVURJKSA-N 0 3 359.430 1.763 20 5 FDBDHN Cc1nc([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000540861784 541102827 /nfs/dbraw/zinc/10/28/27/541102827.db2.gz SMGQHQHTGGIUJG-ZFWWWQNUSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000540861784 541102831 /nfs/dbraw/zinc/10/28/31/541102831.db2.gz SMGQHQHTGGIUJG-ZFWWWQNUSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1nnc([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000540861784 541102834 /nfs/dbraw/zinc/10/28/34/541102834.db2.gz SMGQHQHTGGIUJG-ZFWWWQNUSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1nc([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000540861781 541103288 /nfs/dbraw/zinc/10/32/88/541103288.db2.gz SMGQHQHTGGIUJG-DZGCQCFKSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000540861781 541103292 /nfs/dbraw/zinc/10/32/92/541103292.db2.gz SMGQHQHTGGIUJG-DZGCQCFKSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1nnc([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000540861781 541103297 /nfs/dbraw/zinc/10/32/97/541103297.db2.gz SMGQHQHTGGIUJG-DZGCQCFKSA-N 0 3 361.402 1.641 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2CCN(C)CC2)c1 ZINC000542042210 541324170 /nfs/dbraw/zinc/32/41/70/541324170.db2.gz PIEDOURURCDGSA-UHFFFAOYSA-N 0 3 350.419 1.821 20 5 FDBDHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000542757384 541460591 /nfs/dbraw/zinc/46/05/91/541460591.db2.gz DCUOYIJTOHQFPQ-UHFFFAOYSA-N 0 3 373.475 1.848 20 5 FDBDHN C[C@H](C(=O)NCCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544507017 541778924 /nfs/dbraw/zinc/77/89/24/541778924.db2.gz YNWFINQVVHGDBC-AWEZNQCLSA-N 0 3 366.437 1.981 20 5 FDBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000544623424 541797254 /nfs/dbraw/zinc/79/72/54/541797254.db2.gz ALHMZZPPMIOWLJ-LBPRGKRZSA-N 0 3 353.398 1.739 20 5 FDBDHN O=c1[nH]c(N2CCN(CC3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287279809 183252039 /nfs/dbraw/zinc/25/20/39/183252039.db2.gz LQXOVRHLZJQIGA-UHFFFAOYSA-N 0 3 373.413 1.792 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc1 ZINC000547000898 542270142 /nfs/dbraw/zinc/27/01/42/542270142.db2.gz DAEYRNLTJAKHEP-UHFFFAOYSA-N 0 3 358.358 1.830 20 5 FDBDHN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000296530065 184175481 /nfs/dbraw/zinc/17/54/81/184175481.db2.gz CZTXEFCGVNTAPT-AWEZNQCLSA-N 0 3 358.442 1.900 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000298037993 184379408 /nfs/dbraw/zinc/37/94/08/184379408.db2.gz SZIREPDTIPRZQE-OAHLLOKOSA-N 0 3 350.419 1.283 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000172614326 258280605 /nfs/dbraw/zinc/28/06/05/258280605.db2.gz XMWWQBDHZASSPQ-YPMHNXCESA-N 0 3 369.443 1.553 20 5 FDBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000550174968 543028832 /nfs/dbraw/zinc/02/88/32/543028832.db2.gz NDJGAOYZIJKEFQ-ZDUSSCGKSA-N 0 3 365.411 1.416 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173286519 258295326 /nfs/dbraw/zinc/29/53/26/258295326.db2.gz VVKKGQVAMDDTJQ-KRWDZBQOSA-N 0 3 360.458 1.766 20 5 FDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000552099980 543417929 /nfs/dbraw/zinc/41/79/29/543417929.db2.gz ZIYOOBDNTLKILK-NWDGAFQWSA-N 0 3 369.443 1.867 20 5 FDBDHN Nc1nccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553129463 543574261 /nfs/dbraw/zinc/57/42/61/543574261.db2.gz ZSFGZLUTUXPWQW-AWEZNQCLSA-N 0 3 355.398 1.966 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000074357692 172078903 /nfs/dbraw/zinc/07/89/03/172078903.db2.gz LPKIXGBWMNCOLG-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN CCCNC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090559266 172266544 /nfs/dbraw/zinc/26/65/44/172266544.db2.gz GSAAZFZCWQJHFC-UHFFFAOYSA-N 0 3 350.419 1.575 20 5 FDBDHN Cc1sc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000102165335 172347145 /nfs/dbraw/zinc/34/71/45/172347145.db2.gz AILPRGSXMAWDCV-GFCCVEGCSA-N 0 3 366.443 1.519 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000126893085 173057665 /nfs/dbraw/zinc/05/76/65/173057665.db2.gz QTCWURMDCTZZNN-UHFFFAOYSA-N 0 3 372.429 1.318 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000127539427 173081109 /nfs/dbraw/zinc/08/11/09/173081109.db2.gz FTYZXFJPQMIXBW-GUTXKFCHSA-N 0 3 362.430 1.654 20 5 FDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000130792958 173180485 /nfs/dbraw/zinc/18/04/85/173180485.db2.gz VXUWCVMZNWZWNZ-UHFFFAOYSA-N 0 3 363.155 1.491 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133554195 173268568 /nfs/dbraw/zinc/26/85/68/173268568.db2.gz XYZJRFKSQHOAAD-MNOVXSKESA-N 0 3 354.432 1.540 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000137534276 173371638 /nfs/dbraw/zinc/37/16/38/173371638.db2.gz UGJIWRNKJCYNOE-GOEBONIOSA-N 0 3 357.414 1.961 20 5 FDBDHN Cc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177060603 174103875 /nfs/dbraw/zinc/10/38/75/174103875.db2.gz PCXQQFIMKOLRAK-AAEUAGOBSA-N 0 3 370.413 1.839 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000177543502 174139816 /nfs/dbraw/zinc/13/98/16/174139816.db2.gz LTYAGOXBPDSKKT-HNNXBMFYSA-N 0 3 353.444 1.985 20 5 FDBDHN O=C1CCCN1C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179569286 258353959 /nfs/dbraw/zinc/35/39/59/258353959.db2.gz ZNRVCTLBXPKCIR-IAGOWNOFSA-N 0 3 373.413 1.106 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000180161208 258363590 /nfs/dbraw/zinc/36/35/90/258363590.db2.gz DEOQDGJRTNEZNP-RDJZCZTQSA-N 0 3 367.471 1.883 20 5 FDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000553960509 543725335 /nfs/dbraw/zinc/72/53/35/543725335.db2.gz BHGSXSMOPZLECF-JKSUJKDBSA-N 0 3 365.430 1.573 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000554028335 543735904 /nfs/dbraw/zinc/73/59/04/543735904.db2.gz GALWYDZTCXGRQJ-HIFRSBDPSA-N 0 3 374.441 1.685 20 5 FDBDHN Cc1nn(CCC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000554128387 543750153 /nfs/dbraw/zinc/75/01/53/543750153.db2.gz JENDIFWFURUNKV-XJKCOSOUSA-N 0 3 363.462 1.987 20 5 FDBDHN COc1ccc(CC(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000554616289 543837977 /nfs/dbraw/zinc/83/79/77/543837977.db2.gz IDAYXJFHKGTJAF-UHFFFAOYSA-N 0 3 364.446 1.288 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000558033525 544376132 /nfs/dbraw/zinc/37/61/32/544376132.db2.gz QBDXDJNWIAUSSX-SUMWQHHRSA-N 0 3 364.450 1.381 20 5 FDBDHN COC(=O)COc1ccc(CNCCc2nccnc2C)cc1[N+](=O)[O-] ZINC000559334779 544647657 /nfs/dbraw/zinc/64/76/57/544647657.db2.gz JXAMIZMBKGXJGU-UHFFFAOYSA-N 0 3 360.370 1.577 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301615164 259030810 /nfs/dbraw/zinc/03/08/10/259030810.db2.gz IUSDOPBWLFAQJE-LBPRGKRZSA-N 0 3 363.418 1.364 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330454891 259145502 /nfs/dbraw/zinc/14/55/02/259145502.db2.gz NLFASMNFDVHTOI-VXGBXAGGSA-N 0 3 359.452 1.162 20 5 FDBDHN CC(C)c1ccc(CNCC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000330539385 259149667 /nfs/dbraw/zinc/14/96/67/259149667.db2.gz QUOXEJPJFSCMTH-UHFFFAOYSA-N 0 3 356.444 1.748 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330961814 259171371 /nfs/dbraw/zinc/17/13/71/259171371.db2.gz PEGZTTMFWXJYJI-YUTCNCBUSA-N 0 3 366.466 1.768 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000331298379 259186589 /nfs/dbraw/zinc/18/65/89/259186589.db2.gz NZULWBJDLOERJL-AWEZNQCLSA-N 0 3 370.475 1.208 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000332137320 259244576 /nfs/dbraw/zinc/24/45/76/259244576.db2.gz KXMPNCGFHHLDCT-UBHSHLNASA-N 0 3 364.450 1.522 20 5 FDBDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@H](C)O1 ZINC000332483109 259269971 /nfs/dbraw/zinc/26/99/71/259269971.db2.gz CDNHEDGUSCSYSC-STQMWFEESA-N 0 3 365.434 1.669 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000332641961 259285254 /nfs/dbraw/zinc/28/52/54/259285254.db2.gz AWSJANUBOXPQNO-QWRGUYRKSA-N 0 3 354.432 1.327 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363942371 259687513 /nfs/dbraw/zinc/68/75/13/259687513.db2.gz AKQXGRBMPXLBSI-RYUDHWBXSA-N 0 3 371.796 1.909 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000364923896 259796275 /nfs/dbraw/zinc/79/62/75/259796275.db2.gz RYFPINWLPQFCIO-AWEZNQCLSA-N 0 3 350.419 1.312 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000366195160 259916216 /nfs/dbraw/zinc/91/62/16/259916216.db2.gz KYHOPUNZCDERQE-OAHLLOKOSA-N 0 3 362.430 1.766 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000367488361 260049770 /nfs/dbraw/zinc/04/97/70/260049770.db2.gz AFOKKUMKUAPZGR-CZUORRHYSA-N 0 3 363.414 1.530 20 5 FDBDHN O=C(CCN1CCN2CCOC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368424636 260181116 /nfs/dbraw/zinc/18/11/16/260181116.db2.gz MPQKMMXCGNPLQU-CYBMUJFWSA-N 0 3 352.366 1.079 20 5 FDBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000368754498 260232158 /nfs/dbraw/zinc/23/21/58/260232158.db2.gz VENPQAFZZJMIDR-GOSISDBHSA-N 0 3 359.430 1.397 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368971921 260270350 /nfs/dbraw/zinc/27/03/50/260270350.db2.gz DRKJVVFDHHFIFC-JDFRZJQESA-N 0 3 360.414 1.818 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000368996973 260274706 /nfs/dbraw/zinc/27/47/06/260274706.db2.gz YOWQNOWANDOUAP-IBGZPJMESA-N 0 3 357.410 1.826 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000374062608 261072736 /nfs/dbraw/zinc/07/27/36/261072736.db2.gz AKDUANHFMPHISA-YESZJQIVSA-N 0 3 374.397 1.041 20 5 FDBDHN CCc1nn(C)c(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374256251 261100843 /nfs/dbraw/zinc/10/08/43/261100843.db2.gz NCPZWUJJVYOZHG-CYBMUJFWSA-N 0 3 350.467 1.495 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374556202 261153080 /nfs/dbraw/zinc/15/30/80/261153080.db2.gz JWGATFZMHOWXRN-MSOLQXFVSA-N 0 3 360.414 1.178 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000374806885 261201162 /nfs/dbraw/zinc/20/11/62/261201162.db2.gz NSZRGUQJLODIJW-UMVBOHGHSA-N 0 3 362.430 1.796 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374829003 261206079 /nfs/dbraw/zinc/20/60/79/261206079.db2.gz ZUGMCPKFWGGANX-UHFFFAOYSA-N 0 3 353.398 1.026 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375038513 261255091 /nfs/dbraw/zinc/25/50/91/261255091.db2.gz LJUUDOGFKGDHPL-IINYFYTJSA-N 0 3 364.358 1.820 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@H]21 ZINC000375060173 261259815 /nfs/dbraw/zinc/25/98/15/261259815.db2.gz LGJUKOGTZKKBNF-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN4CCOC[C@H]4C3)o2)c1 ZINC000375234354 261294679 /nfs/dbraw/zinc/29/46/79/261294679.db2.gz QGZVDLNIHMEMCX-MRXNPFEDSA-N 0 3 358.398 1.809 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375354784 261321496 /nfs/dbraw/zinc/32/14/96/261321496.db2.gz NWIOJCOQRGRLSV-BBRMVZONSA-N 0 3 366.805 1.834 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000378365315 262012392 /nfs/dbraw/zinc/01/23/92/262012392.db2.gz JJBXDHQOJKILKD-ZDUSSCGKSA-N 0 3 364.421 1.974 20 5 FDBDHN NC(=O)CCN(Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025303245 519051692 /nfs/dbraw/zinc/05/16/92/519051692.db2.gz UBPIFXPAXSNYCC-QGZVFWFLSA-N 0 3 373.409 1.712 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000026218749 519107927 /nfs/dbraw/zinc/10/79/27/519107927.db2.gz SABMRMDJZQVJSR-UHFFFAOYSA-N 0 3 350.375 1.129 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000027740063 519194842 /nfs/dbraw/zinc/19/48/42/519194842.db2.gz ZWHUIGCELJJZCJ-LBPRGKRZSA-N 0 3 374.397 1.181 20 5 FDBDHN CCN1CCC(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000029608673 519302307 /nfs/dbraw/zinc/30/23/07/519302307.db2.gz DGWAOGAMTLMQIO-UHFFFAOYSA-N 0 3 358.402 1.698 20 5 FDBDHN CCCNC(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000042686965 521762550 /nfs/dbraw/zinc/76/25/50/521762550.db2.gz WVQBSHSMOWLIDI-MRXNPFEDSA-N 0 3 365.430 1.573 20 5 FDBDHN COc1cc(OCC(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000070783071 522032325 /nfs/dbraw/zinc/03/23/25/522032325.db2.gz JGRXZUMBNDBONF-UHFFFAOYSA-N 0 3 372.381 1.726 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000046947806 522397794 /nfs/dbraw/zinc/39/77/94/522397794.db2.gz WFOUFUUIEUMUEL-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN O=C(C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000065533020 522835164 /nfs/dbraw/zinc/83/51/64/522835164.db2.gz BAUWEOXRTKBECL-UHFFFAOYSA-N 0 3 363.414 1.544 20 5 FDBDHN Nc1nc(NCCCCN2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000076844610 523195813 /nfs/dbraw/zinc/19/58/13/523195813.db2.gz JPTPAYUXFIKAAP-UHFFFAOYSA-N 0 3 371.445 1.981 20 5 FDBDHN Cn1cc(CNC[C@H](O)C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076906785 523199360 /nfs/dbraw/zinc/19/93/60/523199360.db2.gz TYTQYHPASUPKID-KRWDZBQOSA-N 0 3 360.414 1.872 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067632390 523527513 /nfs/dbraw/zinc/52/75/13/523527513.db2.gz SJQVFIPYYRMYLM-QGZVFWFLSA-N 0 3 364.446 1.529 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCCCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000078616810 523619058 /nfs/dbraw/zinc/61/90/58/523619058.db2.gz KPOFWYXPAKZGFQ-UHFFFAOYSA-N 0 3 359.386 1.131 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068080598 523684208 /nfs/dbraw/zinc/68/42/08/523684208.db2.gz XKYHVYKPBAUBEO-UHFFFAOYSA-N 0 3 360.418 1.229 20 5 FDBDHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068222891 523734527 /nfs/dbraw/zinc/73/45/27/523734527.db2.gz IDKGMOWHASUKHC-DZGCQCFKSA-N 0 3 364.446 1.806 20 5 FDBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000135497520 524147474 /nfs/dbraw/zinc/14/74/74/524147474.db2.gz OWSIXPQHHOKGCS-UHFFFAOYSA-N 0 3 357.414 1.918 20 5 FDBDHN COCCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138591643 524261932 /nfs/dbraw/zinc/26/19/32/524261932.db2.gz SNHHVKTTWHRCTN-UHFFFAOYSA-N 0 3 353.444 1.914 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111581531 524302807 /nfs/dbraw/zinc/30/28/07/524302807.db2.gz QYBCGHOYVIVHTD-RYUDHWBXSA-N 0 3 366.443 1.471 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000173118871 524328040 /nfs/dbraw/zinc/32/80/40/524328040.db2.gz RMIDAVYOASYAIG-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN O=[N+]([O-])c1cc(F)c(NCCCCN2CCN(CCO)CC2)c(F)c1 ZINC000121732823 524344472 /nfs/dbraw/zinc/34/44/72/524344472.db2.gz WKIVQZTZJURQJT-UHFFFAOYSA-N 0 3 358.389 1.675 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 ZINC000173265135 524357699 /nfs/dbraw/zinc/35/76/99/524357699.db2.gz FUUGYSRIEZBVMH-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN COCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000143442655 524367988 /nfs/dbraw/zinc/36/79/88/524367988.db2.gz ZBNRSAZDMKMHJZ-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN CN(C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000121957030 524417883 /nfs/dbraw/zinc/41/78/83/524417883.db2.gz MRDBMDHUDPWYFU-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN COCCN1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000173644128 524427587 /nfs/dbraw/zinc/42/75/87/524427587.db2.gz UAOLBJRDGDNQEW-AWEZNQCLSA-N 0 3 364.446 1.931 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152220583 524816454 /nfs/dbraw/zinc/81/64/54/524816454.db2.gz GHRHPFZXVJJWSK-JSGCOSHPSA-N 0 3 361.406 1.027 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000152809204 525012791 /nfs/dbraw/zinc/01/27/91/525012791.db2.gz RGIOTCVJMMXVCB-CYBMUJFWSA-N 0 3 368.459 1.741 20 5 FDBDHN COCCCN(C)CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124776593 525074132 /nfs/dbraw/zinc/07/41/32/525074132.db2.gz YZZDRWFKWCVWJX-UHFFFAOYSA-N 0 3 350.419 1.631 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CCC[C@H]1CO ZINC000161717458 525158109 /nfs/dbraw/zinc/15/81/09/525158109.db2.gz XBFBKXKQQHISKM-HNNXBMFYSA-N 0 3 371.459 1.418 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000162363992 525248417 /nfs/dbraw/zinc/24/84/17/525248417.db2.gz ZEYVVWPSUYSHQV-HNNXBMFYSA-N 0 3 373.413 1.474 20 5 FDBDHN CNC(=O)[C@@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000117341054 525323675 /nfs/dbraw/zinc/32/36/75/525323675.db2.gz BJJCFJQQNDGGFU-GFCCVEGCSA-N 0 3 362.386 1.351 20 5 FDBDHN Cc1c(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000162819989 525323715 /nfs/dbraw/zinc/32/37/15/525323715.db2.gz JAIPXQCHUFCPMU-UHFFFAOYSA-N 0 3 350.419 1.888 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000118129610 525476566 /nfs/dbraw/zinc/47/65/66/525476566.db2.gz NPVZFUDCSNGDRV-SECBINFHSA-N 0 3 354.794 1.786 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000131002428 525819124 /nfs/dbraw/zinc/81/91/24/525819124.db2.gz QPAMHXBLFVPAEG-INIZCTEOSA-N 0 3 374.441 1.828 20 5 FDBDHN COCCCN1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000171124152 525859538 /nfs/dbraw/zinc/85/95/38/525859538.db2.gz CPKNYSWHRCYPID-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000108299152 525946723 /nfs/dbraw/zinc/94/67/23/525946723.db2.gz GKLQZJOXEWOJLL-CQSZACIVSA-N 0 3 356.386 1.390 20 5 FDBDHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000108337505 525955115 /nfs/dbraw/zinc/95/51/15/525955115.db2.gz FIIQKCZBODEDAU-ZDUSSCGKSA-N 0 3 358.402 1.556 20 5 FDBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000181960861 525997842 /nfs/dbraw/zinc/99/78/42/525997842.db2.gz XRODTLACHFOPFA-OAHLLOKOSA-N 0 3 371.397 1.878 20 5 FDBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000109312063 526106880 /nfs/dbraw/zinc/10/68/80/526106880.db2.gz USIWVAVOLBUNOH-CQSZACIVSA-N 0 3 362.430 1.561 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000109621802 526140648 /nfs/dbraw/zinc/14/06/48/526140648.db2.gz DHPSTDPXQAQHAM-UHFFFAOYSA-N 0 3 353.423 1.501 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171908361 526179131 /nfs/dbraw/zinc/17/91/31/526179131.db2.gz FNUMWYYDUMASPJ-OAHLLOKOSA-N 0 3 350.419 1.847 20 5 FDBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000183008497 535903083 /nfs/dbraw/zinc/90/30/83/535903083.db2.gz OHJWMOVENIQKMA-CQSZACIVSA-N 0 3 353.404 1.180 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000183120222 535923251 /nfs/dbraw/zinc/92/32/51/535923251.db2.gz YKVOZSYFXSJCKL-CYBMUJFWSA-N 0 3 362.430 1.481 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183443124 535982142 /nfs/dbraw/zinc/98/21/42/535982142.db2.gz LETAWQCCOJNEOF-QGZVFWFLSA-N 0 3 370.409 1.795 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000183615077 536014999 /nfs/dbraw/zinc/01/49/99/536014999.db2.gz JPJGPHLTPABVMB-CQSZACIVSA-N 0 3 362.430 1.433 20 5 FDBDHN Cc1c(C(=O)N(C)CCN(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000186750105 536243178 /nfs/dbraw/zinc/24/31/78/536243178.db2.gz RHACNLITECZYHG-UHFFFAOYSA-N 0 3 358.402 1.650 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000247451598 537119869 /nfs/dbraw/zinc/11/98/69/537119869.db2.gz ZLWLOGWOVLTZTL-GJZGRUSLSA-N 0 3 370.413 1.732 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000247451604 537119878 /nfs/dbraw/zinc/11/98/78/537119878.db2.gz ZLWLOGWOVLTZTL-LSDHHAIUSA-N 0 3 370.413 1.732 20 5 FDBDHN COc1ccc(OCCN2CCN(CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000189955730 537120922 /nfs/dbraw/zinc/12/09/22/537120922.db2.gz DXHDPUDMXVKDDP-CQSZACIVSA-N 0 3 367.446 1.759 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190063573 537133852 /nfs/dbraw/zinc/13/38/52/537133852.db2.gz RMRSWWDULHRLIK-CQSZACIVSA-N 0 3 373.475 1.847 20 5 FDBDHN CCOc1ccc([C@@H](C)NCC2CN(S(=O)(=O)CC)C2)cc1[N+](=O)[O-] ZINC000190682541 537182972 /nfs/dbraw/zinc/18/29/72/537182972.db2.gz VZABHPREAUDPSM-GFCCVEGCSA-N 0 3 371.459 1.926 20 5 FDBDHN COc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191704535 537210912 /nfs/dbraw/zinc/21/09/12/537210912.db2.gz SLYKWLASJNADJK-ZDUSSCGKSA-N 0 3 364.446 1.525 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1Cn1ccnn1 ZINC000363670417 537271568 /nfs/dbraw/zinc/27/15/68/537271568.db2.gz JRMHFNOOXKWGHS-CABCVRRESA-N 0 3 361.402 1.481 20 5 FDBDHN COC[C@@H](O)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272511080 537290442 /nfs/dbraw/zinc/29/04/42/537290442.db2.gz WXXILSZYBLDWAF-NSHDSACASA-N 0 3 364.345 1.734 20 5 FDBDHN Cc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000363712514 537293861 /nfs/dbraw/zinc/29/38/61/537293861.db2.gz UJRKWEXIMZMNIZ-OAHLLOKOSA-N 0 3 360.414 1.458 20 5 FDBDHN COc1cc(CNCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000282266689 537294153 /nfs/dbraw/zinc/29/41/53/537294153.db2.gz HLDXJOSMOQAZJI-UHFFFAOYSA-N 0 3 366.462 1.728 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000194840400 537338651 /nfs/dbraw/zinc/33/86/51/537338651.db2.gz MCHQPSJPEOQQBR-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000288258973 537472049 /nfs/dbraw/zinc/47/20/49/537472049.db2.gz GMEINWFJFVRYFM-UKRRQHHQSA-N 0 3 370.413 1.874 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000275840162 537581959 /nfs/dbraw/zinc/58/19/59/537581959.db2.gz ACUSFIFUKJDACY-UHFFFAOYSA-N 0 3 350.375 1.095 20 5 FDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237209793 537618196 /nfs/dbraw/zinc/61/81/96/537618196.db2.gz WAOKLVIHWSETGA-QMMMGPOBSA-N 0 3 355.338 1.747 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293918273 537625965 /nfs/dbraw/zinc/62/59/65/537625965.db2.gz IGRCGFUAQCUCLI-IBGZPJMESA-N 0 3 374.441 1.577 20 5 FDBDHN C[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCCN1 ZINC000237797849 537640643 /nfs/dbraw/zinc/64/06/43/537640643.db2.gz JYOHMGZGOCZFHN-MRXNPFEDSA-N 0 3 366.443 1.473 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000291962019 537693818 /nfs/dbraw/zinc/69/38/18/537693818.db2.gz WQNDFVBPQQAJFK-RHSMWYFYSA-N 0 3 370.409 1.536 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1OCCc2sccc21 ZINC000292418684 537734847 /nfs/dbraw/zinc/73/48/47/537734847.db2.gz MPHAPZNFFCNEPE-WBIUFABUSA-N 0 3 352.416 1.506 20 5 FDBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285760832 537756405 /nfs/dbraw/zinc/75/64/05/537756405.db2.gz IQUUQRYUKCAMGR-OAHLLOKOSA-N 0 3 359.386 1.893 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416466266 537854509 /nfs/dbraw/zinc/85/45/09/537854509.db2.gz AHAQVDAHAYIQRZ-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000444268565 538139511 /nfs/dbraw/zinc/13/95/11/538139511.db2.gz NWVSDGZXDSEUNL-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000450777260 538157380 /nfs/dbraw/zinc/15/73/80/538157380.db2.gz SHHWWQNGDUHFES-MRXNPFEDSA-N 0 3 361.446 1.760 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)COCC(F)(F)F)C2)nc1 ZINC000432777649 538177444 /nfs/dbraw/zinc/17/74/44/538177444.db2.gz BUICACWIMZFLDY-CMPLNLGQSA-N 0 3 364.324 1.416 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424221974 538259578 /nfs/dbraw/zinc/25/95/78/538259578.db2.gz DIBNLXJZERCEOT-JKSUJKDBSA-N 0 3 357.414 1.559 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420467244 538299644 /nfs/dbraw/zinc/29/96/44/538299644.db2.gz CKSQBWSOHVSXAO-GOEBONIOSA-N 0 3 365.386 1.849 20 5 FDBDHN C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424452140 538305089 /nfs/dbraw/zinc/30/50/89/538305089.db2.gz GKNHCMKFSJWSKY-XFBWCDHKSA-N 0 3 358.402 1.526 20 5 FDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000447241517 538359874 /nfs/dbraw/zinc/35/98/74/538359874.db2.gz ARGGNEZQDOGDNS-NSHDSACASA-N 0 3 364.221 1.373 20 5 FDBDHN CCN1CCN(CCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000461397987 538514770 /nfs/dbraw/zinc/51/47/70/538514770.db2.gz DSAYIBDFRKFBNK-UHFFFAOYSA-N 0 3 362.430 1.343 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000457963199 538533619 /nfs/dbraw/zinc/53/36/19/538533619.db2.gz RDLBWJVXIRDZFQ-MRXNPFEDSA-N 0 3 350.419 1.283 20 5 FDBDHN CNc1nc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000454902354 538631814 /nfs/dbraw/zinc/63/18/14/538631814.db2.gz KPQKSMSVSMMGMK-CQSZACIVSA-N 0 3 357.414 1.934 20 5 FDBDHN O=C(CNC1(CCO)CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000474269410 538831849 /nfs/dbraw/zinc/83/18/49/538831849.db2.gz MCGOYGPXERXIIM-UHFFFAOYSA-N 0 3 365.386 1.937 20 5 FDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000561786458 545952541 /nfs/dbraw/zinc/95/25/41/545952541.db2.gz GQGFMWSNXIPGDY-OAHLLOKOSA-N 0 3 367.471 1.931 20 5 FDBDHN NC(=O)c1ccnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000562240162 546065845 /nfs/dbraw/zinc/06/58/45/546065845.db2.gz PBCIJSSZRSPOQY-GOSISDBHSA-N 0 3 371.397 1.138 20 5 FDBDHN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](N)c1ccccc1 ZINC000563057334 546375412 /nfs/dbraw/zinc/37/54/12/546375412.db2.gz NTXLPNUOAJMTTP-RDTXWAMCSA-N 0 3 369.425 1.975 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2N2CCCCC2)c1 ZINC000565654894 547434007 /nfs/dbraw/zinc/43/40/07/547434007.db2.gz YJNSBCNXURLQCI-QGZVFWFLSA-N 0 3 359.430 1.932 20 5 FDBDHN CC(C)(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000568382737 548514231 /nfs/dbraw/zinc/51/42/31/548514231.db2.gz JWVPXECQIOIMED-GFCCVEGCSA-N 0 3 360.432 1.137 20 5 FDBDHN COCCN1CCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571790179 549763939 /nfs/dbraw/zinc/76/39/39/549763939.db2.gz BPBNQKLOZQGOON-HNNXBMFYSA-N 0 3 371.459 1.069 20 5 FDBDHN COCCN(C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572383194 549902973 /nfs/dbraw/zinc/90/29/73/549902973.db2.gz XLJOSEVKJHJMCS-NSHDSACASA-N 0 3 359.810 1.710 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000574512190 550326439 /nfs/dbraw/zinc/32/64/39/550326439.db2.gz IHXKWOBTDHHOJD-ZDUSSCGKSA-N 0 3 374.319 1.840 20 5 FDBDHN CN(C)CCN(C)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000574549790 550332346 /nfs/dbraw/zinc/33/23/46/550332346.db2.gz FBRRXGCPPSMVCD-UHFFFAOYSA-N 0 3 364.493 1.355 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@H]1C(F)F ZINC000574877328 550385351 /nfs/dbraw/zinc/38/53/51/550385351.db2.gz MYMKFVPLMHXUGX-LBPRGKRZSA-N 0 3 358.345 1.471 20 5 FDBDHN Cc1nn(C)c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000575087846 550423571 /nfs/dbraw/zinc/42/35/71/550423571.db2.gz NRGULBAMMMXUFM-UHFFFAOYSA-N 0 3 360.418 1.626 20 5 FDBDHN CS(=O)(=O)CC1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000575175095 550439333 /nfs/dbraw/zinc/43/93/33/550439333.db2.gz FGMOOCVDHOHDLY-UHFFFAOYSA-N 0 3 369.443 1.728 20 5 FDBDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575752675 550472355 /nfs/dbraw/zinc/47/23/55/550472355.db2.gz OGZLOOBTMLAAOQ-CMPLNLGQSA-N 0 3 353.375 1.649 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000575934335 550492516 /nfs/dbraw/zinc/49/25/16/550492516.db2.gz KCBOUQUSJHTMBH-LLVKDONJSA-N 0 3 368.459 1.503 20 5 FDBDHN O=C(NCCNc1ccncc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577995798 550716911 /nfs/dbraw/zinc/71/69/11/550716911.db2.gz VWVAMZZJOVDHTM-UHFFFAOYSA-N 0 3 368.397 1.847 20 5 FDBDHN COCCN(C)C[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578335773 550753362 /nfs/dbraw/zinc/75/33/62/550753362.db2.gz QTAXQYTXQGLEDG-FUHWJXTLSA-N 0 3 351.447 1.713 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000580728964 551012799 /nfs/dbraw/zinc/01/27/99/551012799.db2.gz IMEMFWVLTADZGU-SJCJKPOMSA-N 0 3 352.387 1.787 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000581169998 551059232 /nfs/dbraw/zinc/05/92/32/551059232.db2.gz KKKDOYTTYULWBN-GFCCVEGCSA-N 0 3 368.777 1.367 20 5 FDBDHN CCN(CC)CC[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000582807633 551269141 /nfs/dbraw/zinc/26/91/41/551269141.db2.gz IEGPFJGVEQWYPU-LBPRGKRZSA-N 0 3 359.448 1.503 20 5 FDBDHN CC(C)Oc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583272821 551328686 /nfs/dbraw/zinc/32/86/86/551328686.db2.gz WKAKNIOUYXNGQB-SFHVURJKSA-N 0 3 363.414 1.569 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000583478836 551357413 /nfs/dbraw/zinc/35/74/13/551357413.db2.gz CNIMSWDJUHVUJM-GFCCVEGCSA-N 0 3 364.402 1.390 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000583579115 551372153 /nfs/dbraw/zinc/37/21/53/551372153.db2.gz XGQYEMCIAFWWFR-IUODEOHRSA-N 0 3 357.432 1.420 20 5 FDBDHN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@H]1N1CCN(C)CC1 ZINC000588008988 551640393 /nfs/dbraw/zinc/64/03/93/551640393.db2.gz WWPVSVLCCQLNAQ-SUMWQHHRSA-N 0 3 363.462 1.132 20 5 FDBDHN CCC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1CCOC ZINC000588009522 551640603 /nfs/dbraw/zinc/64/06/03/551640603.db2.gz QZVHGKJBJYLQDF-CQSZACIVSA-N 0 3 352.435 1.606 20 5 FDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590445063 551785284 /nfs/dbraw/zinc/78/52/84/551785284.db2.gz MTCDYLIPXFDJFF-CABZTGNLSA-N 0 3 371.340 1.981 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590548771 551790990 /nfs/dbraw/zinc/79/09/90/551790990.db2.gz FXKSOIUBAIIWSL-NSHDSACASA-N 0 3 350.400 1.371 20 5 FDBDHN CC[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590646165 551801328 /nfs/dbraw/zinc/80/13/28/551801328.db2.gz XZMFKCWSFQBJHJ-OLZOCXBDSA-N 0 3 357.432 1.420 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590806554 551818835 /nfs/dbraw/zinc/81/88/35/551818835.db2.gz PVSKBAKHGQQSKO-OAHLLOKOSA-N 0 3 374.445 1.306 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000591984906 551923461 /nfs/dbraw/zinc/92/34/61/551923461.db2.gz JUCBLRNQZONEEU-VIFPVBQESA-N 0 3 361.324 1.565 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592248833 551967180 /nfs/dbraw/zinc/96/71/80/551967180.db2.gz BMVHDMXGAFFAJX-NSHDSACASA-N 0 3 365.390 1.187 20 5 FDBDHN O=C(CCN[C@H]1CCCc2c1cnn2CCO)Nc1ccccc1[N+](=O)[O-] ZINC000592430009 551994359 /nfs/dbraw/zinc/99/43/59/551994359.db2.gz YBDWLLWOOMBMMQ-AWEZNQCLSA-N 0 3 373.413 1.779 20 5 FDBDHN COc1cc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000592525577 552004890 /nfs/dbraw/zinc/00/48/90/552004890.db2.gz RTCZBEABVFQZLP-GFCCVEGCSA-N 0 3 366.418 1.164 20 5 FDBDHN CCCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592830535 552033305 /nfs/dbraw/zinc/03/33/05/552033305.db2.gz HCIQEOUMSPAGDP-INIZCTEOSA-N 0 3 362.430 1.657 20 5 FDBDHN COc1ccc(OCCN2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1 ZINC000593075887 552058635 /nfs/dbraw/zinc/05/86/35/552058635.db2.gz IAOJWCJAFNJZEG-UHFFFAOYSA-N 0 3 361.402 1.986 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCN(C)C2CC2)c1 ZINC000593421864 552106137 /nfs/dbraw/zinc/10/61/37/552106137.db2.gz YQZGTJDMNNIALP-UHFFFAOYSA-N 0 3 357.414 1.972 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000593426819 552106784 /nfs/dbraw/zinc/10/67/84/552106784.db2.gz NWLKQJIYJJOUQM-MRXNPFEDSA-N 0 3 365.405 1.990 20 5 FDBDHN CN(C)CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000593485730 552116175 /nfs/dbraw/zinc/11/61/75/552116175.db2.gz BTIHMVTVYBRUCN-UHFFFAOYSA-N 0 3 360.336 1.824 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000593495847 552117484 /nfs/dbraw/zinc/11/74/84/552117484.db2.gz KWUDCOIMDBXZFV-IRXDYDNUSA-N 0 3 355.398 1.865 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000593883568 552216309 /nfs/dbraw/zinc/21/63/09/552216309.db2.gz OPXVDVZWVNEOJF-UHFFFAOYSA-N 0 3 358.402 1.733 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000593905369 552222765 /nfs/dbraw/zinc/22/27/65/552222765.db2.gz QRULNCPHVARIHG-KBPBESRZSA-N 0 3 357.414 1.970 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000594452655 552313785 /nfs/dbraw/zinc/31/37/85/552313785.db2.gz SMMXAKPMFGRCDB-GFCCVEGCSA-N 0 3 371.319 1.767 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000594694223 552356468 /nfs/dbraw/zinc/35/64/68/552356468.db2.gz HFMXQVMZIFTNRO-NXEZZACHSA-N 0 3 355.192 1.106 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H](N2CCCC2)CC1 ZINC000594760944 552374075 /nfs/dbraw/zinc/37/40/75/552374075.db2.gz AAXDDKWDEOENAB-ZDUSSCGKSA-N 0 3 354.432 1.629 20 5 FDBDHN C[C@@H](CSCCF)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595020232 552438332 /nfs/dbraw/zinc/43/83/32/552438332.db2.gz WLGZRENCDJWBNB-NSHDSACASA-N 0 3 365.452 1.554 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(OCCO)CCOCC1 ZINC000595038277 552440771 /nfs/dbraw/zinc/44/07/71/552440771.db2.gz IPUHWOQVRCCENY-ZDUSSCGKSA-N 0 3 354.403 1.812 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595275171 552510044 /nfs/dbraw/zinc/51/00/44/552510044.db2.gz ILLBXEDYJIVHID-UHFFFAOYSA-N 0 3 372.385 1.423 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595364548 552537592 /nfs/dbraw/zinc/53/75/92/552537592.db2.gz GSBRLLVXJQFYTH-UHFFFAOYSA-N 0 3 352.410 1.624 20 5 FDBDHN NC(=O)c1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000595596137 552590427 /nfs/dbraw/zinc/59/04/27/552590427.db2.gz KHPQWHRDOWCHDJ-INIZCTEOSA-N 0 3 363.414 1.351 20 5 FDBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595659663 552598308 /nfs/dbraw/zinc/59/83/08/552598308.db2.gz BYJFFSOVAYWHEE-SWLSCSKDSA-N 0 3 351.359 1.152 20 5 FDBDHN COc1cccc([C@]2(C)CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595765397 552612743 /nfs/dbraw/zinc/61/27/43/552612743.db2.gz KQPFVEPPTOHQHO-SJLPKXTDSA-N 0 3 360.414 1.824 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595848359 552622837 /nfs/dbraw/zinc/62/28/37/552622837.db2.gz HNVMRAQNHXSRIH-BJHJDKERSA-N 0 3 365.386 1.815 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000595949666 552637253 /nfs/dbraw/zinc/63/72/53/552637253.db2.gz YSBWBHSFEPRFMA-UHFFFAOYSA-N 0 3 358.358 1.053 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000596541674 552687528 /nfs/dbraw/zinc/68/75/28/552687528.db2.gz CZNQDPDMJXIJQC-KBPBESRZSA-N 0 3 356.810 1.107 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597049828 552739507 /nfs/dbraw/zinc/73/95/07/552739507.db2.gz YMYODLDPPUZJTJ-WFASDCNBSA-N 0 3 355.416 1.030 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000597402730 552784973 /nfs/dbraw/zinc/78/49/73/552784973.db2.gz UKQFXXQDHDCQCV-HNNXBMFYSA-N 0 3 374.441 1.686 20 5 FDBDHN CCOc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597695069 552823313 /nfs/dbraw/zinc/82/33/13/552823313.db2.gz POVPDHOJKIZWIX-GDBMZVCRSA-N 0 3 363.414 1.929 20 5 FDBDHN Nc1c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000597990251 552853130 /nfs/dbraw/zinc/85/31/30/552853130.db2.gz JZVBWMSEJHZBAL-HNNXBMFYSA-N 0 3 370.409 1.674 20 5 FDBDHN CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598042545 552860034 /nfs/dbraw/zinc/86/00/34/552860034.db2.gz PMXYCKHBSYLYFL-CZUORRHYSA-N 0 3 362.430 1.656 20 5 FDBDHN C[C@@H](CN1CCCCC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589174 552912101 /nfs/dbraw/zinc/91/21/01/552912101.db2.gz DTURIXUSWVEEBB-ZDUSSCGKSA-N 0 3 350.423 1.508 20 5 FDBDHN CCN1CCCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596641 552913193 /nfs/dbraw/zinc/91/31/93/552913193.db2.gz QXLCQNPDUPTYCA-ZDUSSCGKSA-N 0 3 350.423 1.508 20 5 FDBDHN CN1CCC[C@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598627551 552918027 /nfs/dbraw/zinc/91/80/27/552918027.db2.gz CJOWFXFEVVBTHJ-KRWDZBQOSA-N 0 3 362.434 1.144 20 5 FDBDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598831216 552935641 /nfs/dbraw/zinc/93/56/41/552935641.db2.gz IJNCNGLSTJJZRW-WDEREUQCSA-N 0 3 363.292 1.937 20 5 FDBDHN CCCN(C)CC(C)(C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000598888079 552939487 /nfs/dbraw/zinc/93/94/87/552939487.db2.gz FPYUPMMDCCCDOV-UHFFFAOYSA-N 0 3 371.459 1.849 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217462 552989908 /nfs/dbraw/zinc/98/99/08/552989908.db2.gz FWSWOQNTFFAXJR-UPJWGTAASA-N 0 3 371.463 1.354 20 5 FDBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599632293 553108575 /nfs/dbraw/zinc/10/85/75/553108575.db2.gz XANKVFDLGONMTB-JPMUSVJPSA-N 0 3 351.428 1.909 20 5 FDBDHN CN(C)CCOCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599738109 553134463 /nfs/dbraw/zinc/13/44/63/553134463.db2.gz QJOCNUDDFKOLLG-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939052 553178980 /nfs/dbraw/zinc/17/89/80/553178980.db2.gz GEQMZLTZXQQCRM-LSDHHAIUSA-N 0 3 363.414 1.663 20 5 FDBDHN CN(C)CCN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600965836 553332179 /nfs/dbraw/zinc/33/21/79/553332179.db2.gz VUHPPWXMWFGNLU-UHFFFAOYSA-N 0 3 360.458 1.722 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601312865 553374186 /nfs/dbraw/zinc/37/41/86/553374186.db2.gz MYPCAAKCCXJXBT-AWEZNQCLSA-N 0 3 364.421 1.974 20 5 FDBDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604306623 553860549 /nfs/dbraw/zinc/86/05/49/553860549.db2.gz ZZJQWQKGTVSDEK-DZGCQCFKSA-N 0 3 352.387 1.752 20 5 FDBDHN CCN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609522556 554387010 /nfs/dbraw/zinc/38/70/10/554387010.db2.gz ZYCQWULHFNTEBX-ZDUSSCGKSA-N 0 3 364.402 1.347 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000611185933 554613311 /nfs/dbraw/zinc/61/33/11/554613311.db2.gz RETYWXMRQPJZIH-QGZVFWFLSA-N 0 3 353.382 1.984 20 5 FDBDHN CC(C)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000611395926 554630808 /nfs/dbraw/zinc/63/08/08/554630808.db2.gz ZFUCZYRIHBKGCB-RDJZCZTQSA-N 0 3 365.430 1.571 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000611843672 554689498 /nfs/dbraw/zinc/68/94/98/554689498.db2.gz YWKDSQSJXYVIIU-HNNXBMFYSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@H]1CN(CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000613076072 554879722 /nfs/dbraw/zinc/87/97/22/554879722.db2.gz CIMKQKKZXKZYHF-STQMWFEESA-N 0 3 352.435 1.971 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CO)(OC)CC1 ZINC000618551254 555648391 /nfs/dbraw/zinc/64/83/91/555648391.db2.gz RFRCPDJAADLLGY-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619480360 555784205 /nfs/dbraw/zinc/78/42/05/555784205.db2.gz GECUEOLTAGDTQM-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000619500048 555790321 /nfs/dbraw/zinc/79/03/21/555790321.db2.gz DJNWIXNUBBGEIQ-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271782769 674381382 /nfs/dbraw/zinc/38/13/82/674381382.db2.gz KDQDWBMWTBNKQX-DZGCQCFKSA-N 0 3 367.427 1.290 20 5 FDBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481708744 568090650 /nfs/dbraw/zinc/09/06/50/568090650.db2.gz BUZJGGHDWVRHRK-OAHLLOKOSA-N 0 3 373.413 1.904 20 5 FDBDHN C[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821621918 607304043 /nfs/dbraw/zinc/30/40/43/607304043.db2.gz LDZYGKJKWUBQOA-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN C[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821621918 607304044 /nfs/dbraw/zinc/30/40/44/607304044.db2.gz LDZYGKJKWUBQOA-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN COc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821809608 599434454 /nfs/dbraw/zinc/43/44/54/599434454.db2.gz PJDYJYBOYHLCQB-OAHLLOKOSA-N 0 3 370.369 1.607 20 5 FDBDHN COc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000821809608 599434455 /nfs/dbraw/zinc/43/44/55/599434455.db2.gz PJDYJYBOYHLCQB-OAHLLOKOSA-N 0 3 370.369 1.607 20 5 FDBDHN CC[C@H]1CCCCN1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272942591 674490826 /nfs/dbraw/zinc/49/08/26/674490826.db2.gz VXCAFCIQASZTSF-LBPRGKRZSA-N 0 3 356.448 1.919 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273561551 674548634 /nfs/dbraw/zinc/54/86/34/674548634.db2.gz BRWKRKQNZVIRSN-UHFFFAOYSA-N 0 3 359.448 1.574 20 5 FDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108618621 671616943 /nfs/dbraw/zinc/61/69/43/671616943.db2.gz VRUHZHUCXSXNMB-LBPRGKRZSA-N 0 3 366.805 1.787 20 5 FDBDHN COc1cccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192567200 672356046 /nfs/dbraw/zinc/35/60/46/672356046.db2.gz QVAZUMKOWAARAI-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245463283 672444852 /nfs/dbraw/zinc/44/48/52/672444852.db2.gz HCLHJSJSGFHOAS-GDDWWATRSA-N 0 3 366.443 1.583 20 5 FDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262455681 672792695 /nfs/dbraw/zinc/79/26/95/672792695.db2.gz LAJVEUKRICFWDP-MRVPVSSYSA-N 0 3 366.237 1.634 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000262767940 672845791 /nfs/dbraw/zinc/84/57/91/672845791.db2.gz UXFKVRNNGTZRKL-VIFPVBQESA-N 0 3 367.349 1.892 20 5 FDBDHN CCN1CCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279447146 675295435 /nfs/dbraw/zinc/29/54/35/675295435.db2.gz DXDKWFSFEFLTPK-UHFFFAOYSA-N 0 3 372.828 1.684 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000298196269 676439488 /nfs/dbraw/zinc/43/94/88/676439488.db2.gz RKUGAUAIKVORGW-UHFFFAOYSA-N 0 3 350.375 1.005 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411984378 679139530 /nfs/dbraw/zinc/13/95/30/679139530.db2.gz CXHNRZJMBVOMTG-GUTXKFCHSA-N 0 3 351.403 1.607 20 5 FDBDHN CC(C)(CN1CCOCC1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412003215 679141336 /nfs/dbraw/zinc/14/13/36/679141336.db2.gz OYNYBCUXHIPVOE-UHFFFAOYSA-N 0 3 370.837 1.887 20 5 FDBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429325889 681031836 /nfs/dbraw/zinc/03/18/36/681031836.db2.gz GXBKWPMDAHQZBK-QWRGUYRKSA-N 0 3 371.415 1.127 20 5 FDBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452022149 683004658 /nfs/dbraw/zinc/00/46/58/683004658.db2.gz PGOZBYMQOFHWGS-ZWNOBZJWSA-N 0 3 351.359 1.809 20 5 FDBDHN CNc1nc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000455510641 683462424 /nfs/dbraw/zinc/46/24/24/683462424.db2.gz HAMUFEKNUMGWSP-LBPRGKRZSA-N 0 3 351.407 1.214 20 5 FDBDHN Cc1c(CNC(=O)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000458703729 684307697 /nfs/dbraw/zinc/30/76/97/684307697.db2.gz ZXZQNQXWFABRSV-HNNXBMFYSA-N 0 3 350.419 1.549 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000460213139 684521441 /nfs/dbraw/zinc/52/14/41/684521441.db2.gz DCKQTLUKPVQXFS-OAHLLOKOSA-N 0 3 356.810 1.157 20 5 FDBDHN O=C(NCCN1CCCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472564092 685220024 /nfs/dbraw/zinc/22/00/24/685220024.db2.gz MHNQDASYCXPPMU-UHFFFAOYSA-N 0 3 352.366 1.665 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164683158 719705573 /nfs/dbraw/zinc/70/55/73/719705573.db2.gz IUAKCDVKWCWNEB-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN Nc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164867208 721105129 /nfs/dbraw/zinc/10/51/29/721105129.db2.gz WXXMBSLXHGXKFW-CABCVRRESA-N 0 3 370.413 1.447 20 5 FDBDHN CCN1CCN(CCNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000255066884 772124212 /nfs/dbraw/zinc/12/42/12/772124212.db2.gz LGWJMYLKJSKGMY-ALCCZGGFSA-N 0 3 362.430 1.830 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255370861 778525217 /nfs/dbraw/zinc/52/52/17/778525217.db2.gz WQPLBJXKBQKEKN-NCRRVARUSA-N 0 3 358.442 1.846 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000365116468 785284987 /nfs/dbraw/zinc/28/49/87/785284987.db2.gz ISZYCGGNYHCZQS-HNNXBMFYSA-N 0 3 361.446 1.398 20 5 FDBDHN COc1ccc(NC(=O)CNC(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000412005121 785947234 /nfs/dbraw/zinc/94/72/34/785947234.db2.gz UEYLCIRNZIZPGB-UHFFFAOYSA-N 0 3 366.418 1.242 20 5 FDBDHN COc1ccc([C@@H](O)[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000376493562 788048044 /nfs/dbraw/zinc/04/80/44/788048044.db2.gz WNOOFCKQPSFGOC-PKOBYXMFSA-N 0 3 373.409 1.963 20 5 FDBDHN COc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC001025775446 792009092 /nfs/dbraw/zinc/00/90/92/792009092.db2.gz AGRDEGAXIXNGET-NMQNIBJMSA-N 0 3 365.817 1.560 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377584560 792276302 /nfs/dbraw/zinc/27/63/02/792276302.db2.gz SJUIZCYCNIWLRU-GJZGRUSLSA-N 0 3 364.402 1.266 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000893104991 792980183 /nfs/dbraw/zinc/98/01/83/792980183.db2.gz AMJSQLNMGIUGEO-OAHLLOKOSA-N 0 3 355.398 1.806 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000893104990 792980337 /nfs/dbraw/zinc/98/03/37/792980337.db2.gz AMJSQLNMGIUGEO-HNNXBMFYSA-N 0 3 355.398 1.806 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000279009570 808066123 /nfs/dbraw/zinc/06/61/23/808066123.db2.gz HNNBSXDFDXNWIO-QGZVFWFLSA-N 0 3 372.425 1.506 20 5 FDBDHN COc1ccc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC000981764773 808450103 /nfs/dbraw/zinc/45/01/03/808450103.db2.gz CJEYWGKZWRVKRT-HUUCEWRRSA-N 0 3 360.414 1.180 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418755946 809187530 /nfs/dbraw/zinc/18/75/30/809187530.db2.gz CESJSQUMVAWMRA-MRXNPFEDSA-N 0 3 364.402 1.136 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292088936 810032906 /nfs/dbraw/zinc/03/29/06/810032906.db2.gz 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CC(C)NS(=O)(=O)NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447601876 828801486 /nfs/dbraw/zinc/80/14/86/828801486.db2.gz RPEJHQKCILTCGR-HNNXBMFYSA-N 0 3 356.448 1.394 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000475085079 826673464 /nfs/dbraw/zinc/67/34/64/826673464.db2.gz DGJLXIRQFJXDAN-MRXNPFEDSA-N 0 3 365.430 1.919 20 5 FDBDHN CCOc1cc(NC(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OCC ZINC000414757824 828294398 /nfs/dbraw/zinc/29/43/98/828294398.db2.gz LTODPEKTYXFARH-NSHDSACASA-N 0 3 368.390 1.502 20 5 FDBDHN CCN1CCN([C@H](C)CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450256212 829886927 /nfs/dbraw/zinc/88/69/27/829886927.db2.gz FYPHMNWCFFSRTF-CQSZACIVSA-N 0 3 364.446 1.748 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CCN1 ZINC000450892777 830169659 /nfs/dbraw/zinc/16/96/59/830169659.db2.gz PVMYBHQYIDKRFT-AWEZNQCLSA-N 0 3 369.425 1.934 20 5 FDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000452383561 830629772 /nfs/dbraw/zinc/62/97/72/830629772.db2.gz OWWAWJVGYPOZBF-CYBMUJFWSA-N 0 3 358.398 1.720 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000476037735 839479420 /nfs/dbraw/zinc/47/94/20/839479420.db2.gz APYODYBMXUEULU-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN CN1CCN(C)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000897854907 840514082 /nfs/dbraw/zinc/51/40/82/840514082.db2.gz ORUXVDHUJNLVRG-UHFFFAOYSA-N 0 3 350.419 1.045 20 5 FDBDHN CC(=O)N[C@H](C)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000481152133 846134508 /nfs/dbraw/zinc/13/45/08/846134508.db2.gz GVAHFTVIDFMBOH-CXAGYDPISA-N 0 3 365.430 1.571 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000482412493 847912236 /nfs/dbraw/zinc/91/22/36/847912236.db2.gz VYBGHUQCJSVHHL-UHFFFAOYSA-N 0 3 361.402 1.541 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912603857 859945260 /nfs/dbraw/zinc/94/52/60/859945260.db2.gz OUYUGTDXVFZZRQ-UHFFFAOYSA-N 0 3 374.235 1.662 20 5 FDBDHN COCC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000535443656 867674803 /nfs/dbraw/zinc/67/48/03/867674803.db2.gz UJSGJPFRNOLOLH-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN COc1ccc(CNC[C@@H](O)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000470362134 868776892 /nfs/dbraw/zinc/77/68/92/868776892.db2.gz IAQTWEGTXQAJFE-MRXNPFEDSA-N 0 3 362.382 1.625 20 5 FDBDHN COCCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761887201 874783710 /nfs/dbraw/zinc/78/37/10/874783710.db2.gz MDQYDHYBGJXLNC-UHFFFAOYSA-N 0 3 350.375 1.448 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000389413414 878558129 /nfs/dbraw/zinc/55/81/29/878558129.db2.gz LUPRTYPUNLWLIL-MLGOLLRUSA-N 0 3 355.398 1.965 20 5 FDBDHN COc1cccc(CN2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000918355619 884359464 /nfs/dbraw/zinc/35/94/64/884359464.db2.gz QSZPRMZNXCUQNI-UHFFFAOYSA-N 0 3 373.413 1.581 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000731618929 918307033 /nfs/dbraw/zinc/30/70/33/918307033.db2.gz QCBYEOWTUHZLGM-LBPRGKRZSA-N 0 3 363.370 1.148 20 5 FDBDHN COc1cc(OC)nc(CN2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169023194 928245895 /nfs/dbraw/zinc/24/58/95/928245895.db2.gz DKMSWZUXCMZVPH-KGLIPLIRSA-N 0 3 365.434 1.057 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787996026 932508807 /nfs/dbraw/zinc/50/88/07/932508807.db2.gz PWPIFMASMMXNAO-ZYHUDNBSSA-N 0 3 354.794 1.691 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000788966915 932893136 /nfs/dbraw/zinc/89/31/36/932893136.db2.gz YXSKTVGKBPNKMV-AWEZNQCLSA-N 0 3 364.354 1.871 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747325608 939899079 /nfs/dbraw/zinc/89/90/79/939899079.db2.gz OMDDWFZDFXRBDO-ZIAGYGMSSA-N 0 3 351.428 1.666 20 5 FDBDHN CCN1C(=O)N=NC1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808739971 940598921 /nfs/dbraw/zinc/59/89/21/940598921.db2.gz DHKABILJXFHOEJ-HNNXBMFYSA-N 0 3 361.402 1.825 20 5 FDBDHN COC(=O)COc1c(C)cc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571755 940770379 /nfs/dbraw/zinc/77/03/79/940770379.db2.gz FDXLSEHENHCKLQ-SMDDNHRTSA-N 0 3 353.375 1.244 20 5 FDBDHN CC(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813101833 941325412 /nfs/dbraw/zinc/32/54/12/941325412.db2.gz JTHMCVQHNAUCBM-LBPRGKRZSA-N 0 3 356.400 1.683 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813104365 941326383 /nfs/dbraw/zinc/32/63/83/941326383.db2.gz ZGJXPYBWFFHYEO-MRVPVSSYSA-N 0 3 350.780 1.412 20 5 FDBDHN CC(COC(=O)c1cn(-c2ccccc2Br)nn1)[N+](=O)[O-] ZINC000813111065 941334535 /nfs/dbraw/zinc/33/45/35/941334535.db2.gz BRRRUEUKTAMVSQ-QMMMGPOBSA-N 0 3 355.148 1.852 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[N+](=O)[O-] ZINC000813115267 941336643 /nfs/dbraw/zinc/33/66/43/941336643.db2.gz OADJDIWKSMIBFH-DTWKUNHWSA-N 0 3 357.344 1.469 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000815704811 941946665 /nfs/dbraw/zinc/94/66/65/941946665.db2.gz QFDZZWOIZNXXED-WBMJQRKESA-N 0 3 374.441 1.993 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000817676337 942904461 /nfs/dbraw/zinc/90/44/61/942904461.db2.gz DWSWELCDIFZHAF-NSHDSACASA-N 0 3 352.366 1.859 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCNS(=O)(=O)c2cccs2)c1 ZINC000819182528 943465848 /nfs/dbraw/zinc/46/58/48/943465848.db2.gz FWERHFMFAIEFKV-ZDUSSCGKSA-N 0 3 371.440 1.258 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000819183770 943466474 /nfs/dbraw/zinc/46/64/74/943466474.db2.gz RPHWKDVDPLXISX-ZDUSSCGKSA-N 0 3 371.440 1.258 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc(N3CCOCC3)n2)cc1 ZINC000819242648 943479844 /nfs/dbraw/zinc/47/98/44/943479844.db2.gz MFIJLTNLFNSWNL-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819307693 943512064 /nfs/dbraw/zinc/51/20/64/943512064.db2.gz DHIGGQUPZYXPGH-CABCVRRESA-N 0 3 357.432 1.032 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000819309071 943512804 /nfs/dbraw/zinc/51/28/04/943512804.db2.gz KDYOQZLGTHXFKK-KGLIPLIRSA-N 0 3 363.336 1.481 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000820651037 944159236 /nfs/dbraw/zinc/15/92/36/944159236.db2.gz APSDBEXRASVKTG-UHFFFAOYSA-N 0 3 364.446 1.902 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000845630918 949714028 /nfs/dbraw/zinc/71/40/28/949714028.db2.gz WAZZGGBEDABTLY-UHFFFAOYSA-N 0 3 371.235 1.568 20 5 FDBDHN CC([C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875163 950047657 /nfs/dbraw/zinc/04/76/57/950047657.db2.gz LZECNCIRLPTXRF-NHYWBVRUSA-N 0 3 374.390 1.501 20 5 FDBDHN COC(=O)c1cnc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879375 950055052 /nfs/dbraw/zinc/05/50/52/950055052.db2.gz UOICKWLSEBOACJ-LKFCYVNXSA-N 0 3 363.301 1.966 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@]2(C)CCC(=O)NC2=O)c1F ZINC001173187427 961956535 /nfs/dbraw/zinc/95/65/35/961956535.db2.gz DCCQYOSPYZXFQA-FVMDXXJSSA-N 0 3 353.350 1.458 20 5 FDBDHN CNC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175363021 963167134 /nfs/dbraw/zinc/16/71/34/963167134.db2.gz ZWXKFBAGYUCVRL-ZDUSSCGKSA-N 0 3 363.418 1.707 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(CC)CC1(C)C ZINC001178861016 964534824 /nfs/dbraw/zinc/53/48/24/964534824.db2.gz QETIDBMXRLACNR-CHWSQXEVSA-N 0 3 366.466 1.674 20 5 FDBDHN CNC(=O)c1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001187497714 965444135 /nfs/dbraw/zinc/44/41/35/965444135.db2.gz RNRQJRHDRRXGFU-OAHLLOKOSA-N 0 3 356.382 1.811 20 5 FDBDHN CCN(Cc1ncc(C)cn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713010 1013853902 /nfs/dbraw/zinc/85/39/02/1013853902.db2.gz GFKCSEILKCHAKW-HZPDHXFCSA-N 0 3 361.446 1.511 20 5 FDBDHN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCN(C2CCC2)CC1 ZINC000794628096 973491297 /nfs/dbraw/zinc/49/12/97/973491297.db2.gz HMEBWULURBSJKR-UHFFFAOYSA-N 0 3 359.386 1.539 20 5 FDBDHN CN1CCN(C2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CC1 ZINC000866213876 975491651 /nfs/dbraw/zinc/49/16/51/975491651.db2.gz AZOKIDZXKRFZGQ-UHFFFAOYSA-N 0 3 373.457 1.696 20 5 FDBDHN CN1CCN(C2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000868075043 977261296 /nfs/dbraw/zinc/26/12/96/977261296.db2.gz CUUIVNFIPFEUDP-UHFFFAOYSA-N 0 3 361.446 1.516 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861715598 983864234 /nfs/dbraw/zinc/86/42/34/983864234.db2.gz NYHHGWDQSPSPOC-VXGBXAGGSA-N 0 3 371.796 1.597 20 5 FDBDHN CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862464081 984396902 /nfs/dbraw/zinc/39/69/02/984396902.db2.gz RVGVYNDEQOIUMW-KRWDZBQOSA-N 0 3 369.849 1.954 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000884960166 985005938 /nfs/dbraw/zinc/00/59/38/985005938.db2.gz SIZOEAFYDSJYPS-NEPJUHHUSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000884960166 985005950 /nfs/dbraw/zinc/00/59/50/985005950.db2.gz SIZOEAFYDSJYPS-NEPJUHHUSA-N 0 3 357.407 1.947 20 5 FDBDHN CN(CC(=O)NC[C@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885872835 985735448 /nfs/dbraw/zinc/73/54/48/985735448.db2.gz KVBDUKQDZNJADD-OAHLLOKOSA-N 0 3 362.430 1.401 20 5 FDBDHN COc1cnccc1N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796576957 1015329278 /nfs/dbraw/zinc/32/92/78/1015329278.db2.gz XJIRCXXADSQYDC-QGZVFWFLSA-N 0 3 358.398 1.854 20 5 FDBDHN CCOCC(C)(C)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293143909 987975273 /nfs/dbraw/zinc/97/52/73/987975273.db2.gz DEHVLIBJKRBWIS-UHFFFAOYSA-N 0 3 364.446 1.648 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366192907 988526063 /nfs/dbraw/zinc/52/60/63/988526063.db2.gz PXGLHEGGMNCDTG-OAHLLOKOSA-N 0 3 362.430 1.644 20 5 FDBDHN C[C@@]1(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000363498048 989247557 /nfs/dbraw/zinc/24/75/57/989247557.db2.gz CECLQINAIMFJDM-KRWDZBQOSA-N 0 3 362.386 1.284 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000370424141 989733397 /nfs/dbraw/zinc/73/33/97/989733397.db2.gz LXQUSVDDOVCVBZ-SFHVURJKSA-N 0 3 360.458 1.764 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000364888615 989867846 /nfs/dbraw/zinc/86/78/46/989867846.db2.gz MUGONYPARIZEJT-UHFFFAOYSA-N 0 3 373.461 2.094 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@H]1N1CCN(C)CC1 ZINC000371361214 990382767 /nfs/dbraw/zinc/38/27/67/990382767.db2.gz QVAJKDNFORNLID-UKRRQHHQSA-N 0 3 361.446 1.275 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000874832340 990557149 /nfs/dbraw/zinc/55/71/49/990557149.db2.gz DWXHIKINESSEOJ-BRWVUGGUSA-N 0 3 358.398 1.783 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372923088 991686041 /nfs/dbraw/zinc/68/60/41/991686041.db2.gz KHCRVSNEZWKLBW-UHFFFAOYSA-N 0 3 366.418 1.914 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000373174600 991976814 /nfs/dbraw/zinc/97/68/14/991976814.db2.gz BDXJSFAEDJQMCR-ZDUSSCGKSA-N 0 3 360.374 1.050 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000876471515 992631228 /nfs/dbraw/zinc/63/12/28/992631228.db2.gz NUMWSFOOIDJXKL-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000876473721 992641853 /nfs/dbraw/zinc/64/18/53/992641853.db2.gz RYKICCREILMWPW-INIZCTEOSA-N 0 3 373.356 1.292 20 5 FDBDHN COc1ccc(CNC[C@H](O)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000470362132 993992575 /nfs/dbraw/zinc/99/25/75/993992575.db2.gz IAQTWEGTXQAJFE-INIZCTEOSA-N 0 3 362.382 1.625 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879144391 994573239 /nfs/dbraw/zinc/57/32/39/994573239.db2.gz MJUNUOUKBSIZJO-FZMZJTMJSA-N 0 3 361.398 1.969 20 5 FDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889757968 998609536 /nfs/dbraw/zinc/60/95/36/998609536.db2.gz ZEWIEQUYKWLXPJ-SJORKVTESA-N 0 3 363.414 1.340 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889768394 998628001 /nfs/dbraw/zinc/62/80/01/998628001.db2.gz NCBFRBJJABWMMB-HZPDHXFCSA-N 0 3 367.833 1.848 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000826677133 998814005 /nfs/dbraw/zinc/81/40/05/998814005.db2.gz IYOGOHQQDXAPAL-LLVKDONJSA-N 0 3 361.402 1.036 20 5 FDBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267443659 999336886 /nfs/dbraw/zinc/33/68/86/999336886.db2.gz POGYKUXRPSMWMM-UKRRQHHQSA-N 0 3 366.414 1.998 20 5 FDBDHN CN(C)CCn1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270065564 999506673 /nfs/dbraw/zinc/50/66/73/999506673.db2.gz GAEFPHPKUWETPD-UHFFFAOYSA-N 0 3 360.370 1.336 20 5 FDBDHN COC(=O)c1cn(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000284311166 999804380 /nfs/dbraw/zinc/80/43/80/999804380.db2.gz JKVNRCDNHZUBLV-CQSZACIVSA-N 0 3 359.386 1.985 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932149931 1004795089 /nfs/dbraw/zinc/79/50/89/1004795089.db2.gz NEXZDTOHNGGEFU-OAHLLOKOSA-N 0 3 353.394 1.894 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000936010794 1006236094 /nfs/dbraw/zinc/23/60/94/1006236094.db2.gz MBLKQXFBNMZGFF-UHFFFAOYSA-N 0 3 360.418 1.475 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000507494774 538918057 /nfs/dbraw/zinc/91/80/57/538918057.db2.gz KQKNWZGAOTXQLI-STQMWFEESA-N 0 3 357.432 1.278 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000518811005 539448561 /nfs/dbraw/zinc/44/85/61/539448561.db2.gz FPMCTANDHBWWMG-UHFFFAOYSA-N 0 3 354.432 1.329 20 5 FDBDHN Cc1cc(=O)c(C(=O)N[C@H](C)CCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000264938511 179246066 /nfs/dbraw/zinc/24/60/66/179246066.db2.gz VFEZYJDKIOWVAO-GFCCVEGCSA-N 0 3 373.413 1.519 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OCCO)C1 ZINC000265256742 179323067 /nfs/dbraw/zinc/32/30/67/179323067.db2.gz XKKBYXBMXMXKKI-CQSZACIVSA-N 0 3 367.402 1.405 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000268974236 180190598 /nfs/dbraw/zinc/19/05/98/180190598.db2.gz OFTXOTYZCKOERS-FVQBIDKESA-N 0 3 354.428 1.541 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)cn1 ZINC000269167304 180232002 /nfs/dbraw/zinc/23/20/02/180232002.db2.gz QVPOVGXQBKIWGA-UHFFFAOYSA-N 0 3 357.370 1.417 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC2(CCOCC2)C1 ZINC000274475093 181102201 /nfs/dbraw/zinc/10/22/01/181102201.db2.gz DFUHWIIZYQDYNU-AWEZNQCLSA-N 0 3 368.455 1.933 20 5 FDBDHN CCN(CCO)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274535657 181116232 /nfs/dbraw/zinc/11/62/32/181116232.db2.gz JNNKRMCRECZNEM-UHFFFAOYSA-N 0 3 359.810 1.448 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000274563667 181123199 /nfs/dbraw/zinc/12/31/99/181123199.db2.gz KLLYGUVBRKBWLI-GJZGRUSLSA-N 0 3 363.462 1.981 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000274651282 181138648 /nfs/dbraw/zinc/13/86/48/181138648.db2.gz WVDOXMZNERKOBI-GFCCVEGCSA-N 0 3 352.439 1.197 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ncnc3sccc32)CC1 ZINC000532397794 540159512 /nfs/dbraw/zinc/15/95/12/540159512.db2.gz SENCHVJCQKSGSH-UHFFFAOYSA-N 0 3 370.394 1.957 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1N(C)C ZINC000536546986 540613833 /nfs/dbraw/zinc/61/38/33/540613833.db2.gz DUQWVBJSPZNAGE-TZMCWYRMSA-N 0 3 367.427 1.484 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000538527499 540866362 /nfs/dbraw/zinc/86/63/62/540866362.db2.gz MDFBFIYWURDWDG-AWEZNQCLSA-N 0 3 362.430 1.503 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000543014989 541519698 /nfs/dbraw/zinc/51/96/98/541519698.db2.gz RYAHXKSVEXYLLM-LLVKDONJSA-N 0 3 350.375 1.142 20 5 FDBDHN CCN1CCN([C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)CC1 ZINC000543437109 541592353 /nfs/dbraw/zinc/59/23/53/541592353.db2.gz FEIFBEFKDCXGDW-CQSZACIVSA-N 0 3 356.430 1.754 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543761648 541656453 /nfs/dbraw/zinc/65/64/53/541656453.db2.gz ZLUYOQSIMQQXEY-CHWSQXEVSA-N 0 3 368.459 1.921 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543920801 541683568 /nfs/dbraw/zinc/68/35/68/541683568.db2.gz LKHMRJGUXUAIHQ-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCO1 ZINC000544462130 541771317 /nfs/dbraw/zinc/77/13/17/541771317.db2.gz QHDKLIQBYFEWOZ-GXFFZTMASA-N 0 3 351.359 1.809 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000282732755 182049548 /nfs/dbraw/zinc/04/95/48/182049548.db2.gz IOCAJLSRTFJFAF-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000295072719 184032017 /nfs/dbraw/zinc/03/20/17/184032017.db2.gz UXTOQTPFLVIHPY-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN CN(C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000295399296 184067010 /nfs/dbraw/zinc/06/70/10/184067010.db2.gz ZGNDKDYACFHPKN-UHFFFAOYSA-N 0 3 363.414 1.785 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295722792 184098148 /nfs/dbraw/zinc/09/81/48/184098148.db2.gz QRVVGXPZOAUUEZ-KBPBESRZSA-N 0 3 374.441 1.656 20 5 FDBDHN C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297469765 184275252 /nfs/dbraw/zinc/27/52/52/184275252.db2.gz URBRVEHZEXMFDU-ZFWWWQNUSA-N 0 3 350.419 1.802 20 5 FDBDHN CCc1ccc([C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000548711367 542760217 /nfs/dbraw/zinc/76/02/17/542760217.db2.gz GCTDNTWMCVNECC-HNNXBMFYSA-N 0 3 357.414 2.167 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000549034408 542825448 /nfs/dbraw/zinc/82/54/48/542825448.db2.gz HOKZGWGKAVSJPP-CYBMUJFWSA-N 0 3 351.403 1.834 20 5 FDBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000067205668 172007927 /nfs/dbraw/zinc/00/79/27/172007927.db2.gz UJEVEKBCIYIRMK-OAHLLOKOSA-N 0 3 356.382 1.276 20 5 FDBDHN O=C(CN1CCC(CN2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069030509 172025198 /nfs/dbraw/zinc/02/51/98/172025198.db2.gz AZWADLNZYWZZMR-UHFFFAOYSA-N 0 3 362.430 1.578 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN1CCN(C)CC1 ZINC000074137719 172074432 /nfs/dbraw/zinc/07/44/32/172074432.db2.gz XTFLNDLENHWZJM-CQSZACIVSA-N 0 3 363.462 1.274 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000102647877 172352918 /nfs/dbraw/zinc/35/29/18/172352918.db2.gz NTAMVBWXBBUVBP-OKILXGFUSA-N 0 3 365.434 1.139 20 5 FDBDHN CCO[C@H]1C[C@@H](O)C12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137066963 173368161 /nfs/dbraw/zinc/36/81/61/173368161.db2.gz JQXIGEUDQSBEEM-BBWFWOEESA-N 0 3 350.415 1.880 20 5 FDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CN1CCN(C)CC1 ZINC000137063787 173368227 /nfs/dbraw/zinc/36/82/27/173368227.db2.gz SQUCROXOGNEMJG-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160197543 173702859 /nfs/dbraw/zinc/70/28/59/173702859.db2.gz PADGYORAIWHVSJ-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C3CCOCC3)CC2)c1 ZINC000175482977 174008673 /nfs/dbraw/zinc/00/86/73/174008673.db2.gz IWQCMTLMFQGWFC-KRWDZBQOSA-N 0 3 365.430 1.131 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000177837587 174160173 /nfs/dbraw/zinc/16/01/73/174160173.db2.gz FNSITDCEEINYOQ-ZFWWWQNUSA-N 0 3 362.430 1.491 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)C2 ZINC000181229863 174212986 /nfs/dbraw/zinc/21/29/86/174212986.db2.gz XIWOQDPMFZZPPW-AHIWAGSCSA-N 0 3 358.398 1.783 20 5 FDBDHN CN(C)C(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181507867 174229790 /nfs/dbraw/zinc/22/97/90/174229790.db2.gz NTFPRLPOJZCPIL-CQSZACIVSA-N 0 3 351.403 1.135 20 5 FDBDHN O=C(CCN1CCC(n2cncn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181668728 174240125 /nfs/dbraw/zinc/24/01/25/174240125.db2.gz KKYRKQVGAVTAIV-UHFFFAOYSA-N 0 3 362.365 1.991 20 5 FDBDHN Cn1cc(CN2CCC[C@H](OCCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179570380 258353696 /nfs/dbraw/zinc/35/36/96/258353696.db2.gz WHNDVJSTNDVZIE-KRWDZBQOSA-N 0 3 360.414 1.969 20 5 FDBDHN CNC(=O)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179821070 258357990 /nfs/dbraw/zinc/35/79/90/258357990.db2.gz RJPKGNOKHQDFHX-UHFFFAOYSA-N 0 3 357.414 1.953 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000173733599 258308923 /nfs/dbraw/zinc/30/89/23/258308923.db2.gz VGFKDHRQTKWBNH-OAHLLOKOSA-N 0 3 371.401 1.075 20 5 FDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178950929 258340870 /nfs/dbraw/zinc/34/08/70/258340870.db2.gz DCAIIDNJBIJORE-UHFFFAOYSA-N 0 3 355.460 1.741 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247277967 258398373 /nfs/dbraw/zinc/39/83/73/258398373.db2.gz FTYZXFJPQMIXBW-YDHLFZDLSA-N 0 3 362.430 1.654 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000554653031 543845411 /nfs/dbraw/zinc/84/54/11/543845411.db2.gz PVCHNQUHCRACBP-UHFFFAOYSA-N 0 3 364.446 1.566 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000556083827 544091293 /nfs/dbraw/zinc/09/12/93/544091293.db2.gz OYUJULZDJBGCPE-CQSZACIVSA-N 0 3 374.441 1.328 20 5 FDBDHN CCN1CCC(N(C)C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000557951401 544365687 /nfs/dbraw/zinc/36/56/87/544365687.db2.gz KWPLVQSMJFNTFL-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)nn21 ZINC000301924983 259036256 /nfs/dbraw/zinc/03/62/56/259036256.db2.gz GRCURFUQKZKDKV-LSDHHAIUSA-N 0 3 368.397 1.685 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455487 259145508 /nfs/dbraw/zinc/14/55/08/259145508.db2.gz OASGJVXUBPHPRL-RWMBFGLXSA-N 0 3 373.479 1.456 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c([N+](=O)[O-])n1 ZINC000330462963 259146152 /nfs/dbraw/zinc/14/61/52/259146152.db2.gz YYCGLNDNNXGBAM-LBPRGKRZSA-N 0 3 359.452 1.306 20 5 FDBDHN CN(C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000330791031 259162938 /nfs/dbraw/zinc/16/29/38/259162938.db2.gz SZWDLBIIJJELEM-NSHDSACASA-N 0 3 355.416 1.022 20 5 FDBDHN CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000331376982 259190368 /nfs/dbraw/zinc/19/03/68/259190368.db2.gz DSGFXUJQLDTJER-KGLIPLIRSA-N 0 3 367.475 1.565 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(CCN3CCOCC3)C2)ccc2ncccc21 ZINC000369343287 260344918 /nfs/dbraw/zinc/34/49/18/260344918.db2.gz CFDGBPSCLVAXBW-OAHLLOKOSA-N 0 3 371.441 1.961 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000369561842 260391578 /nfs/dbraw/zinc/39/15/78/260391578.db2.gz SVNNJUPIIVAZOM-VXGBXAGGSA-N 0 3 350.375 1.442 20 5 FDBDHN COc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000372062956 260809752 /nfs/dbraw/zinc/80/97/52/260809752.db2.gz MTYFRCFEPDFTPF-OAHLLOKOSA-N 0 3 366.437 1.954 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000373922875 261052620 /nfs/dbraw/zinc/05/26/20/261052620.db2.gz YBWBBSBCVCVYCJ-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000374830836 261206141 /nfs/dbraw/zinc/20/61/41/261206141.db2.gz TZLVQHBECNCXOJ-LLVKDONJSA-N 0 3 352.366 1.299 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000374989973 261241047 /nfs/dbraw/zinc/24/10/47/261241047.db2.gz RMOAKGYOBSSBHG-CVEARBPZSA-N 0 3 361.402 1.481 20 5 FDBDHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375376811 261326007 /nfs/dbraw/zinc/32/60/07/261326007.db2.gz CURAZHFKVYNQAF-KBPBESRZSA-N 0 3 350.423 1.622 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1N(C)C ZINC000271152822 674316348 /nfs/dbraw/zinc/31/63/48/674316348.db2.gz QMYSZZUEHJJLBG-IUODEOHRSA-N 0 3 367.427 1.484 20 5 FDBDHN COC(=O)C1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000026219661 519108588 /nfs/dbraw/zinc/10/85/88/519108588.db2.gz URCDAUKBHJIYGZ-UHFFFAOYSA-N 0 3 365.386 1.817 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000041443311 519656136 /nfs/dbraw/zinc/65/61/36/519656136.db2.gz LNFPHFVILGNYIP-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H](N2CCCC2)C1 ZINC000073073372 522460848 /nfs/dbraw/zinc/46/08/48/522460848.db2.gz RHCOKZWADNHNSW-AWEZNQCLSA-N 0 3 361.398 1.605 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064521334 522726458 /nfs/dbraw/zinc/72/64/58/522726458.db2.gz QMOXQUFYINBYEH-CYBMUJFWSA-N 0 3 363.443 1.881 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000048716955 522772254 /nfs/dbraw/zinc/77/22/54/522772254.db2.gz OESNFHQDCMXUEL-GXTWGEPZSA-N 0 3 370.427 1.502 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000048716950 522772772 /nfs/dbraw/zinc/77/27/72/522772772.db2.gz OESNFHQDCMXUEL-JSGCOSHPSA-N 0 3 370.427 1.502 20 5 FDBDHN CN(C)C(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053399172 523417428 /nfs/dbraw/zinc/41/74/28/523417428.db2.gz ULKAORIVSXOTEY-OAHLLOKOSA-N 0 3 351.403 1.135 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467893 523795863 /nfs/dbraw/zinc/79/58/63/523795863.db2.gz ZBBNNXMZAVWTTC-HNNXBMFYSA-N 0 3 373.457 1.692 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080248778 523857939 /nfs/dbraw/zinc/85/79/39/523857939.db2.gz ICDJSJHMPWQMJX-HNNXBMFYSA-N 0 3 363.462 1.173 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000157101857 524211208 /nfs/dbraw/zinc/21/12/08/524211208.db2.gz ACADYAGPCPTKFN-CABCVRRESA-N 0 3 361.398 1.729 20 5 FDBDHN O=C(CN1[C@@H]2CC[C@H]1CC(O)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111320621 524258767 /nfs/dbraw/zinc/25/87/67/524258767.db2.gz LWSWAYMUYGYCEK-JWTNVVGKSA-N 0 3 374.441 1.231 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000085456528 524356998 /nfs/dbraw/zinc/35/69/98/524356998.db2.gz UICHFAKTLOYPKM-STQMWFEESA-N 0 3 367.450 1.890 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000121882354 524395531 /nfs/dbraw/zinc/39/55/31/524395531.db2.gz WQASNWABAYVGDW-ZDUSSCGKSA-N 0 3 366.487 1.930 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000112549621 524503866 /nfs/dbraw/zinc/50/38/66/524503866.db2.gz SZYXOXXTBUIXCB-JQWIXIFHSA-N 0 3 374.401 1.435 20 5 FDBDHN COc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000158846882 524538401 /nfs/dbraw/zinc/53/84/01/524538401.db2.gz JRQLVFDSOUPDCU-CQSZACIVSA-N 0 3 359.386 1.893 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000090015300 524574450 /nfs/dbraw/zinc/57/44/50/524574450.db2.gz OFYXKRMSDONABS-GFCCVEGCSA-N 0 3 357.432 1.278 20 5 FDBDHN COC(=O)[C@H](C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090559323 524603768 /nfs/dbraw/zinc/60/37/68/524603768.db2.gz RNTMSHMCBSLKHS-CXAGYDPISA-N 0 3 359.382 1.897 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000122844657 524629560 /nfs/dbraw/zinc/62/95/60/524629560.db2.gz CYTNATWQOXEGQK-GXTWGEPZSA-N 0 3 358.402 1.730 20 5 FDBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114140907 524745334 /nfs/dbraw/zinc/74/53/34/524745334.db2.gz GNPBYCOHWOKLMZ-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN CCCN(CCN(C)C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000123821937 524837193 /nfs/dbraw/zinc/83/71/93/524837193.db2.gz TZEUHYZNAPUJLI-UHFFFAOYSA-N 0 3 350.375 1.303 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000152714712 524977226 /nfs/dbraw/zinc/97/72/26/524977226.db2.gz HEPNUMAJOOXUET-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000152895259 525039674 /nfs/dbraw/zinc/03/96/74/525039674.db2.gz ZMJUCBNXDNVFPI-BXUZGUMPSA-N 0 3 357.407 1.839 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000161676692 525149015 /nfs/dbraw/zinc/14/90/15/525149015.db2.gz GBNRAQURWVHECT-AWEZNQCLSA-N 0 3 371.459 1.274 20 5 FDBDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161707311 525156247 /nfs/dbraw/zinc/15/62/47/525156247.db2.gz WBEIUTACCAYDFI-UHFFFAOYSA-N 0 3 366.466 1.945 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125285497 525184887 /nfs/dbraw/zinc/18/48/87/525184887.db2.gz AUOUGTOBHFGJGL-NSHDSACASA-N 0 3 365.477 1.600 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)C[S@@](C)=O ZINC000126765140 525350715 /nfs/dbraw/zinc/35/07/15/525350715.db2.gz BZRUHGSJGCGRSE-JNDILOIQSA-N 0 3 357.432 1.631 20 5 FDBDHN Cc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000104102703 525391950 /nfs/dbraw/zinc/39/19/50/525391950.db2.gz FKJMKXXUCQMLHQ-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000154090704 525419376 /nfs/dbraw/zinc/41/93/76/525419376.db2.gz GZTXWFSJTSUZHT-LBPRGKRZSA-N 0 3 353.810 1.386 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCCN(C)C ZINC000127806923 525466446 /nfs/dbraw/zinc/46/64/46/525466446.db2.gz UOSOTOKKMPRYEL-NSHDSACASA-N 0 3 356.448 1.479 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119363329 525720091 /nfs/dbraw/zinc/72/00/91/525720091.db2.gz YMNDOCXJYBAFBY-INIZCTEOSA-N 0 3 366.849 1.987 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000106418148 525721775 /nfs/dbraw/zinc/72/17/75/525721775.db2.gz LQBVUUXJMRXJGK-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000119415458 525738081 /nfs/dbraw/zinc/73/80/81/525738081.db2.gz CXESLMBDZIWYSS-HZMBPMFUSA-N 0 3 368.821 1.985 20 5 FDBDHN Cn1cc(CNCCNC(=O)c2ccn[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181135526 525810760 /nfs/dbraw/zinc/81/07/60/525810760.db2.gz KCRZYTFFWZXKDP-UHFFFAOYSA-N 0 3 369.385 1.238 20 5 FDBDHN CN1CC[C@@H](Cn2nnnc2Sc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000131981296 525926747 /nfs/dbraw/zinc/92/67/47/525926747.db2.gz FXLKPZHRKYFIPX-MRVPVSSYSA-N 0 3 366.432 1.393 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108618631 526006781 /nfs/dbraw/zinc/00/67/81/526006781.db2.gz JJXNVTXMTOVZBB-LLVKDONJSA-N 0 3 366.805 1.787 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2ccnn2)cc1 ZINC000182010025 526017246 /nfs/dbraw/zinc/01/72/46/526017246.db2.gz MUJHAWCKHKHCRQ-ZDUSSCGKSA-N 0 3 354.370 1.688 20 5 FDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000182063847 526041078 /nfs/dbraw/zinc/04/10/78/526041078.db2.gz WTUAQLPXZSOZHS-CQSZACIVSA-N 0 3 358.398 1.393 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000182238146 526104817 /nfs/dbraw/zinc/10/48/17/526104817.db2.gz NHIBKSMWXWNTMQ-GJZGRUSLSA-N 0 3 361.402 1.338 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182237871 526105684 /nfs/dbraw/zinc/10/56/84/526105684.db2.gz JBUVBPZXUMRKJT-MRXNPFEDSA-N 0 3 366.849 1.987 20 5 FDBDHN CN(C)C(=O)CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182495561 526192249 /nfs/dbraw/zinc/19/22/49/526192249.db2.gz VKFSEJYXZMNBNI-OAHLLOKOSA-N 0 3 365.430 1.525 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000183343040 535964869 /nfs/dbraw/zinc/96/48/69/535964869.db2.gz XYVZDUZXBKAENF-UHFFFAOYSA-N 0 3 360.414 1.330 20 5 FDBDHN COc1cc(F)c([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000183505686 535994045 /nfs/dbraw/zinc/99/40/45/535994045.db2.gz RXEXWIZKASBUPB-PWSUYJOCSA-N 0 3 368.365 1.659 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000183886875 536062141 /nfs/dbraw/zinc/06/21/41/536062141.db2.gz ZYHYOXRCJQWPHV-CYBMUJFWSA-N 0 3 365.434 1.751 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2cccc(Br)c2)n1 ZINC000183896299 536064462 /nfs/dbraw/zinc/06/44/62/536064462.db2.gz NFNDKNBTOMUWSF-LBPRGKRZSA-N 0 3 355.192 1.877 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184213332 536116328 /nfs/dbraw/zinc/11/63/28/536116328.db2.gz DRCOMNFSSWYIQE-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000184813561 536185375 /nfs/dbraw/zinc/18/53/75/536185375.db2.gz ZLVWHRRVDOWKJR-JQWIXIFHSA-N 0 3 354.794 1.820 20 5 FDBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000185030072 536196337 /nfs/dbraw/zinc/19/63/37/536196337.db2.gz YGVATYKDDWUXOV-KBPBESRZSA-N 0 3 366.437 1.837 20 5 FDBDHN C[C@@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185257312 536203672 /nfs/dbraw/zinc/20/36/72/536203672.db2.gz XBOBDMXOBYQKHP-CQSZACIVSA-N 0 3 366.437 1.933 20 5 FDBDHN CCc1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185812696 536218214 /nfs/dbraw/zinc/21/82/14/536218214.db2.gz PBOKXAFBNPTOTP-TXEJJXNPSA-N 0 3 353.423 1.500 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000188079619 536282091 /nfs/dbraw/zinc/28/20/91/536282091.db2.gz DFPMRSLDMJEWKY-GOSISDBHSA-N 0 3 359.382 1.897 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000246479307 536962296 /nfs/dbraw/zinc/96/22/96/536962296.db2.gz WRKNHDROZPINCR-GXTWGEPZSA-N 0 3 371.459 1.954 20 5 FDBDHN CCN1CCCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000267225899 536963434 /nfs/dbraw/zinc/96/34/34/536963434.db2.gz OUQMCTBLRAHHEP-UHFFFAOYSA-N 0 3 364.402 1.030 20 5 FDBDHN COC(=O)[C@H](C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000247017008 537070135 /nfs/dbraw/zinc/07/01/35/537070135.db2.gz HHSQULLUDGOKRQ-WQVCFCJDSA-N 0 3 362.386 1.292 20 5 FDBDHN COCCN(C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263737769 537083670 /nfs/dbraw/zinc/08/36/70/537083670.db2.gz IDGRVJJQYDESFS-UHFFFAOYSA-N 0 3 350.419 1.503 20 5 FDBDHN CCN(CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)C1CC1 ZINC000263763022 537091685 /nfs/dbraw/zinc/09/16/85/537091685.db2.gz RLGMPMIVQSHVMV-UHFFFAOYSA-N 0 3 358.402 1.698 20 5 FDBDHN C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189899183 537111700 /nfs/dbraw/zinc/11/17/00/537111700.db2.gz OPLOMLCKBVYHGZ-GJZGRUSLSA-N 0 3 367.446 1.112 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000247408423 537116549 /nfs/dbraw/zinc/11/65/49/537116549.db2.gz PZGKXWJKSFFADJ-HEHGZKQESA-N 0 3 360.414 1.408 20 5 FDBDHN COCCCOC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266029356 537185111 /nfs/dbraw/zinc/18/51/11/537185111.db2.gz ZSFXBBZCQJQKIG-INIZCTEOSA-N 0 3 368.430 1.852 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2CCN(c3ccncc3)CC2)n1 ZINC000191698366 537210110 /nfs/dbraw/zinc/21/01/10/537210110.db2.gz SHSCNVYMJLUGEM-UHFFFAOYSA-N 0 3 358.402 1.853 20 5 FDBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298682503 537268082 /nfs/dbraw/zinc/26/80/82/537268082.db2.gz ASZXSQMSLVJULM-UHFFFAOYSA-N 0 3 363.374 1.818 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3ncccc3F)CC2)c1 ZINC000278401482 537315384 /nfs/dbraw/zinc/31/53/84/537315384.db2.gz WKTVTAQZOSEZQA-CYBMUJFWSA-N 0 3 365.365 1.230 20 5 FDBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285843267 537332422 /nfs/dbraw/zinc/33/24/22/537332422.db2.gz YNLLHVYFYCAKAB-UHFFFAOYSA-N 0 3 359.386 1.775 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870297 537347806 /nfs/dbraw/zinc/34/78/06/537347806.db2.gz UXORWUFHHFVWAV-ZLDLUXBVSA-N 0 3 363.418 1.191 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285897619 537361300 /nfs/dbraw/zinc/36/13/00/537361300.db2.gz JPLVZCLCYXOKOW-CABCVRRESA-N 0 3 361.402 1.330 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285897474 537361626 /nfs/dbraw/zinc/36/16/26/537361626.db2.gz JOROYZRMJBWEIF-CABCVRRESA-N 0 3 361.402 1.330 20 5 FDBDHN C[C@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO[C@H]1C1CC1 ZINC000273085416 537392693 /nfs/dbraw/zinc/39/26/93/537392693.db2.gz RNAFYGZBEQEVMF-IRXDYDNUSA-N 0 3 363.370 1.809 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000198848002 537426192 /nfs/dbraw/zinc/42/61/92/537426192.db2.gz HJUGPRSZPMCRHQ-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000293417345 537448029 /nfs/dbraw/zinc/44/80/29/537448029.db2.gz ZQNBQDPQJNIZOP-INIZCTEOSA-N 0 3 350.419 1.982 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000272138286 537533216 /nfs/dbraw/zinc/53/32/16/537533216.db2.gz YWDMVKGPKYHZJR-QWHCGFSZSA-N 0 3 357.407 1.947 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000291265763 537553029 /nfs/dbraw/zinc/55/30/29/537553029.db2.gz KURZSCQBSWBHKW-LBPRGKRZSA-N 0 3 360.414 1.862 20 5 FDBDHN C[C@H]1CN(CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCCO1 ZINC000277348413 537610758 /nfs/dbraw/zinc/61/07/58/537610758.db2.gz DIGBRNRLIBSLAY-LBPRGKRZSA-N 0 3 372.447 1.155 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291607468 537641034 /nfs/dbraw/zinc/64/10/34/537641034.db2.gz APHCRTHYPOLNJK-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)C1 ZINC000294163155 537668864 /nfs/dbraw/zinc/66/88/64/537668864.db2.gz OBWBKCKZZUCHFL-SFHVURJKSA-N 0 3 370.413 1.733 20 5 FDBDHN CN(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290097669 537670647 /nfs/dbraw/zinc/67/06/47/537670647.db2.gz HUONMOBKTXTKPY-DZGCQCFKSA-N 0 3 355.460 1.787 20 5 FDBDHN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000291749377 537671989 /nfs/dbraw/zinc/67/19/89/537671989.db2.gz JZMDVMIVRTVEJY-CYBMUJFWSA-N 0 3 360.414 1.866 20 5 FDBDHN COc1cc(C(=O)N2CCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294224737 537676821 /nfs/dbraw/zinc/67/68/21/537676821.db2.gz BIOLBEIQRAJPCZ-UHFFFAOYSA-N 0 3 354.382 1.062 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291833197 537682718 /nfs/dbraw/zinc/68/27/18/537682718.db2.gz GCULAQAYEXMPHG-OAHLLOKOSA-N 0 3 373.406 1.459 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291853521 537684438 /nfs/dbraw/zinc/68/44/38/537684438.db2.gz IETSLKNZJCRTML-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294339880 537685026 /nfs/dbraw/zinc/68/50/26/537685026.db2.gz PISZWEOISYJFIH-DGCLKSJQSA-N 0 3 368.459 1.784 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411540798 537763911 /nfs/dbraw/zinc/76/39/11/537763911.db2.gz XIVOCUVOUWSQKN-CZUORRHYSA-N 0 3 360.414 1.927 20 5 FDBDHN Cc1nn(C)c(N2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000371216269 537779555 /nfs/dbraw/zinc/77/95/55/537779555.db2.gz RKORWTGGXABSNC-UHFFFAOYSA-N 0 3 350.467 1.632 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416555792 537880469 /nfs/dbraw/zinc/88/04/69/537880469.db2.gz FKCUUXUERAILJJ-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000366900287 537883364 /nfs/dbraw/zinc/88/33/64/537883364.db2.gz GBXZFTNCUDQDKW-CYBMUJFWSA-N 0 3 366.418 1.914 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCNCc1cccnc1 ZINC000415305761 537998540 /nfs/dbraw/zinc/99/85/40/537998540.db2.gz JNLZIEOKCXSJOA-UHFFFAOYSA-N 0 3 371.397 1.533 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000369352074 538016604 /nfs/dbraw/zinc/01/66/04/538016604.db2.gz BWQDYOUBKCNIDT-AWEZNQCLSA-N 0 3 350.394 1.586 20 5 FDBDHN Cc1cccc(C(=O)NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000432538096 538155194 /nfs/dbraw/zinc/15/51/94/538155194.db2.gz YSGYHFYKRYYYGH-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN CC(C)OC[C@H](CO)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000433181269 538205738 /nfs/dbraw/zinc/20/57/38/538205738.db2.gz KUSGHGDNMMQBCD-AWEZNQCLSA-N 0 3 367.402 1.611 20 5 FDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440435450 538237023 /nfs/dbraw/zinc/23/70/23/538237023.db2.gz CFVYBHMSCWCJIQ-SECBINFHSA-N 0 3 366.237 1.619 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)c1[N+](=O)[O-] ZINC000428327431 538288118 /nfs/dbraw/zinc/28/81/18/538288118.db2.gz SKQJCFMRQJOXGT-UHFFFAOYSA-N 0 3 361.406 2.157 20 5 FDBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446890398 538327157 /nfs/dbraw/zinc/32/71/57/538327157.db2.gz KCNOCIIGCMIELY-INIZCTEOSA-N 0 3 372.443 1.400 20 5 FDBDHN C[C@@H]1CN(CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000420604298 538329571 /nfs/dbraw/zinc/32/95/71/538329571.db2.gz RULROKUKLGKUNB-CHWSQXEVSA-N 0 3 350.419 1.995 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000442114510 538355794 /nfs/dbraw/zinc/35/57/94/538355794.db2.gz AMOYTVPEXSFYKY-QWRGUYRKSA-N 0 3 350.375 1.141 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000435762933 538408114 /nfs/dbraw/zinc/40/81/14/538408114.db2.gz PKHCOFFDXOGNCC-HNNXBMFYSA-N 0 3 365.430 1.491 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457063238 538470584 /nfs/dbraw/zinc/47/05/84/538470584.db2.gz BQKUMWJXXOEBED-MRXNPFEDSA-N 0 3 362.430 1.656 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000453953720 538479582 /nfs/dbraw/zinc/47/95/82/538479582.db2.gz ASICJJYPBLAOKV-NSHDSACASA-N 0 3 350.419 1.897 20 5 FDBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000457361287 538487904 /nfs/dbraw/zinc/48/79/04/538487904.db2.gz JOBYRXMOYVHNRF-LRDDRELGSA-N 0 3 359.386 1.642 20 5 FDBDHN CNC(=O)N[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000466924024 538576711 /nfs/dbraw/zinc/57/67/11/538576711.db2.gz GXXMAWWEOBHCSF-CYBMUJFWSA-N 0 3 359.386 1.796 20 5 FDBDHN NC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000479187986 538790513 /nfs/dbraw/zinc/79/05/13/538790513.db2.gz CIHLJYLGIGMVRJ-GDBMZVCRSA-N 0 3 373.388 1.884 20 5 FDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489464559 538816105 /nfs/dbraw/zinc/81/61/05/538816105.db2.gz KMRHFSKOXDEUOS-SOUVJXGZSA-N 0 3 354.403 1.460 20 5 FDBDHN CC(C)N(CCN1CCCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000561710529 545933482 /nfs/dbraw/zinc/93/34/82/545933482.db2.gz IXZCKOJNAIKCNM-UHFFFAOYSA-N 0 3 364.446 1.870 20 5 FDBDHN CCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000563011320 546353575 /nfs/dbraw/zinc/35/35/75/546353575.db2.gz MBLXSGIERBCYGB-CYBMUJFWSA-N 0 3 354.794 1.994 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)Cc1cccc(F)c1 ZINC000563137620 546420110 /nfs/dbraw/zinc/42/01/10/546420110.db2.gz IDAJEXKESQYXAI-HZPDHXFCSA-N 0 3 364.373 1.667 20 5 FDBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000563809749 546693019 /nfs/dbraw/zinc/69/30/19/546693019.db2.gz SBKMYJUYEXJGNN-UHFFFAOYSA-N 0 3 351.754 1.028 20 5 FDBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000563811229 546694080 /nfs/dbraw/zinc/69/40/80/546694080.db2.gz VMXKQAXSUQMYBC-WXHSDQCUSA-N 0 3 352.309 1.626 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000563953655 546750922 /nfs/dbraw/zinc/75/09/22/546750922.db2.gz MVVJIKSDVJUJTK-CQSZACIVSA-N 0 3 352.778 1.530 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCCC23CCN(C)CC3)cccc1[N+](=O)[O-] ZINC000564017069 546775819 /nfs/dbraw/zinc/77/58/19/546775819.db2.gz GUEBCHVDIHZQBQ-UHFFFAOYSA-N 0 3 374.441 1.606 20 5 FDBDHN C[C@@]1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)OCCc2sccc21 ZINC000564869854 547075237 /nfs/dbraw/zinc/07/52/37/547075237.db2.gz KXDUFXFCPVGZKX-DOMZBBRYSA-N 0 3 352.416 1.291 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566179086 547643377 /nfs/dbraw/zinc/64/33/77/547643377.db2.gz NYYLVKHYGFDRMX-HDMKZQKVSA-N 0 3 363.414 1.622 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000567255548 548053109 /nfs/dbraw/zinc/05/31/09/548053109.db2.gz CTMGCYVGYHDMOD-CYBMUJFWSA-N 0 3 362.430 1.510 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ncccc2F)c1 ZINC000568975710 548753048 /nfs/dbraw/zinc/75/30/48/548753048.db2.gz JUFJYZPMFXKPRH-ZDUSSCGKSA-N 0 3 351.334 1.537 20 5 FDBDHN CC(C)[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000569933133 549099684 /nfs/dbraw/zinc/09/96/84/549099684.db2.gz ILPYUTGUIBKJNP-OAHLLOKOSA-N 0 3 360.418 1.652 20 5 FDBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571524287 549675873 /nfs/dbraw/zinc/67/58/73/549675873.db2.gz ZQKZQSLSYPHVQL-MRVPVSSYSA-N 0 3 366.237 1.763 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000571798501 549767292 /nfs/dbraw/zinc/76/72/92/549767292.db2.gz PLJCZGJURVWJQW-ZDUSSCGKSA-N 0 3 350.419 1.316 20 5 FDBDHN CN(C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000571818977 549772654 /nfs/dbraw/zinc/77/26/54/549772654.db2.gz MXMOMUVTPHBJRK-UHFFFAOYSA-N 0 3 355.398 1.401 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000573707753 550197822 /nfs/dbraw/zinc/19/78/22/550197822.db2.gz KQTGGHZJXJHMSM-CYBMUJFWSA-N 0 3 374.441 1.685 20 5 FDBDHN C[C@H](C(=O)NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000573934795 550234624 /nfs/dbraw/zinc/23/46/24/550234624.db2.gz YHVRZRHVLISNDO-GTNSWQLSSA-N 0 3 351.378 1.410 20 5 FDBDHN N[C@H]1C[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000576479245 550553756 /nfs/dbraw/zinc/55/37/56/550553756.db2.gz CCHLMPXNLBTWTF-WFASDCNBSA-N 0 3 356.382 1.599 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000577744654 550690303 /nfs/dbraw/zinc/69/03/03/550690303.db2.gz RZBGLBFKWFUPNR-MRXNPFEDSA-N 0 3 353.806 1.743 20 5 FDBDHN O=C(CCN1CCC(N2CN=NC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000577818153 550697645 /nfs/dbraw/zinc/69/76/45/550697645.db2.gz ITIMBVDLOVZGHS-UHFFFAOYSA-N 0 3 360.374 1.558 20 5 FDBDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000578470237 550766743 /nfs/dbraw/zinc/76/67/43/550766743.db2.gz VCIGFYKTAORRMQ-BPNCWPANSA-N 0 3 366.336 1.872 20 5 FDBDHN N[C@H]1C[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217301 550956385 /nfs/dbraw/zinc/95/63/85/550956385.db2.gz ZWJZLUZSGJINQY-CABCVRRESA-N 0 3 371.397 1.036 20 5 FDBDHN CSC1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000580920876 551032905 /nfs/dbraw/zinc/03/29/05/551032905.db2.gz REWAVWINPVAHPF-UHFFFAOYSA-N 0 3 373.500 1.842 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2CN)c([N+](=O)[O-])n1 ZINC000581369458 551081237 /nfs/dbraw/zinc/08/12/37/551081237.db2.gz BEJGRBIHBARKLW-CYBMUJFWSA-N 0 3 365.415 1.058 20 5 FDBDHN CSc1ccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000581484129 551093646 /nfs/dbraw/zinc/09/36/46/551093646.db2.gz UYCRWHUBCYFAIX-CYBMUJFWSA-N 0 3 352.416 1.543 20 5 FDBDHN COc1ccc2c(c1)OC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000581998215 551160877 /nfs/dbraw/zinc/16/08/77/551160877.db2.gz AGJODRJBLIFWDF-GDBMZVCRSA-N 0 3 374.393 1.936 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000582143116 551182169 /nfs/dbraw/zinc/18/21/69/551182169.db2.gz FLZWRHBYPXPIJF-HNNXBMFYSA-N 0 3 350.467 1.724 20 5 FDBDHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582900033 551278871 /nfs/dbraw/zinc/27/88/71/551278871.db2.gz ZSGZDYTYYOIALN-QGZVFWFLSA-N 0 3 370.413 1.745 20 5 FDBDHN CS(=O)(=O)CC1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000584405754 551491989 /nfs/dbraw/zinc/49/19/89/551491989.db2.gz YWNDPNVXXBMGGZ-UHFFFAOYSA-N 0 3 355.416 1.338 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588071889 551644631 /nfs/dbraw/zinc/64/46/31/551644631.db2.gz MUBNTHDDSSLIFM-OLZOCXBDSA-N 0 3 359.430 1.848 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588869281 551695107 /nfs/dbraw/zinc/69/51/07/551695107.db2.gz KDJIZZQBUPLXTE-LLVKDONJSA-N 0 3 360.370 1.035 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3cc(C(=O)OC)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000590373013 551776952 /nfs/dbraw/zinc/77/69/52/551776952.db2.gz AZQVMJOYVYBQCO-DLBZAZTESA-N 0 3 363.414 1.676 20 5 FDBDHN CN(CC(=O)N1CCOC[C@H]1[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000590565339 551793142 /nfs/dbraw/zinc/79/31/42/551793142.db2.gz KXTHBOLOHSMDRG-WBVHZDCISA-N 0 3 362.430 1.353 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000590574642 551794159 /nfs/dbraw/zinc/79/41/59/551794159.db2.gz PGGSISLNBUZVGO-ZDUSSCGKSA-N 0 3 365.434 1.462 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000590658560 551802438 /nfs/dbraw/zinc/80/24/38/551802438.db2.gz TVPJFKKQJBWTKR-OLZOCXBDSA-N 0 3 366.370 1.578 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590926395 551827103 /nfs/dbraw/zinc/82/71/03/551827103.db2.gz SKZVYPMSSNWXPW-CQSZACIVSA-N 0 3 362.434 1.306 20 5 FDBDHN COc1cccc2c1OC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000591733881 551904742 /nfs/dbraw/zinc/90/47/42/551904742.db2.gz YSBPYEAORYGHNF-HUUCEWRRSA-N 0 3 374.393 1.936 20 5 FDBDHN O=c1[nH]c2c(cc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000591739542 551905000 /nfs/dbraw/zinc/90/50/00/551905000.db2.gz FEZIQBCFCSHZQO-OAHLLOKOSA-N 0 3 359.382 1.714 20 5 FDBDHN CO[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000591754092 551905952 /nfs/dbraw/zinc/90/59/52/551905952.db2.gz BEOTXLUNPMRUKC-DOMZBBRYSA-N 0 3 354.794 1.783 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592102957 551941893 /nfs/dbraw/zinc/94/18/93/551941893.db2.gz DPYBPSZZRNYPCI-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN O=[N+]([O-])c1ccccc1CN(CC1(CO)COC1)[C@H]1CC[C@H](O)CC1 ZINC000592131003 551947173 /nfs/dbraw/zinc/94/71/73/551947173.db2.gz OVQCSAIGWMBGRM-WKILWMFISA-N 0 3 350.415 1.709 20 5 FDBDHN NCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000592444487 551996285 /nfs/dbraw/zinc/99/62/85/551996285.db2.gz DDKBMKBQEVUKNE-ZDUSSCGKSA-N 0 3 358.354 1.890 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592875611 552037845 /nfs/dbraw/zinc/03/78/45/552037845.db2.gz ZOMOADHBFQGHIU-NSHDSACASA-N 0 3 368.821 1.369 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593218114 552074022 /nfs/dbraw/zinc/07/40/22/552074022.db2.gz LQHVYFGFPNFVLN-UHFFFAOYSA-N 0 3 363.418 1.395 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593235667 552075495 /nfs/dbraw/zinc/07/54/95/552075495.db2.gz YZJYNBSORACWJE-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CNc1nccc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594302358 552282803 /nfs/dbraw/zinc/28/28/03/552282803.db2.gz GUZBUDQIOIBTQH-HNNXBMFYSA-N 0 3 369.425 2.378 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594601208 552339508 /nfs/dbraw/zinc/33/95/08/552339508.db2.gz MQTNEXDNCNLRJQ-HIFRSBDPSA-N 0 3 368.459 1.932 20 5 FDBDHN CC(=O)NCc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000594718238 552362889 /nfs/dbraw/zinc/36/28/89/552362889.db2.gz LMYHHNTUJAVATI-SFHVURJKSA-N 0 3 373.409 1.760 20 5 FDBDHN C[C@H](CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000594820304 552398029 /nfs/dbraw/zinc/39/80/29/552398029.db2.gz ARSCFWGFNKENMQ-LLVKDONJSA-N 0 3 352.416 1.762 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(CC(=O)N(C)C)CC1 ZINC000595017601 552438071 /nfs/dbraw/zinc/43/80/71/552438071.db2.gz KLWJJTPVAADTAU-ZDUSSCGKSA-N 0 3 364.446 1.807 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595104368 552451561 /nfs/dbraw/zinc/45/15/61/552451561.db2.gz PLZCPLRVOYMLMU-STQMWFEESA-N 0 3 356.448 1.832 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595191758 552484814 /nfs/dbraw/zinc/48/48/14/552484814.db2.gz BSQTVDDJTOUKKV-LLVKDONJSA-N 0 3 350.375 1.142 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000595195099 552486404 /nfs/dbraw/zinc/48/64/04/552486404.db2.gz ZGLIEHDVBYNMGY-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410411 552553817 /nfs/dbraw/zinc/55/38/17/552553817.db2.gz LQZSEHKDWIOTRH-ZDUSSCGKSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410411 552553819 /nfs/dbraw/zinc/55/38/19/552553819.db2.gz LQZSEHKDWIOTRH-ZDUSSCGKSA-N 0 3 354.432 1.390 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595614843 552593093 /nfs/dbraw/zinc/59/30/93/552593093.db2.gz JQBRJVJKAQOMNI-INIZCTEOSA-N 0 3 363.414 1.515 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595631307 552595487 /nfs/dbraw/zinc/59/54/87/552595487.db2.gz GWXBBAJAELTYOU-UMVBOHGHSA-N 0 3 351.403 1.689 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595658984 552598241 /nfs/dbraw/zinc/59/82/41/552598241.db2.gz LGGWGMFLVAULQM-QGZVFWFLSA-N 0 3 367.402 1.405 20 5 FDBDHN CO[C@@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595659874 552598295 /nfs/dbraw/zinc/59/82/95/552598295.db2.gz QQVYWEIUSYNNCY-KRWDZBQOSA-N 0 3 351.403 1.705 20 5 FDBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000595767274 552613240 /nfs/dbraw/zinc/61/32/40/552613240.db2.gz BBJPRRZFCQKWEI-XJKSGUPXSA-N 0 3 357.414 1.928 20 5 FDBDHN CN(C)C(=O)N(C)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595823939 552620231 /nfs/dbraw/zinc/62/02/31/552620231.db2.gz VMUHIYBWULZVID-HNNXBMFYSA-N 0 3 363.418 1.611 20 5 FDBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](CN)C(F)(F)F ZINC000595909862 552631944 /nfs/dbraw/zinc/63/19/44/552631944.db2.gz UIBZTEWEXZEQPW-NSHDSACASA-N 0 3 364.280 1.083 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596049702 552649785 /nfs/dbraw/zinc/64/97/85/552649785.db2.gz GLMCFQLYCTYISU-SNVBAGLBSA-N 0 3 357.310 1.114 20 5 FDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000596049582 552649818 /nfs/dbraw/zinc/64/98/18/552649818.db2.gz FUCZGTCMGOWWRI-MRVPVSSYSA-N 0 3 361.729 1.758 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N3CCCOCC3)CC2)n1 ZINC000596269671 552669866 /nfs/dbraw/zinc/66/98/66/552669866.db2.gz XQSIQUWVJQIXBK-UHFFFAOYSA-N 0 3 364.402 1.468 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c(Br)cccc1[N+](=O)[O-] ZINC000596288290 552671221 /nfs/dbraw/zinc/67/12/21/552671221.db2.gz GOBAQROVVHLSNX-JTQLQIEISA-N 0 3 371.235 1.914 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596487633 552683343 /nfs/dbraw/zinc/68/33/43/552683343.db2.gz IWFGGMUFQRLBDF-GFCCVEGCSA-N 0 3 356.448 1.775 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596638399 552695778 /nfs/dbraw/zinc/69/57/78/552695778.db2.gz URZUHTMELKDLON-UHFFFAOYSA-N 0 3 351.407 1.387 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096625 552746360 /nfs/dbraw/zinc/74/63/60/552746360.db2.gz CCTIHDSTZLGMNT-SNVBAGLBSA-N 0 3 357.798 1.673 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000598062616 552862188 /nfs/dbraw/zinc/86/21/88/552862188.db2.gz RXNWWTWRZDJQRZ-UHFFFAOYSA-N 0 3 358.402 1.365 20 5 FDBDHN CC1CCN(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598893902 552940241 /nfs/dbraw/zinc/94/02/41/552940241.db2.gz FTZWOHIWUKPEGQ-UHFFFAOYSA-N 0 3 363.418 1.564 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897969 552941133 /nfs/dbraw/zinc/94/11/33/552941133.db2.gz NCNDMNSLBTZIMZ-ZDUSSCGKSA-N 0 3 363.418 1.707 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939050 553178974 /nfs/dbraw/zinc/17/89/74/553178974.db2.gz GEQMZLTZXQQCRM-GJZGRUSLSA-N 0 3 363.414 1.663 20 5 FDBDHN CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000599986082 553193873 /nfs/dbraw/zinc/19/38/73/553193873.db2.gz MYXGQUZXKBZYTA-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986776 553194338 /nfs/dbraw/zinc/19/43/38/553194338.db2.gz ZVWDYJPYCMWKDX-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(N2CCCOCC2)CC1 ZINC000600006638 553198091 /nfs/dbraw/zinc/19/80/91/553198091.db2.gz AVMREWROAOIDOQ-UHFFFAOYSA-N 0 3 373.413 1.798 20 5 FDBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755430 553311481 /nfs/dbraw/zinc/31/14/81/553311481.db2.gz KCTSBOHHPWABSX-KSSFIOAISA-N 0 3 371.393 1.751 20 5 FDBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600753293 553311687 /nfs/dbraw/zinc/31/16/87/553311687.db2.gz AQMWKLNORQOCTC-CXAGYDPISA-N 0 3 371.393 1.751 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000601180536 553357180 /nfs/dbraw/zinc/35/71/80/553357180.db2.gz RGTJGAIHMDOYGN-CYBMUJFWSA-N 0 3 350.394 1.586 20 5 FDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000601422202 553401553 /nfs/dbraw/zinc/40/15/53/553401553.db2.gz PQGCGXBQENUDNX-YPMHNXCESA-N 0 3 364.427 1.856 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601649463 553452990 /nfs/dbraw/zinc/45/29/90/553452990.db2.gz OXKRBLDVPDWPDT-CQSZACIVSA-N 0 3 374.441 1.595 20 5 FDBDHN Cn1cc(CN2CCC(CCCN3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602608511 553610988 /nfs/dbraw/zinc/61/09/88/553610988.db2.gz VSQUOUAJGBRTBH-UHFFFAOYSA-N 0 3 351.451 1.653 20 5 FDBDHN CCOc1cc(N2CCN(C[C@@]3(OC)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000602638563 553616072 /nfs/dbraw/zinc/61/60/72/553616072.db2.gz PLYRQIGQDVDELI-SFHVURJKSA-N 0 3 365.430 1.921 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000603279177 553752130 /nfs/dbraw/zinc/75/21/30/553752130.db2.gz PBPYCGAFNFKORA-CHWSQXEVSA-N 0 3 373.461 1.682 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603428475 553786021 /nfs/dbraw/zinc/78/60/21/553786021.db2.gz NWVXWWZIEZCQNT-QFBILLFUSA-N 0 3 374.485 1.968 20 5 FDBDHN CN1CCC[C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000604198941 553853584 /nfs/dbraw/zinc/85/35/84/553853584.db2.gz MMYSJCAFLRIAOK-LBPRGKRZSA-N 0 3 362.386 1.493 20 5 FDBDHN Cc1sc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000609448774 554378137 /nfs/dbraw/zinc/37/81/37/554378137.db2.gz XWZWFAFYPISYGS-UHFFFAOYSA-N 0 3 368.459 1.637 20 5 FDBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](N2CCCC2)C1 ZINC000609560465 554393755 /nfs/dbraw/zinc/39/37/55/554393755.db2.gz CJFRELPQKMQWEO-GFCCVEGCSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609574726 554395737 /nfs/dbraw/zinc/39/57/37/554395737.db2.gz FPWCQMFDYRRBJA-UONOGXRCSA-N 0 3 370.413 1.970 20 5 FDBDHN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCCC1 ZINC000609620751 554403506 /nfs/dbraw/zinc/40/35/06/554403506.db2.gz JRPBVZUBWKMVQW-HNNXBMFYSA-N 0 3 361.446 1.903 20 5 FDBDHN COc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000610335383 554493061 /nfs/dbraw/zinc/49/30/61/554493061.db2.gz WFUXBSJZFADETI-AWEZNQCLSA-N 0 3 350.375 1.301 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000610404655 554500699 /nfs/dbraw/zinc/50/06/99/554500699.db2.gz HUYROLWMVYTNRV-KBPBESRZSA-N 0 3 362.434 1.304 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610892256 554576733 /nfs/dbraw/zinc/57/67/33/554576733.db2.gz WVFMOJKAYFKVTG-NVXWUHKLSA-N 0 3 374.441 1.657 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610925531 554581841 /nfs/dbraw/zinc/58/18/41/554581841.db2.gz XDPVNIYVKIWZGS-LBPRGKRZSA-N 0 3 351.407 1.424 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN(C3CCOCC3)CC1)OCCO2 ZINC000611273706 554621104 /nfs/dbraw/zinc/62/11/04/554621104.db2.gz WEGPVDPTMUTEAI-UHFFFAOYSA-N 0 3 363.414 1.663 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000611527231 554641885 /nfs/dbraw/zinc/64/18/85/554641885.db2.gz JVFRWUZMEFSMAF-AWEZNQCLSA-N 0 3 362.430 1.894 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619255142 555745633 /nfs/dbraw/zinc/74/56/33/555745633.db2.gz VCBCWJSVYHGXEE-MRXNPFEDSA-N 0 3 355.822 1.706 20 5 FDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000366031331 568259330 /nfs/dbraw/zinc/25/93/30/568259330.db2.gz FCBHYFNKJSGFRP-CYBMUJFWSA-N 0 3 350.394 1.632 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 ZINC000272024704 674406673 /nfs/dbraw/zinc/40/66/73/674406673.db2.gz WAOTXVXSYRFDFS-ZDUSSCGKSA-N 0 3 353.444 1.914 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646834 607472129 /nfs/dbraw/zinc/47/21/29/607472129.db2.gz BAIJHUOIUDTXHY-NHYWBVRUSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646834 607472131 /nfs/dbraw/zinc/47/21/31/607472131.db2.gz BAIJHUOIUDTXHY-NHYWBVRUSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646834 607472132 /nfs/dbraw/zinc/47/21/32/607472132.db2.gz BAIJHUOIUDTXHY-NHYWBVRUSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646834 607472135 /nfs/dbraw/zinc/47/21/35/607472135.db2.gz BAIJHUOIUDTXHY-NHYWBVRUSA-N 0 3 370.417 1.623 20 5 FDBDHN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000273507469 674543917 /nfs/dbraw/zinc/54/39/17/674543917.db2.gz ZSOPHBNTHBTVCR-QWHCGFSZSA-N 0 3 353.444 1.583 20 5 FDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824605303 608482564 /nfs/dbraw/zinc/48/25/64/608482564.db2.gz HLBXYVCFEUEUPG-LLVKDONJSA-N 0 3 355.358 1.287 20 5 FDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824605303 608482566 /nfs/dbraw/zinc/48/25/66/608482566.db2.gz HLBXYVCFEUEUPG-LLVKDONJSA-N 0 3 355.358 1.287 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000275630419 674627156 /nfs/dbraw/zinc/62/71/56/674627156.db2.gz QDNUXMPJQXFQLQ-VXGBXAGGSA-N 0 3 350.375 1.176 20 5 FDBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277030709 674838235 /nfs/dbraw/zinc/83/82/35/674838235.db2.gz SCJOWDWZESWHBJ-ZWNOBZJWSA-N 0 3 351.359 1.809 20 5 FDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262426078 672787646 /nfs/dbraw/zinc/78/76/46/672787646.db2.gz COHXJIYZDZRDBS-MRVPVSSYSA-N 0 3 355.338 1.890 20 5 FDBDHN O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCN1CCCCC1 ZINC000289469148 676140922 /nfs/dbraw/zinc/14/09/22/676140922.db2.gz HCYHELBMRGOYGB-UHFFFAOYSA-N 0 3 353.400 1.615 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000292106419 676283867 /nfs/dbraw/zinc/28/38/67/676283867.db2.gz VALKFPSELARXOK-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000292892134 676325706 /nfs/dbraw/zinc/32/57/06/676325706.db2.gz VEAGLPNSKYRDNI-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN CC(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299364516 676530697 /nfs/dbraw/zinc/53/06/97/676530697.db2.gz WIGKFSPFLSERFA-GOEBONIOSA-N 0 3 351.403 1.183 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365025750 677344460 /nfs/dbraw/zinc/34/44/60/677344460.db2.gz ZMPYXIOROARYSD-NHYWBVRUSA-N 0 3 354.432 1.033 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000366693604 677460498 /nfs/dbraw/zinc/46/04/98/677460498.db2.gz UUIBVWMALCVMAL-UHFFFAOYSA-N 0 3 354.382 1.235 20 5 FDBDHN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000367045312 677481944 /nfs/dbraw/zinc/48/19/44/677481944.db2.gz KPPJTOZABKSUAV-OCCSQVGLSA-N 0 3 352.460 1.754 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000370425245 677576769 /nfs/dbraw/zinc/57/67/69/677576769.db2.gz RPZHPTDIQZWZRR-CQSZACIVSA-N 0 3 352.460 1.897 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000370425244 677576817 /nfs/dbraw/zinc/57/68/17/677576817.db2.gz RPZHPTDIQZWZRR-AWEZNQCLSA-N 0 3 352.460 1.897 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)CCCC2 ZINC000417347838 679759199 /nfs/dbraw/zinc/75/91/99/679759199.db2.gz ICCLTRSAPJHSLV-JKSUJKDBSA-N 0 3 354.428 1.502 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-]C[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000473909640 685341978 /nfs/dbraw/zinc/34/19/78/685341978.db2.gz CRGIYQSHGGRESK-CYBMUJFWSA-N 0 3 373.479 1.600 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000429248711 681028279 /nfs/dbraw/zinc/02/82/79/681028279.db2.gz ODNIHVCQBGRKRD-QLFBSQMISA-N 0 3 351.447 1.890 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431951303 681141068 /nfs/dbraw/zinc/14/10/68/681141068.db2.gz NILICXMWQMREEM-CQSZACIVSA-N 0 3 351.403 1.509 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000443492519 682308830 /nfs/dbraw/zinc/30/88/30/682308830.db2.gz OUQPLUSXMQEWCA-UHFFFAOYSA-N 0 3 371.459 1.250 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475096354 685558529 /nfs/dbraw/zinc/55/85/29/685558529.db2.gz NDVRXWUYRPKALI-STQMWFEESA-N 0 3 351.403 1.671 20 5 FDBDHN COC(=O)COc1ccc(CN2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790151 682712055 /nfs/dbraw/zinc/71/20/55/682712055.db2.gz JVLXCNSDONPFPN-ZDUSSCGKSA-N 0 3 352.387 1.741 20 5 FDBDHN CCCN(CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000461611939 684587195 /nfs/dbraw/zinc/58/71/95/684587195.db2.gz UEMREXDJNOISBQ-GFCCVEGCSA-N 0 3 371.459 1.849 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000469713591 684983372 /nfs/dbraw/zinc/98/33/72/684983372.db2.gz PJMCEVCAGBIZFI-CHWSQXEVSA-N 0 3 352.439 1.380 20 5 FDBDHN CS[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000495580462 687628046 /nfs/dbraw/zinc/62/80/46/687628046.db2.gz KCXXPSRYFTZEPS-LSDHHAIUSA-N 0 3 352.460 1.535 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000496261534 687646101 /nfs/dbraw/zinc/64/61/01/687646101.db2.gz IOLNRIWGOKUPSS-UHFFFAOYSA-N 0 3 368.459 1.586 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000502845593 688306158 /nfs/dbraw/zinc/30/61/58/688306158.db2.gz WCKCHXNIDMBJQT-NWDGAFQWSA-N 0 3 350.375 1.046 20 5 FDBDHN COc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000517868478 690098437 /nfs/dbraw/zinc/09/84/37/690098437.db2.gz UFPKIRPVNNEJGO-AWEZNQCLSA-N 0 3 351.403 1.786 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000520396809 690316951 /nfs/dbraw/zinc/31/69/51/690316951.db2.gz MULMEYJSZNBXEJ-HOTGVXAUSA-N 0 3 353.444 1.585 20 5 FDBDHN O=C1[C@@H](N[C@@H]2CCOC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934401405 782626485 /nfs/dbraw/zinc/62/64/85/782626485.db2.gz WKIRUODUQQODET-JKSUJKDBSA-N 0 3 361.398 1.628 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000478470624 782725233 /nfs/dbraw/zinc/72/52/33/782725233.db2.gz NYNXVVWVODHDJZ-UHFFFAOYSA-N 0 3 357.370 1.664 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000261854776 774520802 /nfs/dbraw/zinc/52/08/02/774520802.db2.gz VTEVFZFTYBBGBA-QGZVFWFLSA-N 0 3 355.398 1.883 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1[N+](=O)[O-] ZINC000933336417 777302541 /nfs/dbraw/zinc/30/25/41/777302541.db2.gz QBJICIUQSOZYOT-ZNMIVQPWSA-N 0 3 374.441 1.510 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000933338263 777333442 /nfs/dbraw/zinc/33/34/42/777333442.db2.gz VEQYIKAGLOXTFF-ZDUSSCGKSA-N 0 3 362.430 1.367 20 5 FDBDHN O=C(CCN1CCN([C@@H]2CCC[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375797072 784912948 /nfs/dbraw/zinc/91/29/48/784912948.db2.gz TYZSKARFBANOKB-SJORKVTESA-N 0 3 362.430 1.454 20 5 FDBDHN O=C(CCN1CCN([C@@H]2CCC[C@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375797070 784913143 /nfs/dbraw/zinc/91/31/43/784913143.db2.gz TYZSKARFBANOKB-IAGOWNOFSA-N 0 3 362.430 1.454 20 5 FDBDHN CN(CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)Cc1ccccc1 ZINC000511445456 786828717 /nfs/dbraw/zinc/82/87/17/786828717.db2.gz MPCSTJKJUXCJOA-UHFFFAOYSA-N 0 3 371.445 1.221 20 5 FDBDHN CC(C)(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000376307389 787221458 /nfs/dbraw/zinc/22/14/58/787221458.db2.gz OTHBLOVUZYHUKX-ZIAGYGMSSA-N 0 3 365.405 1.991 20 5 FDBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000893046702 792648267 /nfs/dbraw/zinc/64/82/67/792648267.db2.gz HFXUPSBULYDGJI-DYVFJYSZSA-N 0 3 363.418 1.965 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000415711793 792855959 /nfs/dbraw/zinc/85/59/59/792855959.db2.gz PXLGQIQDVURQFR-INIZCTEOSA-N 0 3 368.393 1.845 20 5 FDBDHN COc1cccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000290582549 793518383 /nfs/dbraw/zinc/51/83/83/793518383.db2.gz VYPZQIOOGYZAAL-CQSZACIVSA-N 0 3 359.386 1.812 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000419266788 810279922 /nfs/dbraw/zinc/27/99/22/810279922.db2.gz HPOKRHNXLSIOLF-CZUORRHYSA-N 0 3 370.409 1.897 20 5 FDBDHN CCC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000280689346 811895371 /nfs/dbraw/zinc/89/53/71/811895371.db2.gz JDROPBSULDWERW-INIZCTEOSA-N 0 3 374.441 1.930 20 5 FDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000420616680 813757642 /nfs/dbraw/zinc/75/76/42/813757642.db2.gz SRFKPMCBIAHDTQ-GJZGRUSLSA-N 0 3 370.409 1.741 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367069571 814299320 /nfs/dbraw/zinc/29/93/20/814299320.db2.gz XCGTXCKJALRXFM-DYVFJYSZSA-N 0 3 362.386 1.189 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425503288 816394749 /nfs/dbraw/zinc/39/47/49/816394749.db2.gz RWDYZKUTPPKNPA-AWEZNQCLSA-N 0 3 374.401 1.861 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000517734918 817554686 /nfs/dbraw/zinc/55/46/86/817554686.db2.gz CSUUMXASEOXAAG-UHFFFAOYSA-N 0 3 356.386 1.697 20 5 FDBDHN COCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428011091 820877211 /nfs/dbraw/zinc/87/72/11/820877211.db2.gz OGAWTNBPXSJYKK-UHFFFAOYSA-N 0 3 362.386 1.216 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000474820640 824482783 /nfs/dbraw/zinc/48/27/83/824482783.db2.gz SUBSHXBZRGJTNE-UHFFFAOYSA-N 0 3 366.466 1.587 20 5 FDBDHN Cc1c(NC(=O)CC[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)cccc1[N+](=O)[O-] ZINC000280944847 825832631 /nfs/dbraw/zinc/83/26/31/825832631.db2.gz IFVOFRYBGGHHHJ-UHFFFAOYSA-N 0 3 374.401 1.523 20 5 FDBDHN CN(Cc1nccn1C(F)F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432072 827814130 /nfs/dbraw/zinc/81/41/30/827814130.db2.gz 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CN(CCO)CCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000912607975 859950160 /nfs/dbraw/zinc/95/01/60/859950160.db2.gz AZNMMQLCKUMMAR-UHFFFAOYSA-N 0 3 364.427 1.714 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)c2ccc(F)cc2F)cc1 ZINC000916967285 882736681 /nfs/dbraw/zinc/73/66/81/882736681.db2.gz VRECSTSNNJILHT-IKGGRYGDSA-N 0 3 368.336 1.591 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)c2cccc(F)c2)cc1 ZINC000916967239 882736308 /nfs/dbraw/zinc/73/63/08/882736308.db2.gz RFTWYWSMDCDNLC-ULQDDVLXSA-N 0 3 350.346 1.451 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000915197998 875717838 /nfs/dbraw/zinc/71/78/38/875717838.db2.gz SZYVJARUXVTBMG-UHFFFAOYSA-N 0 3 363.462 1.418 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000272690117 879227213 /nfs/dbraw/zinc/22/72/13/879227213.db2.gz WYWWIGFGLHBNGT-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN CN1CCN(C(=N)Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC001168736138 879583035 /nfs/dbraw/zinc/58/30/35/879583035.db2.gz BMXSMHMDUDPDHG-UHFFFAOYSA-N 0 3 357.374 1.771 20 5 FDBDHN CCc1cnc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)o1 ZINC001035187319 885750634 /nfs/dbraw/zinc/75/06/34/885750634.db2.gz UCJDXTACDYMJLU-HUUCEWRRSA-N 0 3 362.430 1.717 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000499214482 886590583 /nfs/dbraw/zinc/59/05/83/886590583.db2.gz OEGXXCUYZARPMA-OAHLLOKOSA-N 0 3 364.402 1.103 20 5 FDBDHN CN1CCC(NC(=S)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000920308978 886855710 /nfs/dbraw/zinc/85/57/10/886855710.db2.gz KVPYTXBYBLGYRF-UHFFFAOYSA-N 0 3 364.475 1.081 20 5 FDBDHN Cn1ccnc1[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000373105766 887109386 /nfs/dbraw/zinc/10/93/86/887109386.db2.gz BVUOPUJOHNWYKL-HOCLYGCPSA-N 0 3 360.414 1.948 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000923275661 888703858 /nfs/dbraw/zinc/70/38/58/888703858.db2.gz FNVLMEAEMASGMA-GXTWGEPZSA-N 0 3 365.455 1.988 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ZINC001169011315 928221175 /nfs/dbraw/zinc/22/11/75/928221175.db2.gz JTNXRECPFOKHAD-CABCVRRESA-N 0 3 356.467 1.574 20 5 FDBDHN O=C(NC1CCCC1)c1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025249 928250461 /nfs/dbraw/zinc/25/04/61/928250461.db2.gz SYCLXZQCIJYJEL-OCCSQVGLSA-N 0 3 361.446 1.819 20 5 FDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000789593506 933112486 /nfs/dbraw/zinc/11/24/86/933112486.db2.gz WWBDBWGDYMQVCE-AWEZNQCLSA-N 0 3 367.362 1.611 20 5 FDBDHN CCOC(=O)C1=C(Nc2ccc(CC(=O)OC)c([N+](=O)[O-])c2)CCNC1 ZINC001170521401 940305057 /nfs/dbraw/zinc/30/50/57/940305057.db2.gz VJFQWUXANXLHME-UHFFFAOYSA-N 0 3 363.370 1.533 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000813104064 941325926 /nfs/dbraw/zinc/32/59/26/941325926.db2.gz JJUMVDXOFGYPIF-FVCCEPFGSA-N 0 3 372.443 1.492 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813110858 941335234 /nfs/dbraw/zinc/33/52/34/941335234.db2.gz KUDMAOMCVXVZJF-OCCSQVGLSA-N 0 3 352.362 1.815 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000813114992 941336148 /nfs/dbraw/zinc/33/61/48/941336148.db2.gz IORURVLMTIVEIN-SNVBAGLBSA-N 0 3 360.388 1.204 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813113751 941336222 /nfs/dbraw/zinc/33/62/22/941336222.db2.gz UQDGJCJCGJTYCK-ZIAGYGMSSA-N 0 3 370.427 1.604 20 5 FDBDHN CC(COC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[N+](=O)[O-] ZINC000813114639 941336478 /nfs/dbraw/zinc/33/64/78/941336478.db2.gz DVVNLGNEJXQFBB-SECBINFHSA-N 0 3 374.396 1.642 20 5 FDBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813114297 941336505 /nfs/dbraw/zinc/33/65/05/941336505.db2.gz OZPKNPWVIQABSW-LBPRGKRZSA-N 0 3 356.400 1.296 20 5 FDBDHN Cc1ccc(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)cc1C ZINC000747966712 941697146 /nfs/dbraw/zinc/69/71/46/941697146.db2.gz BZWPINFBAWMLSF-QFBILLFUSA-N 0 3 373.457 1.980 20 5 FDBDHN 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943436396 /nfs/dbraw/zinc/43/63/96/943436396.db2.gz FZWPUOSELVGVDY-LBPRGKRZSA-N 0 3 362.498 1.807 20 5 FDBDHN CN1CCN(CC2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000820496434 944072255 /nfs/dbraw/zinc/07/22/55/944072255.db2.gz YQFUHVJMHPMIPW-ROUUACIJSA-N 0 3 358.442 1.404 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000825223936 947059561 /nfs/dbraw/zinc/05/95/61/947059561.db2.gz QPWZGNFIZHGRMU-UHFFFAOYSA-N 0 3 368.409 1.145 20 5 FDBDHN CC([C@@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874754 950044326 /nfs/dbraw/zinc/04/43/26/950044326.db2.gz JYEXXFDFQCPFMT-PRHODGIISA-N 0 3 351.290 1.188 20 5 FDBDHN O=C1N[C@@H](C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC001198299838 972965693 /nfs/dbraw/zinc/96/56/93/972965693.db2.gz IFZCBBDOJWLYBY-ZIAGYGMSSA-N 0 3 365.386 1.155 20 5 FDBDHN CC(C)(O)CN1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000865656347 974407498 /nfs/dbraw/zinc/40/74/98/974407498.db2.gz WHMRFBDPIBTZKG-ZDUSSCGKSA-N 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986736887 /nfs/dbraw/zinc/73/68/87/986736887.db2.gz ZMJQSGOPWPRYDG-DZGCQCFKSA-N 0 3 352.387 1.913 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CO)(c2ccccc2)CC1 ZINC000293256433 988008717 /nfs/dbraw/zinc/00/87/17/988008717.db2.gz IOEKXQJFDPRXSJ-UHFFFAOYSA-N 0 3 357.410 1.783 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN([C@H]2CCOC2)CC1 ZINC000360733573 988132043 /nfs/dbraw/zinc/13/20/43/988132043.db2.gz LVZNIAYHQXCJBE-INIZCTEOSA-N 0 3 372.425 1.988 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294523395 988446315 /nfs/dbraw/zinc/44/63/15/988446315.db2.gz TZIQMGAZYSAHTL-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000363146903 988951848 /nfs/dbraw/zinc/95/18/48/988951848.db2.gz JKSJVWCYZXLJHV-LXXRFIIISA-N 0 3 372.425 1.549 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363692894 989398206 /nfs/dbraw/zinc/39/82/06/989398206.db2.gz OIQCKHSPMPWIQT-HOTGVXAUSA-N 0 3 374.441 1.788 20 5 FDBDHN Cc1cccnc1NC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370082574 989437618 /nfs/dbraw/zinc/43/76/18/989437618.db2.gz LFSJAZRJVNRRON-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000364158259 989504225 /nfs/dbraw/zinc/50/42/25/989504225.db2.gz CMDAQPSTAMKIJO-UHFFFAOYSA-N 0 3 361.402 1.390 20 5 FDBDHN C[C@@H](NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1=CCN(C)CC1 ZINC000364370063 989550857 /nfs/dbraw/zinc/55/08/57/989550857.db2.gz QDXVZLRGMXGWLW-UKRRQHHQSA-N 0 3 362.434 1.788 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000364926681 989896883 /nfs/dbraw/zinc/89/68/83/989896883.db2.gz CNKXMLSRAGYNHY-HNNXBMFYSA-N 0 3 361.446 1.418 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825722062 990063491 /nfs/dbraw/zinc/06/34/91/990063491.db2.gz RTZAXWQQVMTFTG-JKSUJKDBSA-N 0 3 351.403 1.197 20 5 FDBDHN O=C1NC(=O)[C@@]2(CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C2)N1 ZINC000371045402 990202157 /nfs/dbraw/zinc/20/21/57/990202157.db2.gz WMIBDOYCHHFWMD-FQEVSTJZSA-N 0 3 363.373 1.730 20 5 FDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@@H]1N1CCN(C)CC1 ZINC000371361215 990383064 /nfs/dbraw/zinc/38/30/64/990383064.db2.gz QVAJKDNFORNLID-ZFWWWQNUSA-N 0 3 361.446 1.275 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874851015 990580666 /nfs/dbraw/zinc/58/06/66/990580666.db2.gz YYACZBIGXZWIKF-HZPDHXFCSA-N 0 3 360.414 1.328 20 5 FDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000372606040 991263280 /nfs/dbraw/zinc/26/32/80/991263280.db2.gz MRWZVOYNUWRXOO-RTRPANQVSA-N 0 3 374.441 1.131 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889774284 998642677 /nfs/dbraw/zinc/64/26/77/998642677.db2.gz NTXKPQSATGCXGD-LSDHHAIUSA-N 0 3 363.414 1.421 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000826677134 998813965 /nfs/dbraw/zinc/81/39/65/998813965.db2.gz IYOGOHQQDXAPAL-NSHDSACASA-N 0 3 361.402 1.036 20 5 FDBDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267433610 999334688 /nfs/dbraw/zinc/33/46/88/999334688.db2.gz OGSUAOLCGBKNHF-OCCSQVGLSA-N 0 3 369.422 1.093 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000288354359 1000010499 /nfs/dbraw/zinc/01/04/99/1000010499.db2.gz VWPWGNHIPKFZGM-UHFFFAOYSA-N 0 3 365.390 1.179 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O)(C3CCC3)CC2)c1 ZINC000932822173 1005198472 /nfs/dbraw/zinc/19/84/72/1005198472.db2.gz QFJSWRBOQDEVJU-MRXNPFEDSA-N 0 3 350.415 1.962 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260157 1005723844 /nfs/dbraw/zinc/72/38/44/1005723844.db2.gz LCOAQSBPQXLBEV-COXVUDFISA-N 0 3 362.430 1.453 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000934570405 1005761892 /nfs/dbraw/zinc/76/18/92/1005761892.db2.gz JPBZQJMRGTWACL-CZUORRHYSA-N 0 3 357.414 1.879 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000935984749 1006207790 /nfs/dbraw/zinc/20/77/90/1006207790.db2.gz MNCCZWONBAKHSZ-GFCCVEGCSA-N 0 3 355.822 1.754 20 5 FDBDHN Cc1cc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000518295060 539405936 /nfs/dbraw/zinc/40/59/36/539405936.db2.gz PBOSXYZEFWLZJC-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000264554469 179134406 /nfs/dbraw/zinc/13/44/06/179134406.db2.gz LDRZNWWYVOTYCT-AWEZNQCLSA-N 0 3 352.391 1.422 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCCCCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000264959059 179252126 /nfs/dbraw/zinc/25/21/26/179252126.db2.gz ZJXYWYPLOHMIHR-UHFFFAOYSA-N 0 3 373.413 1.521 20 5 FDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN1CCN(C)CC1 ZINC000265087744 179283935 /nfs/dbraw/zinc/28/39/35/179283935.db2.gz BMRSLUGTBDMXSR-CYBMUJFWSA-N 0 3 368.409 1.112 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265166679 179302951 /nfs/dbraw/zinc/30/29/51/179302951.db2.gz ACYFAEKOEYKSDG-GFCCVEGCSA-N 0 3 356.448 1.281 20 5 FDBDHN COCCOC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265337238 179344367 /nfs/dbraw/zinc/34/43/67/179344367.db2.gz OKDDMLJVJXLZJU-OAHLLOKOSA-N 0 3 354.403 1.462 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265525207 179398621 /nfs/dbraw/zinc/39/86/21/179398621.db2.gz DIXKAIVWXUXGPD-UHFFFAOYSA-N 0 3 368.865 1.887 20 5 FDBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000524255403 539639937 /nfs/dbraw/zinc/63/99/37/539639937.db2.gz ZCUOGGFEHGPYFQ-OAHLLOKOSA-N 0 3 362.474 1.872 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268186024 180019213 /nfs/dbraw/zinc/01/92/13/180019213.db2.gz UMNCHIXEIMWXQP-IINYFYTJSA-N 0 3 354.432 1.398 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268197439 180021997 /nfs/dbraw/zinc/02/19/97/180021997.db2.gz NYFFNTZDOOJEEF-MLGOLLRUSA-N 0 3 360.414 1.314 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000268250417 180035758 /nfs/dbraw/zinc/03/57/58/180035758.db2.gz WWYARWYKSALMJX-SJKOYZFVSA-N 0 3 355.398 1.993 20 5 FDBDHN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000268800947 180163202 /nfs/dbraw/zinc/16/32/02/180163202.db2.gz DJPBBTRRLDUFSQ-MRXNPFEDSA-N 0 3 360.414 1.540 20 5 FDBDHN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397233 540159344 /nfs/dbraw/zinc/15/93/44/540159344.db2.gz IHSMNPODZBMRJG-QGZVFWFLSA-N 0 3 368.393 1.953 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COC[C@H]3CCCO3)C2)nc1 ZINC000533378368 540239989 /nfs/dbraw/zinc/23/99/89/540239989.db2.gz IBSXNHLAVWBGTR-FVQBIDKESA-N 0 3 366.418 1.033 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000537605931 540750894 /nfs/dbraw/zinc/75/08/94/540750894.db2.gz SNTVYGQDTRPDBK-UHFFFAOYSA-N 0 3 364.402 1.081 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000538390970 540852287 /nfs/dbraw/zinc/85/22/87/540852287.db2.gz WBELJBGNPTZNEE-GOEBONIOSA-N 0 3 355.460 1.960 20 5 FDBDHN CC(C)[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000540710918 541090790 /nfs/dbraw/zinc/09/07/90/541090790.db2.gz PWOKSHKHQNXETF-HIFRSBDPSA-N 0 3 371.459 1.666 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000543014990 541519687 /nfs/dbraw/zinc/51/96/87/541519687.db2.gz RYAHXKSVEXYLLM-NSHDSACASA-N 0 3 350.375 1.142 20 5 FDBDHN CCN1CCN([C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)CC1 ZINC000543437106 541592286 /nfs/dbraw/zinc/59/22/86/541592286.db2.gz FEIFBEFKDCXGDW-AWEZNQCLSA-N 0 3 356.430 1.754 20 5 FDBDHN CN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544675759 541807570 /nfs/dbraw/zinc/80/75/70/541807570.db2.gz WPDSDXKEYNBLTP-UHFFFAOYSA-N 0 3 353.398 1.883 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)ccn1 ZINC000545781492 542017361 /nfs/dbraw/zinc/01/73/61/542017361.db2.gz KPGVBSSTGCBDAN-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)Cc2ccccc2C1 ZINC000546089685 542093999 /nfs/dbraw/zinc/09/39/99/542093999.db2.gz WAFGEIICMMVLKG-UHFFFAOYSA-N 0 3 355.398 1.401 20 5 FDBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000286266284 183027736 /nfs/dbraw/zinc/02/77/36/183027736.db2.gz VURODIOGJHASJW-INIZCTEOSA-N 0 3 374.397 1.184 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000286458585 183071705 /nfs/dbraw/zinc/07/17/05/183071705.db2.gz USKYLDOPTPIPHI-QGZVFWFLSA-N 0 3 368.441 1.781 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286505284 183083992 /nfs/dbraw/zinc/08/39/92/183083992.db2.gz ACFCAPQWRIFUAN-JSGCOSHPSA-N 0 3 369.443 1.851 20 5 FDBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286630560 183114313 /nfs/dbraw/zinc/11/43/13/183114313.db2.gz 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CC1CCN(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000550654745 543144379 /nfs/dbraw/zinc/14/43/79/543144379.db2.gz RIVSFGIMBRPTJG-UHFFFAOYSA-N 0 3 374.441 1.328 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)n1 ZINC000552473927 543473415 /nfs/dbraw/zinc/47/34/15/543473415.db2.gz HSMOYUXRGVWVFZ-AWEZNQCLSA-N 0 3 361.402 1.853 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000072636806 172045828 /nfs/dbraw/zinc/04/58/28/172045828.db2.gz APEXBPGUMXBTOI-HNNXBMFYSA-N 0 3 370.413 1.908 20 5 FDBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074137947 172074077 /nfs/dbraw/zinc/07/40/77/172074077.db2.gz RPNRCWREILOZFW-HNNXBMFYSA-N 0 3 363.462 1.397 20 5 FDBDHN CC(C)C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(C)C ZINC000074137044 172074488 /nfs/dbraw/zinc/07/44/88/172074488.db2.gz VGQKWMPVKUUOIQ-AWEZNQCLSA-N 0 3 360.418 1.882 20 5 FDBDHN CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000077125570 172121845 /nfs/dbraw/zinc/12/18/45/172121845.db2.gz WFUPOMPGHOEMBX-MRXNPFEDSA-N 0 3 362.430 1.465 20 5 FDBDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088825175 172237643 /nfs/dbraw/zinc/23/76/43/172237643.db2.gz DDRQTHQBDAIUIT-UHFFFAOYSA-N 0 3 360.370 1.717 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090015305 172258931 /nfs/dbraw/zinc/25/89/31/172258931.db2.gz DHBJNHXJYQXTDD-UONOGXRCSA-N 0 3 368.459 1.090 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090015305 172258934 /nfs/dbraw/zinc/25/89/34/172258934.db2.gz DHBJNHXJYQXTDD-UONOGXRCSA-N 0 3 368.459 1.090 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000090551922 172266523 /nfs/dbraw/zinc/26/65/23/172266523.db2.gz NIDXZMORSMYWNI-KRWDZBQOSA-N 0 3 365.430 1.807 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000103449325 172365520 /nfs/dbraw/zinc/36/55/20/172365520.db2.gz 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CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000177807882 174158046 /nfs/dbraw/zinc/15/80/46/174158046.db2.gz XUJIJSABYMYHKO-CJNGLKHVSA-N 0 3 370.413 1.874 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000180199006 258363702 /nfs/dbraw/zinc/36/37/02/258363702.db2.gz VHROBUPPJMKBTR-CYBMUJFWSA-N 0 3 365.839 1.148 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173995025 258316568 /nfs/dbraw/zinc/31/65/68/258316568.db2.gz JMHGXQNKIDRACI-CYBMUJFWSA-N 0 3 357.432 1.708 20 5 FDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000178938130 258340552 /nfs/dbraw/zinc/34/05/52/258340552.db2.gz UVRXMZBGCSCJRP-QGZVFWFLSA-N 0 3 351.447 1.918 20 5 FDBDHN Cc1nn(CCC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000554128386 543750453 /nfs/dbraw/zinc/75/04/53/543750453.db2.gz JENDIFWFURUNKV-WOSRLPQWSA-N 0 3 363.462 1.987 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000556851299 544214644 /nfs/dbraw/zinc/21/46/44/544214644.db2.gz VJCBGTNPCFIVCG-GOSISDBHSA-N 0 3 372.381 1.035 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559465294 544697271 /nfs/dbraw/zinc/69/72/71/544697271.db2.gz LUYNGBAUOTWKAE-QZTJIDSGSA-N 0 3 363.414 1.751 20 5 FDBDHN CC(C)(CO)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000293236089 258863251 /nfs/dbraw/zinc/86/32/51/258863251.db2.gz YQVWDTMOPPLROH-MRXNPFEDSA-N 0 3 365.386 1.649 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297747073 258938579 /nfs/dbraw/zinc/93/85/79/258938579.db2.gz CWIVGXJOAJNTHU-UHFFFAOYSA-N 0 3 372.809 1.223 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299503340 259002304 /nfs/dbraw/zinc/00/23/04/259002304.db2.gz BRTDPHDQABWYFW-CMPLNLGQSA-N 0 3 368.821 1.985 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000299619255 259011077 /nfs/dbraw/zinc/01/10/77/259011077.db2.gz ZEADMVNDMWILAK-UHFFFAOYSA-N 0 3 369.425 1.932 20 5 FDBDHN CNC(=O)c1ccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301510547 259028966 /nfs/dbraw/zinc/02/89/66/259028966.db2.gz CZONOXBRHPBERL-CABCVRRESA-N 0 3 362.430 1.380 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330952676 259170902 /nfs/dbraw/zinc/17/09/02/259170902.db2.gz LHYHXWPIIGIROI-RTXFEEFZSA-N 0 3 352.439 1.426 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000331222790 259182173 /nfs/dbraw/zinc/18/21/73/259182173.db2.gz VVGWVENNSQSXOQ-UHFFFAOYSA-N 0 3 365.434 1.626 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000331222790 259182174 /nfs/dbraw/zinc/18/21/74/259182174.db2.gz VVGWVENNSQSXOQ-UHFFFAOYSA-N 0 3 365.434 1.626 20 5 FDBDHN CC(C)CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000331241560 259182858 /nfs/dbraw/zinc/18/28/58/259182858.db2.gz JZRMLWNLILBBOL-UHFFFAOYSA-N 0 3 350.419 1.335 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1C ZINC000331493074 259200024 /nfs/dbraw/zinc/20/00/24/259200024.db2.gz YLMBPDKVJMNTBR-UONOGXRCSA-N 0 3 362.430 1.644 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332048261 259237455 /nfs/dbraw/zinc/23/74/55/259237455.db2.gz SQZJVXAWFVFPKA-UHFFFAOYSA-N 0 3 363.414 1.709 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000332547720 259276287 /nfs/dbraw/zinc/27/62/87/259276287.db2.gz NZLHPXYZAKKTEZ-CABCVRRESA-N 0 3 361.446 1.909 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364179553 259725191 /nfs/dbraw/zinc/72/51/91/259725191.db2.gz GXYKIMLYGXOFMD-JKSUJKDBSA-N 0 3 365.386 1.849 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000368352470 260170258 /nfs/dbraw/zinc/17/02/58/260170258.db2.gz RXPYZZISJPMGBH-GOSISDBHSA-N 0 3 355.398 1.948 20 5 FDBDHN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000368602366 260208457 /nfs/dbraw/zinc/20/84/57/260208457.db2.gz NGJREFRLRJZJAX-ZDUSSCGKSA-N 0 3 361.446 1.418 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368616700 260210019 /nfs/dbraw/zinc/21/00/19/260210019.db2.gz FAKLUXKVOGISHT-HOTGVXAUSA-N 0 3 362.430 1.642 20 5 FDBDHN Cc1nn(C)c(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000368933126 260262743 /nfs/dbraw/zinc/26/27/43/260262743.db2.gz UCWNAHHLNPSDMZ-UHFFFAOYSA-N 0 3 358.402 1.773 20 5 FDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000374149715 261085287 /nfs/dbraw/zinc/08/52/87/261085287.db2.gz UJECWDAEVWHMQT-KKBFJZEXSA-N 0 3 364.446 1.822 20 5 FDBDHN CN1CC[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375038272 261254885 /nfs/dbraw/zinc/25/48/85/261254885.db2.gz LAEZLGAPOPSMJM-GOEBONIOSA-N 0 3 353.444 1.493 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375338620 261317702 /nfs/dbraw/zinc/31/77/02/261317702.db2.gz SBZHIJGLPBDPRT-LRDDRELGSA-N 0 3 366.805 1.834 20 5 FDBDHN Cn1cc([C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000375534112 261365022 /nfs/dbraw/zinc/36/50/22/261365022.db2.gz RQJWECJTFBHTJR-ZOESHWHXSA-N 0 3 355.398 1.542 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000409716141 262136276 /nfs/dbraw/zinc/13/62/76/262136276.db2.gz KCKBGXZAJNCXTB-OAHLLOKOSA-N 0 3 351.403 1.183 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270413804 674207265 /nfs/dbraw/zinc/20/72/65/674207265.db2.gz BOCSEFRZRFFUIR-CHWSQXEVSA-N 0 3 355.464 1.302 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270553678 674227275 /nfs/dbraw/zinc/22/72/75/674227275.db2.gz BWCBRRBWQGWXSA-NILFDRSVSA-N 0 3 352.460 1.899 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000608941821 492196091 /nfs/dbraw/zinc/19/60/91/492196091.db2.gz UEBSAIRYVYAHNE-UHFFFAOYSA-N 0 3 361.358 1.376 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCOCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271469645 674345640 /nfs/dbraw/zinc/34/56/40/674345640.db2.gz IQXPSISNHAKUSU-GFCCVEGCSA-N 0 3 360.432 1.705 20 5 FDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000271470289 674345879 /nfs/dbraw/zinc/34/58/79/674345879.db2.gz SHMRDLXDMVBXGK-CHWSQXEVSA-N 0 3 357.407 1.947 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000044532747 521965884 /nfs/dbraw/zinc/96/58/84/521965884.db2.gz GDXXJOSETXPIEH-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000060244347 522356194 /nfs/dbraw/zinc/35/61/94/522356194.db2.gz JIEPMOCCOFQYNR-INIZCTEOSA-N 0 3 353.444 1.985 20 5 FDBDHN CCN1CCC(N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073073216 522460741 /nfs/dbraw/zinc/46/07/41/522460741.db2.gz PUWFFQKRCNWSHF-UHFFFAOYSA-N 0 3 363.414 1.851 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063783708 522652507 /nfs/dbraw/zinc/65/25/07/522652507.db2.gz DWPVAJBWKBUDER-UHFFFAOYSA-N 0 3 353.398 1.074 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000074311631 522744216 /nfs/dbraw/zinc/74/42/16/522744216.db2.gz PJSVEIRGPVMVIU-UHFFFAOYSA-N 0 3 360.414 1.411 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Br)c2)c1 ZINC000048818562 522786085 /nfs/dbraw/zinc/78/60/85/522786085.db2.gz FBWHUHTYSNWOMU-ZDUSSCGKSA-N 0 3 355.192 1.705 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000065732890 522872131 /nfs/dbraw/zinc/87/21/31/522872131.db2.gz FHAHDZPVPJUQST-UHFFFAOYSA-N 0 3 367.475 1.578 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065939350 522922826 /nfs/dbraw/zinc/92/28/26/522922826.db2.gz RAWHSOGBJRACTA-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000066836052 523217120 /nfs/dbraw/zinc/21/71/20/523217120.db2.gz LPRRQEYOTDXAQQ-LBPRGKRZSA-N 0 3 365.386 1.817 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000079709675 523785829 /nfs/dbraw/zinc/78/58/29/523785829.db2.gz DYZROESOKDLWEF-ZFWWWQNUSA-N 0 3 358.402 1.356 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000156633450 524120736 /nfs/dbraw/zinc/12/07/36/524120736.db2.gz GRVCWYDPPCTZPR-WBMJQRKESA-N 0 3 355.398 1.822 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000121302122 524213705 /nfs/dbraw/zinc/21/37/05/524213705.db2.gz WLWMOJTXNYOILC-SECBINFHSA-N 0 3 368.333 1.885 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000111250135 524234676 /nfs/dbraw/zinc/23/46/76/524234676.db2.gz PBRLYYQYDSDACG-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000173247334 524354259 /nfs/dbraw/zinc/35/42/59/524354259.db2.gz QWWOOWYHLMKBOW-YPMHNXCESA-N 0 3 357.432 1.564 20 5 FDBDHN COCCN1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173645342 524426749 /nfs/dbraw/zinc/42/67/49/524426749.db2.gz FECJYUGPQHMLQN-KRWDZBQOSA-N 0 3 362.430 1.401 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000112870966 524577277 /nfs/dbraw/zinc/57/72/77/524577277.db2.gz VFGGJMFIMQYDQE-CVEARBPZSA-N 0 3 374.441 1.544 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151603922 524626293 /nfs/dbraw/zinc/62/62/93/524626293.db2.gz WWNKDPNXMXWANY-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000151621606 524632035 /nfs/dbraw/zinc/63/20/35/524632035.db2.gz HDPYEIYCABBPTN-QGZVFWFLSA-N 0 3 362.430 1.484 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000151632927 524635858 /nfs/dbraw/zinc/63/58/58/524635858.db2.gz XPAFVBFVHKPGRJ-CYBMUJFWSA-N 0 3 353.810 1.386 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000151636115 524638101 /nfs/dbraw/zinc/63/81/01/524638101.db2.gz SEIQHCQNDSHKHS-CQSZACIVSA-N 0 3 363.374 1.246 20 5 FDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159336492 524644338 /nfs/dbraw/zinc/64/43/38/524644338.db2.gz NYAVNQBXYAXUNZ-GOSISDBHSA-N 0 3 369.421 1.673 20 5 FDBDHN CC1CCC(N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000151714341 524663192 /nfs/dbraw/zinc/66/31/92/524663192.db2.gz UPTGFJAGEWTTBI-UHFFFAOYSA-N 0 3 364.450 1.697 20 5 FDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000159846495 524752078 /nfs/dbraw/zinc/75/20/78/524752078.db2.gz MAOCJELHDVZAKK-HUUCEWRRSA-N 0 3 351.403 1.008 20 5 FDBDHN NC(=O)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000174921238 524798518 /nfs/dbraw/zinc/79/85/18/524798518.db2.gz QKFISJBZLGEGPF-UHFFFAOYSA-N 0 3 359.386 1.925 20 5 FDBDHN CN1CCN(CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124100205 524901152 /nfs/dbraw/zinc/90/11/52/524901152.db2.gz NKKAFOWIUNZXPE-UHFFFAOYSA-N 0 3 359.430 1.372 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000152623945 524949774 /nfs/dbraw/zinc/94/97/74/524949774.db2.gz UEDLWQAZJXLJPL-KBOKABMXSA-N 0 3 372.425 1.373 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000152917234 525047347 /nfs/dbraw/zinc/04/73/47/525047347.db2.gz XHFOVYUALUIEQI-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000128371922 525532629 /nfs/dbraw/zinc/53/26/29/525532629.db2.gz KGSUORBCPLNLNQ-HOCLYGCPSA-N 0 3 355.398 1.934 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000128463190 525544883 /nfs/dbraw/zinc/54/48/83/525544883.db2.gz IIRKESXXOXGZAJ-UHFFFAOYSA-N 0 3 369.381 1.586 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CN1C1CC1 ZINC000128468736 525547128 /nfs/dbraw/zinc/54/71/28/525547128.db2.gz PBLKSJVNAAKXLA-UONOGXRCSA-N 0 3 374.441 1.786 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179748708 525622909 /nfs/dbraw/zinc/62/29/09/525622909.db2.gz DBHZKLJVCPTAGG-MAUKXSAKSA-N 0 3 374.397 1.664 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000119734981 525843244 /nfs/dbraw/zinc/84/32/44/525843244.db2.gz BKJQKKDHRUSNGN-PBHICJAKSA-N 0 3 370.409 1.393 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1C ZINC000131444630 525860658 /nfs/dbraw/zinc/86/06/58/525860658.db2.gz FKNGSFGEGOZQDW-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CC(C)(C)O)CC1 ZINC000171155684 525874722 /nfs/dbraw/zinc/87/47/22/525874722.db2.gz PBQFPEHBPZTZMS-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000108120999 525936162 /nfs/dbraw/zinc/93/61/62/525936162.db2.gz IHOBRNJVGHEAQW-JTQLQIEISA-N 0 3 365.419 1.262 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000120041584 525942802 /nfs/dbraw/zinc/94/28/02/525942802.db2.gz MWKKRIAAGHTUBF-PBHICJAKSA-N 0 3 357.414 1.818 20 5 FDBDHN O=C(NCC1CCN(CCO)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182441627 526176565 /nfs/dbraw/zinc/17/65/65/526176565.db2.gz JUUJDGGITJSJKS-UHFFFAOYSA-N 0 3 373.356 1.630 20 5 FDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120785299 526179238 /nfs/dbraw/zinc/17/92/38/526179238.db2.gz WPKXGAXLLIVTDM-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN CN(C)C(=O)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182495541 526192001 /nfs/dbraw/zinc/19/20/01/526192001.db2.gz VKFSEJYXZMNBNI-HNNXBMFYSA-N 0 3 365.430 1.525 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCN(c2ccccn2)CC1 ZINC000183866372 536059197 /nfs/dbraw/zinc/05/91/97/536059197.db2.gz FEWZKGPJLFBWJV-INIZCTEOSA-N 0 3 372.425 1.942 20 5 FDBDHN CCN(CCO)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183915219 536066520 /nfs/dbraw/zinc/06/65/20/536066520.db2.gz JEUOFHZAEFKWSJ-UHFFFAOYSA-N 0 3 361.851 1.771 20 5 FDBDHN CCN(CCO)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000183973440 536074103 /nfs/dbraw/zinc/07/41/03/536074103.db2.gz MTCUOZQSWYJGHE-UHFFFAOYSA-N 0 3 364.446 1.242 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000184308331 536130594 /nfs/dbraw/zinc/13/05/94/536130594.db2.gz PWDSSSPUCHOJMA-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184404356 536146914 /nfs/dbraw/zinc/14/69/14/536146914.db2.gz XZMYWILYYPKBGE-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000185307278 536205063 /nfs/dbraw/zinc/20/50/63/536205063.db2.gz NWCNWZOBHYULRL-KRWDZBQOSA-N 0 3 357.414 1.818 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246744358 537016870 /nfs/dbraw/zinc/01/68/70/537016870.db2.gz PSQYKKZFUHARBS-GOEBONIOSA-N 0 3 353.444 1.841 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000189704753 537083556 /nfs/dbraw/zinc/08/35/56/537083556.db2.gz GXRQDTVYNHZKKK-OAHLLOKOSA-N 0 3 351.403 1.969 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000247150093 537087330 /nfs/dbraw/zinc/08/73/30/537087330.db2.gz SVDSDCNZHQHABN-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247304556 537105750 /nfs/dbraw/zinc/10/57/50/537105750.db2.gz LOSLJKCPKOAJSE-DVOMOZLQSA-N 0 3 362.430 1.558 20 5 FDBDHN CN1CCC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248373942 537174603 /nfs/dbraw/zinc/17/46/03/537174603.db2.gz MSIGPBUWBBDMPB-WMLDXEAASA-N 0 3 367.471 1.785 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248568754 537192956 /nfs/dbraw/zinc/19/29/56/537192956.db2.gz KPONVHCGWSURIU-GOEBONIOSA-N 0 3 360.414 1.267 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000191839142 537213284 /nfs/dbraw/zinc/21/32/84/537213284.db2.gz JWGJYMHFAIFLEW-STQMWFEESA-N 0 3 353.423 1.430 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000248972716 537223395 /nfs/dbraw/zinc/22/33/95/537223395.db2.gz DKYMBYMKBAHQEP-UHOFOFEASA-N 0 3 368.340 1.550 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2c1cccc2CN1CCCC1 ZINC000363647144 537269367 /nfs/dbraw/zinc/26/93/67/537269367.db2.gz RNGDTSNUNGCUHC-UHFFFAOYSA-N 0 3 355.398 1.976 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000194724169 537321540 /nfs/dbraw/zinc/32/15/40/537321540.db2.gz QREFSYYQEBECAC-ZDUSSCGKSA-N 0 3 362.386 1.493 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276209821 537331113 /nfs/dbraw/zinc/33/11/13/537331113.db2.gz WBRNFMNNPSQVCB-NSHDSACASA-N 0 3 362.386 1.309 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000290359590 537333978 /nfs/dbraw/zinc/33/39/78/537333978.db2.gz ZKHAEJFNEUYKOI-UHFFFAOYSA-N 0 3 366.418 1.132 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000293203030 537388852 /nfs/dbraw/zinc/38/88/52/537388852.db2.gz IUDBQYZHNBJIIL-JKSUJKDBSA-N 0 3 373.413 1.940 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000293244534 537400013 /nfs/dbraw/zinc/40/00/13/537400013.db2.gz ZBXWWACLNNLFJF-GOEBONIOSA-N 0 3 366.805 1.959 20 5 FDBDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000299013146 537406265 /nfs/dbraw/zinc/40/62/65/537406265.db2.gz MDELCLIEUWKWFM-UHFFFAOYSA-N 0 3 357.414 1.600 20 5 FDBDHN CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CC1 ZINC000299013146 537406274 /nfs/dbraw/zinc/40/62/74/537406274.db2.gz MDELCLIEUWKWFM-UHFFFAOYSA-N 0 3 357.414 1.600 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000365323343 537486218 /nfs/dbraw/zinc/48/62/18/537486218.db2.gz CVLDNTXXXGMQMT-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000365323343 537486225 /nfs/dbraw/zinc/48/62/25/537486225.db2.gz CVLDNTXXXGMQMT-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000299256302 537516115 /nfs/dbraw/zinc/51/61/15/537516115.db2.gz RQOYSBQYHUBOPB-UHFFFAOYSA-N 0 3 365.386 1.207 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292122669 537710341 /nfs/dbraw/zinc/71/03/41/537710341.db2.gz WWGOZFBZFHUKPL-CQSZACIVSA-N 0 3 359.835 1.965 20 5 FDBDHN COC(=O)C[C@@]1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000411538409 537762514 /nfs/dbraw/zinc/76/25/14/537762514.db2.gz DWTHIEXPZUECLZ-INIZCTEOSA-N 0 3 351.359 1.235 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411561500 537776062 /nfs/dbraw/zinc/77/60/62/537776062.db2.gz AWSBKPFZUBRVKN-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C)C1=O ZINC000411701689 537829418 /nfs/dbraw/zinc/82/94/18/537829418.db2.gz YGPZSZKICKSBFM-AWEZNQCLSA-N 0 3 362.386 1.393 20 5 FDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416419516 537836893 /nfs/dbraw/zinc/83/68/93/537836893.db2.gz SVQIXSKINNURNE-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000411986402 537922819 /nfs/dbraw/zinc/92/28/19/537922819.db2.gz RCZMOECUJYSSIT-YJBOKZPZSA-N 0 3 359.430 1.359 20 5 FDBDHN CN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000412324649 537968949 /nfs/dbraw/zinc/96/89/49/537968949.db2.gz UYTRVHFNOLQZRM-DLBZAZTESA-N 0 3 360.458 1.841 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)cc1[N+](=O)[O-] ZINC000419281763 538020798 /nfs/dbraw/zinc/02/07/98/538020798.db2.gz XXFVADWADRWOEF-FFSVYQOJSA-N 0 3 362.430 1.666 20 5 FDBDHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H]1CN ZINC000423717442 538149492 /nfs/dbraw/zinc/14/94/92/538149492.db2.gz AYRMIHNRCVKOCR-XJKSGUPXSA-N 0 3 362.430 1.182 20 5 FDBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000444548553 538175048 /nfs/dbraw/zinc/17/50/48/538175048.db2.gz OPXOENRFYYDSDH-ZDUSSCGKSA-N 0 3 374.397 1.731 20 5 FDBDHN CC1(C)CCCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000444610444 538186357 /nfs/dbraw/zinc/18/63/57/538186357.db2.gz OVUHYVAGVJXNLY-UHFFFAOYSA-N 0 3 362.430 1.563 20 5 FDBDHN COC(=O)c1cc([N-]C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc([N+](=O)[O-])c1 ZINC000424093435 538233417 /nfs/dbraw/zinc/23/34/17/538233417.db2.gz RXGREHSWEODNPN-LBPRGKRZSA-N 0 3 374.357 1.150 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424285256 538270703 /nfs/dbraw/zinc/27/07/03/538270703.db2.gz FRKBHFNGMZYFLZ-XFBWCDHKSA-N 0 3 358.402 1.082 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CC[NH2+]C1 ZINC000440867446 538288935 /nfs/dbraw/zinc/28/89/35/538288935.db2.gz YEURABLRCQVHQT-QMMMGPOBSA-N 0 3 364.221 1.245 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1CCN(C)C ZINC000488678412 538761571 /nfs/dbraw/zinc/76/15/71/538761571.db2.gz VGBWZUPHQOHUHP-UHFFFAOYSA-N 0 3 365.419 1.182 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000474000133 538812313 /nfs/dbraw/zinc/81/23/13/538812313.db2.gz LJIXSTIQIMDUKK-INIZCTEOSA-N 0 3 354.359 1.042 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470142015 538829998 /nfs/dbraw/zinc/82/99/98/538829998.db2.gz QNIYADXDGZLBBP-OAHLLOKOSA-N 0 3 354.382 1.948 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000498487960 538835109 /nfs/dbraw/zinc/83/51/09/538835109.db2.gz GXFLPEJEJKCOSO-CYZMBNFOSA-N 0 3 364.402 1.435 20 5 FDBDHN CC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1CCOCC1 ZINC000480692423 538862980 /nfs/dbraw/zinc/86/29/80/538862980.db2.gz YZRSYXHCBMSQOT-GFCCVEGCSA-N 0 3 370.427 1.236 20 5 FDBDHN CC(C)CN1CCO[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000561750054 545942303 /nfs/dbraw/zinc/94/23/03/545942303.db2.gz OFZXBWWLOFOCDO-HZPDHXFCSA-N 0 3 367.446 1.281 20 5 FDBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](CN)C1 ZINC000563152852 546427420 /nfs/dbraw/zinc/42/74/20/546427420.db2.gz NBFMURSGDHSCOM-GFCCVEGCSA-N 0 3 371.235 1.001 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000563618399 546618177 /nfs/dbraw/zinc/61/81/77/546618177.db2.gz VFNIYDDZYWUTBL-RUGDWHBFSA-N 0 3 366.414 1.651 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000564016836 546775940 /nfs/dbraw/zinc/77/59/40/546775940.db2.gz AHTLBVCJYMXNNU-MRXNPFEDSA-N 0 3 374.441 1.606 20 5 FDBDHN CCc1ccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000564956391 547127737 /nfs/dbraw/zinc/12/77/37/547127737.db2.gz KVAIMGLIQCTKJU-HNNXBMFYSA-N 0 3 358.402 1.685 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(OCC(F)(F)F)c2)c1 ZINC000566105882 547605360 /nfs/dbraw/zinc/60/53/60/547605360.db2.gz AFBFTBLJLYCHLE-CYBMUJFWSA-N 0 3 374.319 1.883 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000567255549 548052587 /nfs/dbraw/zinc/05/25/87/548052587.db2.gz CTMGCYVGYHDMOD-ZDUSSCGKSA-N 0 3 362.430 1.510 20 5 FDBDHN C[C@@H]1C[C@@H]1N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000569303450 548866318 /nfs/dbraw/zinc/86/63/18/548866318.db2.gz LICZBZAIOGCDCH-JMSVASOKSA-N 0 3 368.459 1.409 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000571102534 549526866 /nfs/dbraw/zinc/52/68/66/549526866.db2.gz OGVXJKYTUNFVCJ-UHFFFAOYSA-N 0 3 358.402 1.631 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571666089 549728245 /nfs/dbraw/zinc/72/82/45/549728245.db2.gz QTLXPTNGAHFDGH-BFHYXJOUSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H](O)CC2CCCC2)c1 ZINC000571790439 549764727 /nfs/dbraw/zinc/76/47/27/549764727.db2.gz NSZQWLWJIRKVCW-OAHLLOKOSA-N 0 3 371.459 1.404 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000572689045 549972625 /nfs/dbraw/zinc/97/26/25/549972625.db2.gz JOWLDKZDZAOAPD-UHFFFAOYSA-N 0 3 374.397 1.625 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000572914410 550023129 /nfs/dbraw/zinc/02/31/29/550023129.db2.gz ONSFKBBLUDLQOQ-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN C[C@@H]1COCCN1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000574509785 550325635 /nfs/dbraw/zinc/32/56/35/550325635.db2.gz GJCBZBWTVIUKGP-CQSZACIVSA-N 0 3 362.430 1.718 20 5 FDBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575752679 550472365 /nfs/dbraw/zinc/47/23/65/550472365.db2.gz OGZLOOBTMLAAOQ-ZYHUDNBSSA-N 0 3 353.375 1.649 20 5 FDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000575802653 550477605 /nfs/dbraw/zinc/47/76/05/550477605.db2.gz RXJYHGTYIIUKPF-CYBMUJFWSA-N 0 3 370.356 1.158 20 5 FDBDHN COc1ccc(CC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000576229684 550525732 /nfs/dbraw/zinc/52/57/32/550525732.db2.gz KSSSBEXNAWVKKV-AWEZNQCLSA-N 0 3 351.403 1.109 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCN(C)C)n1 ZINC000576392929 550544047 /nfs/dbraw/zinc/54/40/47/550544047.db2.gz YZJBLCBYHZKALX-UHFFFAOYSA-N 0 3 362.390 1.077 20 5 FDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000577106944 550621274 /nfs/dbraw/zinc/62/12/74/550621274.db2.gz KVAIQHPXOSIDPG-CYBMUJFWSA-N 0 3 351.313 1.508 20 5 FDBDHN COC(=O)c1cc(C)nc(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000578853257 550808236 /nfs/dbraw/zinc/80/82/36/550808236.db2.gz KWUSVKQTYKOMJK-ZDUSSCGKSA-N 0 3 366.418 1.590 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000580208551 550955265 /nfs/dbraw/zinc/95/52/65/550955265.db2.gz GANRAFWLHZDWEP-UHFFFAOYSA-N 0 3 358.402 1.777 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000580796857 551019573 /nfs/dbraw/zinc/01/95/73/551019573.db2.gz GXTSYXPWJWOTCY-GDBMZVCRSA-N 0 3 366.414 1.604 20 5 FDBDHN C[C@H](Cc1cnn(C)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580802011 551020033 /nfs/dbraw/zinc/02/00/33/551020033.db2.gz HCAIGHAQZAJNEH-GFCCVEGCSA-N 0 3 352.416 1.323 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[NH2+]CCC2(F)F)c2ncccc12 ZINC000581131872 551055405 /nfs/dbraw/zinc/05/54/05/551055405.db2.gz ZIILVGVJZCPEMZ-LBPRGKRZSA-N 0 3 372.353 1.419 20 5 FDBDHN CN1CCC(Oc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000581388952 551083829 /nfs/dbraw/zinc/08/38/29/551083829.db2.gz DSAOQRHQZMLCTF-UHFFFAOYSA-N 0 3 359.386 1.721 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000581676209 551121481 /nfs/dbraw/zinc/12/14/81/551121481.db2.gz PDRFLQQWXAZXNL-OAHLLOKOSA-N 0 3 373.331 1.800 20 5 FDBDHN CSc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000581780775 551135350 /nfs/dbraw/zinc/13/53/50/551135350.db2.gz WVQPLWVVRYDGHG-CYBMUJFWSA-N 0 3 364.431 1.327 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](N3CCCC3)C2)c1F ZINC000582048835 551168017 /nfs/dbraw/zinc/16/80/17/551168017.db2.gz BBAWPQXGVOZICQ-LBPRGKRZSA-N 0 3 351.378 1.982 20 5 FDBDHN O=C([C@@H]1CNCc2ccccc21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583379322 551342768 /nfs/dbraw/zinc/34/27/68/551342768.db2.gz PYDPYKHJXMCKSF-RHSMWYFYSA-N 0 3 367.409 1.890 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000583579114 551372299 /nfs/dbraw/zinc/37/22/99/551372299.db2.gz XGQYEMCIAFWWFR-DOMZBBRYSA-N 0 3 357.432 1.420 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2ccc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000584408227 551492501 /nfs/dbraw/zinc/49/25/01/551492501.db2.gz BYUXRKPWDAITJH-UHFFFAOYSA-N 0 3 368.393 1.917 20 5 FDBDHN C[C@@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1=CCN(C)CC1 ZINC000589189958 551716424 /nfs/dbraw/zinc/71/64/24/551716424.db2.gz FASNXOMTGUOROA-CYBMUJFWSA-N 0 3 372.425 1.246 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210415 551764834 /nfs/dbraw/zinc/76/48/34/551764834.db2.gz ZUUWTZJVIQCQIA-ZWKOTPCHSA-N 0 3 363.414 1.751 20 5 FDBDHN COc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000590400397 551780300 /nfs/dbraw/zinc/78/03/00/551780300.db2.gz UGRCRVWFXDJGPJ-UHFFFAOYSA-N 0 3 362.430 1.231 20 5 FDBDHN CN1CCN(CC2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000590561671 551792736 /nfs/dbraw/zinc/79/27/36/551792736.db2.gz DCGKEWDKVQXHAM-UHFFFAOYSA-N 0 3 371.441 1.324 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566272 551793129 /nfs/dbraw/zinc/79/31/29/551793129.db2.gz XFTWXKIGSUSPPY-QZTJIDSGSA-N 0 3 372.425 1.940 20 5 FDBDHN COC(=O)c1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000591728937 551904177 /nfs/dbraw/zinc/90/41/77/551904177.db2.gz BONPEPGHSLLQDA-MRXNPFEDSA-N 0 3 360.366 1.911 20 5 FDBDHN C[S@](=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591750181 551906046 /nfs/dbraw/zinc/90/60/46/551906046.db2.gz WMMIUUIVIJZCOG-MQNRADLISA-N 0 3 364.423 1.862 20 5 FDBDHN NC(=O)Cc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591767628 551907155 /nfs/dbraw/zinc/90/71/55/551907155.db2.gz DSUAHUWBQMSYEF-MRXNPFEDSA-N 0 3 359.382 1.152 20 5 FDBDHN Cn1nc2c(c1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000591768757 551907237 /nfs/dbraw/zinc/90/72/37/551907237.db2.gz MOCKBQRCSPMAKZ-CQSZACIVSA-N 0 3 360.414 1.737 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2c(F)cccc2-n2cccn2)c1 ZINC000591770607 551907475 /nfs/dbraw/zinc/90/74/75/551907475.db2.gz SDPYGRYXSYHWTP-ZDUSSCGKSA-N 0 3 360.349 1.267 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2c(F)cccc2-n2cccn2)c1 ZINC000591770606 551907510 /nfs/dbraw/zinc/90/75/10/551907510.db2.gz SDPYGRYXSYHWTP-CYBMUJFWSA-N 0 3 360.349 1.267 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000592104278 551942315 /nfs/dbraw/zinc/94/23/15/551942315.db2.gz QOHXSIFZUOXAAD-UHFFFAOYSA-N 0 3 369.443 1.221 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242294 551966096 /nfs/dbraw/zinc/96/60/96/551966096.db2.gz RIYUAOQGMNQTTH-CHWSQXEVSA-N 0 3 352.439 1.284 20 5 FDBDHN COc1cc(CCNC(=O)[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000592480967 551999713 /nfs/dbraw/zinc/99/97/13/551999713.db2.gz QKLOMBOQNNBXCN-NSHDSACASA-N 0 3 373.356 1.516 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592489909 552001440 /nfs/dbraw/zinc/00/14/40/552001440.db2.gz WLXUAKWIGXPQTL-OAHLLOKOSA-N 0 3 364.402 1.069 20 5 FDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592554111 552008337 /nfs/dbraw/zinc/00/83/37/552008337.db2.gz CWROIYITOMNVMM-KBPBESRZSA-N 0 3 350.394 1.627 20 5 FDBDHN Cc1nn(CCC(=O)N2CCc3ccccc3[C@@H]2CN)c(C)c1[N+](=O)[O-] ZINC000592567792 552010216 /nfs/dbraw/zinc/01/02/16/552010216.db2.gz ZHIBODFLEHOBJI-INIZCTEOSA-N 0 3 357.414 1.883 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000592881530 552038687 /nfs/dbraw/zinc/03/86/87/552038687.db2.gz SUIOJEMCVBIXDH-NSHDSACASA-N 0 3 359.386 1.268 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000592881529 552038702 /nfs/dbraw/zinc/03/87/02/552038702.db2.gz SUIOJEMCVBIXDH-LLVKDONJSA-N 0 3 359.386 1.268 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593168413 552069098 /nfs/dbraw/zinc/06/90/98/552069098.db2.gz GSHGAVOOVULDDL-UHFFFAOYSA-N 0 3 363.418 1.449 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000593471752 552113870 /nfs/dbraw/zinc/11/38/70/552113870.db2.gz ZXEFDNCTTOJQGC-INIZCTEOSA-N 0 3 364.421 1.515 20 5 FDBDHN COc1cc(CN[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593670843 552170079 /nfs/dbraw/zinc/17/00/79/552170079.db2.gz VZYZLCGDUBMNDQ-WAAGHKOSSA-N 0 3 359.329 1.601 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000593720914 552182403 /nfs/dbraw/zinc/18/24/03/552182403.db2.gz MLCCJKNTMRSQOV-SJORKVTESA-N 0 3 369.425 1.924 20 5 FDBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027103 552240923 /nfs/dbraw/zinc/24/09/23/552240923.db2.gz MEZPUVXSMMOAEU-BYCMXARLSA-N 0 3 359.386 1.457 20 5 FDBDHN CCOc1cc(C(=O)N[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594450929 552313225 /nfs/dbraw/zinc/31/32/25/552313225.db2.gz ABHGREXCNQTGSF-NSHDSACASA-N 0 3 351.281 1.622 20 5 FDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594711942 552361153 /nfs/dbraw/zinc/36/11/53/552361153.db2.gz SECLKZKKTIKZKM-MLGOLLRUSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000595033752 552440370 /nfs/dbraw/zinc/44/03/70/552440370.db2.gz CLQXDAGTDKXQQZ-NEPJUHHUSA-N 0 3 357.432 1.536 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000595121918 552457992 /nfs/dbraw/zinc/45/79/92/552457992.db2.gz UWDJVFUHJKKOOD-UHFFFAOYSA-N 0 3 365.333 1.644 20 5 FDBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(CC)C1 ZINC000595131543 552461582 /nfs/dbraw/zinc/46/15/82/552461582.db2.gz NJMBCSASPJZXCO-ZDUSSCGKSA-N 0 3 364.402 1.485 20 5 FDBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1cccc(F)c1 ZINC000595226143 552497288 /nfs/dbraw/zinc/49/72/88/552497288.db2.gz QLLANOGSPGIHQG-HZPDHXFCSA-N 0 3 374.372 1.239 20 5 FDBDHN Cc1noc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595447019 552561957 /nfs/dbraw/zinc/56/19/57/552561957.db2.gz AKSDTENVMHHYGY-SFHVURJKSA-N 0 3 360.414 1.960 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595615257 552593221 /nfs/dbraw/zinc/59/32/21/552593221.db2.gz KZRLVISSARFJBQ-OAHLLOKOSA-N 0 3 367.402 1.573 20 5 FDBDHN COC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617509 552593315 /nfs/dbraw/zinc/59/33/15/552593315.db2.gz VMLZLYNILWRDBK-HNNXBMFYSA-N 0 3 367.402 1.573 20 5 FDBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000595616207 552593512 /nfs/dbraw/zinc/59/35/12/552593512.db2.gz QYTYDYQNTOMDKP-INIZCTEOSA-N 0 3 351.403 1.873 20 5 FDBDHN CCCN1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595807555 552618541 /nfs/dbraw/zinc/61/85/41/552618541.db2.gz QCSFRVXSUSLNRE-AWEZNQCLSA-N 0 3 362.434 1.306 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595897737 552630065 /nfs/dbraw/zinc/63/00/65/552630065.db2.gz IDMIXENGNSCQOL-FCLUMBPUSA-N 0 3 361.398 1.735 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595907088 552631730 /nfs/dbraw/zinc/63/17/30/552631730.db2.gz FXTUYJJKXNHGMR-UFBFGSQYSA-N 0 3 364.324 1.752 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596053113 552650387 /nfs/dbraw/zinc/65/03/87/552650387.db2.gz WOWUZYQKLCVNGN-LLVKDONJSA-N 0 3 355.338 1.722 20 5 FDBDHN CN(C)CCN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1=O ZINC000596289404 552671365 /nfs/dbraw/zinc/67/13/65/552671365.db2.gz BOHFFRDKPPCTKD-UHFFFAOYSA-N 0 3 371.235 1.568 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597207863 552760399 /nfs/dbraw/zinc/76/03/99/552760399.db2.gz HWNMWPXRLRXZAP-MBNYWOFBSA-N 0 3 369.443 1.867 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597586095 552809180 /nfs/dbraw/zinc/80/91/80/552809180.db2.gz LRRYBDSNIYGPBX-INIZCTEOSA-N 0 3 353.444 1.602 20 5 FDBDHN C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000598182480 552873218 /nfs/dbraw/zinc/87/32/18/552873218.db2.gz FTICOKDKOYHDPU-CYBMUJFWSA-N 0 3 350.419 1.177 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598536761 552906990 /nfs/dbraw/zinc/90/69/90/552906990.db2.gz WDEAZKVJLFRRNL-CYBMUJFWSA-N 0 3 350.419 1.649 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000598571191 552910514 /nfs/dbraw/zinc/91/05/14/552910514.db2.gz HVFVJUVYNIJYFZ-STQMWFEESA-N 0 3 364.402 1.249 20 5 FDBDHN Nc1nn2c(nc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2=O)[nH]1 ZINC000598620218 552916769 /nfs/dbraw/zinc/91/67/69/552916769.db2.gz JVLPWPBDFSDXIV-GFCCVEGCSA-N 0 3 369.385 1.118 20 5 FDBDHN Nc1nn2c([n-]1)nc(C[N@@H+]1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)cc2=O ZINC000598620218 552916771 /nfs/dbraw/zinc/91/67/71/552916771.db2.gz JVLPWPBDFSDXIV-GFCCVEGCSA-N 0 3 369.385 1.118 20 5 FDBDHN Nc1nn2c([n-]1)nc(C[N@H+]1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)cc2=O ZINC000598620218 552916772 /nfs/dbraw/zinc/91/67/72/552916772.db2.gz JVLPWPBDFSDXIV-GFCCVEGCSA-N 0 3 369.385 1.118 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000598913289 552943846 /nfs/dbraw/zinc/94/38/46/552943846.db2.gz IOCKFVDZFVXORV-LBPRGKRZSA-N 0 3 363.353 1.653 20 5 FDBDHN Cc1ccc(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1[N+](=O)[O-] ZINC000598991643 552954953 /nfs/dbraw/zinc/95/49/53/552954953.db2.gz PXMDBEAZXOXELB-CQSZACIVSA-N 0 3 353.386 1.709 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000599024400 552959115 /nfs/dbraw/zinc/95/91/15/552959115.db2.gz PEZMMQFRFQWISH-DOMZBBRYSA-N 0 3 357.432 1.420 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCCc3cccc(CN)c32)c([N+](=O)[O-])n1 ZINC000599101895 552967685 /nfs/dbraw/zinc/96/76/85/552967685.db2.gz KCIPIFOUSPDSCE-UHFFFAOYSA-N 0 3 365.415 1.411 20 5 FDBDHN COc1cc(N2CC(CN3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599109035 552968912 /nfs/dbraw/zinc/96/89/12/552968912.db2.gz RAGQZNNXTYVQAM-UHFFFAOYSA-N 0 3 354.838 1.940 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN(CCCF)CC1 ZINC000599671386 553118179 /nfs/dbraw/zinc/11/81/79/553118179.db2.gz SRMGERIFSITUTR-UHFFFAOYSA-N 0 3 366.393 1.870 20 5 FDBDHN COC(=O)C1C[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694503 553123825 /nfs/dbraw/zinc/12/38/25/553123825.db2.gz IBGZLQAWOCBOGI-YDHLFZDLSA-N 0 3 366.414 1.997 20 5 FDBDHN CN1CC=C(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000599736868 553134535 /nfs/dbraw/zinc/13/45/35/553134535.db2.gz JZRYFOBXGHKGHM-UHFFFAOYSA-N 0 3 359.361 1.911 20 5 FDBDHN CCOc1cc(NC(=O)C(=O)N(CC)CCN)c([N+](=O)[O-])cc1OCC ZINC000599888828 553167749 /nfs/dbraw/zinc/16/77/49/553167749.db2.gz XUIZCVNBVGAUPC-UHFFFAOYSA-N 0 3 368.390 1.138 20 5 FDBDHN CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCN(C)CC1 ZINC000599985549 553193828 /nfs/dbraw/zinc/19/38/28/553193828.db2.gz FPPZBPBLNFKJLS-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN CC(C)C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000601192315 553358339 /nfs/dbraw/zinc/35/83/39/553358339.db2.gz VGHADHTWWWDDMT-STQMWFEESA-N 0 3 352.439 1.317 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000601518919 553426366 /nfs/dbraw/zinc/42/63/66/553426366.db2.gz HRAOSSROWUKSKK-UHFFFAOYSA-N 0 3 362.411 1.891 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000603052550 553701760 /nfs/dbraw/zinc/70/17/60/553701760.db2.gz IXDVDEXGLUAEHM-SNVBAGLBSA-N 0 3 372.219 1.544 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603401030 553779923 /nfs/dbraw/zinc/77/99/23/553779923.db2.gz DOJDMEITONKUJN-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCCN1CCN(C)CC1 ZINC000609146709 554343454 /nfs/dbraw/zinc/34/34/54/554343454.db2.gz DKWVDTWMZAZPNP-UHFFFAOYSA-N 0 3 363.462 1.764 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609187998 554347287 /nfs/dbraw/zinc/34/72/87/554347287.db2.gz ZLBJKSFUEUWWEM-HNNXBMFYSA-N 0 3 365.430 1.933 20 5 FDBDHN CN(C)CCN(CCOCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609200027 554348898 /nfs/dbraw/zinc/34/88/98/554348898.db2.gz MCGPJLLGBAARSX-UHFFFAOYSA-N 0 3 374.825 1.653 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000609269569 554354435 /nfs/dbraw/zinc/35/44/35/554354435.db2.gz UEIPPNCQMGHFEY-CQSZACIVSA-N 0 3 350.419 1.624 20 5 FDBDHN CN1CCC[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609392312 554374253 /nfs/dbraw/zinc/37/42/53/554374253.db2.gz YHGNRBYCILVYND-SNVBAGLBSA-N 0 3 354.794 1.188 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000609532592 554388165 /nfs/dbraw/zinc/38/81/65/554388165.db2.gz NCVRUVCLNDLGMX-LRDDRELGSA-N 0 3 360.414 1.266 20 5 FDBDHN C[C@@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609574796 554395776 /nfs/dbraw/zinc/39/57/76/554395776.db2.gz YOPJPSQFOXTAFH-CZUORRHYSA-N 0 3 370.413 1.970 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609574725 554395791 /nfs/dbraw/zinc/39/57/91/554395791.db2.gz FPWCQMFDYRRBJA-KGLIPLIRSA-N 0 3 370.413 1.970 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609642293 554407248 /nfs/dbraw/zinc/40/72/48/554407248.db2.gz HYAFHGDBTFGJIM-CYBMUJFWSA-N 0 3 360.418 1.058 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000610209074 554473644 /nfs/dbraw/zinc/47/36/44/554473644.db2.gz QZKGAAAJICJFFF-MNOVXSKESA-N 0 3 368.821 1.577 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922251 554581480 /nfs/dbraw/zinc/58/14/80/554581480.db2.gz ATZRSVAUOZRMCN-NEPJUHHUSA-N 0 3 351.407 1.113 20 5 FDBDHN CN1C(=O)N[C@]2(CCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000611498390 554638271 /nfs/dbraw/zinc/63/82/71/554638271.db2.gz NCUXCJJBQHUEKX-ZBEGNZNMSA-N 0 3 350.350 1.544 20 5 FDBDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000611498388 554638322 /nfs/dbraw/zinc/63/83/22/554638322.db2.gz NCUXCJJBQHUEKX-BZNIZROVSA-N 0 3 350.350 1.544 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000611591166 554651022 /nfs/dbraw/zinc/65/10/22/554651022.db2.gz GVXCIQLRFLLMTI-SNVBAGLBSA-N 0 3 353.404 1.098 20 5 FDBDHN COC1(CO)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000618550790 555648629 /nfs/dbraw/zinc/64/86/29/555648629.db2.gz DQIKLLKMDKFXEX-UHFFFAOYSA-N 0 3 351.403 1.705 20 5 FDBDHN COC1(CO)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000618551296 555648949 /nfs/dbraw/zinc/64/89/49/555648949.db2.gz SMOZMUAFANBWEH-UHFFFAOYSA-N 0 3 351.403 1.705 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000618924249 555696500 /nfs/dbraw/zinc/69/65/00/555696500.db2.gz SFBCYLMITXQXSU-CXAGYDPISA-N 0 3 367.471 1.991 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000619254964 555745604 /nfs/dbraw/zinc/74/56/04/555745604.db2.gz RBHLGMVLMINFBB-GOSISDBHSA-N 0 3 360.414 1.534 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000619486793 555786247 /nfs/dbraw/zinc/78/62/47/555786247.db2.gz YEFQVTQNGPODIW-NWDGAFQWSA-N 0 3 357.432 1.564 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000619491651 555788003 /nfs/dbraw/zinc/78/80/03/555788003.db2.gz FNFCXHOWVRHJDD-QWHCGFSZSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cncn2)cc1 ZINC000181871949 568053979 /nfs/dbraw/zinc/05/39/79/568053979.db2.gz IQQFKVIAOHWHBK-ZDUSSCGKSA-N 0 3 354.370 1.688 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000366034680 568260204 /nfs/dbraw/zinc/26/02/04/568260204.db2.gz YDQSGJSQCVFFPM-CQSZACIVSA-N 0 3 361.446 1.418 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000291709859 568278384 /nfs/dbraw/zinc/27/83/84/568278384.db2.gz GGWFSSVERAINHF-RHSMWYFYSA-N 0 3 357.414 1.961 20 5 FDBDHN C[NH+](C)CCN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586338 607329385 /nfs/dbraw/zinc/32/93/85/607329385.db2.gz TYZJJZIOSWRUFL-UHFFFAOYSA-N 0 3 368.401 1.738 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272311892 674430561 /nfs/dbraw/zinc/43/05/61/674430561.db2.gz IIVZGMQOSZCIHY-NWDGAFQWSA-N 0 3 367.456 1.717 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738357151 599441446 /nfs/dbraw/zinc/44/14/46/599441446.db2.gz CZPPCAOZMQWKFW-LBPRGKRZSA-N 0 3 373.417 1.688 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738357151 599441449 /nfs/dbraw/zinc/44/14/49/599441449.db2.gz CZPPCAOZMQWKFW-LBPRGKRZSA-N 0 3 373.417 1.688 20 5 FDBDHN Cc1cc(NCCN2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000272799187 674475530 /nfs/dbraw/zinc/47/55/30/674475530.db2.gz DKUDWMFFHCUTAK-UHFFFAOYSA-N 0 3 350.400 1.899 20 5 FDBDHN NC(=O)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000128509747 671777889 /nfs/dbraw/zinc/77/78/89/671777889.db2.gz KJCFMDQPFKMSKF-UHFFFAOYSA-N 0 3 352.366 1.792 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267314309 673288002 /nfs/dbraw/zinc/28/80/02/673288002.db2.gz MIWUYMHZHVNWMR-MRXNPFEDSA-N 0 3 366.443 1.395 20 5 FDBDHN COCCN(CCN(C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279693542 675332838 /nfs/dbraw/zinc/33/28/38/675332838.db2.gz UTMRXSGXFFAKKJ-UHFFFAOYSA-N 0 3 361.801 1.966 20 5 FDBDHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280011521 675373741 /nfs/dbraw/zinc/37/37/41/675373741.db2.gz TWQMRCUDCBNAGO-SNVBAGLBSA-N 0 3 357.388 1.239 20 5 FDBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCC1 ZINC000281661865 675542239 /nfs/dbraw/zinc/54/22/39/675542239.db2.gz XAQIWDMIJFZEBF-UHFFFAOYSA-N 0 3 364.427 1.906 20 5 FDBDHN CN1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281692445 675545956 /nfs/dbraw/zinc/54/59/56/675545956.db2.gz GENPEBHSDFJYQF-UHFFFAOYSA-N 0 3 350.419 1.116 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC1)OCCCO2 ZINC000292933385 676329330 /nfs/dbraw/zinc/32/93/30/676329330.db2.gz HDFWCUYWHHWMLJ-CQSZACIVSA-N 0 3 352.387 1.564 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000298631697 676483767 /nfs/dbraw/zinc/48/37/67/676483767.db2.gz QNXCFTJKHCKEBB-LBPRGKRZSA-N 0 3 373.812 1.893 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000316612476 676555349 /nfs/dbraw/zinc/55/53/49/676555349.db2.gz KJNCYWVVYLIUFK-LBPRGKRZSA-N 0 3 373.182 1.844 20 5 FDBDHN COCCCN1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000364212527 676999748 /nfs/dbraw/zinc/99/97/48/676999748.db2.gz FOFOYZOMKHIREG-UHFFFAOYSA-N 0 3 352.391 1.325 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701380 679481609 /nfs/dbraw/zinc/48/16/09/679481609.db2.gz ODVYHSCDGMIEFS-NSHDSACASA-N 0 3 359.180 1.467 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000473987448 685354529 /nfs/dbraw/zinc/35/45/29/685354529.db2.gz NFJJIVWVXLVBKF-GUYCJALGSA-N 0 3 350.371 1.804 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000422038781 680686538 /nfs/dbraw/zinc/68/65/38/680686538.db2.gz QPBSQPPZISOAGU-ZDUSSCGKSA-N 0 3 353.444 1.845 20 5 FDBDHN CCN(CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000444178035 682388869 /nfs/dbraw/zinc/38/88/69/682388869.db2.gz VCOHCHOYVGDXDQ-UHFFFAOYSA-N 0 3 373.431 1.375 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475093689 685558005 /nfs/dbraw/zinc/55/80/05/685558005.db2.gz HRZVNLQWINZFAR-OLZOCXBDSA-N 0 3 351.403 1.671 20 5 FDBDHN CC1(C)CCCN1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000452080083 683018892 /nfs/dbraw/zinc/01/88/92/683018892.db2.gz AVFKGYFYSBCNPB-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452365059 683060748 /nfs/dbraw/zinc/06/07/48/683060748.db2.gz NFBVGSJHHNCUJF-CYBMUJFWSA-N 0 3 351.403 1.570 20 5 FDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461898604 684600509 /nfs/dbraw/zinc/60/05/09/684600509.db2.gz GCRMRVQAOFSGLP-NWDGAFQWSA-N 0 3 359.835 1.915 20 5 FDBDHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461954640 684604185 /nfs/dbraw/zinc/60/41/85/684604185.db2.gz DFVLBAGDTKBTRJ-CQSZACIVSA-N 0 3 350.394 1.785 20 5 FDBDHN CCOc1cc(CSc2nnnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000492138512 687157686 /nfs/dbraw/zinc/15/76/86/687157686.db2.gz ZUPQQLBXBSJDID-UHFFFAOYSA-N 0 3 352.420 1.834 20 5 FDBDHN C[C@H](O)CN(C)C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497531488 687684896 /nfs/dbraw/zinc/68/48/96/687684896.db2.gz BXYWRBLIUNIZHP-LBPRGKRZSA-N 0 3 371.459 1.280 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000509741377 689306566 /nfs/dbraw/zinc/30/65/66/689306566.db2.gz UHTNQZYFUXCJMI-QMMMGPOBSA-N 0 3 373.207 1.362 20 5 FDBDHN COc1cc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510811260 689424620 /nfs/dbraw/zinc/42/46/20/689424620.db2.gz OPIDOHFMQUEPSK-CHWSQXEVSA-N 0 3 357.432 1.553 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000523659594 694537176 /nfs/dbraw/zinc/53/71/76/694537176.db2.gz JOBKEDIKQQUTKA-RYUDHWBXSA-N 0 3 350.375 1.003 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000532015122 694860456 /nfs/dbraw/zinc/86/04/56/694860456.db2.gz QQGHPJIFSKXSOX-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532854442 694892431 /nfs/dbraw/zinc/89/24/31/694892431.db2.gz JCVYACVOAFGZOA-NWDGAFQWSA-N 0 3 359.452 1.305 20 5 FDBDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000511113988 782714601 /nfs/dbraw/zinc/71/46/01/782714601.db2.gz FRCPTXMJHHHCST-GDBMZVCRSA-N 0 3 360.414 1.948 20 5 FDBDHN Cc1nn(CCC(=O)NC[C@H]2NCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000375962030 785388193 /nfs/dbraw/zinc/38/81/93/785388193.db2.gz FGGRTTRCUZDOON-MRXNPFEDSA-N 0 3 357.414 1.801 20 5 FDBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000376307385 787221795 /nfs/dbraw/zinc/22/17/95/787221795.db2.gz OTHBLOVUZYHUKX-KGLIPLIRSA-N 0 3 365.405 1.991 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377584564 792276086 /nfs/dbraw/zinc/27/60/86/792276086.db2.gz SJUIZCYCNIWLRU-LSDHHAIUSA-N 0 3 364.402 1.266 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893227232 794093425 /nfs/dbraw/zinc/09/34/25/794093425.db2.gz UGVZQVCPAIUWLU-SFHVURJKSA-N 0 3 365.430 1.631 20 5 FDBDHN O=C1CN([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c2ccccc2N1 ZINC000759913159 796177587 /nfs/dbraw/zinc/17/75/87/796177587.db2.gz ZVRWRIHGPJAWEE-CYBMUJFWSA-N 0 3 356.386 1.324 20 5 FDBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000893659349 808762614 /nfs/dbraw/zinc/76/26/14/808762614.db2.gz VGAMZPWUZDUGIZ-INIZCTEOSA-N 0 3 372.429 1.699 20 5 FDBDHN Cn1c(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397594842 810666315 /nfs/dbraw/zinc/66/63/15/810666315.db2.gz OSCZVIXCKNQJSB-UHFFFAOYSA-N 0 3 372.425 1.690 20 5 FDBDHN CCOc1cc(N2CCN(CC3(O)CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000280228497 811753425 /nfs/dbraw/zinc/75/34/25/811753425.db2.gz LZOJVLFXTHIIMF-UHFFFAOYSA-N 0 3 365.430 1.657 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000501498010 813436962 /nfs/dbraw/zinc/43/69/62/813436962.db2.gz ZPHFWDRPTCDUNO-UHFFFAOYSA-N 0 3 373.413 1.785 20 5 FDBDHN COC(=O)[C@H]1CN(C)CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000413492392 813860101 /nfs/dbraw/zinc/86/01/01/813860101.db2.gz CQDSFPPRTFUICU-ZDUSSCGKSA-N 0 3 358.398 1.992 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000421712860 814273981 /nfs/dbraw/zinc/27/39/81/814273981.db2.gz RNFYRGUWNNBSNI-AWEZNQCLSA-N 0 3 362.430 1.598 20 5 FDBDHN COCC(C)(C)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000425500419 816384998 /nfs/dbraw/zinc/38/49/98/816384998.db2.gz BJVZVWFXPWDVIY-HNNXBMFYSA-N 0 3 367.446 1.377 20 5 FDBDHN CCc1nn(C)c(CC)c1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518757938 817989652 /nfs/dbraw/zinc/98/96/52/817989652.db2.gz OQTKOGGDAWSBGR-CYBMUJFWSA-N 0 3 362.430 1.983 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843767063 819397962 /nfs/dbraw/zinc/39/79/62/819397962.db2.gz YECMJHOWQNXSBH-UHFFFAOYSA-N 0 3 352.410 1.800 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000522682606 825735420 /nfs/dbraw/zinc/73/54/20/825735420.db2.gz UORHDGYXEUABND-CJNGLKHVSA-N 0 3 370.413 1.970 20 5 FDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C)CCN(C)CC1 ZINC000897095920 826940367 /nfs/dbraw/zinc/94/03/67/826940367.db2.gz WZTNGKJLYHRJMI-UHFFFAOYSA-N 0 3 359.430 1.835 20 5 FDBDHN CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897219081 827178266 /nfs/dbraw/zinc/17/82/66/827178266.db2.gz JBEFCQWXCTWJEO-ZIAGYGMSSA-N 0 3 350.419 1.812 20 5 FDBDHN CN(Cc1noc2c1CCCC2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432230 827815615 /nfs/dbraw/zinc/81/56/15/827815615.db2.gz XURSILMRWOAULQ-GDBMZVCRSA-N 0 3 362.430 1.641 20 5 FDBDHN Cn1ccnc1[C@H](NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000449384619 829476103 /nfs/dbraw/zinc/47/61/03/829476103.db2.gz CELNZGNCJPLERD-QZTJIDSGSA-N 0 3 373.457 1.854 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450101649 829812179 /nfs/dbraw/zinc/81/21/79/829812179.db2.gz CWAVNEXUBYESLZ-SWLSCSKDSA-N 0 3 355.398 1.993 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450313507 829917628 /nfs/dbraw/zinc/91/76/28/829917628.db2.gz LDAZAVKHWAYDTM-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN COc1cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000451915280 830468753 /nfs/dbraw/zinc/46/87/53/830468753.db2.gz HJBNMNNXAXHOQS-OAHLLOKOSA-N 0 3 362.430 1.390 20 5 FDBDHN O=C(NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452375762 830637549 /nfs/dbraw/zinc/63/75/49/830637549.db2.gz JXIBJZBNFCXOJW-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN COc1cc(CN2CCN(C)CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000897855308 840432560 /nfs/dbraw/zinc/43/25/60/840432560.db2.gz YNFMTKUNCWQCIN-UHFFFAOYSA-N 0 3 352.435 1.291 20 5 FDBDHN CN(C)CCn1nccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899947435 846925889 /nfs/dbraw/zinc/92/58/89/846925889.db2.gz TVWGFPSVKIVMHR-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908202321 855187278 /nfs/dbraw/zinc/18/72/78/855187278.db2.gz NYTBCKSVQJICGK-LSDHHAIUSA-N 0 3 367.833 1.848 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908527039 855524643 /nfs/dbraw/zinc/52/46/43/855524643.db2.gz PGLRPZJZIJGLNW-LLVKDONJSA-N 0 3 359.785 1.964 20 5 FDBDHN COCCCCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105706873 855972689 /nfs/dbraw/zinc/97/26/89/855972689.db2.gz CDJAAEAVHNIVLV-IAGOWNOFSA-N 0 3 369.462 1.160 20 5 FDBDHN CN1CCC(N(CCO)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000911935823 859160037 /nfs/dbraw/zinc/16/00/37/859160037.db2.gz XNKZTWGDUKBTPK-UHFFFAOYSA-N 0 3 351.403 1.279 20 5 FDBDHN CSc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911937820 859164955 /nfs/dbraw/zinc/16/49/55/859164955.db2.gz PFWYHSCLGBAKQQ-UHFFFAOYSA-N 0 3 353.444 1.845 20 5 FDBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCN(CC2CC2)CC1 ZINC000057821398 863266269 /nfs/dbraw/zinc/26/62/69/863266269.db2.gz VVXADRFFNIWZDS-UHFFFAOYSA-N 0 3 369.425 1.804 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)c2ccccc2F)cc1 ZINC000914573107 874268369 /nfs/dbraw/zinc/26/83/69/874268369.db2.gz AROSGNGHXCCPMB-BBWFWOEESA-N 0 3 350.346 1.451 20 5 FDBDHN O=C(N[C@H]1CC[C@H](NCc2nc(C(F)F)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643816 884605675 /nfs/dbraw/zinc/60/56/75/884605675.db2.gz TVOZNPMIXXQCLC-ZYUZMQFOSA-N 0 3 359.333 1.189 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195153978 886246653 /nfs/dbraw/zinc/24/66/53/886246653.db2.gz UOMLGGHGMJFXNQ-UHFFFAOYSA-N 0 3 367.356 1.660 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272798623 888524531 /nfs/dbraw/zinc/52/45/31/888524531.db2.gz UQDJIPSCNSGIEW-CHWSQXEVSA-N 0 3 360.414 1.480 20 5 FDBDHN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018111 928238168 /nfs/dbraw/zinc/23/81/68/928238168.db2.gz BPNHZRCPFPRILT-KNIMUDFMSA-N 0 3 374.441 1.947 20 5 FDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123250 928380687 /nfs/dbraw/zinc/38/06/87/928380687.db2.gz ZCBYOVZYEIMRSS-VMPITWQZSA-N 0 3 372.425 1.375 20 5 FDBDHN COc1cccc(/C=C\CCN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001112835605 932560992 /nfs/dbraw/zinc/56/09/92/932560992.db2.gz GNNOITZWUJYADF-XKAVBEMJSA-N 0 3 359.426 1.908 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000788642459 932770576 /nfs/dbraw/zinc/77/05/76/932770576.db2.gz MRRHGHIZHLDZCP-LLVKDONJSA-N 0 3 366.399 1.325 20 5 FDBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000807270926 940289320 /nfs/dbraw/zinc/28/93/20/940289320.db2.gz CYNJSDZENHTKDG-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001131096848 940497336 /nfs/dbraw/zinc/49/73/36/940497336.db2.gz ZUCZVSVFJURRMR-ZDUSSCGKSA-N 0 3 358.402 1.778 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCOCC2)CC1 ZINC000747621014 941029015 /nfs/dbraw/zinc/02/90/15/941029015.db2.gz QCBHOJRCQFEMTM-UHFFFAOYSA-N 0 3 374.441 1.788 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@]12CCOC2 ZINC001195241617 970785159 /nfs/dbraw/zinc/78/51/59/970785159.db2.gz IAMAJNRNHATOMI-CZUORRHYSA-N 0 3 369.443 1.232 20 5 FDBDHN CC(COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000813099943 941325070 /nfs/dbraw/zinc/32/50/70/941325070.db2.gz HYJOAFOQLJUBSH-VIFPVBQESA-N 0 3 354.363 1.525 20 5 FDBDHN CC(COC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[N+](=O)[O-] ZINC000813102637 941325961 /nfs/dbraw/zinc/32/59/61/941325961.db2.gz HURUTMLKFUXZRW-SSDOTTSWSA-N 0 3 371.143 1.254 20 5 FDBDHN CC(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[N+](=O)[O-] ZINC000813104170 941326548 /nfs/dbraw/zinc/32/65/48/941326548.db2.gz XJVWWOQLSHDNRO-CKUKBARFSA-N 0 3 368.386 1.925 20 5 FDBDHN CC(COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)[N+](=O)[O-] ZINC000813103550 941326557 /nfs/dbraw/zinc/32/65/57/941326557.db2.gz QHSIVFRFKGZSCX-GDLVEWKHSA-N 0 3 355.391 1.332 20 5 FDBDHN CC(COC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[N+](=O)[O-] ZINC000813109658 941334322 /nfs/dbraw/zinc/33/43/22/941334322.db2.gz VAOVEGVQJBFOOO-CABZTGNLSA-N 0 3 369.761 1.753 20 5 FDBDHN CC(COC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813109048 941334369 /nfs/dbraw/zinc/33/43/69/941334369.db2.gz NRZZFOUGBICVJN-CQSZACIVSA-N 0 3 365.386 1.149 20 5 FDBDHN CC(COC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813111610 941335273 /nfs/dbraw/zinc/33/52/73/941335273.db2.gz ISVYEXWOOUIYAS-WBMJQRKESA-N 0 3 354.334 1.946 20 5 FDBDHN CC(COC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[N+](=O)[O-] ZINC000813113230 941335791 /nfs/dbraw/zinc/33/57/91/941335791.db2.gz OMXSQHMOUFQMAX-DLGFLZQMSA-N 0 3 369.418 1.722 20 5 FDBDHN COc1ccc(C(=O)NCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818967557 943384936 /nfs/dbraw/zinc/38/49/36/943384936.db2.gz WABUJLFCZHUVKL-QGZVFWFLSA-N 0 3 359.382 1.656 20 5 FDBDHN O=C1[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000819182005 943465294 /nfs/dbraw/zinc/46/52/94/943465294.db2.gz GFPMJRNJOPAMDQ-OLZOCXBDSA-N 0 3 361.320 1.771 20 5 FDBDHN CS(=O)(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000824080261 946210538 /nfs/dbraw/zinc/21/05/38/946210538.db2.gz AMERMVQDTCIHLN-MRXNPFEDSA-N 0 3 350.396 1.822 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844040889 947648235 /nfs/dbraw/zinc/64/82/35/947648235.db2.gz PEHKPWBBLUPYGQ-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN C[C@]1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001146874003 952253457 /nfs/dbraw/zinc/25/34/57/952253457.db2.gz OSWKJCSQACIPBA-KRWDZBQOSA-N 0 3 361.402 1.317 20 5 FDBDHN COC1(OC)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC001197315528 972192898 /nfs/dbraw/zinc/19/28/98/972192898.db2.gz JVBGXSAZIUXRAS-OAHLLOKOSA-N 0 3 367.402 1.288 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001603121060 972206222 /nfs/dbraw/zinc/20/62/22/972206222.db2.gz QGUQIILLPQWVLA-LBPRGKRZSA-N 0 3 364.402 1.451 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CN(c3ccncn3)C2)c1F ZINC001173178709 961953826 /nfs/dbraw/zinc/95/38/26/961953826.db2.gz HSSDYWXZZLDXFJ-LLVKDONJSA-N 0 3 361.377 1.942 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3C(=O)N(C)C[C@@H]3C2)c1F ZINC001173189444 961956921 /nfs/dbraw/zinc/95/69/21/961956921.db2.gz XDGXAZBBEYCIAS-WZRBSPASSA-N 0 3 351.378 1.694 20 5 FDBDHN CCC1(CC)CNC(=O)[C@H]1NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001176453289 963449240 /nfs/dbraw/zinc/44/92/40/963449240.db2.gz RJWCWYJKWCBPPG-OAHLLOKOSA-N 0 3 351.403 1.877 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852435478 967304966 /nfs/dbraw/zinc/30/49/66/967304966.db2.gz PEZVXGNJOVRAHN-AWEZNQCLSA-N 0 3 362.386 1.758 20 5 FDBDHN Cc1noc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)c1[N+](=O)[O-] ZINC000853888976 968404712 /nfs/dbraw/zinc/40/47/12/968404712.db2.gz LNLLXBZTUUZVOY-POYBYMJQSA-N 0 3 351.237 1.392 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854097160 968590882 /nfs/dbraw/zinc/59/08/82/968590882.db2.gz CIOKPEKSKNOSHO-ZDUSSCGKSA-N 0 3 365.434 1.317 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CC3(O)CCCCC3)C2)nc1 ZINC001191763785 968734444 /nfs/dbraw/zinc/73/44/44/968734444.db2.gz LIHQCKGSEQBCOR-HOCLYGCPSA-N 0 3 364.446 1.922 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865450435 974304919 /nfs/dbraw/zinc/30/49/19/974304919.db2.gz MQLHTJFPLAUEIM-CYBMUJFWSA-N 0 3 354.426 1.912 20 5 FDBDHN CNc1nccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000847487681 975713884 /nfs/dbraw/zinc/71/38/84/975713884.db2.gz HVYDOWQLWDRPOC-CYBMUJFWSA-N 0 3 363.418 1.405 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867813119 976920878 /nfs/dbraw/zinc/92/08/78/976920878.db2.gz RERKCDFSHBOVTI-PWSUYJOCSA-N 0 3 359.835 1.963 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849510669 977706293 /nfs/dbraw/zinc/70/62/93/977706293.db2.gz KUEYCXFUEPZCCN-DLBZAZTESA-N 0 3 357.414 1.680 20 5 FDBDHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858498480 982081231 /nfs/dbraw/zinc/08/12/31/982081231.db2.gz QBJHKJORYDRKSO-LERXQTSPSA-N 0 3 356.448 1.688 20 5 FDBDHN COC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000886911031 986731671 /nfs/dbraw/zinc/73/16/71/986731671.db2.gz ZPPOQNWGXQMGMK-BBRMVZONSA-N 0 3 351.403 1.589 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000360827687 988167400 /nfs/dbraw/zinc/16/74/00/988167400.db2.gz DSWGSMAFCQGWRN-OLZOCXBDSA-N 0 3 356.382 1.736 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000363517052 989264750 /nfs/dbraw/zinc/26/47/50/989264750.db2.gz YKAYAXNBRYXIDD-AWEZNQCLSA-N 0 3 361.446 1.158 20 5 FDBDHN CCc1[nH]nc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000370133749 989479529 /nfs/dbraw/zinc/47/95/29/989479529.db2.gz SRQQRKOWSGIQBL-NSHDSACASA-N 0 3 359.386 1.850 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298667852 990223196 /nfs/dbraw/zinc/22/31/96/990223196.db2.gz LWDUOWHLAFPYCS-UHFFFAOYSA-N 0 3 363.414 1.529 20 5 FDBDHN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])[n-]1 ZINC000468179630 993487225 /nfs/dbraw/zinc/48/72/25/993487225.db2.gz NVAXCCPCJJAZME-OAHLLOKOSA-N 0 3 358.398 1.810 20 5 FDBDHN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])[n-]1 ZINC000468179630 993487240 /nfs/dbraw/zinc/48/72/40/993487240.db2.gz NVAXCCPCJJAZME-OAHLLOKOSA-N 0 3 358.398 1.810 20 5 FDBDHN C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1F ZINC000889763236 998616953 /nfs/dbraw/zinc/61/69/53/998616953.db2.gz RWHHITPQYGWVDJ-ZLIFDBKOSA-N 0 3 365.405 1.895 20 5 FDBDHN COc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000889768144 998626799 /nfs/dbraw/zinc/62/67/99/998626799.db2.gz DBZXWOWFXVRFPP-CABCVRRESA-N 0 3 363.414 1.204 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889773440 998638871 /nfs/dbraw/zinc/63/88/71/998638871.db2.gz INGWLJSZIHMUQG-JKSUJKDBSA-N 0 3 367.377 1.170 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889774654 998643460 /nfs/dbraw/zinc/64/34/60/998643460.db2.gz QIMBYPKBMMQDFJ-QZTJIDSGSA-N 0 3 372.425 1.607 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288561761 1000027352 /nfs/dbraw/zinc/02/73/52/1000027352.db2.gz QFWOOCUWXNDGEL-GFCCVEGCSA-N 0 3 374.397 1.425 20 5 FDBDHN CN1CCN(C)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000933996189 1005675822 /nfs/dbraw/zinc/67/58/22/1005675822.db2.gz RSQLSLVRSCRONU-UHFFFAOYSA-N 0 3 369.853 1.366 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260158 1005723929 /nfs/dbraw/zinc/72/39/29/1005723929.db2.gz LCOAQSBPQXLBEV-KBRIMQKVSA-N 0 3 362.430 1.453 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000191973590 178079838 /nfs/dbraw/zinc/07/98/38/178079838.db2.gz MFSQYRHBXKHKAA-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194262704 178204347 /nfs/dbraw/zinc/20/43/47/178204347.db2.gz FNHSDVZHVRDCOY-INIZCTEOSA-N 0 3 372.429 1.613 20 5 FDBDHN CCS(=O)(=O)NCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237052912 178294771 /nfs/dbraw/zinc/29/47/71/178294771.db2.gz MFVNNGZBIUMGDX-UHFFFAOYSA-N 0 3 367.431 1.024 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000509466375 538949783 /nfs/dbraw/zinc/94/97/83/538949783.db2.gz ANDWPQIUPVKZNR-QWHCGFSZSA-N 0 3 350.419 1.956 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000512332232 538972396 /nfs/dbraw/zinc/97/23/96/538972396.db2.gz OFBUJOQSODETBK-UHFFFAOYSA-N 0 3 355.394 1.961 20 5 FDBDHN CC(C)(C)N1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000522107219 539540391 /nfs/dbraw/zinc/54/03/91/539540391.db2.gz HXFJKVLZFOSRGM-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264540203 179131119 /nfs/dbraw/zinc/13/11/19/179131119.db2.gz PHKUEIWTYGDNMN-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN CCN1CCN(CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264906441 179235992 /nfs/dbraw/zinc/23/59/92/179235992.db2.gz MPPIARUZVJERRX-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000265082419 179282508 /nfs/dbraw/zinc/28/25/08/179282508.db2.gz KEVGUHPSIQVXIV-UHFFFAOYSA-N 0 3 364.402 1.069 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268143889 180007719 /nfs/dbraw/zinc/00/77/19/180007719.db2.gz JPVHTELPYNYGRG-UHFFFAOYSA-N 0 3 352.410 1.881 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000268217221 180027363 /nfs/dbraw/zinc/02/73/63/180027363.db2.gz PSQAOWLHPZWSMC-SMDDNHRTSA-N 0 3 356.386 1.388 20 5 FDBDHN COc1ccc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000270687454 180517520 /nfs/dbraw/zinc/51/75/20/180517520.db2.gz VNRPDZXYVDWJAA-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000274091890 181024507 /nfs/dbraw/zinc/02/45/07/181024507.db2.gz UAXLKMTWBKLSNT-CYZMBNFOSA-N 0 3 364.402 1.564 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000274589411 181128807 /nfs/dbraw/zinc/12/88/07/181128807.db2.gz UWMNUOZOKCFBMC-UHFFFAOYSA-N 0 3 371.459 1.377 20 5 FDBDHN COCCO[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000534130154 540327823 /nfs/dbraw/zinc/32/78/23/540327823.db2.gz QNPXRUKWHOPIDI-WBVHZDCISA-N 0 3 354.403 1.462 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000534785569 540411884 /nfs/dbraw/zinc/41/18/84/540411884.db2.gz OSYIZHPYLHLYDT-HNNXBMFYSA-N 0 3 368.409 1.556 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000538527500 540866326 /nfs/dbraw/zinc/86/63/26/540866326.db2.gz MDFBFIYWURDWDG-CQSZACIVSA-N 0 3 362.430 1.503 20 5 FDBDHN CC(C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000539339459 540948897 /nfs/dbraw/zinc/94/88/97/540948897.db2.gz ZUETYOBSTAZJHV-VXGBXAGGSA-N 0 3 370.427 1.754 20 5 FDBDHN CCO[C@@H]1C[C@@](CO)(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000275455868 181322583 /nfs/dbraw/zinc/32/25/83/181322583.db2.gz BGZOWWFMVOJEKG-LESCRADOSA-N 0 3 368.430 1.490 20 5 FDBDHN CC(=O)NCC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275488026 181330859 /nfs/dbraw/zinc/33/08/59/181330859.db2.gz OYEYAENHWSVAJH-UHFFFAOYSA-N 0 3 366.393 1.911 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000541113436 541152177 /nfs/dbraw/zinc/15/21/77/541152177.db2.gz BVWOZIFWHPFHAT-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000541113435 541152210 /nfs/dbraw/zinc/15/22/10/541152210.db2.gz BVWOZIFWHPFHAT-TXEJJXNPSA-N 0 3 356.448 1.917 20 5 FDBDHN CCO[C@@H]1C[C@](CO)(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000275593628 181362815 /nfs/dbraw/zinc/36/28/15/181362815.db2.gz QZZGNAVMZFPMAV-MZMPZRCHSA-N 0 3 368.430 1.490 20 5 FDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296518763 184174705 /nfs/dbraw/zinc/17/47/05/184174705.db2.gz KPSGHOVBJCRUEF-LLVKDONJSA-N 0 3 354.382 1.827 20 5 FDBDHN O=C(C1CCN(C2CC2)CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296787241 184200283 /nfs/dbraw/zinc/20/02/83/184200283.db2.gz APJHQHTUSJFSQA-UHFFFAOYSA-N 0 3 359.430 1.513 20 5 FDBDHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296970980 184220436 /nfs/dbraw/zinc/22/04/36/184220436.db2.gz QUKRZAJKRVVXNY-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000297493745 184278087 /nfs/dbraw/zinc/27/80/87/184278087.db2.gz TWICIGYVWSEUBK-NEPJUHHUSA-N 0 3 364.377 1.676 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000297507590 184280044 /nfs/dbraw/zinc/28/00/44/184280044.db2.gz XLGUFZZHHFTQMK-CQSZACIVSA-N 0 3 366.418 1.249 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173286508 258295665 /nfs/dbraw/zinc/29/56/65/258295665.db2.gz VVKKGQVAMDDTJQ-QGZVFWFLSA-N 0 3 360.458 1.766 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1COc2ccccc2O1 ZINC000551812418 543344939 /nfs/dbraw/zinc/34/49/39/543344939.db2.gz CYQQGOOVNLUNKL-UONOGXRCSA-N 0 3 360.366 1.764 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000072628972 172046102 /nfs/dbraw/zinc/04/61/02/172046102.db2.gz QBKQMZGRHYLRRU-INIZCTEOSA-N 0 3 364.377 1.587 20 5 FDBDHN CC(C)CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(C)CC1 ZINC000074139600 172074751 /nfs/dbraw/zinc/07/47/51/172074751.db2.gz FHCZAHRHVRYARI-UHFFFAOYSA-N 0 3 350.419 1.335 20 5 FDBDHN NC(=O)c1ccc(CN2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000075937865 172099760 /nfs/dbraw/zinc/09/97/60/172099760.db2.gz LZJNVDGMPUBXOS-UHFFFAOYSA-N 0 3 362.430 1.238 20 5 FDBDHN COc1cc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)ccc1O ZINC000089972086 172255616 /nfs/dbraw/zinc/25/56/16/172255616.db2.gz APOYPYNMLPANMK-OAHLLOKOSA-N 0 3 362.386 1.531 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1CCN(C)CC1 ZINC000103453877 172367290 /nfs/dbraw/zinc/36/72/90/172367290.db2.gz KZFALTOLAACJGM-CYBMUJFWSA-N 0 3 362.430 1.513 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C2 ZINC000127709668 173087539 /nfs/dbraw/zinc/08/75/39/173087539.db2.gz PXFORNCOVCVFIB-LSDHHAIUSA-N 0 3 374.441 1.740 20 5 FDBDHN COC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128230920 173104100 /nfs/dbraw/zinc/10/41/00/173104100.db2.gz ROABLUNAYPBNGD-UHFFFAOYSA-N 0 3 353.350 1.948 20 5 FDBDHN CNC(=O)CC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128772823 173119100 /nfs/dbraw/zinc/11/91/00/173119100.db2.gz KFDLRXWDCJEMJL-UHFFFAOYSA-N 0 3 366.393 1.911 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000150815470 173382487 /nfs/dbraw/zinc/38/24/87/173382487.db2.gz ZHVXZZWQBHBJKQ-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN Cc1ccc([C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000150906493 173384857 /nfs/dbraw/zinc/38/48/57/173384857.db2.gz USHCCMBLPKWWRK-MRXNPFEDSA-N 0 3 360.418 1.702 20 5 FDBDHN CN(C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1)C(=O)OC(C)(C)C ZINC000176230802 174060234 /nfs/dbraw/zinc/06/02/34/174060234.db2.gz QMWKAYSCRKTACC-ZDUSSCGKSA-N 0 3 353.423 1.980 20 5 FDBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN(C[C@@H]4CCOC4)CC3)cc2N1 ZINC000176950997 174096923 /nfs/dbraw/zinc/09/69/23/174096923.db2.gz RCKRGMQQJVWPSP-ZDUSSCGKSA-N 0 3 360.414 1.638 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000181447731 174225538 /nfs/dbraw/zinc/22/55/38/174225538.db2.gz HBHCEIIAWYVUNX-DYVFJYSZSA-N 0 3 373.413 1.630 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173992402 258316818 /nfs/dbraw/zinc/31/68/18/258316818.db2.gz SAEJXSORXIFDEU-CYBMUJFWSA-N 0 3 357.432 1.708 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000180850502 258376206 /nfs/dbraw/zinc/37/62/06/258376206.db2.gz NBBKEACYNAWDBU-CHWSQXEVSA-N 0 3 350.419 1.796 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000180879941 258377003 /nfs/dbraw/zinc/37/70/03/258377003.db2.gz RCLPWHWGJNVQRX-INIZCTEOSA-N 0 3 373.413 1.064 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000186257209 258385411 /nfs/dbraw/zinc/38/54/11/258385411.db2.gz KNYPGYVRMOEIIW-OAHLLOKOSA-N 0 3 361.402 1.338 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000553352928 543615985 /nfs/dbraw/zinc/61/59/85/543615985.db2.gz BGOXSGLPMBGOPX-ZDUSSCGKSA-N 0 3 351.403 1.973 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301189161 259022702 /nfs/dbraw/zinc/02/27/02/259022702.db2.gz KYENEJQJDHNYSH-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN Cc1nn(C)c(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301271502 259024553 /nfs/dbraw/zinc/02/45/53/259024553.db2.gz JVAXBNXRXNCOGU-STQMWFEESA-N 0 3 351.451 1.962 20 5 FDBDHN CN1CCC[C@@H](N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)C1 ZINC000301309268 259025693 /nfs/dbraw/zinc/02/56/93/259025693.db2.gz XJZCMWGDAXRMLI-CYBMUJFWSA-N 0 3 372.429 1.460 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000301914467 259035626 /nfs/dbraw/zinc/03/56/26/259035626.db2.gz CXSUWUJKXVDDFB-CYBMUJFWSA-N 0 3 366.393 1.661 20 5 FDBDHN CCCN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330877427 259166784 /nfs/dbraw/zinc/16/67/84/259166784.db2.gz WMYPXEHILYERSW-QGZVFWFLSA-N 0 3 374.441 1.754 20 5 FDBDHN CS[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000331117278 259177123 /nfs/dbraw/zinc/17/71/23/259177123.db2.gz NYBIJVKIUHHFDR-KBPBESRZSA-N 0 3 359.398 1.920 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000332272933 259254546 /nfs/dbraw/zinc/25/45/46/259254546.db2.gz PWXRQVOHOCDUGX-QWHCGFSZSA-N 0 3 355.416 1.509 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367446471 260043176 /nfs/dbraw/zinc/04/31/76/260043176.db2.gz FFCNWKAUWOPNSO-KSSFIOAISA-N 0 3 358.398 1.131 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000367763726 260087741 /nfs/dbraw/zinc/08/77/41/260087741.db2.gz PQLSNHVYRQLXHF-IINYFYTJSA-N 0 3 366.805 1.739 20 5 FDBDHN O=C1NC(=O)C2(CCC(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)N1 ZINC000368583594 260205652 /nfs/dbraw/zinc/20/56/52/260205652.db2.gz JQHXIKXDVIBSKQ-UHFFFAOYSA-N 0 3 363.330 1.113 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369777333 260429358 /nfs/dbraw/zinc/42/93/58/260429358.db2.gz ISBLVBXXOUFVDD-CZUORRHYSA-N 0 3 361.446 1.275 20 5 FDBDHN N=C(NO)[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000373422602 261009197 /nfs/dbraw/zinc/00/91/97/261009197.db2.gz OBCLXTVDPLGZKH-ZDUSSCGKSA-N 0 3 353.354 1.873 20 5 FDBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374330472 261111673 /nfs/dbraw/zinc/11/16/73/261111673.db2.gz NXHTVMMAJLYGPH-QAPCUYQASA-N 0 3 360.458 1.622 20 5 FDBDHN CN1CC[C@@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000374858339 261212685 /nfs/dbraw/zinc/21/26/85/261212685.db2.gz UGWUHWKYDAKXTB-ZBFHGGJFSA-N 0 3 353.444 1.493 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N2CCCN([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375502040 261355462 /nfs/dbraw/zinc/35/54/62/261355462.db2.gz PPIZXTOPDXWSFP-HIFRSBDPSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CCN(C)CC1 ZINC000378366446 262012769 /nfs/dbraw/zinc/01/27/69/262012769.db2.gz BJFBQSFWJYCUIP-GFCCVEGCSA-N 0 3 352.460 1.897 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000270641593 674242628 /nfs/dbraw/zinc/24/26/28/674242628.db2.gz JJKREXXWRKWPPO-UKRRQHHQSA-N 0 3 368.459 1.519 20 5 FDBDHN CCOC(=O)c1ccnc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000270922021 674286902 /nfs/dbraw/zinc/28/69/02/674286902.db2.gz ATXUOUSJZLBDOR-NEPJUHHUSA-N 0 3 354.432 1.648 20 5 FDBDHN COC(=O)C1CCN(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502399510 490703346 /nfs/dbraw/zinc/70/33/46/490703346.db2.gz PWDZVIFXUSAIAC-UHFFFAOYSA-N 0 3 362.390 1.325 20 5 FDBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1OC ZINC000609074603 492197300 /nfs/dbraw/zinc/19/73/00/492197300.db2.gz WRGXBAVIGCJVDZ-NSHDSACASA-N 0 3 362.390 1.121 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041923333 519672589 /nfs/dbraw/zinc/67/25/89/519672589.db2.gz QGHDLHRWQFGPEU-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069529032 521905988 /nfs/dbraw/zinc/90/59/88/521905988.db2.gz GMXJKDYQKRICEG-GFCCVEGCSA-N 0 3 367.402 1.453 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089603 522153453 /nfs/dbraw/zinc/15/34/53/522153453.db2.gz JQYIWZMIHNNIRS-GFCCVEGCSA-N 0 3 354.432 1.177 20 5 FDBDHN CN(C)CCn1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cn1 ZINC000061634790 522481084 /nfs/dbraw/zinc/48/10/84/522481084.db2.gz DRTKLWAQAPZSAX-UHFFFAOYSA-N 0 3 356.386 1.946 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000062229970 522517792 /nfs/dbraw/zinc/51/77/92/522517792.db2.gz IMZMXUUQPRGNNV-MRXNPFEDSA-N 0 3 357.414 1.820 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066045618 522938617 /nfs/dbraw/zinc/93/86/17/522938617.db2.gz BDROOQZJTFJGPJ-UHFFFAOYSA-N 0 3 373.457 1.693 20 5 FDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000066373528 523036432 /nfs/dbraw/zinc/03/64/32/523036432.db2.gz CWWSTTXZLRATNV-UHFFFAOYSA-N 0 3 356.448 1.743 20 5 FDBDHN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@H]1CN ZINC000156969974 524184028 /nfs/dbraw/zinc/18/40/28/524184028.db2.gz RUXVGQJDETXTAQ-HZMBPMFUSA-N 0 3 355.416 1.198 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084133623 524288010 /nfs/dbraw/zinc/28/80/10/524288010.db2.gz RHENCGKAVGKAIR-SJLPKXTDSA-N 0 3 360.414 1.486 20 5 FDBDHN O=C(CN1CCN(c2ccncc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000151238491 524542470 /nfs/dbraw/zinc/54/24/70/524542470.db2.gz FYHSTHVVMTYPAU-UHFFFAOYSA-N 0 3 367.409 1.701 20 5 FDBDHN CCN(C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000174469771 524588147 /nfs/dbraw/zinc/58/81/47/524588147.db2.gz ACRRSQRKHRSETD-LBPRGKRZSA-N 0 3 369.443 1.412 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000151675993 524650920 /nfs/dbraw/zinc/65/09/20/524650920.db2.gz LDWVCDJLQXGTMS-QGZVFWFLSA-N 0 3 372.429 1.928 20 5 FDBDHN COc1ccc(OC)c([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174666175 524680169 /nfs/dbraw/zinc/68/01/69/524680169.db2.gz FCJCDVYOJHGBIP-DGCLKSJQSA-N 0 3 350.375 1.520 20 5 FDBDHN CC1CCC(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174789397 524738091 /nfs/dbraw/zinc/73/80/91/524738091.db2.gz OYDVVBFEUQYYOQ-VMBOVVBDSA-N 0 3 351.451 1.349 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152065557 524768617 /nfs/dbraw/zinc/76/86/17/524768617.db2.gz NCRXIXRDRKUACI-HNNXBMFYSA-N 0 3 361.402 1.365 20 5 FDBDHN N[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000152093941 524778296 /nfs/dbraw/zinc/77/82/96/524778296.db2.gz PYNHIYOMMYMFTR-CQSZACIVSA-N 0 3 357.366 1.725 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152380393 524865098 /nfs/dbraw/zinc/86/50/98/524865098.db2.gz UFOHGBODUNOVNO-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN O=C(CNC[C@@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160913766 524996319 /nfs/dbraw/zinc/99/63/19/524996319.db2.gz ZELUCVNCGJBGME-KRWDZBQOSA-N 0 3 363.414 1.733 20 5 FDBDHN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000153096754 525106135 /nfs/dbraw/zinc/10/61/35/525106135.db2.gz RJPCPBSOGOMWOV-HNNXBMFYSA-N 0 3 360.414 1.282 20 5 FDBDHN CN(C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000102324146 525281781 /nfs/dbraw/zinc/28/17/81/525281781.db2.gz HCPDEMXNUNJZTH-HNNXBMFYSA-N 0 3 359.430 1.816 20 5 FDBDHN CCCCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000117335533 525322906 /nfs/dbraw/zinc/32/29/06/525322906.db2.gz ZZCFXDQVWQXXNL-UHFFFAOYSA-N 0 3 350.375 1.480 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000128372125 525534036 /nfs/dbraw/zinc/53/40/36/525534036.db2.gz KGSUORBCPLNLNQ-ZBFHGGJFSA-N 0 3 355.398 1.934 20 5 FDBDHN CC[C@@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000129134077 525619853 /nfs/dbraw/zinc/61/98/53/525619853.db2.gz QVOAGSZVFKJYBC-LLVKDONJSA-N 0 3 360.336 2.000 20 5 FDBDHN CN(C)CCN1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000119122684 525643767 /nfs/dbraw/zinc/64/37/67/525643767.db2.gz YNWIJUAWADWCGE-UHFFFAOYSA-N 0 3 363.462 1.463 20 5 FDBDHN CCN1CCN([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639635 525652410 /nfs/dbraw/zinc/65/24/10/525652410.db2.gz REKXZJRIBULVBF-CYBMUJFWSA-N 0 3 361.446 1.917 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119363169 525719151 /nfs/dbraw/zinc/71/91/51/525719151.db2.gz YMNDOCXJYBAFBY-MRXNPFEDSA-N 0 3 366.849 1.987 20 5 FDBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)NCC1CCCC1 ZINC000155087323 525739320 /nfs/dbraw/zinc/73/93/20/525739320.db2.gz ZLGSURYXOFRIIV-UHFFFAOYSA-N 0 3 350.419 1.431 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000170885854 525754703 /nfs/dbraw/zinc/75/47/03/525754703.db2.gz AXAQYOGKYPNHCN-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H](CN3CCCC3)C2)cc1 ZINC000181904156 525975791 /nfs/dbraw/zinc/97/57/91/525975791.db2.gz JQDCNWOVVXQTNY-OAHLLOKOSA-N 0 3 367.471 1.786 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000110014196 526214190 /nfs/dbraw/zinc/21/41/90/526214190.db2.gz OIFFSTQFZIJLMG-UHFFFAOYSA-N 0 3 360.458 1.623 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000183881250 536061488 /nfs/dbraw/zinc/06/14/88/536061488.db2.gz ACBWRBKBWXIPLO-OCCSQVGLSA-N 0 3 360.414 1.374 20 5 FDBDHN CCN(CCO)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000183985742 536076370 /nfs/dbraw/zinc/07/63/70/536076370.db2.gz SVFCKEDVSBNGMF-UHFFFAOYSA-N 0 3 350.419 1.239 20 5 FDBDHN CC[C@@H]1CN(c2ccccc2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184019076 536082028 /nfs/dbraw/zinc/08/20/28/536082028.db2.gz OOYNVWARPBJZHP-QAPCUYQASA-N 0 3 359.430 1.753 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184221854 536118430 /nfs/dbraw/zinc/11/84/30/536118430.db2.gz VJMNCNPZIUUVCD-UHFFFAOYSA-N 0 3 366.466 1.022 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000184306018 536129680 /nfs/dbraw/zinc/12/96/80/536129680.db2.gz HYRKAXCOXMMGBP-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000184813576 536185183 /nfs/dbraw/zinc/18/51/83/536185183.db2.gz ZLVWHRRVDOWKJR-ZYHUDNBSSA-N 0 3 354.794 1.820 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCC2)c2ncccc12 ZINC000185410651 536207735 /nfs/dbraw/zinc/20/77/35/536207735.db2.gz GWHSIYNHZODSQX-UHFFFAOYSA-N 0 3 364.427 1.907 20 5 FDBDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185829539 536218700 /nfs/dbraw/zinc/21/87/00/536218700.db2.gz DJGUEMRWILZCLK-ZDUSSCGKSA-N 0 3 371.459 1.308 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000186017145 536223689 /nfs/dbraw/zinc/22/36/89/536223689.db2.gz DGHAZFWZOXWCKB-LBPRGKRZSA-N 0 3 368.821 1.275 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC000187267441 536259509 /nfs/dbraw/zinc/25/95/09/536259509.db2.gz NMBWSGQWVPPXFY-RHSMWYFYSA-N 0 3 350.419 1.655 20 5 FDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000188147391 536283789 /nfs/dbraw/zinc/28/37/89/536283789.db2.gz BTAYOEUAXFBNNU-UHFFFAOYSA-N 0 3 352.416 1.762 20 5 FDBDHN CSc1cccc(C(=O)NCC2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000188242854 536286967 /nfs/dbraw/zinc/28/69/67/536286967.db2.gz CINKHZIMBDBZAH-UHFFFAOYSA-N 0 3 353.444 1.751 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000246849711 537039117 /nfs/dbraw/zinc/03/91/17/537039117.db2.gz ZSVNXEJWKPSDHQ-GOSISDBHSA-N 0 3 359.430 1.360 20 5 FDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000246936527 537054212 /nfs/dbraw/zinc/05/42/12/537054212.db2.gz AJPPTRUNEMJXRX-HUUCEWRRSA-N 0 3 362.386 1.314 20 5 FDBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000189668011 537079365 /nfs/dbraw/zinc/07/93/65/537079365.db2.gz TUAUTHYWXYGYSL-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000247204959 537094398 /nfs/dbraw/zinc/09/43/98/537094398.db2.gz WNXNKUDABICJTG-SMDDNHRTSA-N 0 3 357.407 1.839 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189878264 537109685 /nfs/dbraw/zinc/10/96/85/537109685.db2.gz FXDRSXSLNHQOJR-ZBFHGGJFSA-N 0 3 367.446 1.112 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000263834627 537113306 /nfs/dbraw/zinc/11/33/06/537113306.db2.gz UBXNYEYMPNQOBO-BETUJISGSA-N 0 3 350.419 1.884 20 5 FDBDHN COc1ccc(OCCN2CCN(CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000189955748 537120482 /nfs/dbraw/zinc/12/04/82/537120482.db2.gz DXHDPUDMXVKDDP-AWEZNQCLSA-N 0 3 367.446 1.759 20 5 FDBDHN COCCCOC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266029357 537184866 /nfs/dbraw/zinc/18/48/66/537184866.db2.gz ZSFXBBZCQJQKIG-MRXNPFEDSA-N 0 3 368.430 1.852 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000248537312 537190215 /nfs/dbraw/zinc/19/02/15/537190215.db2.gz HFIDXZOSWXZCMG-DOTOQJQBSA-N 0 3 367.471 1.883 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249293159 537232318 /nfs/dbraw/zinc/23/23/18/537232318.db2.gz ATFXCIOFHMQCLT-GOEBONIOSA-N 0 3 367.446 1.112 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000282337620 537316632 /nfs/dbraw/zinc/31/66/32/537316632.db2.gz DLXVAHUOKWOUSO-NEPJUHHUSA-N 0 3 364.377 1.676 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000288258959 537472373 /nfs/dbraw/zinc/47/23/73/537472373.db2.gz GMEINWFJFVRYFM-HIFRSBDPSA-N 0 3 370.413 1.874 20 5 FDBDHN COCCN1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000299233578 537494685 /nfs/dbraw/zinc/49/46/85/537494685.db2.gz GDFKIROBTDCMFU-UHFFFAOYSA-N 0 3 366.418 1.513 20 5 FDBDHN C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293661422 537553844 /nfs/dbraw/zinc/55/38/44/537553844.db2.gz JJCHRSSWQUOMRJ-CQSZACIVSA-N 0 3 374.441 1.657 20 5 FDBDHN Cn1cc([C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277915660 537624151 /nfs/dbraw/zinc/62/41/51/537624151.db2.gz XQXXSMJIZNAABK-YJBOKZPZSA-N 0 3 360.414 1.805 20 5 FDBDHN C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCCN1 ZINC000237555094 537632040 /nfs/dbraw/zinc/63/20/40/537632040.db2.gz JYOHMGZGOCZFHN-INIZCTEOSA-N 0 3 366.443 1.473 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000366677669 537819389 /nfs/dbraw/zinc/81/93/89/537819389.db2.gz FNLIXFJFMYLPTQ-UHFFFAOYSA-N 0 3 364.446 1.580 20 5 FDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412090768 537953534 /nfs/dbraw/zinc/95/35/34/537953534.db2.gz GPEUHLUOMOVMPG-HNNXBMFYSA-N 0 3 367.446 1.377 20 5 FDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415425968 538042379 /nfs/dbraw/zinc/04/23/79/538042379.db2.gz MHYSUCHIDFRARA-SECBINFHSA-N 0 3 374.344 1.624 20 5 FDBDHN CN(C)CCOc1cnccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450529328 538141027 /nfs/dbraw/zinc/14/10/27/538141027.db2.gz UGHRMJFVOZRPRW-UHFFFAOYSA-N 0 3 356.386 1.841 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000419972451 538170779 /nfs/dbraw/zinc/17/07/79/538170779.db2.gz YRZZCVFNRKRJMY-QGZVFWFLSA-N 0 3 374.441 1.503 20 5 FDBDHN C[C@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCO1 ZINC000432863990 538182093 /nfs/dbraw/zinc/18/20/93/538182093.db2.gz GCAKBUAXXCNINE-LBPRGKRZSA-N 0 3 372.447 1.155 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451141018 538197867 /nfs/dbraw/zinc/19/78/67/538197867.db2.gz HDHDYIKZDCGXJM-SJORKVTESA-N 0 3 362.430 1.637 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000424004787 538211611 /nfs/dbraw/zinc/21/16/11/538211611.db2.gz QXVMTEXVCZJSSS-CQSZACIVSA-N 0 3 373.417 1.311 20 5 FDBDHN Cn1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440511161 538251301 /nfs/dbraw/zinc/25/13/01/538251301.db2.gz IOYHYVUXIYWODZ-GOSISDBHSA-N 0 3 358.398 1.300 20 5 FDBDHN C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424452137 538304330 /nfs/dbraw/zinc/30/43/30/538304330.db2.gz GKNHCMKFSJWSKY-KNXALSJPSA-N 0 3 358.402 1.526 20 5 FDBDHN NC(=O)CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOc2ccccc21 ZINC000451715803 538310555 /nfs/dbraw/zinc/31/05/55/538310555.db2.gz QWSGUJLLNLVRMD-AWEZNQCLSA-N 0 3 359.386 1.493 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461456689 538517679 /nfs/dbraw/zinc/51/76/79/538517679.db2.gz NTNDCLVENKRPDE-CABCVRRESA-N 0 3 355.398 1.912 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000560582788 545549547 /nfs/dbraw/zinc/54/95/47/545549547.db2.gz HTGXZGQGAAJJMW-RYUDHWBXSA-N 0 3 369.443 1.867 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000476074971 538855548 /nfs/dbraw/zinc/85/55/48/538855548.db2.gz XJFXJVDQCMHMNE-UHFFFAOYSA-N 0 3 353.448 1.420 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000561792607 545954646 /nfs/dbraw/zinc/95/46/46/545954646.db2.gz GZBGJKAMKZMTLC-ARFHVFGLSA-N 0 3 360.414 1.430 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000562297586 546081379 /nfs/dbraw/zinc/08/13/79/546081379.db2.gz ZELDCEYDBUCQHX-MRXNPFEDSA-N 0 3 372.425 1.820 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000562996479 546347170 /nfs/dbraw/zinc/34/71/70/546347170.db2.gz JXZQIZWNGYEWKK-CQSZACIVSA-N 0 3 350.400 1.759 20 5 FDBDHN CCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000563011321 546353438 /nfs/dbraw/zinc/35/34/38/546353438.db2.gz MBLXSGIERBCYGB-ZDUSSCGKSA-N 0 3 354.794 1.994 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Br)c(F)c2)c1 ZINC000564651381 546988995 /nfs/dbraw/zinc/98/89/95/546988995.db2.gz IRMYMFJEABZQOK-LLVKDONJSA-N 0 3 373.182 1.844 20 5 FDBDHN Cc1n[nH]cc1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564855222 547069077 /nfs/dbraw/zinc/06/90/77/547069077.db2.gz DTQTWXRNIKJEPA-UHFFFAOYSA-N 0 3 352.416 1.622 20 5 FDBDHN CCc1ccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000564956392 547127793 /nfs/dbraw/zinc/12/77/93/547127793.db2.gz KVAIMGLIQCTKJU-OAHLLOKOSA-N 0 3 358.402 1.685 20 5 FDBDHN CN1CCC(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000565200587 547251660 /nfs/dbraw/zinc/25/16/60/547251660.db2.gz HHJOHEHHNWSVEB-UHFFFAOYSA-N 0 3 372.429 1.798 20 5 FDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000565887545 547520237 /nfs/dbraw/zinc/52/02/37/547520237.db2.gz UVQCIAWEOGTJBH-KBPBESRZSA-N 0 3 371.459 1.067 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000566008890 547564440 /nfs/dbraw/zinc/56/44/40/547564440.db2.gz PYNYQJFGPPMESV-LBPRGKRZSA-N 0 3 364.793 1.776 20 5 FDBDHN CC(C)CC[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567680797 548210032 /nfs/dbraw/zinc/21/00/32/548210032.db2.gz FQRBWQSTKXUXTG-CQSZACIVSA-N 0 3 359.448 1.260 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000569363047 548891736 /nfs/dbraw/zinc/89/17/36/548891736.db2.gz XVVGQLKYDFYPOB-DOTOQJQBSA-N 0 3 364.373 1.667 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000569803145 549053303 /nfs/dbraw/zinc/05/33/03/549053303.db2.gz DNWHXMROKSVWQB-ZACQAIPSSA-N 0 3 364.377 1.801 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000571998898 549820427 /nfs/dbraw/zinc/82/04/27/549820427.db2.gz LHKXXIHLAVZGFO-DYVFJYSZSA-N 0 3 357.414 1.964 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000572387544 549903401 /nfs/dbraw/zinc/90/34/01/549903401.db2.gz GFCYNQUPNSUKQR-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572547026 549939688 /nfs/dbraw/zinc/93/96/88/549939688.db2.gz WPVZCVAQYICSTO-AWEZNQCLSA-N 0 3 374.441 1.470 20 5 FDBDHN CC(=O)Nc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000574271072 550286300 /nfs/dbraw/zinc/28/63/00/550286300.db2.gz PKMBJAMLRGGZAA-OAHLLOKOSA-N 0 3 360.370 1.478 20 5 FDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000576762590 550583311 /nfs/dbraw/zinc/58/33/11/550583311.db2.gz JBZVEQWWGFJMDQ-OAHLLOKOSA-N 0 3 359.386 1.613 20 5 FDBDHN CSC1(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000579901636 550921596 /nfs/dbraw/zinc/92/15/96/550921596.db2.gz ATLLAXLMZFSDCL-UHFFFAOYSA-N 0 3 369.491 1.742 20 5 FDBDHN CSc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000581780776 551135266 /nfs/dbraw/zinc/13/52/66/551135266.db2.gz WVQPLWVVRYDGHG-ZDUSSCGKSA-N 0 3 364.431 1.327 20 5 FDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000582280407 551200449 /nfs/dbraw/zinc/20/04/49/551200449.db2.gz NMZUDXLBAKOZBJ-KDOFPFPSSA-N 0 3 372.473 1.929 20 5 FDBDHN O=C1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000583929546 551421994 /nfs/dbraw/zinc/42/19/94/551421994.db2.gz POZRGOZOQKCTDR-GOEBONIOSA-N 0 3 371.393 1.730 20 5 FDBDHN CNc1nccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584189857 551461221 /nfs/dbraw/zinc/46/12/21/551461221.db2.gz XMUQSROGBGCZCH-OAHLLOKOSA-N 0 3 369.425 2.426 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000589838620 551747270 /nfs/dbraw/zinc/74/72/70/551747270.db2.gz MKAHEMVPIOQHNI-GFCCVEGCSA-N 0 3 374.397 1.181 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000590551549 551791204 /nfs/dbraw/zinc/79/12/04/551791204.db2.gz ZNAWVJFHBMZURB-SECBINFHSA-N 0 3 360.208 1.318 20 5 FDBDHN C[C@H]1COCCN1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000590554403 551791576 /nfs/dbraw/zinc/79/15/76/551791576.db2.gz BNJTWIHPIBVGLL-LBPRGKRZSA-N 0 3 373.413 1.796 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590564263 551793158 /nfs/dbraw/zinc/79/31/58/551793158.db2.gz ZCSJXXCODOTBFL-HUUCEWRRSA-N 0 3 359.386 1.406 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCN1CCCO)OCCO2 ZINC000590654836 551801639 /nfs/dbraw/zinc/80/16/39/551801639.db2.gz KVTDNQADUUKTON-CQSZACIVSA-N 0 3 351.403 1.302 20 5 FDBDHN O=C(NCc1ccc2c(c1)CNC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591681943 551896526 /nfs/dbraw/zinc/89/65/26/551896526.db2.gz OZEZKDVJJMDODX-UHFFFAOYSA-N 0 3 355.350 1.899 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(CO)c(F)c1 ZINC000591754767 551906265 /nfs/dbraw/zinc/90/62/65/551906265.db2.gz VQPNKKQCIDWSLT-AWEZNQCLSA-N 0 3 350.346 1.756 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCN(c3ccccn3)C2)c1 ZINC000591756979 551906532 /nfs/dbraw/zinc/90/65/32/551906532.db2.gz LMUMTNBMXOATLH-HOCLYGCPSA-N 0 3 358.398 1.598 20 5 FDBDHN CCOc1ccc2c(c1)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591761113 551907060 /nfs/dbraw/zinc/90/70/60/551907060.db2.gz VZIKOYDJYCBALP-XJKSGUPXSA-N 0 3 362.386 1.664 20 5 FDBDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000591966020 551921077 /nfs/dbraw/zinc/92/10/77/551921077.db2.gz IPIFNOCGSNTYMT-QWHCGFSZSA-N 0 3 363.418 1.417 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166879 551952308 /nfs/dbraw/zinc/95/23/08/551952308.db2.gz KHNPMPXSWNGGBL-QRVBRYPASA-N 0 3 374.441 1.610 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592199247 551957991 /nfs/dbraw/zinc/95/79/91/551957991.db2.gz SWPJPAYPMZYLMX-QWHCGFSZSA-N 0 3 365.386 1.088 20 5 FDBDHN CCOC(=O)c1cc(S(=O)(=O)NCCNC2CC2)cc([N+](=O)[O-])c1C ZINC000592366959 551985180 /nfs/dbraw/zinc/98/51/80/551985180.db2.gz MQMBYBJTHDVRDB-UHFFFAOYSA-N 0 3 371.415 1.110 20 5 FDBDHN Cc1nn(CCC(=O)N2CCc3ccccc3[C@H]2CN)c(C)c1[N+](=O)[O-] ZINC000592567794 552010149 /nfs/dbraw/zinc/01/01/49/552010149.db2.gz ZHIBODFLEHOBJI-MRXNPFEDSA-N 0 3 357.414 1.883 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592873666 552037667 /nfs/dbraw/zinc/03/76/67/552037667.db2.gz QFORWXJAGPTGKP-LBPRGKRZSA-N 0 3 373.413 1.197 20 5 FDBDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593091933 552060931 /nfs/dbraw/zinc/06/09/31/552060931.db2.gz NYFVKTCGGPBLFO-DZGCQCFKSA-N 0 3 368.434 1.739 20 5 FDBDHN CN1CCC(n2ccc(=NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[nH]2)CC1 ZINC000593140675 552066917 /nfs/dbraw/zinc/06/69/17/552066917.db2.gz GVAJGRKMGDEQBO-UHFFFAOYSA-N 0 3 361.377 2.378 20 5 FDBDHN CN(C)CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593235317 552075320 /nfs/dbraw/zinc/07/53/20/552075320.db2.gz RUNACZAIHFFNBF-UHFFFAOYSA-N 0 3 362.430 1.105 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCN2CCCC2)c1 ZINC000593391476 552100952 /nfs/dbraw/zinc/10/09/52/552100952.db2.gz MGINQQHGGVCVFN-UHFFFAOYSA-N 0 3 357.414 1.974 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1=O ZINC000593485972 552116220 /nfs/dbraw/zinc/11/62/20/552116220.db2.gz DVHLXGUEBCMPAO-UHFFFAOYSA-N 0 3 369.425 1.867 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594327932 552289185 /nfs/dbraw/zinc/28/91/85/552289185.db2.gz XWQIVGGGZFOFSU-LSDHHAIUSA-N 0 3 360.414 1.975 20 5 FDBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393398 552302137 /nfs/dbraw/zinc/30/21/37/552302137.db2.gz MCXBRHQSOGVHTB-JKSUJKDBSA-N 0 3 374.441 1.089 20 5 FDBDHN COc1ccc(CSCC(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451620 552313322 /nfs/dbraw/zinc/31/33/22/552313322.db2.gz OVXIQRYBSJKOBU-LLVKDONJSA-N 0 3 367.349 1.842 20 5 FDBDHN C[C@H]1CC[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000594494154 552326165 /nfs/dbraw/zinc/32/61/65/552326165.db2.gz VOBOBPQMOINATF-NWDGAFQWSA-N 0 3 359.473 1.747 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000594753377 552371225 /nfs/dbraw/zinc/37/12/25/552371225.db2.gz AFRSIXDMGVNLJM-ZDUSSCGKSA-N 0 3 354.432 1.629 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594986875 552432719 /nfs/dbraw/zinc/43/27/19/552432719.db2.gz IQEXAUQIHZUGEM-LSDHHAIUSA-N 0 3 350.371 1.540 20 5 FDBDHN O=[N+]([O-])c1cccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000594989805 552433309 /nfs/dbraw/zinc/43/33/09/552433309.db2.gz KJNSPECFHOJZGR-FQEVSTJZSA-N 0 3 371.437 1.948 20 5 FDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@@H]12 ZINC000595734622 552608326 /nfs/dbraw/zinc/60/83/26/552608326.db2.gz UMCBEZRCNFHCJG-XHSDSOJGSA-N 0 3 363.414 1.810 20 5 FDBDHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595834484 552621825 /nfs/dbraw/zinc/62/18/25/552621825.db2.gz ZZUDSYSOBGEBDD-HOCLYGCPSA-N 0 3 363.414 1.279 20 5 FDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595850017 552623366 /nfs/dbraw/zinc/62/33/66/552623366.db2.gz KCUWTZRVNQJVRT-GJZGRUSLSA-N 0 3 365.430 1.571 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595947528 552636861 /nfs/dbraw/zinc/63/68/61/552636861.db2.gz MMVZWZSAFFKKAC-SECBINFHSA-N 0 3 363.399 1.346 20 5 FDBDHN COC(=O)c1cc(NCCCN2CCC(O)CC2)cc(C)c1[N+](=O)[O-] ZINC000596086623 552653784 /nfs/dbraw/zinc/65/37/84/552653784.db2.gz UVQRRGKJOXTPCL-UHFFFAOYSA-N 0 3 351.403 1.949 20 5 FDBDHN COCC[NH+](CCOC)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596229654 552666681 /nfs/dbraw/zinc/66/66/81/552666681.db2.gz OUUSCVXHDZMFGM-UHFFFAOYSA-N 0 3 354.407 1.259 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596463130 552681533 /nfs/dbraw/zinc/68/15/33/552681533.db2.gz QUVGIWDXMSXGLN-UHFFFAOYSA-N 0 3 360.361 1.652 20 5 FDBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596580738 552691351 /nfs/dbraw/zinc/69/13/51/552691351.db2.gz QICKEAPCIZYZMF-UHFFFAOYSA-N 0 3 355.778 1.218 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597049841 552739403 /nfs/dbraw/zinc/73/94/03/552739403.db2.gz YYSBYHXHBNNTDW-SWLSCSKDSA-N 0 3 355.416 1.030 20 5 FDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000597193198 552759464 /nfs/dbraw/zinc/75/94/64/552759464.db2.gz VORYULCVIHHMPN-VWNJHIHFSA-N 0 3 368.455 1.708 20 5 FDBDHN CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(CC)C1 ZINC000597301457 552772022 /nfs/dbraw/zinc/77/20/22/552772022.db2.gz PHPPWFSGGRNZAP-HNNXBMFYSA-N 0 3 362.430 1.462 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000597402731 552784873 /nfs/dbraw/zinc/78/48/73/552784873.db2.gz UKQFXXQDHDCQCV-OAHLLOKOSA-N 0 3 374.441 1.686 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597574589 552806848 /nfs/dbraw/zinc/80/68/48/552806848.db2.gz QPOANLZWFJCFAE-MRXNPFEDSA-N 0 3 373.356 1.725 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597584491 552808977 /nfs/dbraw/zinc/80/89/77/552808977.db2.gz GIIFLVWACCKWKG-MRXNPFEDSA-N 0 3 355.366 1.271 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597693191 552822803 /nfs/dbraw/zinc/82/28/03/552822803.db2.gz BWKSPHZCKIVJLJ-GDBMZVCRSA-N 0 3 351.378 1.598 20 5 FDBDHN Nc1c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000597990252 552853136 /nfs/dbraw/zinc/85/31/36/552853136.db2.gz JZVBWMSEJHZBAL-OAHLLOKOSA-N 0 3 370.409 1.674 20 5 FDBDHN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(CC)C1 ZINC000598043217 552859964 /nfs/dbraw/zinc/85/99/64/552859964.db2.gz SAZJDSPKNOLJRT-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H](CN1CCCCC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589171 552912168 /nfs/dbraw/zinc/91/21/68/552912168.db2.gz DTURIXUSWVEEBB-CYBMUJFWSA-N 0 3 350.423 1.508 20 5 FDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598620464 552916782 /nfs/dbraw/zinc/91/67/82/552916782.db2.gz ARAILQKMPBFHQP-ZDUSSCGKSA-N 0 3 364.450 1.754 20 5 FDBDHN CCCN1CCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598625337 552917486 /nfs/dbraw/zinc/91/74/86/552917486.db2.gz NYHZHAAJCGHDHQ-ZDUSSCGKSA-N 0 3 350.423 1.508 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893739 552940291 /nfs/dbraw/zinc/94/02/91/552940291.db2.gz DHGDWAAJXPPVDV-CYBMUJFWSA-N 0 3 363.418 1.707 20 5 FDBDHN CC(C)N1CCC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598903625 552942383 /nfs/dbraw/zinc/94/23/83/552942383.db2.gz YDNNFPAGOPWTCO-AWEZNQCLSA-N 0 3 363.418 1.705 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598908329 552943363 /nfs/dbraw/zinc/94/33/63/552943363.db2.gz HILZDCCVHPUODF-CQSZACIVSA-N 0 3 363.418 1.705 20 5 FDBDHN COC(=O)[C@](C)(NC[C@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599655725 553114336 /nfs/dbraw/zinc/11/43/36/553114336.db2.gz WSDYWWAYXXVHBA-DOTOQJQBSA-N 0 3 351.403 1.028 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599936657 553177781 /nfs/dbraw/zinc/17/77/81/553177781.db2.gz AMJNCMWXJPZOHS-HZPDHXFCSA-N 0 3 358.398 1.217 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000599954315 553184373 /nfs/dbraw/zinc/18/43/73/553184373.db2.gz AVMLBQHOXDZOJQ-QWRGUYRKSA-N 0 3 358.192 1.104 20 5 FDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(N2CCCOCC2)CC1 ZINC000600006702 553198292 /nfs/dbraw/zinc/19/82/92/553198292.db2.gz CMSIUSLNULEJJN-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000600271925 553240238 /nfs/dbraw/zinc/24/02/38/553240238.db2.gz OQEGNRJNZOWGOO-LLVKDONJSA-N 0 3 362.415 1.688 20 5 FDBDHN CCC1(N2CCOCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000600681030 553298912 /nfs/dbraw/zinc/29/89/12/553298912.db2.gz DHHCLZZOQMWTRK-UHFFFAOYSA-N 0 3 365.434 1.285 20 5 FDBDHN CCN1CCN([C@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601105254 553347715 /nfs/dbraw/zinc/34/77/15/553347715.db2.gz WXKPALOUAJKRCW-SNVBAGLBSA-N 0 3 364.372 1.785 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCCN1CCN(C)CC1 ZINC000601104265 553347908 /nfs/dbraw/zinc/34/79/08/553347908.db2.gz QYSSPGBNELTKBD-UHFFFAOYSA-N 0 3 364.372 1.787 20 5 FDBDHN CCN1CCN(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601164350 553354888 /nfs/dbraw/zinc/35/48/88/553354888.db2.gz SQRVTKKFODOZMD-UHFFFAOYSA-N 0 3 360.458 1.770 20 5 FDBDHN CC1(N2CCCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000601497465 553420937 /nfs/dbraw/zinc/42/09/37/553420937.db2.gz XWTLFDQOUZEGTE-UHFFFAOYSA-N 0 3 354.432 1.629 20 5 FDBDHN Cc1ccc(CN2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000601879737 553485777 /nfs/dbraw/zinc/48/57/77/553485777.db2.gz IYBQBLYBOLVVIP-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000602770232 553634716 /nfs/dbraw/zinc/63/47/16/553634716.db2.gz WYZJVUHYQINQMC-IJEWVQPXSA-N 0 3 351.451 1.673 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609187786 554347097 /nfs/dbraw/zinc/34/70/97/554347097.db2.gz MZPFFZAIXNNQAB-UHFFFAOYSA-N 0 3 364.446 1.761 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269521 554353797 /nfs/dbraw/zinc/35/37/97/554353797.db2.gz SKJVXAFKFHZPOG-AWEZNQCLSA-N 0 3 351.403 1.373 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609517591 554386214 /nfs/dbraw/zinc/38/62/14/554386214.db2.gz AVCJCNFUORDINM-STQMWFEESA-N 0 3 364.402 1.345 20 5 FDBDHN Cc1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000609674880 554410221 /nfs/dbraw/zinc/41/02/21/554410221.db2.gz UVXIADCBYAKNPD-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN CC[C@H](CN1CCCC1)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000609839863 554427378 /nfs/dbraw/zinc/42/73/78/554427378.db2.gz DFFNFHXUVNAAHV-GFCCVEGCSA-N 0 3 356.448 1.789 20 5 FDBDHN CC[C@@H](CN1CCCC1)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000609839864 554427500 /nfs/dbraw/zinc/42/75/00/554427500.db2.gz DFFNFHXUVNAAHV-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCN1C ZINC000610178045 554471446 /nfs/dbraw/zinc/47/14/46/554471446.db2.gz MEAABBMMWXBLFN-NEPJUHHUSA-N 0 3 374.397 1.132 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCN1C ZINC000610178046 554471533 /nfs/dbraw/zinc/47/15/33/554471533.db2.gz MEAABBMMWXBLFN-NWDGAFQWSA-N 0 3 374.397 1.132 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC(OC)CC1 ZINC000610573746 554532346 /nfs/dbraw/zinc/53/23/46/554532346.db2.gz CXJIQNLHQKHGTA-UHFFFAOYSA-N 0 3 366.418 1.513 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000611527715 554641993 /nfs/dbraw/zinc/64/19/93/554641993.db2.gz FWQLVGGJCMJLOJ-UHFFFAOYSA-N 0 3 371.397 1.721 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615696076 555229568 /nfs/dbraw/zinc/22/95/68/555229568.db2.gz FRCMSEHHHKDDJQ-AWEZNQCLSA-N 0 3 360.414 1.852 20 5 FDBDHN COC(=O)COc1ccc(CNC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000616092890 555270443 /nfs/dbraw/zinc/27/04/43/555270443.db2.gz NXYWHOCOAWNTJD-UHFFFAOYSA-N 0 3 352.387 1.931 20 5 FDBDHN C[C@@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617731434 555497694 /nfs/dbraw/zinc/49/76/94/555497694.db2.gz ATXCOUYZSDXYKQ-CRAIPNDOSA-N 0 3 360.458 1.937 20 5 FDBDHN CN1CCC[C@H](N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618286820 555604617 /nfs/dbraw/zinc/60/46/17/555604617.db2.gz MHKZJKUFEUBNDE-HNNXBMFYSA-N 0 3 358.446 1.683 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619478378 555784338 /nfs/dbraw/zinc/78/43/38/555784338.db2.gz GNMAVCHNNRQKEK-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000291309331 568103270 /nfs/dbraw/zinc/10/32/70/568103270.db2.gz NWOMEEYMGHSLBQ-CYBMUJFWSA-N 0 3 362.430 1.896 20 5 FDBDHN C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736797711 599060015 /nfs/dbraw/zinc/06/00/15/599060015.db2.gz KITPXWWMVOEINQ-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736797711 599060018 /nfs/dbraw/zinc/06/00/18/599060018.db2.gz KITPXWWMVOEINQ-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736797711 599060021 /nfs/dbraw/zinc/06/00/21/599060021.db2.gz KITPXWWMVOEINQ-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736797711 599060024 /nfs/dbraw/zinc/06/00/24/599060024.db2.gz KITPXWWMVOEINQ-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227025 598498766 /nfs/dbraw/zinc/49/87/66/598498766.db2.gz YMPVNGIMEZSQAI-GRYCIOLGSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227025 598498768 /nfs/dbraw/zinc/49/87/68/598498768.db2.gz YMPVNGIMEZSQAI-GRYCIOLGSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227025 598498770 /nfs/dbraw/zinc/49/87/70/598498770.db2.gz YMPVNGIMEZSQAI-GRYCIOLGSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227025 598498771 /nfs/dbraw/zinc/49/87/71/598498771.db2.gz YMPVNGIMEZSQAI-GRYCIOLGSA-N 0 3 360.422 1.948 20 5 FDBDHN CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000825212229 607841150 /nfs/dbraw/zinc/84/11/50/607841150.db2.gz QNMURMZIRIOFDV-NWDGAFQWSA-N 0 3 361.406 1.056 20 5 FDBDHN CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000825212229 607841151 /nfs/dbraw/zinc/84/11/51/607841151.db2.gz QNMURMZIRIOFDV-NWDGAFQWSA-N 0 3 361.406 1.056 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276250923 674725551 /nfs/dbraw/zinc/72/55/51/674725551.db2.gz RUIGQSPZCJIUKQ-UHFFFAOYSA-N 0 3 359.404 1.002 20 5 FDBDHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000267758972 673323322 /nfs/dbraw/zinc/32/33/22/673323322.db2.gz QBZSSOCHRHFZPP-ZFWWWQNUSA-N 0 3 350.419 1.984 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000290266355 676194055 /nfs/dbraw/zinc/19/40/55/676194055.db2.gz OTPHHUAEWQLLRS-QMMMGPOBSA-N 0 3 373.207 1.362 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292937729 676329990 /nfs/dbraw/zinc/32/99/90/676329990.db2.gz ZRDQKCPWHXPLDJ-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN CS[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1N(C)C ZINC000331592317 676732633 /nfs/dbraw/zinc/73/26/33/676732633.db2.gz OXELERGELNSPBK-ARFHVFGLSA-N 0 3 364.471 1.678 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363942369 676980010 /nfs/dbraw/zinc/98/00/10/676980010.db2.gz AKQXGRBMPXLBSI-NEPJUHHUSA-N 0 3 371.796 1.909 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C[C@H]21 ZINC000370210292 677552858 /nfs/dbraw/zinc/55/28/58/677552858.db2.gz OYHCJBDFPGDUIS-BXKDBHETSA-N 0 3 369.219 1.919 20 5 FDBDHN COc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000412042574 679146649 /nfs/dbraw/zinc/14/66/49/679146649.db2.gz ODFCPPOYAAILQX-ZDUSSCGKSA-N 0 3 354.794 1.946 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421297481 680646794 /nfs/dbraw/zinc/64/67/94/680646794.db2.gz LEQYHJSDLVJNBH-GFCCVEGCSA-N 0 3 350.375 1.095 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426880726 680963350 /nfs/dbraw/zinc/96/33/50/680963350.db2.gz FDGANPUTPJEAAO-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450548990 682766006 /nfs/dbraw/zinc/76/60/06/682766006.db2.gz UJWGEPCHGGNUTP-NSHDSACASA-N 0 3 354.432 1.163 20 5 FDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000451935570 682973822 /nfs/dbraw/zinc/97/38/22/682973822.db2.gz JIILRANHOHDORJ-UKRRQHHQSA-N 0 3 353.375 1.326 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452103943 683028505 /nfs/dbraw/zinc/02/85/05/683028505.db2.gz LDNLCPFVXMPVLI-MRXNPFEDSA-N 0 3 355.460 1.882 20 5 FDBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475708021 685630285 /nfs/dbraw/zinc/63/02/85/685630285.db2.gz FDLYCWBGHYBWOH-ZFWWWQNUSA-N 0 3 352.387 1.739 20 5 FDBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCNCC1 ZINC000470013991 684999332 /nfs/dbraw/zinc/99/93/32/684999332.db2.gz TVWXYJIETQRJDN-CQSZACIVSA-N 0 3 350.394 1.378 20 5 FDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489481051 687100795 /nfs/dbraw/zinc/10/07/95/687100795.db2.gz ZTPFKEYQQROJED-KMFMINBZSA-N 0 3 354.403 1.460 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000524776275 694578890 /nfs/dbraw/zinc/57/88/90/694578890.db2.gz NDOBPQBXSXGDMU-LLVKDONJSA-N 0 3 366.443 1.244 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000527290589 694663317 /nfs/dbraw/zinc/66/33/17/694663317.db2.gz ISNOCFCTMFNEDU-NSHDSACASA-N 0 3 371.415 1.002 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCOC23CCOCC3)c1 ZINC000934402240 782621658 /nfs/dbraw/zinc/62/16/58/782621658.db2.gz PFKZBDCKIJAOBY-OAHLLOKOSA-N 0 3 350.371 1.809 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000277735349 783110754 /nfs/dbraw/zinc/11/07/54/783110754.db2.gz BMUDUARBLFSYDE-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430610798 777067250 /nfs/dbraw/zinc/06/72/50/777067250.db2.gz MGRCVKPHMZJZFB-AWEZNQCLSA-N 0 3 362.430 1.247 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000933332435 777280855 /nfs/dbraw/zinc/28/08/55/777280855.db2.gz YWPCJDKKXZPDAD-LSDHHAIUSA-N 0 3 374.441 1.511 20 5 FDBDHN Cc1nn(CCC(=O)NC[C@@H]2NCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000375962029 785388226 /nfs/dbraw/zinc/38/82/26/785388226.db2.gz FGGRTTRCUZDOON-INIZCTEOSA-N 0 3 357.414 1.801 20 5 FDBDHN COc1ccc(Cl)cc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025777190 792017150 /nfs/dbraw/zinc/01/71/50/792017150.db2.gz LJEMNQRXWWQGHT-SSZWKKLZSA-N 0 3 365.817 1.560 20 5 FDBDHN O=C(N[C@H]1C[C@H](NCc2nc(-c3ccsc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140095 792462230 /nfs/dbraw/zinc/46/22/30/792462230.db2.gz YIIJRWUIMMXBJQ-DDHJBXDOSA-N 0 3 363.399 1.200 20 5 FDBDHN COc1cc(CCNC(=O)N2CCN[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000416893791 794770517 /nfs/dbraw/zinc/77/05/17/794770517.db2.gz CIWGEIJQQQPZBC-RYUDHWBXSA-N 0 3 366.418 1.546 20 5 FDBDHN Cc1cc(C2=CCN(C[C@@H](O)Cn3cccn3)CC2)cc([N+](=O)[O-])c1N ZINC000365887632 795046861 /nfs/dbraw/zinc/04/68/61/795046861.db2.gz XZLOQTCOFSMEPX-MRXNPFEDSA-N 0 3 357.414 1.832 20 5 FDBDHN COc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000749677706 807795911 /nfs/dbraw/zinc/79/59/11/807795911.db2.gz QLJMXBWKLPQYJF-MRXNPFEDSA-N 0 3 362.382 1.798 20 5 FDBDHN O=C(c1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001211735923 809924620 /nfs/dbraw/zinc/92/46/20/809924620.db2.gz XHNWENYYYDWRKE-UHFFFAOYSA-N 0 3 351.322 1.917 20 5 FDBDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295987 815477504 /nfs/dbraw/zinc/47/75/04/815477504.db2.gz OSUJGDJTRJYGJU-UHFFFAOYSA-N 0 3 372.429 1.256 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413113154 812010344 /nfs/dbraw/zinc/01/03/44/812010344.db2.gz BZCRSEMGFZQQBW-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413188566 812278525 /nfs/dbraw/zinc/27/85/25/812278525.db2.gz HLGNDECQLRLZBI-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000421707271 814271540 /nfs/dbraw/zinc/27/15/40/814271540.db2.gz XFNCEPPFZCOZNM-OAHLLOKOSA-N 0 3 358.402 1.650 20 5 FDBDHN O=C(N[C@H]1C[C@H](CNCc2nnc(C3CC3)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655314 818415521 /nfs/dbraw/zinc/41/55/21/818415521.db2.gz SITHGFQXSLLMDC-HJQYOEGKSA-N 0 3 351.432 1.065 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000729497400 819862531 /nfs/dbraw/zinc/86/25/31/819862531.db2.gz NOOXVPHFCUTRON-ZIAGYGMSSA-N 0 3 364.402 1.266 20 5 FDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000507881084 820773226 /nfs/dbraw/zinc/77/32/26/820773226.db2.gz PYRFWZWSHHCJEB-CQSZACIVSA-N 0 3 372.429 1.549 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000896611817 824705766 /nfs/dbraw/zinc/70/57/66/824705766.db2.gz DGRVWBYUULENCW-KBRIMQKVSA-N 0 3 362.430 1.896 20 5 FDBDHN CN(C(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)c1ccccc1 ZINC000281202523 825908819 /nfs/dbraw/zinc/90/88/19/825908819.db2.gz RZXPHKROZAQKAZ-HNNXBMFYSA-N 0 3 370.409 1.741 20 5 FDBDHN CCOC(=O)[C@@]1(COC)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281527518 825976273 /nfs/dbraw/zinc/97/62/73/825976273.db2.gz VYOIEWPTVRTQHM-AEFFLSMTSA-N 0 3 366.414 1.920 20 5 FDBDHN COc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281774363 826224596 /nfs/dbraw/zinc/22/45/96/826224596.db2.gz KFDVOCXNFAHFTQ-UHFFFAOYSA-N 0 3 365.434 1.751 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000475085078 826674057 /nfs/dbraw/zinc/67/40/57/826674057.db2.gz DGJLXIRQFJXDAN-INIZCTEOSA-N 0 3 365.430 1.919 20 5 FDBDHN CCOC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221563 827186109 /nfs/dbraw/zinc/18/61/09/827186109.db2.gz NGDYAUJUYBLSPC-SJORKVTESA-N 0 3 363.414 1.807 20 5 FDBDHN CC(C)c1ocnc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425825 827786143 /nfs/dbraw/zinc/78/61/43/827786143.db2.gz KMYSSVFTQFWRFB-UKRRQHHQSA-N 0 3 350.419 1.886 20 5 FDBDHN Cn1cc(-c2ncc(CNCCOc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000526978222 828908703 /nfs/dbraw/zinc/90/87/03/828908703.db2.gz JHEHJJDYIJYUPO-UHFFFAOYSA-N 0 3 354.370 1.954 20 5 FDBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CN2CCC1CC2 ZINC000448951599 829309665 /nfs/dbraw/zinc/30/96/65/829309665.db2.gz CJLKIDRFAQJTJU-QGZVFWFLSA-N 0 3 355.398 1.947 20 5 FDBDHN CC(=O)[C@](C)(O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450738129 830086951 /nfs/dbraw/zinc/08/69/51/830086951.db2.gz NKHOASPMCPJUSX-QGZVFWFLSA-N 0 3 361.402 1.323 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000531006906 830519258 /nfs/dbraw/zinc/51/92/58/830519258.db2.gz KRXGPDXYSRJOEJ-UONOGXRCSA-N 0 3 374.445 1.447 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520331990 830931979 /nfs/dbraw/zinc/93/19/79/830931979.db2.gz SCLSUKHOGDKAOC-DGCLKSJQSA-N 0 3 362.386 1.145 20 5 FDBDHN CN(Cc1nccn1C(F)F)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964560 831933134 /nfs/dbraw/zinc/93/31/34/831933134.db2.gz OOPKMOGYTLSRFX-CHWSQXEVSA-N 0 3 371.388 1.614 20 5 FDBDHN C[C@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C ZINC000454773756 835675587 /nfs/dbraw/zinc/67/55/87/835675587.db2.gz DPOPJIDLIPXLGB-UONOGXRCSA-N 0 3 362.434 1.304 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000477344858 842531001 /nfs/dbraw/zinc/53/10/01/842531001.db2.gz AWOAJOYIIVJGJN-OAHLLOKOSA-N 0 3 364.446 1.982 20 5 FDBDHN COc1cc(C(=O)N2CCN(c3ccncc3OC)CC2)ccc1[N+](=O)[O-] ZINC000478460109 843767503 /nfs/dbraw/zinc/76/75/03/843767503.db2.gz NVWOVQNAJCRREF-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000899923566 846878500 /nfs/dbraw/zinc/87/85/00/846878500.db2.gz INPVMEAEUNNANL-CVEARBPZSA-N 0 3 370.413 1.543 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC)CC1 ZINC000908282736 855266453 /nfs/dbraw/zinc/26/64/53/855266453.db2.gz VLSHPMPEVZCKIT-UHFFFAOYSA-N 0 3 350.419 1.960 20 5 FDBDHN CN1CCC(N(CCO)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000911937389 859164323 /nfs/dbraw/zinc/16/43/23/859164323.db2.gz WIWUZIJNTKKBQT-UHFFFAOYSA-N 0 3 360.414 1.465 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272463891 877569728 /nfs/dbraw/zinc/56/97/28/877569728.db2.gz OWMXJOZRPUHMPJ-UHFFFAOYSA-N 0 3 364.402 1.182 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000272564686 877936372 /nfs/dbraw/zinc/93/63/72/877936372.db2.gz KCNLTNOAMFDKKM-UHFFFAOYSA-N 0 3 363.462 1.416 20 5 FDBDHN Cc1nnc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)s1 ZINC000946589128 878838701 /nfs/dbraw/zinc/83/87/01/878838701.db2.gz HQZOFSZMGKCGPD-XJFOESAGSA-N 0 3 365.459 1.182 20 5 FDBDHN COC(=O)COc1ccc(CN[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000923029868 887841134 /nfs/dbraw/zinc/84/11/34/887841134.db2.gz BBFQWHYFZCJNEP-SCLBCKFNSA-N 0 3 362.382 1.948 20 5 FDBDHN Cc1nn(CN2CC[C@@H](CN3CCOCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765039132 906294687 /nfs/dbraw/zinc/29/46/87/906294687.db2.gz VJHPQPLGLBTWNP-HNNXBMFYSA-N 0 3 359.430 1.865 20 5 FDBDHN Cc1cn(CN2CCN(C3CCC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000733296664 920962795 /nfs/dbraw/zinc/96/27/95/920962795.db2.gz BYCAKQCGPHLBER-UHFFFAOYSA-N 0 3 371.441 1.983 20 5 FDBDHN O=C(CCN1CCN(CCCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000746484186 928106272 /nfs/dbraw/zinc/10/62/72/928106272.db2.gz LLKOMWAZHNFUQU-UHFFFAOYSA-N 0 3 350.419 1.314 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169030078 928228646 /nfs/dbraw/zinc/22/86/46/928228646.db2.gz VYXDMRNIKRECQH-HOTGVXAUSA-N 0 3 362.478 1.568 20 5 FDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000772534158 931338467 /nfs/dbraw/zinc/33/84/67/931338467.db2.gz SINPMUOTPAOYLY-SKDRFNHKSA-N 0 3 360.326 1.727 20 5 FDBDHN CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000805761967 938826162 /nfs/dbraw/zinc/82/61/62/938826162.db2.gz LRUVLRKZNALBCS-DZGCQCFKSA-N 0 3 369.422 1.095 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813102779 941325770 /nfs/dbraw/zinc/32/57/70/941325770.db2.gz VJJJHRVERYBNSI-VIFPVBQESA-N 0 3 350.780 1.217 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813104700 941326272 /nfs/dbraw/zinc/32/62/72/941326272.db2.gz PYYXIFKIAKFJMP-STQMWFEESA-N 0 3 356.400 1.296 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813103233 941326372 /nfs/dbraw/zinc/32/63/72/941326372.db2.gz BAHWVFSEQHHJST-GFCCVEGCSA-N 0 3 366.395 1.717 20 5 FDBDHN COc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107762 941333766 /nfs/dbraw/zinc/33/37/66/941333766.db2.gz VYFNJPVWJCWVKT-JTQLQIEISA-N 0 3 352.372 1.576 20 5 FDBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106955 941333828 /nfs/dbraw/zinc/33/38/28/941333828.db2.gz IWIGXLHMFGLWGH-GFCCVEGCSA-N 0 3 358.416 1.848 20 5 FDBDHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111076 941334540 /nfs/dbraw/zinc/33/45/40/941334540.db2.gz CALDSYMRBHURRN-CBAPKCEASA-N 0 3 354.388 1.270 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815704808 941946627 /nfs/dbraw/zinc/94/66/27/941946627.db2.gz QFDZZWOIZNXXED-BLLLJJGKSA-N 0 3 374.441 1.993 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000816950276 942397881 /nfs/dbraw/zinc/39/78/81/942397881.db2.gz PCJUUBMZOJNPFN-GUYCJALGSA-N 0 3 360.414 1.208 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000817490240 942793037 /nfs/dbraw/zinc/79/30/37/942793037.db2.gz ANFRZQRHRHBRGO-HNNXBMFYSA-N 0 3 362.430 1.598 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825394263 947217934 /nfs/dbraw/zinc/21/79/34/947217934.db2.gz WXJKLIVGFNBMDJ-QGZVFWFLSA-N 0 3 371.397 1.414 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000843877597 947364205 /nfs/dbraw/zinc/36/42/05/947364205.db2.gz ICJCCRNAOXDBGM-UHFFFAOYSA-N 0 3 352.410 1.798 20 5 FDBDHN CC([C@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872728 950043101 /nfs/dbraw/zinc/04/31/01/950043101.db2.gz MWIUSIAEWZBTRL-HWPZZCPQSA-N 0 3 352.318 1.614 20 5 FDBDHN CC([C@H](OC(=O)CCn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882880 950065546 /nfs/dbraw/zinc/06/55/46/950065546.db2.gz PZYKFLSCVSQRQN-HZMBPMFUSA-N 0 3 352.322 1.061 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001171746245 961283236 /nfs/dbraw/zinc/28/32/36/961283236.db2.gz UXBMEDAGEMSWEF-SWLSCSKDSA-N 0 3 362.386 1.662 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cncc(C(N)=O)c2)c1F ZINC001173179222 961953199 /nfs/dbraw/zinc/95/31/99/961953199.db2.gz KQOUFSPRWBLFMX-JTQLQIEISA-N 0 3 362.361 1.957 20 5 FDBDHN NCc1cncn1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690440 962581750 /nfs/dbraw/zinc/58/17/50/962581750.db2.gz QVFSTLNJYKZDIC-UHFFFAOYSA-N 0 3 365.415 1.276 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001182873842 962619790 /nfs/dbraw/zinc/61/97/90/962619790.db2.gz MPEASUAUHJWGBI-KWCYVHTRSA-N 0 3 354.403 1.965 20 5 FDBDHN O=c1[nH]ccn2c(CN[C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001183866302 963338878 /nfs/dbraw/zinc/33/88/78/963338878.db2.gz ZIYXONKIOGUBBE-JSGCOSHPSA-N 0 3 368.397 1.827 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001180052653 965089926 /nfs/dbraw/zinc/08/99/26/965089926.db2.gz CPJGHSPUDPFZEO-MSOLQXFVSA-N 0 3 372.425 1.676 20 5 FDBDHN COC(=O)c1ccnc(NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC001187717466 965663370 /nfs/dbraw/zinc/66/33/70/965663370.db2.gz UJWNVVKRNPKIHH-LBPRGKRZSA-N 0 3 350.375 1.442 20 5 FDBDHN CO[C@H]1CC[C@H](N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852184193 967067555 /nfs/dbraw/zinc/06/75/55/967067555.db2.gz IARSDEJWQZAFHR-KBPBESRZSA-N 0 3 357.432 1.372 20 5 FDBDHN C[C@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000776575319 967124306 /nfs/dbraw/zinc/12/43/06/967124306.db2.gz XHRVRCZOOUPOAW-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000852569882 967431568 /nfs/dbraw/zinc/43/15/68/967431568.db2.gz LHJWVVORYMTGJO-UHFFFAOYSA-N 0 3 368.390 1.562 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794573598 973317404 /nfs/dbraw/zinc/31/74/04/973317404.db2.gz WBPJDODPBIZMRD-HNNXBMFYSA-N 0 3 356.382 1.996 20 5 FDBDHN C[C@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCN1CC(C)(C)O ZINC000794642141 973474338 /nfs/dbraw/zinc/47/43/38/973474338.db2.gz JRGDKUAUIDGOBA-LBPRGKRZSA-N 0 3 364.402 1.237 20 5 FDBDHN CCN(CCO)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867462553 976186167 /nfs/dbraw/zinc/18/61/67/976186167.db2.gz STYBHSHLZJGQET-UHFFFAOYSA-N 0 3 374.235 1.330 20 5 FDBDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000867582577 976424125 /nfs/dbraw/zinc/42/41/25/976424125.db2.gz RQFYWEHJOATNOJ-UHFFFAOYSA-N 0 3 371.459 1.574 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867878692 977032965 /nfs/dbraw/zinc/03/29/65/977032965.db2.gz POXREGHKZPQGHK-CYBMUJFWSA-N 0 3 365.405 1.988 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C[C@@H]21 ZINC000794985948 977222683 /nfs/dbraw/zinc/22/26/83/977222683.db2.gz HCHFXROWZWJNCM-ATCWAGBWSA-N 0 3 363.370 1.283 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000850684039 978607128 /nfs/dbraw/zinc/60/71/28/978607128.db2.gz XDIMDJHOSXKWGC-NSHDSACASA-N 0 3 352.366 1.581 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000850684038 978607199 /nfs/dbraw/zinc/60/71/99/978607199.db2.gz XDIMDJHOSXKWGC-LLVKDONJSA-N 0 3 352.366 1.581 20 5 FDBDHN O=C1CC[C@@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000851935218 979199847 /nfs/dbraw/zinc/19/98/47/979199847.db2.gz MHJGBNDFJOXUNP-ZDUSSCGKSA-N 0 3 359.386 1.689 20 5 FDBDHN COc1cc(OCC(=O)OC[C@@]2(C)C[C@@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861344574 983695931 /nfs/dbraw/zinc/69/59/31/983695931.db2.gz QGQDJSYUMXJKHO-CXAGYDPISA-N 0 3 368.386 1.635 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1F ZINC000869778064 985327176 /nfs/dbraw/zinc/32/71/76/985327176.db2.gz VUEXLFYCGPZRQB-JTQLQIEISA-N 0 3 357.357 1.756 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000872781484 988051260 /nfs/dbraw/zinc/05/12/60/988051260.db2.gz ULIAXLVPECCINS-CVEARBPZSA-N 0 3 374.441 1.740 20 5 FDBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294625457 988503103 /nfs/dbraw/zinc/50/31/03/988503103.db2.gz RRMQNMOSNHAZFQ-QGZVFWFLSA-N 0 3 374.441 1.754 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000297908437 989766028 /nfs/dbraw/zinc/76/60/28/989766028.db2.gz PKRSDKDCYOKNRF-AWEZNQCLSA-N 0 3 364.402 1.485 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000874848892 990578274 /nfs/dbraw/zinc/57/82/74/990578274.db2.gz USNWBTWZXRJPRB-KBPBESRZSA-N 0 3 356.386 1.484 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000876470045 992625920 /nfs/dbraw/zinc/62/59/20/992625920.db2.gz MWBBICHLENRXOT-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000876473034 992637752 /nfs/dbraw/zinc/63/77/52/992637752.db2.gz PMYAINKJGBPLNB-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467027753 993256577 /nfs/dbraw/zinc/25/65/77/993256577.db2.gz BGZNIVRQQKOZPI-FZMZJTMJSA-N 0 3 361.398 1.507 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879144395 994573067 /nfs/dbraw/zinc/57/30/67/994573067.db2.gz MJUNUOUKBSIZJO-SMDDNHRTSA-N 0 3 361.398 1.969 20 5 FDBDHN C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000887403134 997238955 /nfs/dbraw/zinc/23/89/55/997238955.db2.gz PHSLMEYCGLQQFE-KGLIPLIRSA-N 0 3 362.430 1.225 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000889769985 998632713 /nfs/dbraw/zinc/63/27/13/998632713.db2.gz XMGOVZOWCQNGAA-SJORKVTESA-N 0 3 361.442 1.930 20 5 FDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826668470 998752248 /nfs/dbraw/zinc/75/22/48/998752248.db2.gz UZNAGLGBQKZYMD-HNNXBMFYSA-N 0 3 362.430 1.670 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCN1C ZINC000928437599 1001521203 /nfs/dbraw/zinc/52/12/03/1001521203.db2.gz XQRFFBBEXMTAFT-BXKDBHETSA-N 0 3 368.340 1.242 20 5 FDBDHN COC(=O)N1CCC(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000796499687 1016897495 /nfs/dbraw/zinc/89/74/95/1016897495.db2.gz ARVGYPIGHXSNQR-UHFFFAOYSA-N 0 3 365.386 1.934 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000933338879 1005541499 /nfs/dbraw/zinc/54/14/99/1005541499.db2.gz ORVNMKYKLJEYCL-KGLIPLIRSA-N 0 3 362.430 1.367 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000193352158 178159141 /nfs/dbraw/zinc/15/91/41/178159141.db2.gz UQVQBPJJEJESMZ-VIFPVBQESA-N 0 3 364.221 1.388 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000195170882 178244526 /nfs/dbraw/zinc/24/45/26/178244526.db2.gz FNBWTCQBHCGQJG-INIZCTEOSA-N 0 3 357.414 1.962 20 5 FDBDHN Cc1ccc(NCCCNC(=O)CNC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000237667175 178324677 /nfs/dbraw/zinc/32/46/77/178324677.db2.gz VDAXMQPDKVOEBB-CQSZACIVSA-N 0 3 350.419 1.590 20 5 FDBDHN CS(=O)(=O)c1cc(C(=O)N[C@H](CN)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000237424769 178313938 /nfs/dbraw/zinc/31/39/38/178313938.db2.gz MWHSTYRUTOKFRL-OAHLLOKOSA-N 0 3 369.443 1.636 20 5 FDBDHN O=C(C[C@@H]1CSCCN1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238046752 178345623 /nfs/dbraw/zinc/34/56/23/178345623.db2.gz FXWMWMLDCRLDAD-CYBMUJFWSA-N 0 3 350.444 1.339 20 5 FDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000237815787 178331719 /nfs/dbraw/zinc/33/17/19/178331719.db2.gz AQGIYWXVNAKQDC-SECBINFHSA-N 0 3 364.221 1.373 20 5 FDBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000245450089 178360436 /nfs/dbraw/zinc/36/04/36/178360436.db2.gz OHEVUYLPGHWRPW-OCCSQVGLSA-N 0 3 351.432 1.927 20 5 FDBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000512850014 538982464 /nfs/dbraw/zinc/98/24/64/538982464.db2.gz HAYJKNYNRZTRLG-WFASDCNBSA-N 0 3 359.423 1.932 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000248537313 178523695 /nfs/dbraw/zinc/52/36/95/178523695.db2.gz HFIDXZOSWXZCMG-RDJZCZTQSA-N 0 3 367.471 1.883 20 5 FDBDHN CCOc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000518890025 539454828 /nfs/dbraw/zinc/45/48/28/539454828.db2.gz VHEZMMKZTXEJJZ-UHFFFAOYSA-N 0 3 364.446 1.703 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000519148176 539471846 /nfs/dbraw/zinc/47/18/46/539471846.db2.gz ABOISYKZFJAWIG-CYBMUJFWSA-N 0 3 361.402 1.654 20 5 FDBDHN O=C1CCCN1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264229303 179055233 /nfs/dbraw/zinc/05/52/33/179055233.db2.gz YEEOTPGKMMPXKR-INIZCTEOSA-N 0 3 363.414 1.421 20 5 FDBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000264499148 179123018 /nfs/dbraw/zinc/12/30/18/179123018.db2.gz PQCSAKYHSDOKIB-UHFFFAOYSA-N 0 3 368.821 1.580 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000264598282 179144157 /nfs/dbraw/zinc/14/41/57/179144157.db2.gz CQXRSOXFEMRGER-UHFFFAOYSA-N 0 3 373.457 1.645 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264662209 179160807 /nfs/dbraw/zinc/16/08/07/179160807.db2.gz YZBFIWVMDUYGJN-CYBMUJFWSA-N 0 3 368.459 1.568 20 5 FDBDHN CC(C)OCCOC[C@H](O)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264689361 179168124 /nfs/dbraw/zinc/16/81/24/179168124.db2.gz YYTNCGBCYRUHLE-MRXNPFEDSA-N 0 3 356.419 1.708 20 5 FDBDHN CC[C@H]1CCCCN1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265023455 179269552 /nfs/dbraw/zinc/26/95/52/179269552.db2.gz YSYPQZHTZSCVMO-LBPRGKRZSA-N 0 3 356.448 1.919 20 5 FDBDHN CC(C)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000522810594 539582314 /nfs/dbraw/zinc/58/23/14/539582314.db2.gz OTDSWBPSIGYBLW-LBPRGKRZSA-N 0 3 369.443 1.458 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000269616888 180342098 /nfs/dbraw/zinc/34/20/98/180342098.db2.gz OYHVNVRQOSCCTF-UHFFFAOYSA-N 0 3 368.459 1.584 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271782776 180648763 /nfs/dbraw/zinc/64/87/63/180648763.db2.gz KDQDWBMWTBNKQX-HIFRSBDPSA-N 0 3 367.427 1.290 20 5 FDBDHN COC(=O)COc1ccc(CNCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530493959 539986083 /nfs/dbraw/zinc/98/60/83/539986083.db2.gz YWJSUPDCEQAXLB-CYBMUJFWSA-N 0 3 351.403 1.578 20 5 FDBDHN CCN(CCO)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274541136 181117904 /nfs/dbraw/zinc/11/79/04/181117904.db2.gz CBVQDSTVLIYAAP-UHFFFAOYSA-N 0 3 358.826 1.404 20 5 FDBDHN COc1ccc(CC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000535729931 540500161 /nfs/dbraw/zinc/50/01/61/540500161.db2.gz YZZGRCUHCZFUMR-HIFRSBDPSA-N 0 3 353.444 1.650 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537951152 540793450 /nfs/dbraw/zinc/79/34/50/540793450.db2.gz AFJBDFAFWKUSIY-IMJJTQAJSA-N 0 3 368.455 1.709 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000538390975 540852176 /nfs/dbraw/zinc/85/21/76/540852176.db2.gz WBELJBGNPTZNEE-ZBFHGGJFSA-N 0 3 355.460 1.960 20 5 FDBDHN Cn1c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000541051864 541142865 /nfs/dbraw/zinc/14/28/65/541142865.db2.gz UOJOQBZMSCDDLB-OAHLLOKOSA-N 0 3 358.398 1.430 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025290 541138519 /nfs/dbraw/zinc/13/85/19/541138519.db2.gz XZMIYWHNVLHBHR-KBPBESRZSA-N 0 3 374.319 1.494 20 5 FDBDHN O=C(CCN1CC[C@@H](N2CCCC2=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275547146 181347057 /nfs/dbraw/zinc/34/70/57/181347057.db2.gz BESYXGLIPJFSKX-CYBMUJFWSA-N 0 3 364.377 1.759 20 5 FDBDHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000541832966 541275791 /nfs/dbraw/zinc/27/57/91/541275791.db2.gz OZPGXGPMUIVQFW-UHFFFAOYSA-N 0 3 373.475 1.848 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543002998 541517905 /nfs/dbraw/zinc/51/79/05/541517905.db2.gz ZPHXGHGWLKUKPL-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000543879753 541676813 /nfs/dbraw/zinc/67/68/13/541676813.db2.gz YEOHQQFVIDCPCI-UHFFFAOYSA-N 0 3 350.419 1.433 20 5 FDBDHN COCC[C@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282424777 182009394 /nfs/dbraw/zinc/00/93/94/182009394.db2.gz YUKGXBCMFIFSMF-KGLIPLIRSA-N 0 3 371.459 1.668 20 5 FDBDHN CS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000282622244 182034003 /nfs/dbraw/zinc/03/40/03/182034003.db2.gz FFMPQJXYICAABL-UHFFFAOYSA-N 0 3 367.427 1.355 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000283630397 182235139 /nfs/dbraw/zinc/23/51/39/182235139.db2.gz BKDSOXCPVJXJKG-UHFFFAOYSA-N 0 3 351.403 1.570 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@H](C)O1 ZINC000285686936 182873897 /nfs/dbraw/zinc/87/38/97/182873897.db2.gz QVQSOJYZSGWKFW-RYUDHWBXSA-N 0 3 351.407 1.279 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286260855 183025824 /nfs/dbraw/zinc/02/58/24/183025824.db2.gz GPNUBAZCTOGAQA-DGCLKSJQSA-N 0 3 354.432 1.305 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286878542 183165154 /nfs/dbraw/zinc/16/51/54/183165154.db2.gz ZEHPBFMCDALZOP-OCCSQVGLSA-N 0 3 369.443 1.851 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294719331 184003805 /nfs/dbraw/zinc/00/38/05/184003805.db2.gz BSJAFYOSWRBOKL-ZDUSSCGKSA-N 0 3 369.443 1.564 20 5 FDBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295986563 184120060 /nfs/dbraw/zinc/12/00/60/184120060.db2.gz JOJFFNWNLFAJQH-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1ccc(NC(=O)CCN(CC(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000298046251 184381339 /nfs/dbraw/zinc/38/13/39/184381339.db2.gz DIWVENUHRFKTNO-UHFFFAOYSA-N 0 3 352.391 1.518 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000548188271 542578120 /nfs/dbraw/zinc/57/81/20/542578120.db2.gz BBTBGMAIVGQGQY-KGLIPLIRSA-N 0 3 368.434 1.968 20 5 FDBDHN CN(c1ccccc1)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173258413 258294569 /nfs/dbraw/zinc/29/45/69/258294569.db2.gz FMOKQHOXQXRVBZ-SFHVURJKSA-N 0 3 359.430 1.753 20 5 FDBDHN CN(C)C(=O)c1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000549800770 542943623 /nfs/dbraw/zinc/94/36/23/542943623.db2.gz YIVLNASTQVAVSP-KRWDZBQOSA-N 0 3 373.409 1.826 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000550701057 543153387 /nfs/dbraw/zinc/15/33/87/543153387.db2.gz SKZLKFPVTCWWIJ-WFASDCNBSA-N 0 3 357.432 1.420 20 5 FDBDHN CC[C@@H](Cn1cncn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550900767 543195551 /nfs/dbraw/zinc/19/55/51/543195551.db2.gz AOUCFSUNPMJWGV-LBPRGKRZSA-N 0 3 353.404 1.028 20 5 FDBDHN CN(C)Cc1ccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000551019784 543217512 /nfs/dbraw/zinc/21/75/12/543217512.db2.gz CRQIRLKMKQKJKJ-UHFFFAOYSA-N 0 3 350.400 1.877 20 5 FDBDHN CC(C)N1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067134330 172006487 /nfs/dbraw/zinc/00/64/87/172006487.db2.gz YKAMQCFYENVKML-UHFFFAOYSA-N 0 3 358.402 1.778 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072797548 172049458 /nfs/dbraw/zinc/04/94/58/172049458.db2.gz YWEQIAXDSXQHIV-OAHLLOKOSA-N 0 3 364.446 1.620 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000083026486 172202119 /nfs/dbraw/zinc/20/21/19/172202119.db2.gz WSFPUTYUVMZBBV-HUUCEWRRSA-N 0 3 365.430 1.979 20 5 FDBDHN CN(C)CCN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000084251353 172210956 /nfs/dbraw/zinc/21/09/56/172210956.db2.gz JEIHVHWGAUARGD-UHFFFAOYSA-N 0 3 364.427 1.408 20 5 FDBDHN CCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090511296 172265459 /nfs/dbraw/zinc/26/54/59/172265459.db2.gz FSXUGOLQULGQOL-UHFFFAOYSA-N 0 3 350.419 1.385 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000103175815 172361290 /nfs/dbraw/zinc/36/12/90/172361290.db2.gz GBCMKMHWNIILEZ-UHFFFAOYSA-N 0 3 361.402 1.367 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103449559 172366148 /nfs/dbraw/zinc/36/61/48/172366148.db2.gz CQWHYXXZWRCXLM-JXMROGBWSA-N 0 3 374.441 1.621 20 5 FDBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000122768265 172912015 /nfs/dbraw/zinc/91/20/15/172912015.db2.gz XSUFTUMAXAPPPT-CQSZACIVSA-N 0 3 352.435 1.629 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000136129037 173357163 /nfs/dbraw/zinc/35/71/63/173357163.db2.gz CIPKSHVXAHJWCE-UHFFFAOYSA-N 0 3 362.430 1.746 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000136186983 173357873 /nfs/dbraw/zinc/35/78/73/173357873.db2.gz BTRYZNAWWSIQAA-LPHOPBHVSA-N 0 3 358.394 1.758 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CN1C1CC1 ZINC000177193558 174113141 /nfs/dbraw/zinc/11/31/41/174113141.db2.gz VYEADLQLPWIAGX-RYUDHWBXSA-N 0 3 356.386 1.531 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197306 258321097 /nfs/dbraw/zinc/32/10/97/258321097.db2.gz ZZXGSTMISYDDSL-GFCCVEGCSA-N 0 3 351.407 1.065 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000178921745 258339523 /nfs/dbraw/zinc/33/95/23/258339523.db2.gz USQWTGNCFSJSKL-SECBINFHSA-N 0 3 364.221 1.388 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245714864 258396136 /nfs/dbraw/zinc/39/61/36/258396136.db2.gz GHRHPFZXVJJWSK-TZMCWYRMSA-N 0 3 361.406 1.027 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000247443264 258398938 /nfs/dbraw/zinc/39/89/38/258398938.db2.gz MCLRYUPLAGZFRG-AAEUAGOBSA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000247443274 258399060 /nfs/dbraw/zinc/39/90/60/258399060.db2.gz MCLRYUPLAGZFRG-WCQYABFASA-N 0 3 357.407 1.839 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C ZINC000554336778 543786845 /nfs/dbraw/zinc/78/68/45/543786845.db2.gz KHISKFJVPRHOBQ-ZFWWWQNUSA-N 0 3 374.441 1.685 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000557026592 544236456 /nfs/dbraw/zinc/23/64/56/544236456.db2.gz HQLCJXOTESEEKS-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN COC(=O)c1cc(C)nc(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000557566366 544309865 /nfs/dbraw/zinc/30/98/65/544309865.db2.gz GXKCCDJGWUPCLU-UHFFFAOYSA-N 0 3 366.418 1.632 20 5 FDBDHN CCN1CCN([C@H](C)CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000557493728 544298625 /nfs/dbraw/zinc/29/86/25/544298625.db2.gz QPGLXLFMYPBLIR-GFCCVEGCSA-N 0 3 351.407 1.214 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000559238729 544611412 /nfs/dbraw/zinc/61/14/12/544611412.db2.gz KAVBRRZILUBFJH-HNNXBMFYSA-N 0 3 360.366 1.896 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000299729129 259019655 /nfs/dbraw/zinc/01/96/55/259019655.db2.gz WBQYSZTZAJAPMH-UKRRQHHQSA-N 0 3 362.430 1.949 20 5 FDBDHN CN(C)CCN1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301098259 259021065 /nfs/dbraw/zinc/02/10/65/259021065.db2.gz RYFCQHWJFBIUCT-UHFFFAOYSA-N 0 3 360.418 1.682 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301122850 259021448 /nfs/dbraw/zinc/02/14/48/259021448.db2.gz XXJYNXMYIZWCEK-GFCCVEGCSA-N 0 3 354.432 1.307 20 5 FDBDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330486083 259147244 /nfs/dbraw/zinc/14/72/44/259147244.db2.gz CZKLXMJQLPLUSH-UHFFFAOYSA-N 0 3 370.475 1.241 20 5 FDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C1CCN(C)CC1 ZINC000367454722 260043451 /nfs/dbraw/zinc/04/34/51/260043451.db2.gz VNBGFMKRDGTLKL-ZDUSSCGKSA-N 0 3 361.446 1.418 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000368352295 260169742 /nfs/dbraw/zinc/16/97/42/260169742.db2.gz QFJVIEIIHLAWTQ-GOSISDBHSA-N 0 3 360.414 1.269 20 5 FDBDHN O=C(CCN1CCN2CCOC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368424637 260181194 /nfs/dbraw/zinc/18/11/94/260181194.db2.gz MPQKMMXCGNPLQU-ZDUSSCGKSA-N 0 3 352.366 1.079 20 5 FDBDHN COC(=O)[C@]12CCC[C@H]1CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000368611005 260209104 /nfs/dbraw/zinc/20/91/04/260209104.db2.gz DVYGNXCHAKCCQH-DEYYWGMASA-N 0 3 364.398 1.610 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000369011686 260277231 /nfs/dbraw/zinc/27/72/31/260277231.db2.gz UBCAWKDSVAPAHE-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000369311691 260338204 /nfs/dbraw/zinc/33/82/04/260338204.db2.gz YINKUNJUAHHXHJ-UHFFFAOYSA-N 0 3 370.475 1.671 20 5 FDBDHN O=C(NC1CC1)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373676516 261029937 /nfs/dbraw/zinc/02/99/37/261029937.db2.gz WNWVMNOZUCPAAZ-CABCVRRESA-N 0 3 360.414 1.762 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000374606395 261161219 /nfs/dbraw/zinc/16/12/19/261161219.db2.gz VJSRMKCPVJRRNM-IAGOWNOFSA-N 0 3 362.430 1.642 20 5 FDBDHN NC(=O)[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375507996 261357161 /nfs/dbraw/zinc/35/71/61/261357161.db2.gz LAJNOQHEGTXOHF-VXGBXAGGSA-N 0 3 374.319 1.519 20 5 FDBDHN CN1CC[C@H]2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145148 262088233 /nfs/dbraw/zinc/08/82/33/262088233.db2.gz FZDNYYIUDIQYRO-KBXCAEBGSA-N 0 3 374.441 1.598 20 5 FDBDHN CS[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270685855 674250683 /nfs/dbraw/zinc/25/06/83/674250683.db2.gz WDMDHGZBRQJHCF-CABCVRRESA-N 0 3 352.460 1.535 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000271116283 674311680 /nfs/dbraw/zinc/31/16/80/674311680.db2.gz KAJBDWJZSSUEEV-UONOGXRCSA-N 0 3 368.415 1.929 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024803602 519016739 /nfs/dbraw/zinc/01/67/39/519016739.db2.gz GJEKDGNYEANLTR-CQSZACIVSA-N 0 3 362.430 1.705 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(CCc2ccccc2)CC1 ZINC000027935788 519203620 /nfs/dbraw/zinc/20/36/20/519203620.db2.gz XICJOZUVSDLWRC-UHFFFAOYSA-N 0 3 357.414 1.615 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069502714 521894831 /nfs/dbraw/zinc/89/48/31/521894831.db2.gz YSBYZUZBHQIYSP-CYBMUJFWSA-N 0 3 367.402 1.209 20 5 FDBDHN CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000058092528 522204235 /nfs/dbraw/zinc/20/42/35/522204235.db2.gz UGDWUFSIXOEUFI-UHFFFAOYSA-N 0 3 358.402 1.139 20 5 FDBDHN COc1cc(C(=O)Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000061636048 522483625 /nfs/dbraw/zinc/48/36/25/522483625.db2.gz CXBQMHHAHUMGQG-UHFFFAOYSA-N 0 3 363.374 1.622 20 5 FDBDHN CC(C)N(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000063467235 522594061 /nfs/dbraw/zinc/59/40/61/522594061.db2.gz KMEDMPLRJYXLDQ-UHFFFAOYSA-N 0 3 354.432 1.281 20 5 FDBDHN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074655245 522809172 /nfs/dbraw/zinc/80/91/72/522809172.db2.gz BVFHSFGQPURQGD-HNNXBMFYSA-N 0 3 363.462 1.320 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000065663261 522860109 /nfs/dbraw/zinc/86/01/09/522860109.db2.gz WYEVXEJINJZNER-UHFFFAOYSA-N 0 3 357.414 1.962 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000066464422 523065790 /nfs/dbraw/zinc/06/57/90/523065790.db2.gz ROGJOXBDTYUEBW-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000076980982 523225114 /nfs/dbraw/zinc/22/51/14/523225114.db2.gz XVODXUWBMPODGX-INIZCTEOSA-N 0 3 373.457 1.911 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053238263 523379457 /nfs/dbraw/zinc/37/94/57/523379457.db2.gz DBUGHAVWZFVKNY-UHFFFAOYSA-N 0 3 362.430 1.960 20 5 FDBDHN C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780136 523463946 /nfs/dbraw/zinc/46/39/46/523463946.db2.gz RGYQEXSYZRPNSZ-CQSZACIVSA-N 0 3 351.451 1.791 20 5 FDBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000134932620 524095520 /nfs/dbraw/zinc/09/55/20/524095520.db2.gz BEORBFRLWQMYBW-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000110854763 524146371 /nfs/dbraw/zinc/14/63/71/524146371.db2.gz SQVPERMYWOQSTG-DZGCQCFKSA-N 0 3 352.387 1.419 20 5 FDBDHN COc1cc(C(=O)N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000110866760 524150572 /nfs/dbraw/zinc/15/05/72/524150572.db2.gz ZMCHKTXYTSZDIK-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN CC(C)C(=O)NCCN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000157430257 524270496 /nfs/dbraw/zinc/27/04/96/524270496.db2.gz LYKWPCJKMGVGON-UHFFFAOYSA-N 0 3 364.402 1.597 20 5 FDBDHN COCCN1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000140250852 524307972 /nfs/dbraw/zinc/30/79/72/524307972.db2.gz CNMFXUXWBCYEQR-UHFFFAOYSA-N 0 3 365.434 1.417 20 5 FDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCCC1 ZINC000141662748 524338119 /nfs/dbraw/zinc/33/81/19/524338119.db2.gz MOAADAUISJEHQG-UHFFFAOYSA-N 0 3 369.443 1.603 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000085457577 524360119 /nfs/dbraw/zinc/36/01/19/524360119.db2.gz YOYHMQZOSLXHKF-OKILXGFUSA-N 0 3 367.450 1.532 20 5 FDBDHN CCC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCOC ZINC000121812283 524370467 /nfs/dbraw/zinc/37/04/67/524370467.db2.gz FUXSPAVCJJTDLY-MRXNPFEDSA-N 0 3 364.446 1.626 20 5 FDBDHN CCCCN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000112310988 524459233 /nfs/dbraw/zinc/45/92/33/524459233.db2.gz NPTWJOGAWYHIRT-CYBMUJFWSA-N 0 3 366.418 1.641 20 5 FDBDHN CCN(C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000174469786 524588873 /nfs/dbraw/zinc/58/88/73/524588873.db2.gz ACRRSQRKHRSETD-GFCCVEGCSA-N 0 3 369.443 1.412 20 5 FDBDHN CCOC(=O)CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090588792 524605836 /nfs/dbraw/zinc/60/58/36/524605836.db2.gz CBYUOHGWZJUZAF-AWEZNQCLSA-N 0 3 351.403 1.812 20 5 FDBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000113092957 524624276 /nfs/dbraw/zinc/62/42/76/524624276.db2.gz YLCJCRCXIWUAGV-UHFFFAOYSA-N 0 3 358.402 1.309 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCN(Cc2ccccc2)CC1 ZINC000151701269 524658946 /nfs/dbraw/zinc/65/89/46/524658946.db2.gz GLIMRQSHPFANMO-UHFFFAOYSA-N 0 3 372.429 1.709 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000174665348 524680125 /nfs/dbraw/zinc/68/01/25/524680125.db2.gz DTURJWFAJTXZKL-MLGOLLRUSA-N 0 3 357.374 1.084 20 5 FDBDHN O=C(Nc1ccccc1)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174708477 524697838 /nfs/dbraw/zinc/69/78/38/524697838.db2.gz UEEDAMKQEJHAEF-KRWDZBQOSA-N 0 3 373.413 1.503 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721565 524707715 /nfs/dbraw/zinc/70/77/15/524707715.db2.gz HDDTZPORWKHTFY-SJKOYZFVSA-N 0 3 373.413 1.852 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159629323 524710631 /nfs/dbraw/zinc/71/06/31/524710631.db2.gz SWKFIUCTJBAYPQ-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749454 524721718 /nfs/dbraw/zinc/72/17/18/524721718.db2.gz MSDLJYWEICJTMU-INIZCTEOSA-N 0 3 363.374 1.971 20 5 FDBDHN C[C@@H]1CN(Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000159914160 524767417 /nfs/dbraw/zinc/76/74/17/524767417.db2.gz NDBRSAPTBLBLSG-CHWSQXEVSA-N 0 3 373.413 1.857 20 5 FDBDHN Cc1cc(=O)c(C(=O)N2CCC[C@H]2CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000160165505 524821736 /nfs/dbraw/zinc/82/17/36/524821736.db2.gz VOGWAXLCCYOMQM-LBPRGKRZSA-N 0 3 357.370 1.012 20 5 FDBDHN Cc1sc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000124000674 524878458 /nfs/dbraw/zinc/87/84/58/524878458.db2.gz LCZSVOILCFXIBY-UHFFFAOYSA-N 0 3 363.461 1.354 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000152965431 525060528 /nfs/dbraw/zinc/06/05/28/525060528.db2.gz GYUSWUMRIVZSCK-OZSKJFCKSA-N 0 3 372.425 1.373 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000152978370 525065481 /nfs/dbraw/zinc/06/54/81/525065481.db2.gz GEAQOJKBDYDSOB-CYBMUJFWSA-N 0 3 370.475 1.623 20 5 FDBDHN COc1cc(C(=O)NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000116451266 525158742 /nfs/dbraw/zinc/15/87/42/525158742.db2.gz VGKHQCADDHJXCB-AWEZNQCLSA-N 0 3 351.403 1.426 20 5 FDBDHN CCN(CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000102067551 525270791 /nfs/dbraw/zinc/27/07/91/525270791.db2.gz UVOORPDZFCCDQU-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN CN(C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000177477413 525298032 /nfs/dbraw/zinc/29/80/32/525298032.db2.gz XHURVKXGSYHWPY-STQMWFEESA-N 0 3 369.443 1.601 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117755527 525390986 /nfs/dbraw/zinc/39/09/86/525390986.db2.gz NLXOHJCXBBSEDM-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN C[C@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C1CC1 ZINC000105267247 525483598 /nfs/dbraw/zinc/48/35/98/525483598.db2.gz CRKQTIWAVOXFIM-CQSZACIVSA-N 0 3 361.446 1.909 20 5 FDBDHN C[C@@H](NCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000164338395 525496150 /nfs/dbraw/zinc/49/61/50/525496150.db2.gz LNIGLLCPVSQGTM-OAHLLOKOSA-N 0 3 356.430 1.858 20 5 FDBDHN CCOc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000118722217 525529513 /nfs/dbraw/zinc/52/95/13/525529513.db2.gz UOEBUFPHGJMQSE-UHFFFAOYSA-N 0 3 351.403 1.570 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000119015495 525607086 /nfs/dbraw/zinc/60/70/86/525607086.db2.gz ICDZTCGHASUVGW-OCCSQVGLSA-N 0 3 374.397 1.445 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000119386023 525727013 /nfs/dbraw/zinc/72/70/13/525727013.db2.gz WMGNHNKXGNIPCL-JSGCOSHPSA-N 0 3 362.430 1.949 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155392206 525850993 /nfs/dbraw/zinc/85/09/93/525850993.db2.gz KPONVHCGWSURIU-GDBMZVCRSA-N 0 3 360.414 1.267 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155657690 525935451 /nfs/dbraw/zinc/93/54/51/525935451.db2.gz YKAHPYMPRXUIRS-UHFFFAOYSA-N 0 3 358.398 1.720 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120043431 525943576 /nfs/dbraw/zinc/94/35/76/525943576.db2.gz TXLXOJKNOLADJN-XJKSGUPXSA-N 0 3 357.414 1.736 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000171442330 525995216 /nfs/dbraw/zinc/99/52/16/525995216.db2.gz JTUWVUGUOVRFKI-INIZCTEOSA-N 0 3 370.413 1.794 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000120514359 526094547 /nfs/dbraw/zinc/09/45/47/526094547.db2.gz VABDKMSWLVBUTM-OCCSQVGLSA-N 0 3 358.402 1.588 20 5 FDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000185611253 536213613 /nfs/dbraw/zinc/21/36/13/536213613.db2.gz OAHDMSQKPRHCIB-LBPRGKRZSA-N 0 3 364.427 1.763 20 5 FDBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](c1ccccc1)N(C)C ZINC000187199144 536257321 /nfs/dbraw/zinc/25/73/21/536257321.db2.gz DUSFUSAFVOBGHN-UGSOOPFHSA-N 0 3 358.398 1.564 20 5 FDBDHN COc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000188892376 536965654 /nfs/dbraw/zinc/96/56/54/536965654.db2.gz WJKQJMKYZJKFAA-CYBMUJFWSA-N 0 3 367.446 1.889 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189465477 537051957 /nfs/dbraw/zinc/05/19/57/537051957.db2.gz QRMCWNCGRVJHFM-CYBMUJFWSA-N 0 3 365.430 1.738 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000247230584 537097509 /nfs/dbraw/zinc/09/75/09/537097509.db2.gz YGCNGWPAJOBKAE-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000189886740 537110552 /nfs/dbraw/zinc/11/05/52/537110552.db2.gz DMNRUWIDVKWRPH-QWHCGFSZSA-N 0 3 360.414 1.993 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247450823 537119656 /nfs/dbraw/zinc/11/96/56/537119656.db2.gz HLOULCGFEBXWNV-MAUKXSAKSA-N 0 3 359.430 1.359 20 5 FDBDHN COc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000190350524 537166537 /nfs/dbraw/zinc/16/65/37/537166537.db2.gz HDNWANBZVZKYHR-ZDUSSCGKSA-N 0 3 364.446 1.668 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000265997393 537182994 /nfs/dbraw/zinc/18/29/94/537182994.db2.gz NYNFTEKHRCFWSF-VXGBXAGGSA-N 0 3 374.397 1.132 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190912323 537190624 /nfs/dbraw/zinc/19/06/24/537190624.db2.gz ZWCFMMMBVVCABV-AWEZNQCLSA-N 0 3 370.475 1.040 20 5 FDBDHN C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000249319507 537233921 /nfs/dbraw/zinc/23/39/21/537233921.db2.gz FXDRSXSLNHQOJR-GOEBONIOSA-N 0 3 367.446 1.112 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000298750320 537298680 /nfs/dbraw/zinc/29/86/80/537298680.db2.gz WLKXPPAJKBIOAW-CQSZACIVSA-N 0 3 352.391 1.422 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272747292 537327899 /nfs/dbraw/zinc/32/78/99/537327899.db2.gz SEPGFKCTHYUCET-CYBMUJFWSA-N 0 3 364.406 1.054 20 5 FDBDHN COCCN(C)CCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273047304 537388433 /nfs/dbraw/zinc/38/84/33/537388433.db2.gz ULXFMGGUXCFJLA-MRXNPFEDSA-N 0 3 364.402 1.172 20 5 FDBDHN COCCOCCOCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000276295998 537400855 /nfs/dbraw/zinc/40/08/55/537400855.db2.gz URLPZWKBBBOGLC-UHFFFAOYSA-N 0 3 372.418 1.594 20 5 FDBDHN CN1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000284686619 537479819 /nfs/dbraw/zinc/47/98/19/537479819.db2.gz DTNNSHVOUGLJFM-UHFFFAOYSA-N 0 3 368.821 1.117 20 5 FDBDHN C[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271720794 537485272 /nfs/dbraw/zinc/48/52/72/537485272.db2.gz QEZCDXSAQDUJJN-CQSZACIVSA-N 0 3 363.462 1.981 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC000362475224 537597757 /nfs/dbraw/zinc/59/77/57/537597757.db2.gz XKFLZCLKEMWPAX-MLGOLLRUSA-N 0 3 356.386 1.342 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365864162 537597961 /nfs/dbraw/zinc/59/79/61/537597961.db2.gz RUGSVRWDYNEAQG-CYBMUJFWSA-N 0 3 365.434 1.202 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291826331 537681184 /nfs/dbraw/zinc/68/11/84/537681184.db2.gz FLLIYZCMEXTJJI-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294312452 537683148 /nfs/dbraw/zinc/68/31/48/537683148.db2.gz NYTMBTGKQOHGKU-YRILPIOLSA-N 0 3 372.429 1.923 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285431385 537710200 /nfs/dbraw/zinc/71/02/00/537710200.db2.gz HIVRDORBTSUOJF-CQSZACIVSA-N 0 3 353.444 1.949 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285436901 537711229 /nfs/dbraw/zinc/71/12/29/537711229.db2.gz XGDCJVYNELWSPS-DZGCQCFKSA-N 0 3 353.444 1.983 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292457363 537738050 /nfs/dbraw/zinc/73/80/50/537738050.db2.gz ZRBHQRCQTWGLFE-OAHLLOKOSA-N 0 3 354.432 1.035 20 5 FDBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN(Cc2ccccc2)C1 ZINC000405995834 537810600 /nfs/dbraw/zinc/81/06/00/537810600.db2.gz CPRKDOZCFUUGKO-GOSISDBHSA-N 0 3 355.398 1.966 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000371362360 537821731 /nfs/dbraw/zinc/82/17/31/537821731.db2.gz VRYPIUDHBXKZHV-ZIAGYGMSSA-N 0 3 371.397 1.374 20 5 FDBDHN O=C(NC1CC(N2CCCCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000376594261 537856382 /nfs/dbraw/zinc/85/63/82/537856382.db2.gz DAUZRFKYGYEQSL-UHFFFAOYSA-N 0 3 370.413 1.922 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@H]2CCOC2)CC1 ZINC000372115738 537871430 /nfs/dbraw/zinc/87/14/30/537871430.db2.gz JIRICIFKTHOYJD-INIZCTEOSA-N 0 3 362.430 1.638 20 5 FDBDHN COc1cc(CN2CCCN(CC(C)(C)O)CC2)c([N+](=O)[O-])cc1OC ZINC000372635864 537993528 /nfs/dbraw/zinc/99/35/28/537993528.db2.gz CVADODNBHZUQII-UHFFFAOYSA-N 0 3 367.446 1.891 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000411083585 538045630 /nfs/dbraw/zinc/04/56/30/538045630.db2.gz FLUBKTDBNXURML-ZDUSSCGKSA-N 0 3 362.386 1.444 20 5 FDBDHN COC(=O)Cc1ccc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000450327355 538121608 /nfs/dbraw/zinc/12/16/08/538121608.db2.gz LRKPXXVVFNMDGI-OAHLLOKOSA-N 0 3 365.430 1.815 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000424004502 538211551 /nfs/dbraw/zinc/21/15/51/538211551.db2.gz QXVMTEXVCZJSSS-AWEZNQCLSA-N 0 3 373.417 1.311 20 5 FDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440435451 538237495 /nfs/dbraw/zinc/23/74/95/538237495.db2.gz CFVYBHMSCWCJIQ-VIFPVBQESA-N 0 3 366.237 1.619 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424285254 538271511 /nfs/dbraw/zinc/27/15/11/538271511.db2.gz FRKBHFNGMZYFLZ-KNXALSJPSA-N 0 3 358.402 1.082 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000420425179 538291125 /nfs/dbraw/zinc/29/11/25/538291125.db2.gz UDYFETQPASTUGV-SECBINFHSA-N 0 3 353.322 1.644 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000481809032 538572789 /nfs/dbraw/zinc/57/27/89/538572789.db2.gz NNXVURQOCAFSPB-UHFFFAOYSA-N 0 3 373.413 1.785 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000477080967 538586552 /nfs/dbraw/zinc/58/65/52/538586552.db2.gz FZJLTGLYMXAVMN-CYBMUJFWSA-N 0 3 352.391 1.836 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000458587057 538623101 /nfs/dbraw/zinc/62/31/01/538623101.db2.gz PSUVJMBIDQZDPQ-MRXNPFEDSA-N 0 3 350.419 1.283 20 5 FDBDHN CN1CC[C@]2(CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])C2)C1 ZINC000488728939 538767933 /nfs/dbraw/zinc/76/79/33/538767933.db2.gz IXMMMJVMSAPYFR-IBGZPJMESA-N 0 3 374.441 1.599 20 5 FDBDHN COC(=O)COc1ccc(CNC2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000474342967 538835084 /nfs/dbraw/zinc/83/50/84/538835084.db2.gz SNIATMXSTNKCOK-UHFFFAOYSA-N 0 3 365.386 1.247 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000561792610 545954282 /nfs/dbraw/zinc/95/42/82/545954282.db2.gz GZBGJKAMKZMTLC-XHSDSOJGSA-N 0 3 360.414 1.430 20 5 FDBDHN Cc1ccc(C[C@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563137596 546419874 /nfs/dbraw/zinc/41/98/74/546419874.db2.gz HRCFNRTZOMYESP-SJLPKXTDSA-N 0 3 360.410 1.836 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000563645009 546630497 /nfs/dbraw/zinc/63/04/97/546630497.db2.gz FFARCLNXGHAZBQ-MRXNPFEDSA-N 0 3 358.398 1.082 20 5 FDBDHN COCCO[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564149577 546823558 /nfs/dbraw/zinc/82/35/58/546823558.db2.gz ZGRJQRZIGRYXMI-CABCVRRESA-N 0 3 354.403 1.462 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000564702204 547007117 /nfs/dbraw/zinc/00/71/17/547007117.db2.gz GWUYTZSQPOFQSP-JKSUJKDBSA-N 0 3 363.418 1.562 20 5 FDBDHN CCN(CC)CC[C@@H](CO)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000566581610 547815968 /nfs/dbraw/zinc/81/59/68/547815968.db2.gz FZOJQEMCUGHPGD-JTQLQIEISA-N 0 3 365.477 1.565 20 5 FDBDHN CS(=O)(=O)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567707641 548222949 /nfs/dbraw/zinc/22/29/49/548222949.db2.gz AKADITGMACLJRQ-UHFFFAOYSA-N 0 3 369.443 1.870 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000569363050 548891253 /nfs/dbraw/zinc/89/12/53/548891253.db2.gz XVVGQLKYDFYPOB-WBVHZDCISA-N 0 3 364.373 1.667 20 5 FDBDHN COCCN(C)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570289653 549227287 /nfs/dbraw/zinc/22/72/87/549227287.db2.gz HVKKMZHQGJHEPF-MRXNPFEDSA-N 0 3 367.446 1.377 20 5 FDBDHN CCOc1cc(Cl)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571316122 549603503 /nfs/dbraw/zinc/60/35/03/549603503.db2.gz UBXNGOGHKIMOBM-AWEZNQCLSA-N 0 3 354.794 1.994 20 5 FDBDHN COCCN(C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572383193 549903027 /nfs/dbraw/zinc/90/30/27/549903027.db2.gz XLJOSEVKJHJMCS-LLVKDONJSA-N 0 3 359.810 1.710 20 5 FDBDHN CC(=O)Nc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000572595501 549950429 /nfs/dbraw/zinc/95/04/29/549950429.db2.gz JXCTVBWGLRQCQX-AWEZNQCLSA-N 0 3 360.370 1.478 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000575069319 550420627 /nfs/dbraw/zinc/42/06/27/550420627.db2.gz VOAYKWBDNOMWED-SJORKVTESA-N 0 3 365.430 1.131 20 5 FDBDHN N[C@H]1C[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000576479239 550553648 /nfs/dbraw/zinc/55/36/48/550553648.db2.gz CCHLMPXNLBTWTF-DOMZBBRYSA-N 0 3 356.382 1.599 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000578368436 550757270 /nfs/dbraw/zinc/75/72/70/550757270.db2.gz QDMYYQJCOPYSEB-CJNGLKHVSA-N 0 3 353.444 1.986 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000581425305 551087132 /nfs/dbraw/zinc/08/71/32/551087132.db2.gz JUKOBWPNTDFBEH-OWLYRPNTSA-N 0 3 366.414 1.651 20 5 FDBDHN CC(C)(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000581603447 551110307 /nfs/dbraw/zinc/11/03/07/551110307.db2.gz XLOIMTUDFYTWQB-ZDUSSCGKSA-N 0 3 360.432 1.137 20 5 FDBDHN C[C@@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000583445000 551353111 /nfs/dbraw/zinc/35/31/11/551353111.db2.gz SSIGJRDVSIOVDD-GOSISDBHSA-N 0 3 357.414 1.962 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000583478837 551357517 /nfs/dbraw/zinc/35/75/17/551357517.db2.gz CNIMSWDJUHVUJM-LBPRGKRZSA-N 0 3 364.402 1.390 20 5 FDBDHN COC(=O)CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583957118 551426513 /nfs/dbraw/zinc/42/65/13/551426513.db2.gz KGKLWJSXASRYSD-CQSZACIVSA-N 0 3 352.387 1.610 20 5 FDBDHN CNc1nccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000584359665 551486113 /nfs/dbraw/zinc/48/61/13/551486113.db2.gz KFFLOQWOHZJLSL-CHWSQXEVSA-N 0 3 365.434 1.651 20 5 FDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860090 551693926 /nfs/dbraw/zinc/69/39/26/551693926.db2.gz DEIBBICOJNXGEP-JKSUJKDBSA-N 0 3 374.441 1.476 20 5 FDBDHN C[C@@](O)(CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589319111 551724313 /nfs/dbraw/zinc/72/43/13/551724313.db2.gz MQSUOCXRMOEZSM-NSHDSACASA-N 0 3 366.155 1.032 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1C ZINC000590337693 551774859 /nfs/dbraw/zinc/77/48/59/551774859.db2.gz MRLWFARTGXRPLH-QGZVFWFLSA-N 0 3 351.403 1.441 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000590369475 551776728 /nfs/dbraw/zinc/77/67/28/551776728.db2.gz JAGFEOFLPZSVMI-SECBINFHSA-N 0 3 365.308 1.188 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000590373159 551777116 /nfs/dbraw/zinc/77/71/16/551777116.db2.gz ZKGHDQJVXLONQO-JKSUJKDBSA-N 0 3 363.414 1.661 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCN(c2ccccn2)C1 ZINC000591757088 551906564 /nfs/dbraw/zinc/90/65/64/551906564.db2.gz YCTYFWSCHHOXSS-LSDHHAIUSA-N 0 3 358.398 1.598 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000591756977 551906626 /nfs/dbraw/zinc/90/66/26/551906626.db2.gz LMUMTNBMXOATLH-GDBMZVCRSA-N 0 3 358.398 1.598 20 5 FDBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)Cn1cccn1)[C@H]1CC[C@H](O)CC1 ZINC000592130355 551947344 /nfs/dbraw/zinc/94/73/44/551947344.db2.gz FBEQROCYJZNLKF-KZNAEPCWSA-N 0 3 374.441 1.958 20 5 FDBDHN CCCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(C)C1 ZINC000592833224 552033639 /nfs/dbraw/zinc/03/36/39/552033639.db2.gz XDJKJIYVLVKQSK-LBPRGKRZSA-N 0 3 374.397 1.134 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592878947 552038164 /nfs/dbraw/zinc/03/81/64/552038164.db2.gz IZYKISZMSMRNAI-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN COc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000592898366 552040410 /nfs/dbraw/zinc/04/04/10/552040410.db2.gz GOKHLOWUSYWBKI-UHFFFAOYSA-N 0 3 367.377 1.679 20 5 FDBDHN O=C1CC[C@@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)N1 ZINC000593025171 552054087 /nfs/dbraw/zinc/05/40/87/552054087.db2.gz SEENCYXCSVQJLU-LBPRGKRZSA-N 0 3 358.402 1.262 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)CN2CCOCC2)c1 ZINC000593034621 552054586 /nfs/dbraw/zinc/05/45/86/552054586.db2.gz NWJUOYMYFOTZMQ-UHFFFAOYSA-N 0 3 351.403 1.582 20 5 FDBDHN CN(C)CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1=O ZINC000593048273 552056008 /nfs/dbraw/zinc/05/60/08/552056008.db2.gz DMCGIMZNABLMDY-UHFFFAOYSA-N 0 3 374.363 1.819 20 5 FDBDHN CN(C)CCn1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1=O ZINC000593109834 552063396 /nfs/dbraw/zinc/06/33/96/552063396.db2.gz NVDYIBBDAXUOOW-UHFFFAOYSA-N 0 3 362.361 1.638 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)nc1 ZINC000593558313 552133546 /nfs/dbraw/zinc/13/35/46/552133546.db2.gz VTSDQBYEFRXIPL-CYBMUJFWSA-N 0 3 354.432 1.486 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593715861 552181086 /nfs/dbraw/zinc/18/10/86/552181086.db2.gz MUMOWYHMIUAFLA-CABCVRRESA-N 0 3 353.444 1.539 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN1CCCCC1 ZINC000593884987 552216860 /nfs/dbraw/zinc/21/68/60/552216860.db2.gz ZDWTWOORLINKNV-AWEZNQCLSA-N 0 3 366.466 1.772 20 5 FDBDHN CNc1nccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594302359 552282832 /nfs/dbraw/zinc/28/28/32/552282832.db2.gz GUZBUDQIOIBTQH-OAHLLOKOSA-N 0 3 369.425 2.378 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594418402 552306758 /nfs/dbraw/zinc/30/67/58/552306758.db2.gz IMRSKAHCURTKOZ-HZPDHXFCSA-N 0 3 360.414 1.458 20 5 FDBDHN CC(C)Oc1nc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000594566354 552334463 /nfs/dbraw/zinc/33/44/63/552334463.db2.gz WGNBAQDNRJNXKV-AWEZNQCLSA-N 0 3 350.419 2.442 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594717513 552362652 /nfs/dbraw/zinc/36/26/52/552362652.db2.gz AKIRMBGSFAVGFU-AAEUAGOBSA-N 0 3 366.340 1.632 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594986873 552432757 /nfs/dbraw/zinc/43/27/57/552432757.db2.gz IQEXAUQIHZUGEM-GJZGRUSLSA-N 0 3 350.371 1.540 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(S(C)(=O)=O)CC1 ZINC000595003760 552436449 /nfs/dbraw/zinc/43/64/49/552436449.db2.gz LWEVWUGNDHGPTK-LLVKDONJSA-N 0 3 357.432 1.678 20 5 FDBDHN CC(C)(C(=O)Nc1ccc([C@H]2CNCCO2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000595259183 552506386 /nfs/dbraw/zinc/50/63/86/552506386.db2.gz YOBMXKBSYPTNMQ-OAHLLOKOSA-N 0 3 359.386 1.826 20 5 FDBDHN CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595718101 552606358 /nfs/dbraw/zinc/60/63/58/552606358.db2.gz LWUDUUNMKDSTPR-MLGOLLRUSA-N 0 3 352.391 1.081 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595774677 552613667 /nfs/dbraw/zinc/61/36/67/552613667.db2.gz XMOMGYRFBZUHOU-UHFFFAOYSA-N 0 3 350.375 1.096 20 5 FDBDHN O=C(CCN1CC[C@H](CN2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595827473 552620391 /nfs/dbraw/zinc/62/03/91/552620391.db2.gz CIFIUZQLVYQLDS-AWEZNQCLSA-N 0 3 360.414 1.868 20 5 FDBDHN C[C@@]1(F)CNCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596012893 552644167 /nfs/dbraw/zinc/64/41/67/552644167.db2.gz BZJGDEYGUWKOFR-MRXNPFEDSA-N 0 3 356.373 1.708 20 5 FDBDHN COc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1OC ZINC000596054205 552650483 /nfs/dbraw/zinc/65/04/83/552650483.db2.gz KYIILIMFCTZVPI-CYBMUJFWSA-N 0 3 361.402 2.304 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596125012 552657694 /nfs/dbraw/zinc/65/76/94/552657694.db2.gz WNUNRMHSEYQIJR-CYBMUJFWSA-N 0 3 354.432 1.307 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000596210646 552665226 /nfs/dbraw/zinc/66/52/26/552665226.db2.gz KRYDPHPIFPAZEO-ZDUSSCGKSA-N 0 3 354.432 1.671 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000596463111 552681632 /nfs/dbraw/zinc/68/16/32/552681632.db2.gz QGUTXQRRJOVZMG-UHFFFAOYSA-N 0 3 373.251 1.814 20 5 FDBDHN CCCN1CC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000596516831 552685340 /nfs/dbraw/zinc/68/53/40/552685340.db2.gz HWLXUVXLLUPAJB-LBPRGKRZSA-N 0 3 356.448 1.741 20 5 FDBDHN CCOC(=O)c1ccnc(N2CCC(N3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596538581 552687257 /nfs/dbraw/zinc/68/72/57/552687257.db2.gz MHASGZSNVVQMEO-CYBMUJFWSA-N 0 3 364.402 1.202 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596844523 552717155 /nfs/dbraw/zinc/71/71/55/552717155.db2.gz QGKABHHWGIPYTC-AWEZNQCLSA-N 0 3 364.402 1.978 20 5 FDBDHN CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(CC)C1 ZINC000597301459 552771816 /nfs/dbraw/zinc/77/18/16/552771816.db2.gz PHPPWFSGGRNZAP-OAHLLOKOSA-N 0 3 362.430 1.462 20 5 FDBDHN Cc1cc(OCC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693459 552822720 /nfs/dbraw/zinc/82/27/20/552822720.db2.gz DJIWDKHDXPOONJ-IRXDYDNUSA-N 0 3 363.414 1.604 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858780 552841596 /nfs/dbraw/zinc/84/15/96/552841596.db2.gz OYVIDTGSTARJMZ-STQMWFEESA-N 0 3 366.466 1.816 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925897 552846466 /nfs/dbraw/zinc/84/64/66/552846466.db2.gz XXBIASIAXQPTQR-STQMWFEESA-N 0 3 366.466 1.816 20 5 FDBDHN O=[N+]([O-])c1c(N2CC[C@H](N3CCCCC3)C2)ncnc1N1CCOCC1 ZINC000598595611 552913119 /nfs/dbraw/zinc/91/31/19/552913119.db2.gz KVTRAYJZEIUEHK-AWEZNQCLSA-N 0 3 362.434 1.286 20 5 FDBDHN COC(=O)c1ccnc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000598609186 552915254 /nfs/dbraw/zinc/91/52/54/552915254.db2.gz ZHUKBDGUFVUJHL-LBPRGKRZSA-N 0 3 350.375 1.442 20 5 FDBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599107274 552968715 /nfs/dbraw/zinc/96/87/15/552968715.db2.gz NAEPIGOJMSCRGE-UHFFFAOYSA-N 0 3 371.337 1.128 20 5 FDBDHN NC(=O)c1cn(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000599574802 553092634 /nfs/dbraw/zinc/09/26/34/553092634.db2.gz BYBCMLFEHANICL-UHFFFAOYSA-N 0 3 360.374 1.001 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCCN1CCCC1 ZINC000601412621 553398420 /nfs/dbraw/zinc/39/84/20/553398420.db2.gz SMRDTOSTGQWRKL-UHFFFAOYSA-N 0 3 355.460 1.885 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601422571 553401873 /nfs/dbraw/zinc/40/18/73/553401873.db2.gz SUWAMRRCCJDGRO-JOYOIKCWSA-N 0 3 361.395 1.456 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000608948501 554329899 /nfs/dbraw/zinc/32/98/99/554329899.db2.gz ULBBXSRUTRLRAL-UHFFFAOYSA-N 0 3 373.413 1.155 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000609354288 554372094 /nfs/dbraw/zinc/37/20/94/554372094.db2.gz OQACPLDBVFWFLN-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 ZINC000609392774 554374291 /nfs/dbraw/zinc/37/42/91/554374291.db2.gz VHDBRRXWLBETEW-LLVKDONJSA-N 0 3 368.821 1.579 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000609710462 554415022 /nfs/dbraw/zinc/41/50/22/554415022.db2.gz PDTABPPVZUZVPU-ZDUSSCGKSA-N 0 3 351.403 1.426 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000609841129 554427765 /nfs/dbraw/zinc/42/77/65/554427765.db2.gz CCDLGHLGNDCLTI-GXTWGEPZSA-N 0 3 366.466 1.675 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000609963440 554444987 /nfs/dbraw/zinc/44/49/87/554444987.db2.gz LNUUGSKCDKPLHF-GFCCVEGCSA-N 0 3 352.391 1.689 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000610426936 554504109 /nfs/dbraw/zinc/50/41/09/554504109.db2.gz RJDZPKYLXCTBEH-KGLIPLIRSA-N 0 3 364.450 1.428 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610654088 554544821 /nfs/dbraw/zinc/54/48/21/554544821.db2.gz UIUINWPIUJYKGR-DGCLKSJQSA-N 0 3 361.398 1.650 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CCN([C@H]2CCOC2)CC1 ZINC000610913445 554580062 /nfs/dbraw/zinc/58/00/62/554580062.db2.gz WSIBVVZYCUXHQO-KRWDZBQOSA-N 0 3 372.425 1.919 20 5 FDBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000611176928 554612739 /nfs/dbraw/zinc/61/27/39/554612739.db2.gz IQROPTUIXXTVMN-UHFFFAOYSA-N 0 3 361.446 1.620 20 5 FDBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CC1 ZINC000611176900 554612858 /nfs/dbraw/zinc/61/28/58/554612858.db2.gz DFMWQWQIQLZKQB-UHFFFAOYSA-N 0 3 363.462 1.564 20 5 FDBDHN CCN1CCN([C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000611706460 554669265 /nfs/dbraw/zinc/66/92/65/554669265.db2.gz LCDXKZRXEAUGPA-HNNXBMFYSA-N 0 3 356.430 1.754 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000618923979 555696468 /nfs/dbraw/zinc/69/64/68/555696468.db2.gz NNYRLXKQJWYXEO-SFHVURJKSA-N 0 3 362.430 1.698 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271782781 674381339 /nfs/dbraw/zinc/38/13/39/674381339.db2.gz KDQDWBMWTBNKQX-UKRRQHHQSA-N 0 3 367.427 1.290 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000481559418 568046681 /nfs/dbraw/zinc/04/66/81/568046681.db2.gz GCICCJPNEWJDJB-UHFFFAOYSA-N 0 3 369.425 1.991 20 5 FDBDHN C[N@H+](CCCO)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736798315 599060643 /nfs/dbraw/zinc/06/06/43/599060643.db2.gz UXEFESRZAZKYHN-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@@H+](CCCO)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736798315 599060645 /nfs/dbraw/zinc/06/06/45/599060645.db2.gz UXEFESRZAZKYHN-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@H+](CCCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736798315 599060648 /nfs/dbraw/zinc/06/06/48/599060648.db2.gz UXEFESRZAZKYHN-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN C[N@@H+](CCCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736798315 599060651 /nfs/dbraw/zinc/06/06/51/599060651.db2.gz UXEFESRZAZKYHN-UHFFFAOYSA-N 0 3 361.406 1.058 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000273434931 674537113 /nfs/dbraw/zinc/53/71/13/674537113.db2.gz LUEPYNCDMKDOQJ-ARFHVFGLSA-N 0 3 366.439 1.916 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000276094419 674701954 /nfs/dbraw/zinc/70/19/54/674701954.db2.gz NBERKZDZLQVLKS-JTQLQIEISA-N 0 3 366.805 1.953 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000262767937 672845777 /nfs/dbraw/zinc/84/57/77/672845777.db2.gz UXFKVRNNGTZRKL-SECBINFHSA-N 0 3 367.349 1.892 20 5 FDBDHN COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000288918932 676072224 /nfs/dbraw/zinc/07/22/24/676072224.db2.gz UXBCIMMRHHKUQD-LSDHHAIUSA-N 0 3 354.794 1.783 20 5 FDBDHN COc1ccc(OCCN2CCC(CNC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000266519006 673137609 /nfs/dbraw/zinc/13/76/09/673137609.db2.gz HVYPCOTYVBGOLO-UHFFFAOYSA-N 0 3 351.403 1.830 20 5 FDBDHN COc1ccc(OCCN(C)[C@@H](C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000279688814 675332180 /nfs/dbraw/zinc/33/21/80/675332180.db2.gz HKAAQTRJJWSECF-AWEZNQCLSA-N 0 3 353.419 1.635 20 5 FDBDHN CN1CCN(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281569082 675531435 /nfs/dbraw/zinc/53/14/35/675531435.db2.gz DVCQVBOROXVIAI-UHFFFAOYSA-N 0 3 370.475 1.436 20 5 FDBDHN COCCOC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295098249 676400618 /nfs/dbraw/zinc/40/06/18/676400618.db2.gz SYUTTXVQFNCOPP-OAHLLOKOSA-N 0 3 354.403 1.462 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000370264709 677558716 /nfs/dbraw/zinc/55/87/16/677558716.db2.gz CIYKOGGGQFWGBF-ZBEGNZNMSA-N 0 3 350.394 1.966 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000370426641 677577006 /nfs/dbraw/zinc/57/70/06/677577006.db2.gz YYWAAMSVSAHMQC-CYBMUJFWSA-N 0 3 352.460 1.897 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376348055 678282333 /nfs/dbraw/zinc/28/23/33/678282333.db2.gz FVPMTRAVDWTKEC-GXTWGEPZSA-N 0 3 369.443 1.851 20 5 FDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000416509369 679643173 /nfs/dbraw/zinc/64/31/73/679643173.db2.gz REJOCRSTZHSNAJ-UHFFFAOYSA-N 0 3 352.416 1.762 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)n1 ZINC000427697069 680981679 /nfs/dbraw/zinc/98/16/79/680981679.db2.gz LTVXSFWZHLFSTN-YPMHNXCESA-N 0 3 353.448 1.463 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775899 681047591 /nfs/dbraw/zinc/04/75/91/681047591.db2.gz RAANSXXRPPQLHS-NEPJUHHUSA-N 0 3 350.375 1.046 20 5 FDBDHN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H](O)CN1CCc2ccccc2C1 ZINC000474658372 685440640 /nfs/dbraw/zinc/44/06/40/685440640.db2.gz OQKNDYIQWWFQEL-HNNXBMFYSA-N 0 3 363.801 1.829 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000443512082 682315512 /nfs/dbraw/zinc/31/55/12/682315512.db2.gz RWJIBEDKFGBEGT-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN CC1(C)CCCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000443954075 682366054 /nfs/dbraw/zinc/36/60/54/682366054.db2.gz BAVRILWTTIWEHN-UHFFFAOYSA-N 0 3 356.448 1.776 20 5 FDBDHN COc1c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000475651266 685622755 /nfs/dbraw/zinc/62/27/55/685622755.db2.gz ZWJKLKUIKQJBEH-ZDUSSCGKSA-N 0 3 351.403 1.786 20 5 FDBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)C ZINC000469193101 684953795 /nfs/dbraw/zinc/95/37/95/684953795.db2.gz XPQVKOGAWGUDFN-UHFFFAOYSA-N 0 3 373.431 1.390 20 5 FDBDHN CCCN(CCN(C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000496290892 687647446 /nfs/dbraw/zinc/64/74/46/687647446.db2.gz LMPGVLORMCHTDJ-UHFFFAOYSA-N 0 3 351.403 1.709 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000498912832 687878142 /nfs/dbraw/zinc/87/81/42/687878142.db2.gz FPJMJVKKBQMQNL-CHWSQXEVSA-N 0 3 350.419 1.956 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000499895067 688001597 /nfs/dbraw/zinc/00/15/97/688001597.db2.gz HSNFMLAHGPZNBS-AWEZNQCLSA-N 0 3 353.423 1.059 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000514671229 689750755 /nfs/dbraw/zinc/75/07/55/689750755.db2.gz XHWMEPJNEWJFNS-RHSMWYFYSA-N 0 3 351.403 1.622 20 5 FDBDHN O=C(CN[C@@H]1CCOC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934402961 782625577 /nfs/dbraw/zinc/62/55/77/782625577.db2.gz DJWHUWAFWPPPLU-MRXNPFEDSA-N 0 3 361.398 1.412 20 5 FDBDHN CCOc1cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000277762097 783227734 /nfs/dbraw/zinc/22/77/34/783227734.db2.gz MJVWUNCADYXLDM-HOTGVXAUSA-N 0 3 360.414 1.935 20 5 FDBDHN CC(C)C[C@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000933244435 776324122 /nfs/dbraw/zinc/32/41/22/776324122.db2.gz RMQMSINJOFWHHS-DLBZAZTESA-N 0 3 351.447 1.997 20 5 FDBDHN Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc12 ZINC001022063717 777684948 /nfs/dbraw/zinc/68/49/48/777684948.db2.gz ISTGJOPNVZKVBT-FAXLKDOZSA-N 0 3 355.398 1.340 20 5 FDBDHN Cc1cccc(-c2noc(CN[C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)n2)c1 ZINC001022065514 777714222 /nfs/dbraw/zinc/71/42/22/777714222.db2.gz YDLVZQHILNBLAM-LXTVHRRPSA-N 0 3 371.397 1.447 20 5 FDBDHN COCCN1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891863377 779833585 /nfs/dbraw/zinc/83/35/85/779833585.db2.gz WBPMDCAHLHHBFW-UHFFFAOYSA-N 0 3 360.414 1.605 20 5 FDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000375961983 785388324 /nfs/dbraw/zinc/38/83/24/785388324.db2.gz DOWKIYPSTYAMME-HNNXBMFYSA-N 0 3 369.377 1.983 20 5 FDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000411982885 785507329 /nfs/dbraw/zinc/50/73/29/785507329.db2.gz KRIPZDGIPORABL-INIZCTEOSA-N 0 3 356.426 1.963 20 5 FDBDHN Cc1ccoc1-c1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020140073 792460835 /nfs/dbraw/zinc/46/08/35/792460835.db2.gz WXXXYDYWSVDUOC-DDHJBXDOSA-N 0 3 361.358 1.040 20 5 FDBDHN CC(COC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[N+](=O)[O-] ZINC000893047548 792652174 /nfs/dbraw/zinc/65/21/74/792652174.db2.gz NHNJDPYBGQVLJC-CPCISQLKSA-N 0 3 358.144 1.739 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000278958888 807919179 /nfs/dbraw/zinc/91/91/79/807919179.db2.gz ZSAJBKHGYQGHCN-AWEZNQCLSA-N 0 3 363.414 1.685 20 5 FDBDHN CC1CCN(c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2[N+](=O)[O-])CC1 ZINC000423984822 815286963 /nfs/dbraw/zinc/28/69/63/815286963.db2.gz CGOZYTPDCJEWTF-HNNXBMFYSA-N 0 3 362.430 1.549 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000894015983 809868568 /nfs/dbraw/zinc/86/85/68/809868568.db2.gz GJKJGEWWKHAOTB-JQFCIGGWSA-N 0 3 362.430 1.896 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000366629567 813706561 /nfs/dbraw/zinc/70/65/61/813706561.db2.gz NBIAFCQCRVMYHW-MRXNPFEDSA-N 0 3 362.430 1.342 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)CCN1 ZINC000517026953 817174368 /nfs/dbraw/zinc/17/43/68/817174368.db2.gz KBSFZMXNUSSQJW-HNNXBMFYSA-N 0 3 373.457 1.659 20 5 FDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN(C[C@H]4CCOC4)CC3)n2)cc1 ZINC000426899194 818601124 /nfs/dbraw/zinc/60/11/24/818601124.db2.gz YZBVTXYRCMYHAI-CYBMUJFWSA-N 0 3 359.386 1.803 20 5 FDBDHN CC(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000519613442 818844070 /nfs/dbraw/zinc/84/40/70/818844070.db2.gz WWWMSYBBTJANCI-OAHLLOKOSA-N 0 3 358.398 1.696 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000521206612 821142446 /nfs/dbraw/zinc/14/24/46/821142446.db2.gz RWIYZLYGFXSSCZ-UHFFFAOYSA-N 0 3 360.414 1.034 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440923047 828399908 /nfs/dbraw/zinc/39/99/08/828399908.db2.gz FHMQVENPFIATMS-OSMZGAPFSA-N 0 3 364.450 1.569 20 5 FDBDHN Cc1cc(N[C@@H](C)[C@@H]2CN(C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895248170 822223026 /nfs/dbraw/zinc/22/30/26/822223026.db2.gz JDXQYQXCYVDBHP-YOEHRIQHSA-N 0 3 370.457 1.828 20 5 FDBDHN CN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCCN(C)C1 ZINC000895492518 822624202 /nfs/dbraw/zinc/62/42/02/822624202.db2.gz WRCOQMOFPDUYTQ-OAHLLOKOSA-N 0 3 358.402 1.401 20 5 FDBDHN COc1ccc(CNC(CO)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525196143 828521156 /nfs/dbraw/zinc/52/11/56/828521156.db2.gz CGNJFOZQWLBLOW-UHFFFAOYSA-N 0 3 362.382 1.625 20 5 FDBDHN COC(=O)COc1ccc(CN(CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000475120182 826739625 /nfs/dbraw/zinc/73/96/25/826739625.db2.gz NZZQWLIUBCVURS-UHFFFAOYSA-N 0 3 368.386 1.120 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000487534947 830065817 /nfs/dbraw/zinc/06/58/17/830065817.db2.gz IWRJGEOOWYEGON-UHFFFAOYSA-N 0 3 358.398 1.810 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000478463644 843776811 /nfs/dbraw/zinc/77/68/11/843776811.db2.gz VTCFYUYGNSQKHR-UHFFFAOYSA-N 0 3 372.381 1.726 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482672657 848534455 /nfs/dbraw/zinc/53/44/55/848534455.db2.gz BYEXKICXPVRQHC-UHFFFAOYSA-N 0 3 374.445 1.457 20 5 FDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000910287573 857038021 /nfs/dbraw/zinc/03/80/21/857038021.db2.gz LHVSPIGQDRFBLF-ZDUSSCGKSA-N 0 3 351.403 1.925 20 5 FDBDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000760903575 863423208 /nfs/dbraw/zinc/42/32/08/863423208.db2.gz LGBHAOIAUUSKJZ-MRXNPFEDSA-N 0 3 367.358 1.583 20 5 FDBDHN COC(=O)CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000173534630 865978911 /nfs/dbraw/zinc/97/89/11/865978911.db2.gz JVAJCTDYLUVNJZ-UHFFFAOYSA-N 0 3 362.386 1.946 20 5 FDBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428793089 868009183 /nfs/dbraw/zinc/00/91/83/868009183.db2.gz JTOVCFKDSUGFJX-LJQANCHMSA-N 0 3 371.393 1.573 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)c2ccc(F)cc2F)cc1 ZINC000916967286 882736422 /nfs/dbraw/zinc/73/64/22/882736422.db2.gz VRECSTSNNJILHT-ULQDDVLXSA-N 0 3 368.336 1.591 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272688906 879224060 /nfs/dbraw/zinc/22/40/60/879224060.db2.gz WSSRHNMKQYWOIB-CZUORRHYSA-N 0 3 370.413 1.650 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@H]2C1 ZINC000272699160 879740901 /nfs/dbraw/zinc/74/09/01/879740901.db2.gz YGYPPZZRIIBNKI-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498512443 885130150 /nfs/dbraw/zinc/13/01/50/885130150.db2.gz SXUXTFDUQQTWMP-GFCCVEGCSA-N 0 3 360.418 1.227 20 5 FDBDHN Cc1nc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)cs1 ZINC001035187592 885753265 /nfs/dbraw/zinc/75/32/65/885753265.db2.gz YEWWWEOVMJUNMR-HUUCEWRRSA-N 0 3 364.471 1.931 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](C[C@H]3COCCN3)c3ccccc32)c1 ZINC000923543640 889696496 /nfs/dbraw/zinc/69/64/96/889696496.db2.gz WMLRKFSULIQFJG-GJZGRUSLSA-N 0 3 357.414 1.774 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000272825185 891002962 /nfs/dbraw/zinc/00/29/62/891002962.db2.gz DLBHYTSBMRFEAJ-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN O=C(NC1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788276 893956598 /nfs/dbraw/zinc/95/65/98/893956598.db2.gz PAPGDDUXRMUKGD-UKRRQHHQSA-N 0 3 367.833 1.965 20 5 FDBDHN CC(C)c1cnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997776542 909672649 /nfs/dbraw/zinc/67/26/49/909672649.db2.gz OUADKSZKASZNHS-ZIAGYGMSSA-N 0 3 350.419 1.791 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000746045341 927567040 /nfs/dbraw/zinc/56/70/40/927567040.db2.gz FCCRLKNFGUNWQL-SNVBAGLBSA-N 0 3 354.794 1.645 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169030080 928227379 /nfs/dbraw/zinc/22/73/79/928227379.db2.gz VYXDMRNIKRECQH-JKSUJKDBSA-N 0 3 362.478 1.568 20 5 FDBDHN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018107 928237128 /nfs/dbraw/zinc/23/71/28/928237128.db2.gz BPNHZRCPFPRILT-ITQYTPKQSA-N 0 3 374.441 1.947 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000785803616 931627104 /nfs/dbraw/zinc/62/71/04/931627104.db2.gz XRYLZNAYFBGFCZ-QWHCGFSZSA-N 0 3 366.374 1.579 20 5 FDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCC(=O)NC(C)C ZINC000813104809 941326449 /nfs/dbraw/zinc/32/64/49/941326449.db2.gz RXQPIPLKNKAPMX-LLVKDONJSA-N 0 3 354.359 1.421 20 5 FDBDHN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105215 941333893 /nfs/dbraw/zinc/33/38/93/941333893.db2.gz KNAQKEGZASOVFC-ZJUUUORDSA-N 0 3 356.762 1.910 20 5 FDBDHN CCCN1C(=O)CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1c1cncn1C ZINC000813115576 941336791 /nfs/dbraw/zinc/33/67/91/941336791.db2.gz VULPHWHXJCSGRG-YWPYICTPSA-N 0 3 352.391 1.318 20 5 FDBDHN O=C(N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001135191808 941954575 /nfs/dbraw/zinc/95/45/75/941954575.db2.gz IHIMKDYRBTYUJQ-UMVBOHGHSA-N 0 3 357.332 1.975 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819307696 943512901 /nfs/dbraw/zinc/51/29/01/943512901.db2.gz DHIGGQUPZYXPGH-LSDHHAIUSA-N 0 3 357.432 1.032 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000821052963 944339056 /nfs/dbraw/zinc/33/90/56/944339056.db2.gz RMXJDFRKPDJOPI-OAHLLOKOSA-N 0 3 353.394 1.630 20 5 FDBDHN COc1ccc(C(=O)NCC(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000825452271 947251896 /nfs/dbraw/zinc/25/18/96/947251896.db2.gz HQQAPJADUIDVCI-UHFFFAOYSA-N 0 3 365.386 1.362 20 5 FDBDHN CN1CCC(N(CCO)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001143828334 947831690 /nfs/dbraw/zinc/83/16/90/947831690.db2.gz IFRWILJDTWXMBR-UHFFFAOYSA-N 0 3 374.800 1.498 20 5 FDBDHN O=[N+]([O-])c1ccnn1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000844726104 948334459 /nfs/dbraw/zinc/33/44/59/948334459.db2.gz AGTMFOKNYGPKRP-IRXDYDNUSA-N 0 3 357.414 1.724 20 5 FDBDHN CC([C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878066 950052164 /nfs/dbraw/zinc/05/21/64/950052164.db2.gz TUSNRWKPTDQFEI-XPTSAGLGSA-N 0 3 352.278 1.880 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC2CN(CCCC3CCC3)C2)CC1 ZINC001093536320 958317059 /nfs/dbraw/zinc/31/70/59/958317059.db2.gz GAZOPMMJJDCALL-QZTJIDSGSA-N 0 3 365.474 1.924 20 5 FDBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000795287378 1013271872 /nfs/dbraw/zinc/27/18/72/1013271872.db2.gz KNHMZSWXINDNAI-UHFFFAOYSA-N 0 3 356.342 1.861 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)N2CCOCC2)c1F ZINC001173176412 961952583 /nfs/dbraw/zinc/95/25/83/961952583.db2.gz GZIZZXFOGLRIBN-NSHDSACASA-N 0 3 355.366 1.122 20 5 FDBDHN COC(=O)[C@@H]1C[C@H](C(=O)OC)CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234045 961972857 /nfs/dbraw/zinc/97/28/57/961972857.db2.gz OXVHNATWEXZQBW-AEGPPILISA-N 0 3 364.398 1.810 20 5 FDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000774536195 962427488 /nfs/dbraw/zinc/42/74/88/962427488.db2.gz KAZSTXUOXWNJIH-QWHCGFSZSA-N 0 3 370.431 1.786 20 5 FDBDHN CN(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1(C)COC1 ZINC001173705840 962588965 /nfs/dbraw/zinc/58/89/65/962588965.db2.gz VNPWHDIBHAACIG-UHFFFAOYSA-N 0 3 369.443 1.469 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3ncccn3)CC2)CC1 ZINC000957547314 1013436838 /nfs/dbraw/zinc/43/68/38/1013436838.db2.gz APMCZBOHPGEOCO-HUUCEWRRSA-N 0 3 359.430 1.346 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000853201113 967905818 /nfs/dbraw/zinc/90/58/18/967905818.db2.gz RREVGTTWVXXWMJ-UHFFFAOYSA-N 0 3 368.390 1.562 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854185501 968678331 /nfs/dbraw/zinc/67/83/31/968678331.db2.gz ZBZPPEDQTNKIAH-UHFFFAOYSA-N 0 3 371.825 1.732 20 5 FDBDHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](N2CC=CC2)C1 ZINC000848479576 976810222 /nfs/dbraw/zinc/81/02/22/976810222.db2.gz FXNHHVUWQKRYRO-ZWKOTPCHSA-N 0 3 356.426 1.814 20 5 FDBDHN O=[N+]([O-])c1ccc(I)c(OC[C@@H]2CNCCO2)c1 ZINC000849240936 977380989 /nfs/dbraw/zinc/38/09/89/977380989.db2.gz ZKDXDGRKPQNTOF-VIFPVBQESA-N 0 3 364.139 1.567 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000849503248 977697981 /nfs/dbraw/zinc/69/79/81/977697981.db2.gz WRYJHOJURWAXFE-JKSUJKDBSA-N 0 3 357.414 1.680 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)cc([N+](=O)[O-])c1F ZINC000883478618 982197942 /nfs/dbraw/zinc/19/79/42/982197942.db2.gz QYVJAMSTDIISBV-UHFFFAOYSA-N 0 3 357.407 1.949 20 5 FDBDHN COc1ccc(CC(=O)OC[C@@]2(C)C[C@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861343721 983694408 /nfs/dbraw/zinc/69/44/08/983694408.db2.gz JJSWYKYGVODCFC-SUMWQHHRSA-N 0 3 352.387 1.798 20 5 FDBDHN Cc1ccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000869053482 984790627 /nfs/dbraw/zinc/79/06/27/984790627.db2.gz ASSFQDHOIYQOCI-ZDUSSCGKSA-N 0 3 363.418 1.165 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885865383 985720425 /nfs/dbraw/zinc/72/04/25/985720425.db2.gz DXBBHSNDYYDSQQ-HNNXBMFYSA-N 0 3 363.414 1.515 20 5 FDBDHN C[C@](O)(CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)F ZINC000886131984 985922781 /nfs/dbraw/zinc/92/27/81/985922781.db2.gz LTTCGLWVYSUMIH-INIZCTEOSA-N 0 3 369.372 1.999 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298316945 990038583 /nfs/dbraw/zinc/03/85/83/990038583.db2.gz YYWHQPKJMDTREG-UHFFFAOYSA-N 0 3 366.418 1.187 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@@H](C)N(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000298372917 990077504 /nfs/dbraw/zinc/07/75/04/990077504.db2.gz WAVRNFPTQSPFCA-GFCCVEGCSA-N 0 3 359.386 1.129 20 5 FDBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@@H]1N1CCN(C)CC1 ZINC000371339089 990367580 /nfs/dbraw/zinc/36/75/80/990367580.db2.gz MCYGHBYRGKEBSZ-KBPBESRZSA-N 0 3 359.434 1.100 20 5 FDBDHN Cn1cc([C@H](O)C[C@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000371458776 990447249 /nfs/dbraw/zinc/44/72/49/990447249.db2.gz MBMCKWCEYGTKTO-NXHRZFHOSA-N 0 3 360.414 1.950 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000874832341 990557582 /nfs/dbraw/zinc/55/75/82/990557582.db2.gz DWXHIKINESSEOJ-GVDBMIGSSA-N 0 3 358.398 1.783 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000874840155 990564526 /nfs/dbraw/zinc/56/45/26/990564526.db2.gz KHXNSUFIKXSIRM-CVEARBPZSA-N 0 3 356.386 1.484 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000876472337 992635699 /nfs/dbraw/zinc/63/56/99/992635699.db2.gz KFFRNFUDKYIWOJ-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000468971183 993725117 /nfs/dbraw/zinc/72/51/17/993725117.db2.gz OOKMPQDTIFWRPR-GFCCVEGCSA-N 0 3 360.370 1.072 20 5 FDBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000271268465 999682790 /nfs/dbraw/zinc/68/27/90/999682790.db2.gz IBJDIOQDPXPEJG-INIZCTEOSA-N 0 3 373.413 1.753 20 5 FDBDHN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)[NH+]1CCCC1 ZINC000284879554 999877364 /nfs/dbraw/zinc/87/73/64/999877364.db2.gz FSZYWKHWXLQIFU-AWEZNQCLSA-N 0 3 359.386 1.893 20 5 FDBDHN CN1C(=O)N[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000286122427 999940497 /nfs/dbraw/zinc/94/04/97/999940497.db2.gz WTRQGTPBMWQJJP-CABCVRRESA-N 0 3 371.397 1.890 20 5 FDBDHN COC(=O)N1CCC(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC000796511117 1017326728 /nfs/dbraw/zinc/32/67/28/1017326728.db2.gz PISKTUDKLPHDBM-UHFFFAOYSA-N 0 3 353.375 1.877 20 5 FDBDHN CN(c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1)C1CCN(C)CC1 ZINC000193403297 178161361 /nfs/dbraw/zinc/16/13/61/178161361.db2.gz CJAGWSJHSIYPTN-UHFFFAOYSA-N 0 3 372.429 1.960 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000193990264 178192308 /nfs/dbraw/zinc/19/23/08/178192308.db2.gz CFEBOKRRPLJMDV-UHFFFAOYSA-N 0 3 350.375 1.800 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000229403641 178272524 /nfs/dbraw/zinc/27/25/24/178272524.db2.gz SQVPERMYWOQSTG-HIFRSBDPSA-N 0 3 352.387 1.419 20 5 FDBDHN C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1 ZINC000237728321 178327558 /nfs/dbraw/zinc/32/75/58/178327558.db2.gz FENZGSBZZZJXFF-RYUDHWBXSA-N 0 3 362.386 1.492 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000509823640 538951966 /nfs/dbraw/zinc/95/19/66/538951966.db2.gz DUUXEOZWTUKJRX-NSHDSACASA-N 0 3 350.419 1.897 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnnn1CCN(C)C ZINC000510071393 538952482 /nfs/dbraw/zinc/95/24/82/538952482.db2.gz MBYSKXFFIUKTQL-UHFFFAOYSA-N 0 3 365.419 1.182 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264284625 179069370 /nfs/dbraw/zinc/06/93/70/179069370.db2.gz RXHQINIGHBFXTF-UHFFFAOYSA-N 0 3 372.809 1.223 20 5 FDBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CN1CCN(C)CC1 ZINC000265118846 179291430 /nfs/dbraw/zinc/29/14/30/179291430.db2.gz NCGRMUTUVMQINR-ZDUSSCGKSA-N 0 3 360.414 1.954 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000265200487 179310121 /nfs/dbraw/zinc/31/01/21/179310121.db2.gz JJRACGDXHUUDDC-AWEZNQCLSA-N 0 3 367.402 1.405 20 5 FDBDHN COC(=O)CC1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000269031958 180201789 /nfs/dbraw/zinc/20/17/89/180201789.db2.gz AMEDXBGFXFJENK-UHFFFAOYSA-N 0 3 368.386 1.684 20 5 FDBDHN CC(C)OCCOC[C@@H](O)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672340 180357538 /nfs/dbraw/zinc/35/75/38/180357538.db2.gz VGEZTFNZVLNRBM-DLBZAZTESA-N 0 3 356.419 1.363 20 5 FDBDHN CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274130439 181030255 /nfs/dbraw/zinc/03/02/55/181030255.db2.gz WDAHTRUEKCWDGV-HZPDHXFCSA-N 0 3 364.471 1.705 20 5 FDBDHN CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274130440 181030266 /nfs/dbraw/zinc/03/02/66/181030266.db2.gz WDAHTRUEKCWDGV-JKSUJKDBSA-N 0 3 364.471 1.705 20 5 FDBDHN CS[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274130438 181030216 /nfs/dbraw/zinc/03/02/16/181030216.db2.gz WDAHTRUEKCWDGV-HOTGVXAUSA-N 0 3 364.471 1.705 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN(C)C1CC1 ZINC000274535711 181116618 /nfs/dbraw/zinc/11/66/18/181116618.db2.gz ZUAQQRKRIWKHJZ-UHFFFAOYSA-N 0 3 372.447 1.307 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274578385 181126064 /nfs/dbraw/zinc/12/60/64/181126064.db2.gz NPYYHZCKRPIZST-UHFFFAOYSA-N 0 3 366.443 1.338 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO ZINC000934262340 781932537 /nfs/dbraw/zinc/93/25/37/781932537.db2.gz WMNTVBJTGVLGCS-XOKHGSTOSA-N 0 3 362.430 1.453 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)C(=O)N(C)C ZINC000533386936 540241704 /nfs/dbraw/zinc/24/17/04/540241704.db2.gz RMYOYPUIIQLWOM-UHFFFAOYSA-N 0 3 352.391 1.388 20 5 FDBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000275316959 181288855 /nfs/dbraw/zinc/28/88/55/181288855.db2.gz OKULIWWAYYYTBV-YOEHRIQHSA-N 0 3 361.402 1.227 20 5 FDBDHN Cn1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000534916947 540426805 /nfs/dbraw/zinc/42/68/05/540426805.db2.gz PTDKNDHLNPFKLG-HOTGVXAUSA-N 0 3 372.425 1.546 20 5 FDBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000537973360 540795098 /nfs/dbraw/zinc/79/50/98/540795098.db2.gz HHTQHBAMTMOMPC-QWHCGFSZSA-N 0 3 357.432 1.278 20 5 FDBDHN COc1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1OCCO ZINC000539279267 540942027 /nfs/dbraw/zinc/94/20/27/540942027.db2.gz GYOWKIFXJVZUNK-LBPRGKRZSA-N 0 3 350.375 1.522 20 5 FDBDHN O=C(CN[C@H](CO)C1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541981876 541312480 /nfs/dbraw/zinc/31/24/80/541312480.db2.gz FERVBBKTZZMIDE-CYBMUJFWSA-N 0 3 365.386 1.793 20 5 FDBDHN Cc1n[nH]c(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000542013018 541319797 /nfs/dbraw/zinc/31/97/97/541319797.db2.gz CRLVLYQUPAMQEL-OAHLLOKOSA-N 0 3 373.413 1.513 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542076268 541331626 /nfs/dbraw/zinc/33/16/26/541331626.db2.gz PKGNFKNRLSQHGF-ZYHUDNBSSA-N 0 3 350.375 1.141 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275660186 181380456 /nfs/dbraw/zinc/38/04/56/181380456.db2.gz VKDRESZFVQBVLQ-CHWSQXEVSA-N 0 3 364.402 1.566 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000544737986 541820183 /nfs/dbraw/zinc/82/01/83/541820183.db2.gz XVTJSSGSZVBNGN-UHFFFAOYSA-N 0 3 373.413 1.485 20 5 FDBDHN COC(=O)c1cc(C)nc(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000283482062 182195025 /nfs/dbraw/zinc/19/50/25/182195025.db2.gz HDPYFXQDJMTBRL-LBPRGKRZSA-N 0 3 352.391 1.344 20 5 FDBDHN CN(C)CCOc1ccccc1-c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000545690272 542009502 /nfs/dbraw/zinc/00/95/02/542009502.db2.gz ZRLBOUVQGVDZMR-UHFFFAOYSA-N 0 3 359.346 1.225 20 5 FDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000286266287 183027244 /nfs/dbraw/zinc/02/72/44/183027244.db2.gz VURODIOGJHASJW-MRXNPFEDSA-N 0 3 374.397 1.184 20 5 FDBDHN CNC(=O)CC[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286630561 183114438 /nfs/dbraw/zinc/11/44/38/183114438.db2.gz YGCKOJOVZSTALF-ZBFHGGJFSA-N 0 3 365.430 1.715 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295213105 184046272 /nfs/dbraw/zinc/04/62/72/184046272.db2.gz AEBPDRUEWFGVFL-YOGCLGLASA-N 0 3 355.416 1.507 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295722795 184098409 /nfs/dbraw/zinc/09/84/09/184098409.db2.gz QRVVGXPZOAUUEZ-KGLIPLIRSA-N 0 3 374.441 1.656 20 5 FDBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296094065 184130092 /nfs/dbraw/zinc/13/00/92/184130092.db2.gz DDVKGWFQMCRCTI-CABCVRRESA-N 0 3 354.794 1.471 20 5 FDBDHN CC1(C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCO[C@@H]21 ZINC000296260156 184146154 /nfs/dbraw/zinc/14/61/54/184146154.db2.gz OBKAWJBJCINHTB-ISDMBGJFSA-N 0 3 363.370 1.665 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000297210742 184246064 /nfs/dbraw/zinc/24/60/64/184246064.db2.gz BRTUOKGOXSETMW-NSHDSACASA-N 0 3 350.350 1.287 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000297687986 184307237 /nfs/dbraw/zinc/30/72/37/184307237.db2.gz ADIKDCDGHUFXDH-CQSZACIVSA-N 0 3 350.419 1.934 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000297758393 184323265 /nfs/dbraw/zinc/32/32/65/184323265.db2.gz FIEQDFRFTHJXDF-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN Cc1c(C(=O)N2CCN(CCN(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000170841780 258265431 /nfs/dbraw/zinc/26/54/31/258265431.db2.gz CUXPXZZJBNAQCV-UHFFFAOYSA-N 0 3 365.390 1.131 20 5 FDBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1F)NCCN1CCCCCC1 ZINC000552699017 543504156 /nfs/dbraw/zinc/50/41/56/543504156.db2.gz ZSIFPBOUNWRIQX-UHFFFAOYSA-N 0 3 366.393 1.456 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC000085456781 172218034 /nfs/dbraw/zinc/21/80/34/172218034.db2.gz JCLJARWQASFYAC-CHWSQXEVSA-N 0 3 350.419 1.796 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000090549976 172267183 /nfs/dbraw/zinc/26/71/83/172267183.db2.gz BNAGOCILFPCACK-AWEZNQCLSA-N 0 3 368.397 1.679 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103633298 172370222 /nfs/dbraw/zinc/37/02/22/172370222.db2.gz VMBHHOXZQZFGLS-UHFFFAOYSA-N 0 3 368.821 1.987 20 5 FDBDHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000130383402 173168825 /nfs/dbraw/zinc/16/88/25/173168825.db2.gz MYBOAISIDAYCDL-GFCCVEGCSA-N 0 3 372.385 1.268 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131228845 173193665 /nfs/dbraw/zinc/19/36/65/173193665.db2.gz SSSKHIQJLJUXCW-GHMZBOCLSA-N 0 3 354.794 1.820 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134118594 173318770 /nfs/dbraw/zinc/31/87/70/173318770.db2.gz CZPUYGKHVFYJNY-LLVKDONJSA-N 0 3 368.821 1.987 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135262681 173341408 /nfs/dbraw/zinc/34/14/08/173341408.db2.gz YKDFPYAMFWQNLZ-CQSZACIVSA-N 0 3 364.377 1.288 20 5 FDBDHN CCO[C@H]1C[C@H](O)C12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137066895 173368026 /nfs/dbraw/zinc/36/80/26/173368026.db2.gz JQXIGEUDQSBEEM-ULQDDVLXSA-N 0 3 350.415 1.880 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152375094 173430993 /nfs/dbraw/zinc/43/09/93/173430993.db2.gz RUGPVODCOBTQMK-UHFFFAOYSA-N 0 3 362.386 1.134 20 5 FDBDHN CC(=O)N(C)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181644140 174238240 /nfs/dbraw/zinc/23/82/40/174238240.db2.gz TUICOGHTCBSLSA-HNNXBMFYSA-N 0 3 351.403 1.277 20 5 FDBDHN CC(C)[NH+]1CCC(NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000180458281 258369107 /nfs/dbraw/zinc/36/91/07/258369107.db2.gz OGGVKNVWVRHZHV-UHFFFAOYSA-N 0 3 370.475 1.336 20 5 FDBDHN C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000174104470 258319102 /nfs/dbraw/zinc/31/91/02/258319102.db2.gz SGHIIEJDZVYRNX-HUUCEWRRSA-N 0 3 363.462 1.839 20 5 FDBDHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178821376 258336115 /nfs/dbraw/zinc/33/61/15/258336115.db2.gz OYAHFURIPHBMGS-HNNXBMFYSA-N 0 3 374.441 1.138 20 5 FDBDHN O=C(CCN1CCN(C[C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178821229 258336450 /nfs/dbraw/zinc/33/64/50/258336450.db2.gz QLLPLKMIBXZUFA-OAHLLOKOSA-N 0 3 362.430 1.578 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000192922232 258392492 /nfs/dbraw/zinc/39/24/92/258392492.db2.gz NBYDQLCNMVXMQB-PHIMTYICSA-N 0 3 359.835 1.739 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@H](C)C2)n1 ZINC000553583343 543663298 /nfs/dbraw/zinc/66/32/98/543663298.db2.gz ZFOQMEOMYQVAQN-GFCCVEGCSA-N 0 3 352.391 1.689 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCN1CCCC1=O ZINC000554558481 543824265 /nfs/dbraw/zinc/82/42/65/543824265.db2.gz VPOSZOHXERPVCL-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000557457254 544294029 /nfs/dbraw/zinc/29/40/29/544294029.db2.gz NCASFIBPKCACEX-TXEJJXNPSA-N 0 3 356.448 1.917 20 5 FDBDHN CN1CCC(N(Cc2ccco2)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299503115 259002138 /nfs/dbraw/zinc/00/21/38/259002138.db2.gz KWVHEJBCBGGJNJ-UHFFFAOYSA-N 0 3 374.397 1.473 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301215889 259023127 /nfs/dbraw/zinc/02/31/27/259023127.db2.gz XZNZRHZWFBKDDD-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1C ZINC000332323073 259257572 /nfs/dbraw/zinc/25/75/72/259257572.db2.gz QVKYSNJHKAICIQ-QWHCGFSZSA-N 0 3 350.423 1.621 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000332547723 259276243 /nfs/dbraw/zinc/27/62/43/259276243.db2.gz NZLHPXYZAKKTEZ-LSDHHAIUSA-N 0 3 361.446 1.909 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000365212448 259822269 /nfs/dbraw/zinc/82/22/69/259822269.db2.gz AVTHBNJLVRYCOA-MRXNPFEDSA-N 0 3 372.429 1.605 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367950892 260114750 /nfs/dbraw/zinc/11/47/50/260114750.db2.gz OMICLKDVUNJXDJ-MNOVXSKESA-N 0 3 363.399 1.193 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000368753572 260231970 /nfs/dbraw/zinc/23/19/70/260231970.db2.gz JJFKKDZGZUOLIB-GOSISDBHSA-N 0 3 373.413 1.037 20 5 FDBDHN C[C@H](CO)N1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368973968 260270492 /nfs/dbraw/zinc/27/04/92/260270492.db2.gz MHLDTYBMADJBQQ-GFCCVEGCSA-N 0 3 370.837 1.575 20 5 FDBDHN O=[N+]([O-])c1c(N[C@H]2CCN(CCN3CCOCC3)C2)ccc2ncccc21 ZINC000369343286 260344439 /nfs/dbraw/zinc/34/44/39/260344439.db2.gz CFDGBPSCLVAXBW-HNNXBMFYSA-N 0 3 371.441 1.961 20 5 FDBDHN Cc1nc2c(s1)CCC[C@H]2CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369535397 260385765 /nfs/dbraw/zinc/38/57/65/260385765.db2.gz ALDRYRFRJNOCLN-JSGCOSHPSA-N 0 3 365.459 1.969 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000373586144 261022635 /nfs/dbraw/zinc/02/26/35/261022635.db2.gz QKRWEPLDLBCEMO-WMZOPIPTSA-N 0 3 358.398 1.674 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000373672479 261029670 /nfs/dbraw/zinc/02/96/70/261029670.db2.gz IAPXFDJZRUHYRU-KRWDZBQOSA-N 0 3 362.386 1.806 20 5 FDBDHN C[C@]1(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000374200204 261092506 /nfs/dbraw/zinc/09/25/06/261092506.db2.gz AUWKUXUQGBHLJR-QGZVFWFLSA-N 0 3 362.386 1.284 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N2CCCN([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375502044 261356238 /nfs/dbraw/zinc/35/62/38/261356238.db2.gz PPIZXTOPDXWSFP-ZFWWWQNUSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@H]1CN(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000377961673 261925817 /nfs/dbraw/zinc/92/58/17/261925817.db2.gz LVWPWRAMBZGRID-KBPBESRZSA-N 0 3 365.434 1.139 20 5 FDBDHN O=C([C@@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCCC1 ZINC000378400996 262017243 /nfs/dbraw/zinc/01/72/43/262017243.db2.gz JXDWKKBRMGLGBX-HNNXBMFYSA-N 0 3 361.446 1.906 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000270659833 674246211 /nfs/dbraw/zinc/24/62/11/674246211.db2.gz OQFQJWVBDHGERK-HUUCEWRRSA-N 0 3 352.460 1.819 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000065780049 522885272 /nfs/dbraw/zinc/88/52/72/522885272.db2.gz OKTONOQMYMKLPH-INIZCTEOSA-N 0 3 357.414 1.962 20 5 FDBDHN COc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978394 522932103 /nfs/dbraw/zinc/93/21/03/522932103.db2.gz BBJJPOVOWFPADL-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN CN(C)CCOc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000066046980 522942427 /nfs/dbraw/zinc/94/24/27/522942427.db2.gz UHXZXCYDYNHPAH-UHFFFAOYSA-N 0 3 361.402 1.438 20 5 FDBDHN O=C(NCCc1cn2c(n1)CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075713336 522961263 /nfs/dbraw/zinc/96/12/63/522961263.db2.gz PNWAMTNUBCQMOA-UHFFFAOYSA-N 0 3 354.370 1.976 20 5 FDBDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000052160006 523130019 /nfs/dbraw/zinc/13/00/19/523130019.db2.gz ZFDIIHOVASZJLB-RYUDHWBXSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067137335 523331660 /nfs/dbraw/zinc/33/16/60/523331660.db2.gz PXCYPVYNNLOWJN-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067306080 523385072 /nfs/dbraw/zinc/38/50/72/523385072.db2.gz DDEYVEDNZIEGAR-CYBMUJFWSA-N 0 3 356.386 1.390 20 5 FDBDHN CNS(=O)(=O)c1ccc(NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000077656676 523404786 /nfs/dbraw/zinc/40/47/86/523404786.db2.gz SXGSLSAKGSOTQZ-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN Cc1ccccc1CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000053968296 523544900 /nfs/dbraw/zinc/54/49/00/523544900.db2.gz OCRFBCHEBPXKFR-UHFFFAOYSA-N 0 3 357.414 1.881 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000078799779 523653359 /nfs/dbraw/zinc/65/33/59/523653359.db2.gz ZRYIYYDSNPHUCC-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000138620333 524261073 /nfs/dbraw/zinc/26/10/73/524261073.db2.gz YFHVTQOTUMDIPI-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173595650 524421898 /nfs/dbraw/zinc/42/18/98/524421898.db2.gz QNWLDJZUWPXOEE-BBRMVZONSA-N 0 3 367.450 1.025 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000173991520 524499176 /nfs/dbraw/zinc/49/91/76/524499176.db2.gz YUBVAOFTHKOKKJ-LBPRGKRZSA-N 0 3 357.432 1.708 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000150928692 524507623 /nfs/dbraw/zinc/50/76/23/524507623.db2.gz QWPSRTPCLDINBP-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000151620265 524632783 /nfs/dbraw/zinc/63/27/83/524632783.db2.gz ZXBOOKCFLOAUKZ-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c(F)c1 ZINC000151630430 524635197 /nfs/dbraw/zinc/63/51/97/524635197.db2.gz NYLWBEJIEIYWNG-LBPRGKRZSA-N 0 3 357.407 1.840 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c(F)c1 ZINC000151630353 524635582 /nfs/dbraw/zinc/63/55/82/524635582.db2.gz NYLWBEJIEIYWNG-GFCCVEGCSA-N 0 3 357.407 1.840 20 5 FDBDHN CN1CCC[C@@H](CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000091483057 524715919 /nfs/dbraw/zinc/71/59/19/524715919.db2.gz JYJWDCJTIDRKJB-AWEZNQCLSA-N 0 3 362.430 1.821 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160197410 524828191 /nfs/dbraw/zinc/82/81/91/524828191.db2.gz PADGYORAIWHVSJ-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000152725557 524982323 /nfs/dbraw/zinc/98/23/23/524982323.db2.gz VTPAQQONIHSGDG-OAHLLOKOSA-N 0 3 364.377 1.113 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152791078 525008514 /nfs/dbraw/zinc/00/85/14/525008514.db2.gz RXOOHAAPQQBEDN-INIZCTEOSA-N 0 3 364.427 1.761 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000152882613 525039351 /nfs/dbraw/zinc/03/93/51/525039351.db2.gz MCLRYUPLAGZFRG-DGCLKSJQSA-N 0 3 357.407 1.839 20 5 FDBDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000161449098 525109926 /nfs/dbraw/zinc/10/99/26/525109926.db2.gz LVBBWMGTGGUXSO-ZDUSSCGKSA-N 0 3 371.459 1.308 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000153231055 525151922 /nfs/dbraw/zinc/15/19/22/525151922.db2.gz VPHMWXUCAWDCNK-ZDUSSCGKSA-N 0 3 360.208 1.400 20 5 FDBDHN C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000153484059 525225884 /nfs/dbraw/zinc/22/58/84/525225884.db2.gz IEWXIYAVFLVQJG-VXGBXAGGSA-N 0 3 368.459 1.882 20 5 FDBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000125864138 525245573 /nfs/dbraw/zinc/24/55/73/525245573.db2.gz IPBYYPDRDBIWHJ-MRXNPFEDSA-N 0 3 358.398 1.046 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162746013 525309541 /nfs/dbraw/zinc/30/95/41/525309541.db2.gz WDHVPOWAOPNPCX-INIZCTEOSA-N 0 3 362.430 1.342 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162896738 525331147 /nfs/dbraw/zinc/33/11/47/525331147.db2.gz ZODTWUNJSHXPAP-AWEZNQCLSA-N 0 3 355.460 1.741 20 5 FDBDHN COc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000104532413 525417048 /nfs/dbraw/zinc/41/70/48/525417048.db2.gz UDHAIZUAHLKQST-CQSZACIVSA-N 0 3 351.403 1.786 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000118129086 525474935 /nfs/dbraw/zinc/47/49/35/525474935.db2.gz ONNUMJCIHVWSHH-SECBINFHSA-N 0 3 354.794 1.786 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)C[C@@H](C)O1 ZINC000166107300 525572596 /nfs/dbraw/zinc/57/25/96/525572596.db2.gz XHWUEMHJPVSFMV-CHWSQXEVSA-N 0 3 365.434 1.290 20 5 FDBDHN NC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000170674680 525673145 /nfs/dbraw/zinc/67/31/45/525673145.db2.gz QMELYLHPHWLRBI-GOSISDBHSA-N 0 3 354.410 1.986 20 5 FDBDHN CCCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(C)on1 ZINC000130988829 525816493 /nfs/dbraw/zinc/81/64/93/525816493.db2.gz YEXHROGLKNNQRE-CYBMUJFWSA-N 0 3 350.379 1.875 20 5 FDBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000155456685 525871599 /nfs/dbraw/zinc/87/15/99/525871599.db2.gz VGUGIQHOMYFZMK-CQSZACIVSA-N 0 3 367.446 1.865 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000107599478 525897653 /nfs/dbraw/zinc/89/76/53/525897653.db2.gz IIIQZBBUUPWWTR-OAHLLOKOSA-N 0 3 370.413 1.876 20 5 FDBDHN CCN1CCN(CCC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000171265011 525923083 /nfs/dbraw/zinc/92/30/83/525923083.db2.gz OMPHPXQMTMXEIL-UHFFFAOYSA-N 0 3 350.419 1.247 20 5 FDBDHN CN1CC[C@H](Cn2nnnc2Sc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000131981080 525925346 /nfs/dbraw/zinc/92/53/46/525925346.db2.gz FXLKPZHRKYFIPX-QMMMGPOBSA-N 0 3 366.432 1.393 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120043586 525943700 /nfs/dbraw/zinc/94/37/00/525943700.db2.gz TXLXOJKNOLADJN-BBRMVZONSA-N 0 3 357.414 1.736 20 5 FDBDHN CCCCNC(=O)C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000132822650 525996485 /nfs/dbraw/zinc/99/64/85/525996485.db2.gz OKTKRFFWNLVRAQ-OAHLLOKOSA-N 0 3 367.450 1.361 20 5 FDBDHN CN(C(=O)CN[C@H](CC(N)=O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000182103500 526057803 /nfs/dbraw/zinc/05/78/03/526057803.db2.gz ZDYKWDWEWSVIOJ-MRXNPFEDSA-N 0 3 362.430 1.972 20 5 FDBDHN C[C@@H](C(=O)NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182735362 535854821 /nfs/dbraw/zinc/85/48/21/535854821.db2.gz BACCDXIDSVQXNQ-GFCCVEGCSA-N 0 3 353.394 1.800 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183022022 535905462 /nfs/dbraw/zinc/90/54/62/535905462.db2.gz XAPMGADZVZYMAD-KRWDZBQOSA-N 0 3 360.414 1.888 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183502336 535993327 /nfs/dbraw/zinc/99/33/27/535993327.db2.gz AMQBWUPQKOQAQZ-HNNXBMFYSA-N 0 3 362.430 1.624 20 5 FDBDHN Nc1c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000183773259 536048148 /nfs/dbraw/zinc/04/81/48/536048148.db2.gz OBDNTZUGOYUXFQ-OAHLLOKOSA-N 0 3 370.409 1.674 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185599861 536213348 /nfs/dbraw/zinc/21/33/48/536213348.db2.gz AUTPYAUZEQSSPA-CABCVRRESA-N 0 3 363.462 1.981 20 5 FDBDHN CCc1n[nH]c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185812738 536218180 /nfs/dbraw/zinc/21/81/80/536218180.db2.gz PBOKXAFBNPTOTP-RYUDHWBXSA-N 0 3 353.423 1.500 20 5 FDBDHN CSc1cccc(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000188189114 536285511 /nfs/dbraw/zinc/28/55/11/536285511.db2.gz DWGZZNTXZUTTQA-UHFFFAOYSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)ccn1 ZINC000188840584 536958865 /nfs/dbraw/zinc/95/88/65/536958865.db2.gz MQNUVJUZEXMYMR-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000246844130 537037393 /nfs/dbraw/zinc/03/73/93/537037393.db2.gz CGYCZBAIBSTDCG-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1csc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246856124 537039930 /nfs/dbraw/zinc/03/99/30/537039930.db2.gz FIKWFISCOCNCGU-TZMCWYRMSA-N 0 3 351.432 1.797 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000247321362 537107778 /nfs/dbraw/zinc/10/77/78/537107778.db2.gz GKIPSVGOHNDFOT-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000189886678 537110242 /nfs/dbraw/zinc/11/02/42/537110242.db2.gz DMNRUWIDVKWRPH-OLZOCXBDSA-N 0 3 360.414 1.993 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247556835 537133766 /nfs/dbraw/zinc/13/37/66/537133766.db2.gz QYBCGHOYVIVHTD-NWDGAFQWSA-N 0 3 366.443 1.471 20 5 FDBDHN CCCNC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440950 537182727 /nfs/dbraw/zinc/18/27/27/537182727.db2.gz DIHQLRHDFGBGJD-LSDHHAIUSA-N 0 3 365.430 1.573 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000266148787 537190462 /nfs/dbraw/zinc/19/04/62/537190462.db2.gz JTYIVNMPDNEXNU-UHFFFAOYSA-N 0 3 355.391 1.310 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000191525572 537207636 /nfs/dbraw/zinc/20/76/36/537207636.db2.gz PSLWPYUZLDHDLO-UHFFFAOYSA-N 0 3 357.414 1.989 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191687127 537210070 /nfs/dbraw/zinc/21/00/70/537210070.db2.gz BTFYFHONWHVUMI-ZDUSSCGKSA-N 0 3 364.446 1.668 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000290174016 537278248 /nfs/dbraw/zinc/27/82/48/537278248.db2.gz NABKHRPEGGRDBR-GFCCVEGCSA-N 0 3 361.489 1.947 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363695716 537282420 /nfs/dbraw/zinc/28/24/20/537282420.db2.gz VFCKQOSOGBJNCB-DLBZAZTESA-N 0 3 362.430 1.766 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CC2)OCCCO3)c1 ZINC000293011506 537288479 /nfs/dbraw/zinc/28/84/79/537288479.db2.gz OACGLEHLEJUPBT-HNNXBMFYSA-N 0 3 352.387 1.564 20 5 FDBDHN CS[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000273170871 537404945 /nfs/dbraw/zinc/40/49/45/537404945.db2.gz OTDCZUXIZDAKDS-IVMMDQJWSA-N 0 3 355.460 1.312 20 5 FDBDHN C[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271720791 537485244 /nfs/dbraw/zinc/48/52/44/537485244.db2.gz QEZCDXSAQDUJJN-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291837633 537683426 /nfs/dbraw/zinc/68/34/26/537683426.db2.gz GNRGJBVYXKEPDL-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000291962916 537693876 /nfs/dbraw/zinc/69/38/76/537693876.db2.gz WQNDFVBPQQAJFK-YOEHRIQHSA-N 0 3 370.409 1.536 20 5 FDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285415376 537706777 /nfs/dbraw/zinc/70/67/77/537706777.db2.gz BPHZFPXVMSOXSW-PVAVHDDUSA-N 0 3 365.430 1.130 20 5 FDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000292353369 537729628 /nfs/dbraw/zinc/72/96/28/537729628.db2.gz QULFTDHFNSRBQK-LBPRGKRZSA-N 0 3 368.459 1.553 20 5 FDBDHN CN(C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000285635145 537739398 /nfs/dbraw/zinc/73/93/98/537739398.db2.gz OBWVBMPTDFMFNW-OAHLLOKOSA-N 0 3 355.460 1.741 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411540795 537763602 /nfs/dbraw/zinc/76/36/02/537763602.db2.gz XIVOCUVOUWSQKN-BBRMVZONSA-N 0 3 360.414 1.927 20 5 FDBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419010288 537894223 /nfs/dbraw/zinc/89/42/23/537894223.db2.gz PHIKLKPYKYWMMR-LLVKDONJSA-N 0 3 364.402 1.392 20 5 FDBDHN COc1cc(CCNC(=O)N2CCCNCC2)c([N+](=O)[O-])cc1OC ZINC000416902682 537966059 /nfs/dbraw/zinc/96/60/59/537966059.db2.gz LVSXGIPEPJWYCJ-UHFFFAOYSA-N 0 3 352.391 1.159 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000377563800 537977892 /nfs/dbraw/zinc/97/78/92/537977892.db2.gz GVJUNIXROJVEBV-HUUCEWRRSA-N 0 3 359.386 1.142 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420379755 538282820 /nfs/dbraw/zinc/28/28/20/538282820.db2.gz NKIKZKIKUMPMBJ-MLGOLLRUSA-N 0 3 373.417 1.309 20 5 FDBDHN N[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000429101998 538334426 /nfs/dbraw/zinc/33/44/26/538334426.db2.gz UNIZIEQBWGHTRY-KBPBESRZSA-N 0 3 372.381 1.609 20 5 FDBDHN [NH3+]CCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447256801 538362880 /nfs/dbraw/zinc/36/28/80/538362880.db2.gz PCYJYGGXVLNXOG-UHFFFAOYSA-N 0 3 352.210 1.375 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000452350374 538377071 /nfs/dbraw/zinc/37/70/71/538377071.db2.gz OEDLBMYHOSUYDS-KRWDZBQOSA-N 0 3 373.413 1.357 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452356160 538380090 /nfs/dbraw/zinc/38/00/90/538380090.db2.gz ZPCQTTCUEHTMGX-MRXNPFEDSA-N 0 3 373.413 1.357 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000452378528 538385590 /nfs/dbraw/zinc/38/55/90/538385590.db2.gz OVHLNDJHZKAETD-ZDUSSCGKSA-N 0 3 358.398 1.720 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000452388416 538390732 /nfs/dbraw/zinc/39/07/32/538390732.db2.gz JMDVOUSYGNDYNW-CQSZACIVSA-N 0 3 350.419 1.360 20 5 FDBDHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000471644521 538529815 /nfs/dbraw/zinc/52/98/15/538529815.db2.gz VLVOOFQSJTWZHC-UHFFFAOYSA-N 0 3 351.812 1.105 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472629688 538676680 /nfs/dbraw/zinc/67/66/80/538676680.db2.gz VQFBXVZEENDUDD-QMTHXVAHSA-N 0 3 352.366 1.517 20 5 FDBDHN COC(=O)C[C@@]1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000464600197 538700325 /nfs/dbraw/zinc/70/03/25/538700325.db2.gz GHXMKTRJCJUKLN-KRWDZBQOSA-N 0 3 365.386 1.544 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[C@@H]1C ZINC000469482140 538798020 /nfs/dbraw/zinc/79/80/20/538798020.db2.gz PSLSQJXCVHRKFU-WCQYABFASA-N 0 3 352.439 1.380 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ncccc1F ZINC000562996077 546347326 /nfs/dbraw/zinc/34/73/26/546347326.db2.gz GZYSFQHUJBTSJS-LBPRGKRZSA-N 0 3 351.334 1.537 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000563837795 546703501 /nfs/dbraw/zinc/70/35/01/546703501.db2.gz ZOCVORNMNWCGPW-UHFFFAOYSA-N 0 3 374.397 1.625 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000563897492 546728355 /nfs/dbraw/zinc/72/83/55/546728355.db2.gz RJZPLJJQTMDMRE-SNVBAGLBSA-N 0 3 356.810 1.353 20 5 FDBDHN CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000564370648 546895073 /nfs/dbraw/zinc/89/50/73/546895073.db2.gz PBHALWMRASTCKT-MRXNPFEDSA-N 0 3 362.430 1.465 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000565887546 547520797 /nfs/dbraw/zinc/52/07/97/547520797.db2.gz UVQCIAWEOGTJBH-KGLIPLIRSA-N 0 3 371.459 1.067 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566179087 547643567 /nfs/dbraw/zinc/64/35/67/547643567.db2.gz NYYLVKHYGFDRMX-IIDMSEBBSA-N 0 3 363.414 1.622 20 5 FDBDHN CNc1nccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000566466098 547771497 /nfs/dbraw/zinc/77/14/97/547771497.db2.gz YYSUYDILAVBQQN-LJQANCHMSA-N 0 3 369.425 2.426 20 5 FDBDHN CCNC(=O)C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000566615894 547827746 /nfs/dbraw/zinc/82/77/46/547827746.db2.gz VMXIROVDVVZUKY-UHFFFAOYSA-N 0 3 369.443 1.265 20 5 FDBDHN CC(C)(C)N1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567042639 547974335 /nfs/dbraw/zinc/97/43/35/547974335.db2.gz PBNCAYJZAMXAPV-OCCSQVGLSA-N 0 3 351.403 1.324 20 5 FDBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1C1CCCCC1 ZINC000567263086 548055667 /nfs/dbraw/zinc/05/56/67/548055667.db2.gz QFUJJJLCSGVLIY-JKSUJKDBSA-N 0 3 365.434 1.066 20 5 FDBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000567448029 548119691 /nfs/dbraw/zinc/11/96/91/548119691.db2.gz SOOMSDRAAKKQDW-CYBMUJFWSA-N 0 3 362.430 1.379 20 5 FDBDHN Cc1ccc(C[C@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570720529 549388447 /nfs/dbraw/zinc/38/84/47/549388447.db2.gz HCVVSUUCPJLQIB-IAGOWNOFSA-N 0 3 360.410 1.836 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000570864262 549440647 /nfs/dbraw/zinc/44/06/47/549440647.db2.gz PPXIEJBYJSQGCH-UHFFFAOYSA-N 0 3 361.402 2.137 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000571158486 549546116 /nfs/dbraw/zinc/54/61/16/549546116.db2.gz KCXURAURLOKVTQ-CZUORRHYSA-N 0 3 370.427 1.296 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCNc2ccccn2)cc1 ZINC000574392671 550306884 /nfs/dbraw/zinc/30/68/84/550306884.db2.gz AFPAVHYETVVNOF-UHFFFAOYSA-N 0 3 364.427 1.855 20 5 FDBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CCN2C1=O ZINC000574652247 550348826 /nfs/dbraw/zinc/34/88/26/550348826.db2.gz VSEBLGHAGGHTAW-KBPBESRZSA-N 0 3 353.382 1.405 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000576138975 550514923 /nfs/dbraw/zinc/51/49/23/550514923.db2.gz RGSRPMBTANEXAP-UHFFFAOYSA-N 0 3 362.430 1.328 20 5 FDBDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576937113 550601587 /nfs/dbraw/zinc/60/15/87/550601587.db2.gz XALGUCGURDZSSH-LYRGGWFBSA-N 0 3 352.366 1.657 20 5 FDBDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576937117 550601797 /nfs/dbraw/zinc/60/17/97/550601797.db2.gz XALGUCGURDZSSH-UVBJJODRSA-N 0 3 352.366 1.657 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000581593954 551108728 /nfs/dbraw/zinc/10/87/28/551108728.db2.gz IQOHSZIBWPFFGT-AWEZNQCLSA-N 0 3 360.414 1.032 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2OC(F)(F)F)c1 ZINC000581922743 551150092 /nfs/dbraw/zinc/15/00/92/551150092.db2.gz WIFGGZGFPGTHFL-LBPRGKRZSA-N 0 3 360.292 1.841 20 5 FDBDHN CCN1CCN(CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000582094306 551174825 /nfs/dbraw/zinc/17/48/25/551174825.db2.gz FHCIHXHEEBKLLX-UHFFFAOYSA-N 0 3 373.457 1.762 20 5 FDBDHN C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(Cc2ccccc2)C1 ZINC000582908689 551280176 /nfs/dbraw/zinc/28/01/76/551280176.db2.gz YVAKDDBEFDTQFR-IBGZPJMESA-N 0 3 370.409 1.537 20 5 FDBDHN O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000585718606 551587323 /nfs/dbraw/zinc/58/73/23/551587323.db2.gz OFILRFBDGXMFCY-HNNXBMFYSA-N 0 3 362.430 1.720 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860580 551694057 /nfs/dbraw/zinc/69/40/57/551694057.db2.gz IUKYCCZOIISPCT-QWHCGFSZSA-N 0 3 372.381 1.130 20 5 FDBDHN COC(=O)C1CCN(CCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589112254 551710425 /nfs/dbraw/zinc/71/04/25/551710425.db2.gz IGQAQNURMBTYDQ-UHFFFAOYSA-N 0 3 356.810 1.752 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC3(CCN(C)C3=O)CC2)c1 ZINC000589515194 551734624 /nfs/dbraw/zinc/73/46/24/551734624.db2.gz XLJHDPRQKIDOAB-UHFFFAOYSA-N 0 3 361.398 1.826 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000590563780 551792711 /nfs/dbraw/zinc/79/27/11/551792711.db2.gz TYXAEXXBQZMBKQ-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590589853 551795936 /nfs/dbraw/zinc/79/59/36/551795936.db2.gz RFBIWFUWRAZPHW-GHMZBOCLSA-N 0 3 371.415 1.079 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592488486 552000869 /nfs/dbraw/zinc/00/08/69/552000869.db2.gz KHRNLAAJRHLVGR-ZDUSSCGKSA-N 0 3 370.793 1.024 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593182114 552070795 /nfs/dbraw/zinc/07/07/95/552070795.db2.gz XBPVVFMHEOWZGQ-UHFFFAOYSA-N 0 3 363.418 1.449 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593464943 552113050 /nfs/dbraw/zinc/11/30/50/552113050.db2.gz LLJFIMDMECCBKE-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593495758 552117452 /nfs/dbraw/zinc/11/74/52/552117452.db2.gz IGEJTTVAEMUNFH-CVEARBPZSA-N 0 3 357.414 1.808 20 5 FDBDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594034366 552241674 /nfs/dbraw/zinc/24/16/74/552241674.db2.gz CIJPRKNBNVMVGV-GFCCVEGCSA-N 0 3 370.312 1.606 20 5 FDBDHN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594202845 552264375 /nfs/dbraw/zinc/26/43/75/552264375.db2.gz SUDHQCVPAKIUOX-KGLIPLIRSA-N 0 3 374.397 1.636 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594246170 552270218 /nfs/dbraw/zinc/27/02/18/552270218.db2.gz NDXQFXPPWKAPDB-GXTWGEPZSA-N 0 3 355.398 2.137 20 5 FDBDHN COC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000594711476 552361304 /nfs/dbraw/zinc/36/13/04/552361304.db2.gz OWKSIEKDCUUUQH-SJORKVTESA-N 0 3 363.414 1.731 20 5 FDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594753157 552371145 /nfs/dbraw/zinc/37/11/45/552371145.db2.gz HDICAQQMFFVADG-GFCCVEGCSA-N 0 3 364.427 1.858 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000594756565 552372234 /nfs/dbraw/zinc/37/22/34/552372234.db2.gz BBFFJFXDMZMNCE-CYBMUJFWSA-N 0 3 354.432 1.486 20 5 FDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(OCCO)CCOC2)c1 ZINC000594974254 552429244 /nfs/dbraw/zinc/42/92/44/552429244.db2.gz JQYOQDDKXKTCMQ-OAHLLOKOSA-N 0 3 362.329 1.454 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2COC3(CCC3)C2)cc1 ZINC000595008652 552436734 /nfs/dbraw/zinc/43/67/34/552436734.db2.gz QKEIEXVONHZTGM-GFCCVEGCSA-N 0 3 355.416 1.174 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595088359 552448388 /nfs/dbraw/zinc/44/83/88/552448388.db2.gz BDPCULNNIYYGSD-LBPRGKRZSA-N 0 3 364.402 1.531 20 5 FDBDHN COC[C@@H](CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)OC ZINC000595431722 552558802 /nfs/dbraw/zinc/55/88/02/552558802.db2.gz GNKJJOATQFMOKT-CQSZACIVSA-N 0 3 363.418 1.645 20 5 FDBDHN Cc1noc(CN2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595432057 552558868 /nfs/dbraw/zinc/55/88/68/552558868.db2.gz KJNRPCFLXWSSOZ-UHFFFAOYSA-N 0 3 351.451 1.741 20 5 FDBDHN O=C1CC[C@H](N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000595526137 552578725 /nfs/dbraw/zinc/57/87/25/552578725.db2.gz KGFIQGPCGYFYQM-HNNXBMFYSA-N 0 3 350.394 1.520 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595631148 552595375 /nfs/dbraw/zinc/59/53/75/552595375.db2.gz GBPFCWRFCYZCCE-UNEWFSDZSA-N 0 3 365.430 1.997 20 5 FDBDHN COc1ccc(OCCN2CC[C@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000595834405 552621776 /nfs/dbraw/zinc/62/17/76/552621776.db2.gz ZJMWGGULMROGLU-AWEZNQCLSA-N 0 3 363.414 1.927 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000595902294 552630850 /nfs/dbraw/zinc/63/08/50/552630850.db2.gz DOPBBRWUJMECGA-QWHCGFSZSA-N 0 3 365.386 1.863 20 5 FDBDHN O=C(c1cccc2c1CCNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595926664 552634239 /nfs/dbraw/zinc/63/42/39/552634239.db2.gz KOWIZEPWMUTHLG-UHFFFAOYSA-N 0 3 367.409 1.598 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000596068985 552652144 /nfs/dbraw/zinc/65/21/44/552652144.db2.gz CNAZXIMOQPOKOT-JKSUJKDBSA-N 0 3 361.402 1.041 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596489890 552683461 /nfs/dbraw/zinc/68/34/61/552683461.db2.gz XIVUIPHSSPSQDA-GFCCVEGCSA-N 0 3 356.448 1.775 20 5 FDBDHN CCCN1CC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000596516830 552685444 /nfs/dbraw/zinc/68/54/44/552685444.db2.gz HWLXUVXLLUPAJB-GFCCVEGCSA-N 0 3 356.448 1.741 20 5 FDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000597193197 552759225 /nfs/dbraw/zinc/75/92/25/552759225.db2.gz VORYULCVIHHMPN-PWXKEOIMSA-N 0 3 368.455 1.708 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000597653779 552818139 /nfs/dbraw/zinc/81/81/39/552818139.db2.gz LYSORLPAYIWOET-OAHLLOKOSA-N 0 3 372.425 1.859 20 5 FDBDHN COc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000597693885 552822954 /nfs/dbraw/zinc/82/29/54/552822954.db2.gz GKLSHNBJEUQCMG-UHFFFAOYSA-N 0 3 366.393 1.062 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597696671 552823300 /nfs/dbraw/zinc/82/33/00/552823300.db2.gz WUBXSSJRDONFNA-OCCSQVGLSA-N 0 3 363.370 1.259 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000597714821 552825605 /nfs/dbraw/zinc/82/56/05/552825605.db2.gz JVELGHLRZSCQMU-SFHVURJKSA-N 0 3 361.398 1.939 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597922919 552846143 /nfs/dbraw/zinc/84/61/43/552846143.db2.gz GWTSKQQYGKYJHW-OCCSQVGLSA-N 0 3 362.430 1.702 20 5 FDBDHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000597991246 552853588 /nfs/dbraw/zinc/85/35/88/552853588.db2.gz PPGNGSZKMSPXPT-MRXNPFEDSA-N 0 3 356.382 1.486 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598341432 552887024 /nfs/dbraw/zinc/88/70/24/552887024.db2.gz BKAWZAFTIFRLMM-CHWSQXEVSA-N 0 3 352.439 1.428 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)n1 ZINC000598535337 552906748 /nfs/dbraw/zinc/90/67/48/552906748.db2.gz BTDFIBXGQIJNIH-CYBMUJFWSA-N 0 3 365.434 1.527 20 5 FDBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000598591136 552912443 /nfs/dbraw/zinc/91/24/43/552912443.db2.gz UFSSLYUNCVVZGQ-UONOGXRCSA-N 0 3 364.450 1.754 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598597936 552913339 /nfs/dbraw/zinc/91/33/39/552913339.db2.gz XSWMYEAOMHXKGT-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000598628207 552918064 /nfs/dbraw/zinc/91/80/64/552918064.db2.gz LQIWZELLWSLRMC-ZDUSSCGKSA-N 0 3 362.434 1.142 20 5 FDBDHN C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000598628206 552918077 /nfs/dbraw/zinc/91/80/77/552918077.db2.gz LQIWZELLWSLRMC-CYBMUJFWSA-N 0 3 362.434 1.142 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893964 552940344 /nfs/dbraw/zinc/94/03/44/552940344.db2.gz HTFNYQYPVITBFG-CYBMUJFWSA-N 0 3 363.418 1.707 20 5 FDBDHN O=C(NCC(=O)N1CC[C@@H](N2CCCC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598897013 552940712 /nfs/dbraw/zinc/94/07/12/552940712.db2.gz WBGTYBWZRATIMS-OAHLLOKOSA-N 0 3 361.402 1.413 20 5 FDBDHN CN1C2(CCC2)COC[C@@]1(CO)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990333 552954738 /nfs/dbraw/zinc/95/47/38/552954738.db2.gz KZAFMGGDYLUAGA-QTWIXLPOSA-N 0 3 361.442 1.813 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599563731 553088011 /nfs/dbraw/zinc/08/80/11/553088011.db2.gz CTQOXVOUYUJSTG-QGZVFWFLSA-N 0 3 365.386 1.496 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007417 553198118 /nfs/dbraw/zinc/19/81/18/553198118.db2.gz PWGQMSNSBYSWJE-UHFFFAOYSA-N 0 3 365.434 1.768 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007417 553198120 /nfs/dbraw/zinc/19/81/20/553198120.db2.gz PWGQMSNSBYSWJE-UHFFFAOYSA-N 0 3 365.434 1.768 20 5 FDBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600006709 553198300 /nfs/dbraw/zinc/19/83/00/553198300.db2.gz CTSSMQJUYHWISY-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007592 553198633 /nfs/dbraw/zinc/19/86/33/553198633.db2.gz FLPGGLGTPDCZJH-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CCN1 ZINC000600119834 553221241 /nfs/dbraw/zinc/22/12/41/553221241.db2.gz VHIYUHJGRHDZLJ-HNNXBMFYSA-N 0 3 361.377 1.990 20 5 FDBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755433 553312024 /nfs/dbraw/zinc/31/20/24/553312024.db2.gz KCTSBOHHPWABSX-RDTXWAMCSA-N 0 3 371.393 1.751 20 5 FDBDHN CN(C)CCCS(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601359886 553385070 /nfs/dbraw/zinc/38/50/70/553385070.db2.gz OLUJPPOQGPHVAE-UHFFFAOYSA-N 0 3 371.459 1.720 20 5 FDBDHN CN1CCN(CC2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)CC1 ZINC000601599216 553443166 /nfs/dbraw/zinc/44/31/66/553443166.db2.gz YDVLUVBJEXPWAZ-UHFFFAOYSA-N 0 3 372.469 1.722 20 5 FDBDHN O=C1[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C1CCC1 ZINC000602731306 553628343 /nfs/dbraw/zinc/62/83/43/553628343.db2.gz VNXZWAZPCUJFQP-INIZCTEOSA-N 0 3 359.430 1.702 20 5 FDBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000602752403 553632147 /nfs/dbraw/zinc/63/21/47/553632147.db2.gz OUXWUMCXTNOVTH-MRXNPFEDSA-N 0 3 363.414 1.673 20 5 FDBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873479 553656478 /nfs/dbraw/zinc/65/64/78/553656478.db2.gz JHCCUDMLRCSFIQ-RDJZCZTQSA-N 0 3 351.447 1.997 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCN1CCOCC1)[C@H]1CCSC1 ZINC000602888659 553660766 /nfs/dbraw/zinc/66/07/66/553660766.db2.gz AIGSXSPXFCFDIV-HNNXBMFYSA-N 0 3 369.491 1.239 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CCN(C)CC2 ZINC000603385583 553776707 /nfs/dbraw/zinc/77/67/07/553776707.db2.gz ULKBDRZCEDGENZ-UHFFFAOYSA-N 0 3 369.443 1.710 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCCN2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000603403298 553780943 /nfs/dbraw/zinc/78/09/43/553780943.db2.gz NKLWJIVNQJBKLN-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604105173 553842466 /nfs/dbraw/zinc/84/24/66/553842466.db2.gz CADWVRURDWSGMQ-UHFFFAOYSA-N 0 3 371.441 1.990 20 5 FDBDHN CN1CCC[C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000604198940 553853540 /nfs/dbraw/zinc/85/35/40/553853540.db2.gz MMYSJCAFLRIAOK-GFCCVEGCSA-N 0 3 362.386 1.493 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000609515258 554386461 /nfs/dbraw/zinc/38/64/61/554386461.db2.gz UMGDLRPDLHFWMI-MNOVXSKESA-N 0 3 354.432 1.327 20 5 FDBDHN C[C@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609574724 554395859 /nfs/dbraw/zinc/39/58/59/554395859.db2.gz FPWCQMFDYRRBJA-KBPBESRZSA-N 0 3 370.413 1.970 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000609664954 554408974 /nfs/dbraw/zinc/40/89/74/554408974.db2.gz PJGMYEPOKWUOMJ-HNNXBMFYSA-N 0 3 350.394 1.586 20 5 FDBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000610632761 554542539 /nfs/dbraw/zinc/54/25/39/554542539.db2.gz LNGNBCIQUVUBKN-UHFFFAOYSA-N 0 3 362.415 1.690 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000611836178 554688624 /nfs/dbraw/zinc/68/86/24/554688624.db2.gz JCQPEXJJAXAOCY-OAHLLOKOSA-N 0 3 360.414 1.234 20 5 FDBDHN C[C@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617731435 555497778 /nfs/dbraw/zinc/49/77/78/555497778.db2.gz ATXCOUYZSDXYKQ-MAUKXSAKSA-N 0 3 360.458 1.937 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000619473904 555783157 /nfs/dbraw/zinc/78/31/57/555783157.db2.gz BDAUAXKNZLHFTK-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823647145 599059487 /nfs/dbraw/zinc/05/94/87/599059487.db2.gz GXGALTQFBSZVSD-GFCCVEGCSA-N 0 3 358.406 1.482 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823647145 599059490 /nfs/dbraw/zinc/05/94/90/599059490.db2.gz GXGALTQFBSZVSD-GFCCVEGCSA-N 0 3 358.406 1.482 20 5 FDBDHN CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736532800 598498785 /nfs/dbraw/zinc/49/87/85/598498785.db2.gz CSQCMAPIQKVULC-UHFFFAOYSA-N 0 3 360.422 1.728 20 5 FDBDHN CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736532800 598498787 /nfs/dbraw/zinc/49/87/87/598498787.db2.gz CSQCMAPIQKVULC-UHFFFAOYSA-N 0 3 360.422 1.728 20 5 FDBDHN C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000820770251 606803875 /nfs/dbraw/zinc/80/38/75/606803875.db2.gz ZXPYLKMUZMDSKA-MEBBXXQBSA-N 0 3 368.401 1.709 20 5 FDBDHN C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000820770251 606803877 /nfs/dbraw/zinc/80/38/77/606803877.db2.gz ZXPYLKMUZMDSKA-MEBBXXQBSA-N 0 3 368.401 1.709 20 5 FDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276196259 674720776 /nfs/dbraw/zinc/72/07/76/674720776.db2.gz ITMKYLBREMSHQD-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN NS(=O)(=O)c1cccc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277505350 674956890 /nfs/dbraw/zinc/95/68/90/674956890.db2.gz SZQAZOOLLFVNTI-LBPRGKRZSA-N 0 3 354.432 1.671 20 5 FDBDHN COc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193959932 672376485 /nfs/dbraw/zinc/37/64/85/672376485.db2.gz LKJWTSPHKNYBGM-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN C[C@H]1NCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000262704150 672832501 /nfs/dbraw/zinc/83/25/01/672832501.db2.gz BGJRFCXSJUVVQA-NXEZZACHSA-N 0 3 354.794 1.187 20 5 FDBDHN COc1cc(CCNC(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000267055400 673241647 /nfs/dbraw/zinc/24/16/47/673241647.db2.gz GKSIBKDAWQQZKT-UHFFFAOYSA-N 0 3 354.407 1.358 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(CC)CC2)c1 ZINC000284135376 675672872 /nfs/dbraw/zinc/67/28/72/675672872.db2.gz VSFFAHXOFMVRCR-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CCC[C@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 ZINC000285597294 675835756 /nfs/dbraw/zinc/83/57/56/675835756.db2.gz PKEBXPIFCLXRDV-INIZCTEOSA-N 0 3 351.359 1.811 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000298498477 676469569 /nfs/dbraw/zinc/46/95/69/676469569.db2.gz NABCABHRPAJBBD-UHFFFAOYSA-N 0 3 355.416 1.661 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000316612474 676555253 /nfs/dbraw/zinc/55/52/53/676555253.db2.gz KJNCYWVVYLIUFK-GFCCVEGCSA-N 0 3 373.182 1.844 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364324860 677007986 /nfs/dbraw/zinc/00/79/86/677007986.db2.gz OFSAXCFRDCCSFW-KBPBESRZSA-N 0 3 371.463 1.100 20 5 FDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374313746 678075944 /nfs/dbraw/zinc/07/59/44/678075944.db2.gz VAFHCODXYODTJF-OLZOCXBDSA-N 0 3 364.475 1.766 20 5 FDBDHN COc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000412042572 679146539 /nfs/dbraw/zinc/14/65/39/679146539.db2.gz ODFCPPOYAAILQX-CYBMUJFWSA-N 0 3 354.794 1.946 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCNCC1 ZINC000420403580 680440568 /nfs/dbraw/zinc/44/05/68/680440568.db2.gz LMIOFIGROJTRKM-UHFFFAOYSA-N 0 3 353.322 1.598 20 5 FDBDHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440338916 681987681 /nfs/dbraw/zinc/98/76/81/681987681.db2.gz LBQAXNAYRCLAJV-SSDOTTSWSA-N 0 3 352.210 1.373 20 5 FDBDHN COC(=O)COc1ccc(CNCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441355158 682071885 /nfs/dbraw/zinc/07/18/85/682071885.db2.gz YNKGHWLXMWYVTE-DEOSSOPVSA-N 0 3 356.400 1.147 20 5 FDBDHN CS[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000442560529 682158297 /nfs/dbraw/zinc/15/82/97/682158297.db2.gz WZTCFSJIVOYXPK-QWHCGFSZSA-N 0 3 352.416 1.037 20 5 FDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451786752 682939102 /nfs/dbraw/zinc/93/91/02/682939102.db2.gz RJBIQXZXQRJGNV-CABCVRRESA-N 0 3 370.427 1.690 20 5 FDBDHN CSc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452353528 683056918 /nfs/dbraw/zinc/05/69/18/683056918.db2.gz USAZDTHZAZZMQL-CYBMUJFWSA-N 0 3 353.444 1.893 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000458489724 684273979 /nfs/dbraw/zinc/27/39/79/684273979.db2.gz XRWVQXKOSLMHOV-HNNXBMFYSA-N 0 3 350.419 1.283 20 5 FDBDHN O=C(CNC1(CO)CCSCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459695490 684445047 /nfs/dbraw/zinc/44/50/47/684445047.db2.gz KTRNSKIZEGZLOA-UHFFFAOYSA-N 0 3 351.428 1.332 20 5 FDBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000460906402 684549868 /nfs/dbraw/zinc/54/98/68/684549868.db2.gz CWDLSRNMKIMVJG-UHFFFAOYSA-N 0 3 361.468 1.554 20 5 FDBDHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000472631219 685228508 /nfs/dbraw/zinc/22/85/08/685228508.db2.gz MNSVKNLPSOOJNA-HNNXBMFYSA-N 0 3 370.406 1.226 20 5 FDBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000479781480 686053111 /nfs/dbraw/zinc/05/31/11/686053111.db2.gz ZYRAIRUZVMCQAT-LJGSYFOKSA-N 0 3 350.194 1.125 20 5 FDBDHN CCN1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486245270 686855938 /nfs/dbraw/zinc/85/59/38/686855938.db2.gz QPQHRUDYILDGPO-UHFFFAOYSA-N 0 3 356.373 1.169 20 5 FDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489481052 687100827 /nfs/dbraw/zinc/10/08/27/687100827.db2.gz ZTPFKEYQQROJED-QRTARXTBSA-N 0 3 354.403 1.460 20 5 FDBDHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000510089321 689345553 /nfs/dbraw/zinc/34/55/53/689345553.db2.gz VXJPMPORLUTADQ-JTQLQIEISA-N 0 3 365.419 1.262 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514227513 689731790 /nfs/dbraw/zinc/73/17/90/689731790.db2.gz QRDZXAMOHLBBNX-UHFFFAOYSA-N 0 3 361.345 1.846 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCCC1 ZINC000522848901 694500377 /nfs/dbraw/zinc/50/03/77/694500377.db2.gz XFXONIYHSXRKCX-CYBMUJFWSA-N 0 3 352.439 1.429 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nnc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064261 777710702 /nfs/dbraw/zinc/71/07/02/777710702.db2.gz BWVCXSGEGMCWPB-XJFOESAGSA-N 0 3 357.370 1.139 20 5 FDBDHN C[C@@H](CO)N1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000364894608 785230156 /nfs/dbraw/zinc/23/01/56/785230156.db2.gz KUOWMGCHROIEQN-WMLDXEAASA-N 0 3 362.430 1.089 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000376301228 787193705 /nfs/dbraw/zinc/19/37/05/787193705.db2.gz GWBSNXZPXIPGDV-UHFFFAOYSA-N 0 3 370.413 1.404 20 5 FDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571663 787518910 /nfs/dbraw/zinc/51/89/10/787518910.db2.gz VFQYMFQLQROZQJ-RYUDHWBXSA-N 0 3 366.393 1.909 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000365765761 793772072 /nfs/dbraw/zinc/77/20/72/793772072.db2.gz RDOFXBYWRCYBDX-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000365765761 793772079 /nfs/dbraw/zinc/77/20/79/793772079.db2.gz RDOFXBYWRCYBDX-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN COc1cc(C(=O)Nc2cnc3c(c2)CNCC3)c([N+](=O)[O-])cc1OC ZINC000378394723 794075645 /nfs/dbraw/zinc/07/56/45/794075645.db2.gz KMRLHCMLXWGTPL-UHFFFAOYSA-N 0 3 358.354 1.905 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC000828252418 794433664 /nfs/dbraw/zinc/43/36/64/794433664.db2.gz UOGHXUDIYZJMSQ-UHFFFAOYSA-N 0 3 361.445 1.142 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724727 815215388 /nfs/dbraw/zinc/21/53/88/815215388.db2.gz NCBFIDFNKHSYEW-PPHDSNJXSA-N 0 3 359.386 1.942 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000423993828 815282155 /nfs/dbraw/zinc/28/21/55/815282155.db2.gz RJASIKTYAKCTBL-INIZCTEOSA-N 0 3 370.409 1.925 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC000501778760 813661003 /nfs/dbraw/zinc/66/10/03/813661003.db2.gz VQIVDRKVJDOERO-MDZRGWNJSA-N 0 3 373.457 1.747 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519687415 819012399 /nfs/dbraw/zinc/01/23/99/819012399.db2.gz MOTORZXPYHVVSF-UHFFFAOYSA-N 0 3 362.390 1.553 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000521704491 821337811 /nfs/dbraw/zinc/33/78/11/821337811.db2.gz IYWYYECXRRQCKI-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000895564243 822653441 /nfs/dbraw/zinc/65/34/41/822653441.db2.gz CCCOXXVUOXBPET-UHFFFAOYSA-N 0 3 351.403 1.673 20 5 FDBDHN CC1(C)[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1(=O)=O ZINC000895982290 823889896 /nfs/dbraw/zinc/88/98/96/823889896.db2.gz OCDWCMSAIITQOA-HNNXBMFYSA-N 0 3 353.444 1.729 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220393 827180819 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FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000843797756 840981490 /nfs/dbraw/zinc/98/14/90/840981490.db2.gz KKERZXOOZNIUTG-LBPRGKRZSA-N 0 3 352.410 1.656 20 5 FDBDHN CC(C)Cc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000490496693 861373386 /nfs/dbraw/zinc/37/33/86/861373386.db2.gz VAZSAOMFIBSZIQ-INIZCTEOSA-N 0 3 374.445 1.804 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000478427365 843752554 /nfs/dbraw/zinc/75/25/54/843752554.db2.gz BGRKEEBWJQBDEW-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899737788 846640264 /nfs/dbraw/zinc/64/02/64/846640264.db2.gz OIMXFNPNRKNITL-UHFFFAOYSA-N 0 3 360.208 1.320 20 5 FDBDHN O=C(NCCNCc1ccn(-c2c(F)cccc2F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936690 848626258 /nfs/dbraw/zinc/62/62/58/848626258.db2.gz QQXLDTMJBXBIGF-BXUZGUMPSA-N 0 3 365.340 1.022 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906641367 853088697 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CN(C)CC(C)(C)CNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001168763577 900968539 /nfs/dbraw/zinc/96/85/39/900968539.db2.gz LJKILQCTJBVCKQ-UHFFFAOYSA-N 0 3 365.843 1.441 20 5 FDBDHN CCCc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997772188 909663367 /nfs/dbraw/zinc/66/33/67/909663367.db2.gz LYGFNPUTMDGNRF-CHWSQXEVSA-N 0 3 351.407 1.016 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2nc(C(F)F)no2)CC1 ZINC000997772642 909664894 /nfs/dbraw/zinc/66/48/94/909664894.db2.gz PPQWBTNWEADQJP-NXEZZACHSA-N 0 3 359.333 1.001 20 5 FDBDHN CCN1CCCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 ZINC000732095331 919001034 /nfs/dbraw/zinc/00/10/34/919001034.db2.gz DUVGASCEJZBJPI-UHFFFAOYSA-N 0 3 365.386 1.349 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000770176154 929886719 /nfs/dbraw/zinc/88/67/19/929886719.db2.gz ZNLJNJRPJVRAOF-AWEZNQCLSA-N 0 3 374.445 1.087 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510049 930708911 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20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[N+](=O)[O-] ZINC000813101739 941325624 /nfs/dbraw/zinc/32/56/24/941325624.db2.gz IDLJTGKYRBYLSS-GJZGRUSLSA-N 0 3 364.398 1.903 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813104695 941326529 /nfs/dbraw/zinc/32/65/29/941326529.db2.gz PYYXIFKIAKFJMP-CHWSQXEVSA-N 0 3 356.400 1.296 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813105699 941328670 /nfs/dbraw/zinc/32/86/70/941328670.db2.gz SABUVMRBYZSVMN-GXFFZTMASA-N 0 3 366.395 1.613 20 5 FDBDHN CC(COC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109273 941334557 /nfs/dbraw/zinc/33/45/57/941334557.db2.gz QTHMSOVOPDERPT-NSHDSACASA-N 0 3 369.399 1.056 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813110259 941335287 /nfs/dbraw/zinc/33/52/87/941335287.db2.gz WAPCCDVGGLTEEU-NWDGAFQWSA-N 0 3 370.789 1.776 20 5 FDBDHN CC(COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813112655 941335693 /nfs/dbraw/zinc/33/56/93/941335693.db2.gz SJMINCGHEWVPBD-SECBINFHSA-N 0 3 350.780 1.169 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)[N+](=O)[O-] ZINC000813115352 941336660 /nfs/dbraw/zinc/33/66/60/941336660.db2.gz PWBBJUQKQZLYRN-NSHDSACASA-N 0 3 369.333 1.913 20 5 FDBDHN C[C@@H]1[C@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000816469667 942206081 /nfs/dbraw/zinc/20/60/81/942206081.db2.gz BGDKPZCFZZNRFG-UKRRQHHQSA-N 0 3 359.386 1.783 20 5 FDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1NCCc2ccccc21 ZINC000818589645 943299297 /nfs/dbraw/zinc/29/92/97/943299297.db2.gz FJECFEPQEUXWCK-KRWDZBQOSA-N 0 3 365.393 1.948 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000819152257 943442835 /nfs/dbraw/zinc/44/28/35/943442835.db2.gz POTFOFXIQGRFKR-INIZCTEOSA-N 0 3 362.407 1.748 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000819152791 943443073 /nfs/dbraw/zinc/44/30/73/943443073.db2.gz ZRIDCGFMRZWKPJ-MRXNPFEDSA-N 0 3 362.407 1.748 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1Cl ZINC000844037144 947640165 /nfs/dbraw/zinc/64/01/65/947640165.db2.gz JWSBRMNAFAIYIC-NSHDSACASA-N 0 3 368.821 1.749 20 5 FDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001173225161 961969572 /nfs/dbraw/zinc/96/95/72/961969572.db2.gz MOUIENPUTGKJAW-QGTPRVQTSA-N 0 3 369.425 1.905 20 5 FDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000774536192 962427561 /nfs/dbraw/zinc/42/75/61/962427561.db2.gz KAZSTXUOXWNJIH-CHWSQXEVSA-N 0 3 370.431 1.786 20 5 FDBDHN CNC(=O)CCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593657 967279565 /nfs/dbraw/zinc/27/95/65/967279565.db2.gz YYIUWPOYAIVHHO-MRXNPFEDSA-N 0 3 351.403 1.245 20 5 FDBDHN O=C(CN[C@@H]1C[C@H](O)C12CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852584827 967446194 /nfs/dbraw/zinc/44/61/94/967446194.db2.gz RUURGJDBVZEZSK-SJORKVTESA-N 0 3 374.441 1.137 20 5 FDBDHN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCN(C3CC3)CC2)C1=O ZINC000863499750 972962265 /nfs/dbraw/zinc/96/22/65/972962265.db2.gz HJPLYKOVSRCQBZ-SFHVURJKSA-N 0 3 358.398 1.989 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000865060351 974048248 /nfs/dbraw/zinc/04/82/48/974048248.db2.gz QDDUAYPUAVQVCF-IRXDYDNUSA-N 0 3 359.426 1.996 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865450437 974305632 /nfs/dbraw/zinc/30/56/32/974305632.db2.gz MQLHTJFPLAUEIM-ZDUSSCGKSA-N 0 3 354.426 1.912 20 5 FDBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCN(CC2CC2)CC1 ZINC000848475162 976801583 /nfs/dbraw/zinc/80/15/83/976801583.db2.gz NJWMUOAVEJFYKX-SFHVURJKSA-N 0 3 358.442 1.896 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000849503246 977697813 /nfs/dbraw/zinc/69/78/13/977697813.db2.gz WRYJHOJURWAXFE-HOTGVXAUSA-N 0 3 357.414 1.680 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850682045 978603944 /nfs/dbraw/zinc/60/39/44/978603944.db2.gz LZHWMVLJDAFOIK-LLVKDONJSA-N 0 3 354.794 1.787 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767852 981662986 /nfs/dbraw/zinc/66/29/86/981662986.db2.gz FTSXLPCFYZKEBO-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000860854711 983539319 /nfs/dbraw/zinc/53/93/19/983539319.db2.gz HAPAHLHPEDHHFI-GJQVQUKXSA-N 0 3 355.318 1.796 20 5 FDBDHN CN(C)S(=O)(=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000886736972 986520015 /nfs/dbraw/zinc/52/00/15/986520015.db2.gz OPNMDHNNZGQGPH-OAHLLOKOSA-N 0 3 353.444 1.986 20 5 FDBDHN COC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886916748 986737010 /nfs/dbraw/zinc/73/70/10/986737010.db2.gz ZMJQSGOPWPRYDG-HIFRSBDPSA-N 0 3 352.387 1.913 20 5 FDBDHN CCCN1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000361463642 988389141 /nfs/dbraw/zinc/38/91/41/988389141.db2.gz PYQNQLWISVQPLA-UHFFFAOYSA-N 0 3 358.402 1.733 20 5 FDBDHN CC1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000294520805 988446692 /nfs/dbraw/zinc/44/66/92/988446692.db2.gz LBIMSJBEGDOUKK-UHFFFAOYSA-N 0 3 374.441 1.611 20 5 FDBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363206754 988993223 /nfs/dbraw/zinc/99/32/23/988993223.db2.gz PSJGIDYIWNBAPG-AAEUAGOBSA-N 0 3 364.358 1.404 20 5 FDBDHN CCOC(=O)Cc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000825703016 989370338 /nfs/dbraw/zinc/37/03/38/989370338.db2.gz YBMWEHLPCLOAJO-UHFFFAOYSA-N 0 3 351.403 1.205 20 5 FDBDHN C[C@@H](NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1=CCN(C)CC1 ZINC000364370062 989551251 /nfs/dbraw/zinc/55/12/51/989551251.db2.gz QDXVZLRGMXGWLW-HIFRSBDPSA-N 0 3 362.434 1.788 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000365508155 990256791 /nfs/dbraw/zinc/25/67/91/990256791.db2.gz OEFGRVXTXFHPRB-KRWDZBQOSA-N 0 3 360.458 1.623 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000874833608 990557739 /nfs/dbraw/zinc/55/77/39/990557739.db2.gz MJQYXEUZUQTJQO-HZPDHXFCSA-N 0 3 374.441 1.740 20 5 FDBDHN O=C1COc2cc([N+](=O)[O-])c(NC3CCN([C@@H]4CCOC4)CC3)cc2N1 ZINC000372854443 991601713 /nfs/dbraw/zinc/60/17/13/991601713.db2.gz HDIPYYUZKXEGTO-GFCCVEGCSA-N 0 3 362.386 1.591 20 5 FDBDHN Cn1cc[nH+]c1N1CCC(NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000373034308 991815367 /nfs/dbraw/zinc/81/53/67/991815367.db2.gz IFLHEQMSBHPANY-UHFFFAOYSA-N 0 3 369.385 1.603 20 5 FDBDHN CN(C)C[C@@H]1NC(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O ZINC000924859724 995068484 /nfs/dbraw/zinc/06/84/84/995068484.db2.gz WLYLPDUKRSBFIN-NSHDSACASA-N 0 3 360.292 1.596 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000926152010 995941968 /nfs/dbraw/zinc/94/19/68/995941968.db2.gz ZDHNIMYVMAAGJN-DLBZAZTESA-N 0 3 367.471 1.975 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000266677851 999213266 /nfs/dbraw/zinc/21/32/66/999213266.db2.gz RGTAGTWJRLPIMF-HNNXBMFYSA-N 0 3 368.397 1.818 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000267459284 999341933 /nfs/dbraw/zinc/34/19/33/999341933.db2.gz QVTXUHWOWYNERN-UHFFFAOYSA-N 0 3 358.398 1.810 20 5 FDBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778230581 1005710921 /nfs/dbraw/zinc/71/09/21/1005710921.db2.gz CMMZJRLIRQNNBK-YPMHNXCESA-N 0 3 361.320 1.629 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934261877 1005724244 /nfs/dbraw/zinc/72/42/44/1005724244.db2.gz SKTKHAPWBSABMG-XYPHTWIQSA-N 0 3 362.430 1.453 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000507494773 538917925 /nfs/dbraw/zinc/91/79/25/538917925.db2.gz KQKNWZGAOTXQLI-QWHCGFSZSA-N 0 3 357.432 1.278 20 5 FDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193782489 178180390 /nfs/dbraw/zinc/18/03/90/178180390.db2.gz BGORHZTYYOYOJB-HNNXBMFYSA-N 0 3 357.414 1.889 20 5 FDBDHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000512324228 538972048 /nfs/dbraw/zinc/97/20/48/538972048.db2.gz QSHVBEGLUMRLCQ-UHFFFAOYSA-N 0 3 372.385 1.396 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516912886 539328122 /nfs/dbraw/zinc/32/81/22/539328122.db2.gz ORJNDSOUORPZLP-UHFFFAOYSA-N 0 3 374.441 1.280 20 5 FDBDHN CCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000265352812 179348869 /nfs/dbraw/zinc/34/88/69/179348869.db2.gz BPJNJGNNWNNVEI-UHFFFAOYSA-N 0 3 374.344 1.593 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCN1CCC(O)CC1 ZINC000265419277 179371883 /nfs/dbraw/zinc/37/18/83/179371883.db2.gz CLCHLFPIDKDDEL-UHFFFAOYSA-N 0 3 360.414 1.513 20 5 FDBDHN CC(C)(C)[C@H](CO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265427319 179374344 /nfs/dbraw/zinc/37/43/44/179374344.db2.gz LMKAZDHERNZEEZ-INIZCTEOSA-N 0 3 364.446 1.240 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268197437 180022132 /nfs/dbraw/zinc/02/21/32/180022132.db2.gz NYFFNTZDOOJEEF-LRDDRELGSA-N 0 3 360.414 1.314 20 5 FDBDHN COc1cc(CCNC(=O)CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000269208098 180243936 /nfs/dbraw/zinc/24/39/36/180243936.db2.gz NJYIJBZOTGYNIX-CYBMUJFWSA-N 0 3 367.402 1.039 20 5 FDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269584442 180335309 /nfs/dbraw/zinc/33/53/09/180335309.db2.gz BXUVRPUVEVJBPC-CYBMUJFWSA-N 0 3 350.419 1.383 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000274091901 181024464 /nfs/dbraw/zinc/02/44/64/181024464.db2.gz UAXLKMTWBKLSNT-WCFLWFBJSA-N 0 3 364.402 1.564 20 5 FDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530811849 540047287 /nfs/dbraw/zinc/04/72/87/540047287.db2.gz FBHRZWQIPQHQGH-LJQANCHMSA-N 0 3 355.394 1.848 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275262231 181274145 /nfs/dbraw/zinc/27/41/45/181274145.db2.gz JWTGFNQAJNCUIW-ZIAGYGMSSA-N 0 3 350.444 1.829 20 5 FDBDHN CCOc1cc(C(=O)NCCNc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000534522880 540376950 /nfs/dbraw/zinc/37/69/50/540376950.db2.gz ZILIJSKBMKJBRJ-UHFFFAOYSA-N 0 3 360.370 1.661 20 5 FDBDHN O=C1CCCN1[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000534862035 540421032 /nfs/dbraw/zinc/42/10/32/540421032.db2.gz FADZQKSTPPCIAX-AWEZNQCLSA-N 0 3 374.397 1.590 20 5 FDBDHN CN(C)CC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000541282284 541180098 /nfs/dbraw/zinc/18/00/98/541180098.db2.gz KQFHCGYMDQKJDM-UHFFFAOYSA-N 0 3 355.460 1.642 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCS1(=O)=O ZINC000542483917 541413870 /nfs/dbraw/zinc/41/38/70/541413870.db2.gz VAAAJKILEPURSL-IUODEOHRSA-N 0 3 369.443 1.869 20 5 FDBDHN COC(=O)[C@]1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282424300 182009217 /nfs/dbraw/zinc/00/92/17/182009217.db2.gz ISHXBQVVFAGOIH-SUYBPPKGSA-N 0 3 352.387 1.466 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000282627518 182034517 /nfs/dbraw/zinc/03/45/17/182034517.db2.gz WKIDGPIAPZQBML-UHFFFAOYSA-N 0 3 366.393 1.781 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1(N2CCSCC2)CCCC1 ZINC000065780299 205361534 /nfs/dbraw/zinc/36/15/34/205361534.db2.gz ICNSOTXTIKSKNM-UHFFFAOYSA-N 0 3 367.475 1.659 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000290327054 183630331 /nfs/dbraw/zinc/63/03/31/183630331.db2.gz LPQSREDLJXSUIW-LLVKDONJSA-N 0 3 352.391 1.387 20 5 FDBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000294679737 184000511 /nfs/dbraw/zinc/00/05/11/184000511.db2.gz BDHAZNMZOCCSIQ-MSOLQXFVSA-N 0 3 371.441 1.900 20 5 FDBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295259261 184051523 /nfs/dbraw/zinc/05/15/23/184051523.db2.gz ADRIFMPAJRRXFA-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCN(CCCO)C1 ZINC000295294066 184055821 /nfs/dbraw/zinc/05/58/21/184055821.db2.gz APHGDXMMUAANSA-HNNXBMFYSA-N 0 3 360.414 1.513 20 5 FDBDHN C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295462537 184073727 /nfs/dbraw/zinc/07/37/27/184073727.db2.gz XPKPGSLTIRXJRY-CYBMUJFWSA-N 0 3 360.414 1.267 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000297288563 184254585 /nfs/dbraw/zinc/25/45/85/184254585.db2.gz HFXBDJKJZDGDEG-HZMBPMFUSA-N 0 3 352.366 1.389 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000297361930 184262519 /nfs/dbraw/zinc/26/25/19/184262519.db2.gz LPHQVCBLFMBMGV-HNNXBMFYSA-N 0 3 350.419 1.283 20 5 FDBDHN C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297593272 184293142 /nfs/dbraw/zinc/29/31/42/184293142.db2.gz MWBUVBYPIKDDBV-ZFWWWQNUSA-N 0 3 350.419 1.802 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000547761578 542439436 /nfs/dbraw/zinc/43/94/36/542439436.db2.gz ZNKVKMAHSQCRAQ-AWEZNQCLSA-N 0 3 359.386 1.205 20 5 FDBDHN CN(CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1)Cc1ccccc1 ZINC000552182151 543432992 /nfs/dbraw/zinc/43/29/92/543432992.db2.gz JNNLIVLVDAYSKM-UHFFFAOYSA-N 0 3 371.441 1.813 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN1CCN(C)CC1 ZINC000074137716 172074313 /nfs/dbraw/zinc/07/43/13/172074313.db2.gz XTFLNDLENHWZJM-AWEZNQCLSA-N 0 3 363.462 1.274 20 5 FDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C(=O)N(C)C)cc1 ZINC000090525755 172265933 /nfs/dbraw/zinc/26/59/33/172265933.db2.gz SVLQKTUQSHSQSU-UHFFFAOYSA-N 0 3 372.425 1.980 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000112917998 172594542 /nfs/dbraw/zinc/59/45/42/172594542.db2.gz HWTQYDQZAJMPPD-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000131490806 173204683 /nfs/dbraw/zinc/20/46/83/173204683.db2.gz FJOCWKVBUDTYMH-IAGOWNOFSA-N 0 3 362.430 1.042 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000131490980 173205546 /nfs/dbraw/zinc/20/55/46/173205546.db2.gz FJOCWKVBUDTYMH-SJORKVTESA-N 0 3 362.430 1.042 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCN1c1cccnn1 ZINC000131800542 173213765 /nfs/dbraw/zinc/21/37/65/173213765.db2.gz WQTKQUZSRMBDRF-AWEZNQCLSA-N 0 3 358.402 1.147 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134118396 173318700 /nfs/dbraw/zinc/31/87/00/173318700.db2.gz CZPUYGKHVFYJNY-NSHDSACASA-N 0 3 368.821 1.987 20 5 FDBDHN CCOC(=O)CNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134538796 173327206 /nfs/dbraw/zinc/32/72/06/173327206.db2.gz QTKSHWAMYHTYIB-UHFFFAOYSA-N 0 3 363.414 1.529 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134923259 173335313 /nfs/dbraw/zinc/33/53/13/173335313.db2.gz ZLXWIZGQUXQQPJ-BBRMVZONSA-N 0 3 357.414 1.879 20 5 FDBDHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000135918909 173354977 /nfs/dbraw/zinc/35/49/77/173354977.db2.gz SVMPWNRHIQNTIK-GFCCVEGCSA-N 0 3 368.459 1.671 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000136144994 173358058 /nfs/dbraw/zinc/35/80/58/173358058.db2.gz IIKQCBCMTKCSQZ-UHFFFAOYSA-N 0 3 352.347 1.080 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150871678 173383675 /nfs/dbraw/zinc/38/36/75/173383675.db2.gz YHFYUFBOHWNYQP-CYBMUJFWSA-N 0 3 359.448 1.538 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CN1C1CC1 ZINC000177193543 174113430 /nfs/dbraw/zinc/11/34/30/174113430.db2.gz VYEADLQLPWIAGX-NEPJUHHUSA-N 0 3 356.386 1.531 20 5 FDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179648430 258355478 /nfs/dbraw/zinc/35/54/78/258355478.db2.gz QGEDMYPMKJQCMS-CYBMUJFWSA-N 0 3 373.413 1.800 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000173713598 258308419 /nfs/dbraw/zinc/30/84/19/258308419.db2.gz OCWVPRVUGBAGPV-HNNXBMFYSA-N 0 3 363.462 1.668 20 5 FDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000178820529 258336055 /nfs/dbraw/zinc/33/60/55/258336055.db2.gz JZGSVYWISQJEGS-LSDHHAIUSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178820507 258336291 /nfs/dbraw/zinc/33/62/91/258336291.db2.gz JZGSVYWISQJEGS-CABCVRRESA-N 0 3 362.430 1.576 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000186260519 258385335 /nfs/dbraw/zinc/38/53/35/258385335.db2.gz ZLGMYLOMIXHPKL-UHFFFAOYSA-N 0 3 361.395 1.507 20 5 FDBDHN COC(=O)c1cc(C)nc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000553509731 543648964 /nfs/dbraw/zinc/64/89/64/543648964.db2.gz GKBMNWWVFBPCKC-NWDGAFQWSA-N 0 3 354.432 1.567 20 5 FDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000555404688 543952657 /nfs/dbraw/zinc/95/26/57/543952657.db2.gz BGIVILQSLZMDRE-QGZVFWFLSA-N 0 3 367.471 1.885 20 5 FDBDHN CN1CCN(Cc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000555982252 544068741 /nfs/dbraw/zinc/06/87/41/544068741.db2.gz CWFUIXASDDAAQT-UHFFFAOYSA-N 0 3 371.397 1.695 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000556851300 544214557 /nfs/dbraw/zinc/21/45/57/544214557.db2.gz VJCBGTNPCFIVCG-SFHVURJKSA-N 0 3 372.381 1.035 20 5 FDBDHN NC(=O)c1ccnc(N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000557542147 544305501 /nfs/dbraw/zinc/30/55/01/544305501.db2.gz CEOBTGVKSZXMJA-UHFFFAOYSA-N 0 3 355.398 1.801 20 5 FDBDHN COc1ccc(CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000557624437 544320458 /nfs/dbraw/zinc/32/04/58/544320458.db2.gz RLLNGXNLIKIJMR-NFAWXSAZSA-N 0 3 353.419 1.163 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294274838 258921763 /nfs/dbraw/zinc/92/17/63/258921763.db2.gz ZJTQHZCYXZICRD-UHFFFAOYSA-N 0 3 374.401 1.112 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301122851 259021638 /nfs/dbraw/zinc/02/16/38/259021638.db2.gz XXJYNXMYIZWCEK-LBPRGKRZSA-N 0 3 354.432 1.307 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000330459041 259145620 /nfs/dbraw/zinc/14/56/20/259145620.db2.gz SVCWJKHAWDQQGW-UHFFFAOYSA-N 0 3 359.452 1.305 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000330821058 259164680 /nfs/dbraw/zinc/16/46/80/259164680.db2.gz OXQONKKUZQJOPU-CHWSQXEVSA-N 0 3 352.439 1.380 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1N1CCCC1 ZINC000332081134 259239520 /nfs/dbraw/zinc/23/95/20/259239520.db2.gz LGEBMTXKTYGDCS-HUUCEWRRSA-N 0 3 350.444 1.950 20 5 FDBDHN CCN1CCN([C@H]2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC000332112412 259242259 /nfs/dbraw/zinc/24/22/59/259242259.db2.gz JORHIUHVZDITOY-ZDUSSCGKSA-N 0 3 364.450 1.293 20 5 FDBDHN CCN1CCN([C@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC000332112412 259242260 /nfs/dbraw/zinc/24/22/60/259242260.db2.gz JORHIUHVZDITOY-ZDUSSCGKSA-N 0 3 364.450 1.293 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000332605783 259281896 /nfs/dbraw/zinc/28/18/96/259281896.db2.gz APSVWJIMPPZNHH-AAEUAGOBSA-N 0 3 358.402 1.696 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000362280577 259487954 /nfs/dbraw/zinc/48/79/54/259487954.db2.gz JOGJRVHWDCKWQC-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN N[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000367690561 260077975 /nfs/dbraw/zinc/07/79/75/260077975.db2.gz SHLHHKAFRPTKKC-CVEARBPZSA-N 0 3 365.386 1.849 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368875560 260253541 /nfs/dbraw/zinc/25/35/41/260253541.db2.gz LVSZFWKHIVCCNK-YVVXQTMVSA-N 0 3 363.414 1.453 20 5 FDBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368964431 260269313 /nfs/dbraw/zinc/26/93/13/260269313.db2.gz ONSDHGWEUNQWFN-DCGLDWPTSA-N 0 3 360.414 1.818 20 5 FDBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000369226756 260316295 /nfs/dbraw/zinc/31/62/95/260316295.db2.gz MTACOAUYQUADBB-GDBMZVCRSA-N 0 3 361.402 1.078 20 5 FDBDHN COc1ccc(NC(=O)CNC2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000369317519 260339514 /nfs/dbraw/zinc/33/95/14/260339514.db2.gz NGWUWUGPGAPXAC-UHFFFAOYSA-N 0 3 371.393 1.661 20 5 FDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369344708 260344574 /nfs/dbraw/zinc/34/45/74/260344574.db2.gz IFPGFHYKSMVAFH-ZVVFDCPKSA-N 0 3 374.441 1.131 20 5 FDBDHN Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000369346417 260345765 /nfs/dbraw/zinc/34/57/65/260345765.db2.gz XTWRYCCSRGWHEP-CQSZACIVSA-N 0 3 361.446 1.337 20 5 FDBDHN COc1ccc(CNC[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000372006849 260802463 /nfs/dbraw/zinc/80/24/63/260802463.db2.gz OOLXOHFMDDAHGS-GOSISDBHSA-N 0 3 365.430 1.574 20 5 FDBDHN O=C(Nc1cnn(CCN2CCCCC2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000373315772 261000594 /nfs/dbraw/zinc/00/05/94/261000594.db2.gz FWAXIRFTACHXCI-UHFFFAOYSA-N 0 3 359.390 1.738 20 5 FDBDHN O=C(CN1CCC[C@@H](c2nc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374544001 261151280 /nfs/dbraw/zinc/15/12/80/261151280.db2.gz CNMGAUWGUBBFFB-CYBMUJFWSA-N 0 3 356.386 1.482 20 5 FDBDHN C[C@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000374593383 261159428 /nfs/dbraw/zinc/15/94/28/261159428.db2.gz IXODYMWLJIEDGP-CVEARBPZSA-N 0 3 354.428 1.916 20 5 FDBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000374783037 261195179 /nfs/dbraw/zinc/19/51/79/261195179.db2.gz VPCNJASXCBCWMR-GOOCMWNKSA-N 0 3 357.414 1.901 20 5 FDBDHN CC(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000025920011 519090492 /nfs/dbraw/zinc/09/04/92/519090492.db2.gz QRJXQPZSHBXMLA-GOSISDBHSA-N 0 3 371.441 1.990 20 5 FDBDHN CNC(=O)c1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000029931567 519334076 /nfs/dbraw/zinc/33/40/76/519334076.db2.gz UQJHHHSKIHUAML-KRWDZBQOSA-N 0 3 373.409 1.826 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000041659936 519663477 /nfs/dbraw/zinc/66/34/77/519663477.db2.gz QXEIMLKVCAHKGF-UHFFFAOYSA-N 0 3 364.402 1.390 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000042591295 519697379 /nfs/dbraw/zinc/69/73/79/519697379.db2.gz DUHZYSAJGHIITH-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000069526804 521903036 /nfs/dbraw/zinc/90/30/36/521903036.db2.gz SDACNFJYJPKILX-CQSZACIVSA-N 0 3 353.444 1.914 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000069577991 521918942 /nfs/dbraw/zinc/91/89/42/521918942.db2.gz SKJZELAWGCSEEC-CQSZACIVSA-N 0 3 351.403 1.834 20 5 FDBDHN CN(CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000064916249 522763426 /nfs/dbraw/zinc/76/34/26/522763426.db2.gz SEWQCQHWZGQNFJ-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000074492590 522785554 /nfs/dbraw/zinc/78/55/54/522785554.db2.gz HCOICADRMTZVEH-KRWDZBQOSA-N 0 3 361.446 1.911 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065938428 522921107 /nfs/dbraw/zinc/92/11/07/522921107.db2.gz POPUAYIQLMXWAL-UHFFFAOYSA-N 0 3 368.344 1.055 20 5 FDBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065936602 522921339 /nfs/dbraw/zinc/92/13/39/522921339.db2.gz DMRZUGAYXOQCLF-UHFFFAOYSA-N 0 3 366.809 1.430 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054899685 523715775 /nfs/dbraw/zinc/71/57/75/523715775.db2.gz LTYLVZVTJYJKBO-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@H](N2CCCC2)C1 ZINC000136863022 524217549 /nfs/dbraw/zinc/21/75/49/524217549.db2.gz MKDRXAPOSLYFNP-AWEZNQCLSA-N 0 3 365.455 1.990 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000122417758 524531997 /nfs/dbraw/zinc/53/19/97/524531997.db2.gz WNXNKUDABICJTG-FZMZJTMJSA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122471706 524546592 /nfs/dbraw/zinc/54/65/92/524546592.db2.gz QOMRRPZAULXWBY-AAEUAGOBSA-N 0 3 357.407 1.839 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000090539915 524600813 /nfs/dbraw/zinc/60/08/13/524600813.db2.gz YJMFHKAJYRXPTL-YJBOKZPZSA-N 0 3 359.430 1.670 20 5 FDBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151606312 524626273 /nfs/dbraw/zinc/62/62/73/524626273.db2.gz AXTXHOVAZPQTJS-GFCCVEGCSA-N 0 3 357.407 1.840 20 5 FDBDHN Cc1c(C(=O)N(CCN(C)C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000151797740 524688377 /nfs/dbraw/zinc/68/83/77/524688377.db2.gz GMRGUKAPLFVDFU-UHFFFAOYSA-N 0 3 360.418 1.896 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000124382301 524972434 /nfs/dbraw/zinc/97/24/34/524972434.db2.gz PQPOQMKAKLIBGO-UHFFFAOYSA-N 0 3 358.398 1.789 20 5 FDBDHN O=C(CNC[C@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160913869 524996482 /nfs/dbraw/zinc/99/64/82/524996482.db2.gz ZELUCVNCGJBGME-QGZVFWFLSA-N 0 3 363.414 1.733 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176676481 525164606 /nfs/dbraw/zinc/16/46/06/525164606.db2.gz YJYGGTGZMFUIBE-UHFFFAOYSA-N 0 3 350.419 1.917 20 5 FDBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125355270 525193378 /nfs/dbraw/zinc/19/33/78/525193378.db2.gz PTABHZWPJGKGBL-OAHLLOKOSA-N 0 3 357.414 1.922 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000162363831 525248098 /nfs/dbraw/zinc/24/80/98/525248098.db2.gz ZEYVVWPSUYSHQV-OAHLLOKOSA-N 0 3 373.413 1.474 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162589970 525282944 /nfs/dbraw/zinc/28/29/44/525282944.db2.gz HENCJWJOTRBHNZ-QGZVFWFLSA-N 0 3 362.430 1.212 20 5 FDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126504812 525318853 /nfs/dbraw/zinc/31/88/53/525318853.db2.gz LYBAHPIQZRALLA-OAHLLOKOSA-N 0 3 358.398 1.046 20 5 FDBDHN NC(=O)CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000117335620 525323785 /nfs/dbraw/zinc/32/37/85/525323785.db2.gz JBEDVDFGTMABOW-UHFFFAOYSA-N 0 3 362.386 1.623 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000162836282 525325109 /nfs/dbraw/zinc/32/51/09/525325109.db2.gz YGRFXNNRHLJHAE-UHFFFAOYSA-N 0 3 371.459 1.168 20 5 FDBDHN COc1cc(NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])cc1F ZINC000126552844 525325095 /nfs/dbraw/zinc/32/50/95/525325095.db2.gz DKYPPJHBCJTCFX-UHFFFAOYSA-N 0 3 370.425 1.545 20 5 FDBDHN Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1OCCN1CCCC1 ZINC000119122798 525644061 /nfs/dbraw/zinc/64/40/61/525644061.db2.gz HNZMMVZAPUXWCJ-UHFFFAOYSA-N 0 3 374.401 1.608 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119449119 525749204 /nfs/dbraw/zinc/74/92/04/525749204.db2.gz BRBFKLPOTAITPX-HZMBPMFUSA-N 0 3 368.821 1.985 20 5 FDBDHN CCO[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181612289 525879492 /nfs/dbraw/zinc/87/94/92/525879492.db2.gz CSCOAGPAJAUSMZ-LSDHHAIUSA-N 0 3 371.459 1.666 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000108299155 525946652 /nfs/dbraw/zinc/94/66/52/525946652.db2.gz GKLQZJOXEWOJLL-AWEZNQCLSA-N 0 3 356.386 1.390 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000132280087 525952914 /nfs/dbraw/zinc/95/29/14/525952914.db2.gz JZXKIBGAGTWPLR-AWEZNQCLSA-N 0 3 373.413 1.621 20 5 FDBDHN CCN(CC)[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181931156 525987542 /nfs/dbraw/zinc/98/75/42/525987542.db2.gz IBVROTNNJZNEIV-HNNXBMFYSA-N 0 3 355.460 1.785 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108618633 526007368 /nfs/dbraw/zinc/00/73/68/526007368.db2.gz JJXNVTXMTOVZBB-NSHDSACASA-N 0 3 366.805 1.787 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000120385050 526048074 /nfs/dbraw/zinc/04/80/74/526048074.db2.gz YVYZZFFIEIMHDZ-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN O=C(NCCN1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109986251 526212717 /nfs/dbraw/zinc/21/27/17/526212717.db2.gz AKEXQURJVWETHI-CYBMUJFWSA-N 0 3 364.402 1.395 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000183119914 535923212 /nfs/dbraw/zinc/92/32/12/535923212.db2.gz YDRJQTRRBXSKFS-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183380383 535971315 /nfs/dbraw/zinc/97/13/15/535971315.db2.gz OGZNWOGRRQMWGW-GOEBONIOSA-N 0 3 350.350 1.445 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000184372776 536140409 /nfs/dbraw/zinc/14/04/09/536140409.db2.gz FXWCRKGDEJJKPK-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000184396294 536145853 /nfs/dbraw/zinc/14/58/53/536145853.db2.gz RHEJWSDANLBEKS-OAHLLOKOSA-N 0 3 363.462 1.173 20 5 FDBDHN COc1cc(CCNC(=O)C[C@@H]2CSCCN2)c([N+](=O)[O-])cc1OC ZINC000262793677 536902522 /nfs/dbraw/zinc/90/25/22/536902522.db2.gz NWERLLBFFMTPPE-GFCCVEGCSA-N 0 3 369.443 1.366 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246231665 536906302 /nfs/dbraw/zinc/90/63/02/536906302.db2.gz QWWOOWYHLMKBOW-WCQYABFASA-N 0 3 357.432 1.564 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246445797 536956074 /nfs/dbraw/zinc/95/60/74/536956074.db2.gz DXEQUCMNHIRLHP-BPLDGKMQSA-N 0 3 366.443 1.802 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189137268 537002954 /nfs/dbraw/zinc/00/29/54/537002954.db2.gz AGLIRNWWJHCTBE-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000246988400 537063957 /nfs/dbraw/zinc/06/39/57/537063957.db2.gz YIULVLYZOYFWAB-SUMWQHHRSA-N 0 3 370.413 1.732 20 5 FDBDHN CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000247920079 537157364 /nfs/dbraw/zinc/15/73/64/537157364.db2.gz BQVSEMWOFKJMJT-MAUKXSAKSA-N 0 3 356.382 1.318 20 5 FDBDHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000247920709 537157382 /nfs/dbraw/zinc/15/73/82/537157382.db2.gz ODMVMPMKEFKNKC-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248412266 537178806 /nfs/dbraw/zinc/17/88/06/537178806.db2.gz FEIQFBOJQFUKTJ-UKRRQHHQSA-N 0 3 362.430 1.432 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193879850 537256603 /nfs/dbraw/zinc/25/66/03/537256603.db2.gz MDWXMSOODXIQJD-GFCCVEGCSA-N 0 3 374.438 1.038 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280244324 537391540 /nfs/dbraw/zinc/39/15/40/537391540.db2.gz BBTAOXHFPMLUMC-SJLPKXTDSA-N 0 3 373.409 1.883 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1N1CCCC1 ZINC000276295763 537399772 /nfs/dbraw/zinc/39/97/72/537399772.db2.gz WJVSROMVEXOWCW-GJZGRUSLSA-N 0 3 350.444 1.829 20 5 FDBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271694245 537476954 /nfs/dbraw/zinc/47/69/54/537476954.db2.gz KSARBGITECFTHS-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN CN(C)CCOc1ccccc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350275967 537489191 /nfs/dbraw/zinc/48/91/91/537489191.db2.gz PHSCIRUGQHYFHN-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000299285220 537536462 /nfs/dbraw/zinc/53/64/62/537536462.db2.gz LXTLITDCXXOCQB-CYBMUJFWSA-N 0 3 350.419 1.995 20 5 FDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236680550 537594919 /nfs/dbraw/zinc/59/49/19/537594919.db2.gz KVFHSIMTOKPBHI-GFCCVEGCSA-N 0 3 354.432 1.314 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC000362475225 537597865 /nfs/dbraw/zinc/59/78/65/537597865.db2.gz XKFLZCLKEMWPAX-WBMJQRKESA-N 0 3 356.386 1.342 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285250966 537669343 /nfs/dbraw/zinc/66/93/43/537669343.db2.gz XAVKDHYUNPIPPT-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN O=C1NC(=O)C2(CCC(NCc3cc(Cl)ccc3[N+](=O)[O-])CC2)N1 ZINC000285512647 537723735 /nfs/dbraw/zinc/72/37/35/537723735.db2.gz OGWZMGUQSFJLGC-UHFFFAOYSA-N 0 3 352.778 1.859 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCNCc2cccnc2)c1 ZINC000392129681 537775685 /nfs/dbraw/zinc/77/56/85/537775685.db2.gz KTOAZNXIWNCFGO-UHFFFAOYSA-N 0 3 350.400 1.448 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(c3ccccc3F)CC2)c1 ZINC000375804441 537777724 /nfs/dbraw/zinc/77/77/24/537777724.db2.gz IDMYRXIMEJNWJB-HNNXBMFYSA-N 0 3 363.393 1.504 20 5 FDBDHN Cc1c(CC(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000372184865 537894708 /nfs/dbraw/zinc/89/47/08/537894708.db2.gz GHGINHLLZBLDFU-KRWDZBQOSA-N 0 3 374.485 1.932 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCN2CCCOCC2)CC1 ZINC000372321920 537920909 /nfs/dbraw/zinc/92/09/09/537920909.db2.gz UMAHHJNJDCXDDF-UHFFFAOYSA-N 0 3 368.459 1.136 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412259712 537962368 /nfs/dbraw/zinc/96/23/68/537962368.db2.gz RHRGEVVJCXZJJA-JCGIZDLHSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432307595 538136390 /nfs/dbraw/zinc/13/63/90/538136390.db2.gz NRDOVNJJUPEYEZ-UHFFFAOYSA-N 0 3 352.822 1.993 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424006092 538211294 /nfs/dbraw/zinc/21/12/94/538211294.db2.gz UBOKNCMLNDUPGQ-NSHDSACASA-N 0 3 373.359 1.678 20 5 FDBDHN COc1cc(C(=O)NCCCNCc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000428114002 538273136 /nfs/dbraw/zinc/27/31/36/538273136.db2.gz DGLQWJWMBIOQOH-UHFFFAOYSA-N 0 3 374.397 1.917 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424302258 538276039 /nfs/dbraw/zinc/27/60/39/538276039.db2.gz YZIBOCZEWCZCFA-KNXALSJPSA-N 0 3 358.402 1.082 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CC[NH2+]C1 ZINC000440867445 538288547 /nfs/dbraw/zinc/28/85/47/538288547.db2.gz YEURABLRCQVHQT-MRVPVSSYSA-N 0 3 364.221 1.245 20 5 FDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420445177 538295988 /nfs/dbraw/zinc/29/59/88/538295988.db2.gz SCATXDCNEOIYEU-BQBZGAKWSA-N 0 3 352.210 1.371 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425051672 538371753 /nfs/dbraw/zinc/37/17/53/538371753.db2.gz UHPZBTWVFZENLD-GOEBONIOSA-N 0 3 360.414 1.267 20 5 FDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449669112 538426426 /nfs/dbraw/zinc/42/64/26/538426426.db2.gz UWZJCSSTAWIMOT-LBPRGKRZSA-N 0 3 352.297 1.576 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000454136445 538519058 /nfs/dbraw/zinc/51/90/58/538519058.db2.gz QQIFDVAKXPLRDB-ZDUSSCGKSA-N 0 3 352.391 1.572 20 5 FDBDHN Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461780070 538564589 /nfs/dbraw/zinc/56/45/89/538564589.db2.gz MMDMREQUYWULEG-UHFFFAOYSA-N 0 3 350.394 1.787 20 5 FDBDHN COc1c(C(=O)NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000477121272 538599448 /nfs/dbraw/zinc/59/94/48/538599448.db2.gz QOHWEXCGRPWWBI-ZDUSSCGKSA-N 0 3 351.403 1.834 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000472611356 538669548 /nfs/dbraw/zinc/66/95/48/538669548.db2.gz KKUWZYPJFXHMJS-LBPRGKRZSA-N 0 3 366.393 1.909 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000488211793 538725981 /nfs/dbraw/zinc/72/59/81/538725981.db2.gz WBHKBRTYNXVVPM-ZDUSSCGKSA-N 0 3 365.386 1.146 20 5 FDBDHN CN1CC[C@@]2(CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])C2)C1 ZINC000488728940 538767780 /nfs/dbraw/zinc/76/77/80/538767780.db2.gz IXMMMJVMSAPYFR-LJQANCHMSA-N 0 3 374.441 1.599 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000470063929 538826673 /nfs/dbraw/zinc/82/66/73/538826673.db2.gz BFQUNNSOGDVGKV-AWEZNQCLSA-N 0 3 360.414 1.465 20 5 FDBDHN CCN(CCO)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272402 546073970 /nfs/dbraw/zinc/07/39/70/546073970.db2.gz GYJMJWHQBWHSHF-UHFFFAOYSA-N 0 3 363.418 1.232 20 5 FDBDHN CN(C)CCCCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564339202 546884266 /nfs/dbraw/zinc/88/42/66/546884266.db2.gz DAQLJQJOQCUIDZ-UHFFFAOYSA-N 0 3 357.432 1.217 20 5 FDBDHN Cn1cc(C(=O)N[C@H]2CNCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564656295 546991398 /nfs/dbraw/zinc/99/13/98/546991398.db2.gz SDWQVHXADZQURG-ZDUSSCGKSA-N 0 3 365.340 1.722 20 5 FDBDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000565215339 547259051 /nfs/dbraw/zinc/25/90/51/547259051.db2.gz HMNFPMVLRUMPSV-DAYGRLMNSA-N 0 3 355.398 1.925 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000566063896 547585498 /nfs/dbraw/zinc/58/54/98/547585498.db2.gz PSQXSDACDZUCLE-ZDUSSCGKSA-N 0 3 374.319 1.883 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566489249 547779052 /nfs/dbraw/zinc/77/90/52/547779052.db2.gz JRTQWEPVOIJFHA-KOLCDFICSA-N 0 3 358.320 1.670 20 5 FDBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1C1CCCCC1 ZINC000567263083 548055566 /nfs/dbraw/zinc/05/55/66/548055566.db2.gz QFUJJJLCSGVLIY-CVEARBPZSA-N 0 3 365.434 1.066 20 5 FDBDHN CO[C@H](c1ccccc1F)[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567686720 548213500 /nfs/dbraw/zinc/21/35/00/548213500.db2.gz XWHGNQIMQBOYSV-GHJWDPDVSA-N 0 3 352.366 1.657 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(F)cc(Br)c2)c1 ZINC000568710274 548645744 /nfs/dbraw/zinc/64/57/44/548645744.db2.gz SMRHUZNCJVKAFE-ZDUSSCGKSA-N 0 3 373.182 1.844 20 5 FDBDHN C[C@H]1C[C@H]1N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000569303452 548866558 /nfs/dbraw/zinc/86/65/58/548866558.db2.gz LICZBZAIOGCDCH-TYNCELHUSA-N 0 3 368.459 1.409 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000569768190 549040790 /nfs/dbraw/zinc/04/07/90/549040790.db2.gz CLRUTQQKKVQCJD-UHFFFAOYSA-N 0 3 358.402 1.777 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570527292 549312871 /nfs/dbraw/zinc/31/28/71/549312871.db2.gz KZJYFKNQWCEKGV-WFASDCNBSA-N 0 3 353.444 1.986 20 5 FDBDHN CN(C)CCOc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000571218651 549569608 /nfs/dbraw/zinc/56/96/08/549569608.db2.gz UNQZBSDJYNZEBH-UHFFFAOYSA-N 0 3 356.386 2.190 20 5 FDBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000571671704 549729927 /nfs/dbraw/zinc/72/99/27/549729927.db2.gz DTZONVJQCLNYLQ-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN Cc1nn(-c2ccccc2)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571993615 549819058 /nfs/dbraw/zinc/81/90/58/549819058.db2.gz KJUULSKASAHJQP-KRWDZBQOSA-N 0 3 356.386 1.436 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000573136881 550073054 /nfs/dbraw/zinc/07/30/54/550073054.db2.gz AICPVJWBRXMPRJ-OAHLLOKOSA-N 0 3 365.478 2.463 20 5 FDBDHN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000574584406 550337956 /nfs/dbraw/zinc/33/79/56/550337956.db2.gz YUVPZDUIZKOQHU-GFCCVEGCSA-N 0 3 350.419 1.055 20 5 FDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000575802654 550477631 /nfs/dbraw/zinc/47/76/31/550477631.db2.gz RXJYHGTYIIUKPF-ZDUSSCGKSA-N 0 3 370.356 1.158 20 5 FDBDHN Cc1cc(C)n(-c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)n1 ZINC000576863455 550594258 /nfs/dbraw/zinc/59/42/58/550594258.db2.gz NTSWFKXOUSCYOX-INIZCTEOSA-N 0 3 371.401 1.140 20 5 FDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000577106949 550621280 /nfs/dbraw/zinc/62/12/80/550621280.db2.gz KVAIQHPXOSIDPG-ZDUSSCGKSA-N 0 3 351.313 1.508 20 5 FDBDHN O=C1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000583929548 551421820 /nfs/dbraw/zinc/42/18/20/551421820.db2.gz POZRGOZOQKCTDR-ZBFHGGJFSA-N 0 3 371.393 1.730 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)CC2CCCC2)cc1 ZINC000584053174 551440004 /nfs/dbraw/zinc/44/00/04/551440004.db2.gz AVMMNUBEELSXMO-AWEZNQCLSA-N 0 3 356.444 1.899 20 5 FDBDHN O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000585718607 551587150 /nfs/dbraw/zinc/58/71/50/551587150.db2.gz OFILRFBDGXMFCY-OAHLLOKOSA-N 0 3 362.430 1.720 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000588777693 551686636 /nfs/dbraw/zinc/68/66/36/551686636.db2.gz VFKQZPRLAAVOFO-MRXNPFEDSA-N 0 3 374.441 1.606 20 5 FDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860087 551693887 /nfs/dbraw/zinc/69/38/87/551693887.db2.gz DEIBBICOJNXGEP-HZPDHXFCSA-N 0 3 374.441 1.476 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000590574641 551794094 /nfs/dbraw/zinc/79/40/94/551794094.db2.gz PGGSISLNBUZVGO-CYBMUJFWSA-N 0 3 365.434 1.462 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCCN(CCCO)C1)OCCO2 ZINC000590655100 551801675 /nfs/dbraw/zinc/80/16/75/551801675.db2.gz FGQYFFBTNPASRZ-AWEZNQCLSA-N 0 3 351.403 1.302 20 5 FDBDHN COCCN1CCC[C@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000590689678 551805530 /nfs/dbraw/zinc/80/55/30/551805530.db2.gz HJVBRUGFNUEPLV-AWEZNQCLSA-N 0 3 351.403 1.833 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000591727488 551903921 /nfs/dbraw/zinc/90/39/21/551903921.db2.gz CLMPLSFNUYRJNF-OAHLLOKOSA-N 0 3 365.430 1.763 20 5 FDBDHN CN(C)[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000591740104 551905127 /nfs/dbraw/zinc/90/51/27/551905127.db2.gz UXZSLZDGWRFGMH-WFASDCNBSA-N 0 3 369.372 1.323 20 5 FDBDHN CC[C@@H](CN1CCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591742821 551905492 /nfs/dbraw/zinc/90/54/92/551905492.db2.gz IVZOZUCAOQIYDV-AWEZNQCLSA-N 0 3 355.460 1.833 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000591756980 551906600 /nfs/dbraw/zinc/90/66/00/551906600.db2.gz LMUMTNBMXOATLH-ZBFHGGJFSA-N 0 3 358.398 1.598 20 5 FDBDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000591910442 551915770 /nfs/dbraw/zinc/91/57/70/551915770.db2.gz CVPCLYOTROBODV-QWHCGFSZSA-N 0 3 363.418 1.417 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)NCCc1ccccc1[N+](=O)[O-])CCO2 ZINC000591968985 551921601 /nfs/dbraw/zinc/92/16/01/551921601.db2.gz JJNXZPWZDNMROE-UHFFFAOYSA-N 0 3 362.430 1.644 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000591985462 551923499 /nfs/dbraw/zinc/92/34/99/551923499.db2.gz ODERTCYLRUIBQF-SNVBAGLBSA-N 0 3 358.345 1.752 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592881546 552038728 /nfs/dbraw/zinc/03/87/28/552038728.db2.gz TVKDUAGFCYEKLA-LBPRGKRZSA-N 0 3 366.443 1.265 20 5 FDBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593528303 552123747 /nfs/dbraw/zinc/12/37/47/552123747.db2.gz LINLIKCUQFJCKZ-UHFFFAOYSA-N 0 3 358.464 1.978 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566139 552136459 /nfs/dbraw/zinc/13/64/59/552136459.db2.gz JWTMEFXNGWVEMO-ZDUSSCGKSA-N 0 3 356.448 1.636 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566139 552136462 /nfs/dbraw/zinc/13/64/62/552136462.db2.gz JWTMEFXNGWVEMO-ZDUSSCGKSA-N 0 3 356.448 1.636 20 5 FDBDHN Cc1c(C(=O)N[C@H](CN)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000594452094 552313715 /nfs/dbraw/zinc/31/37/15/552313715.db2.gz XSYZADHIEFWKMI-SNVBAGLBSA-N 0 3 358.280 1.103 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1OCc1ccccc1 ZINC000594603067 552339725 /nfs/dbraw/zinc/33/97/25/552339725.db2.gz HSOHIMQWOUTHLU-JKSUJKDBSA-N 0 3 370.409 1.824 20 5 FDBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594717968 552362848 /nfs/dbraw/zinc/36/28/48/552362848.db2.gz JBUMUYCJUNLCJC-DOMZBBRYSA-N 0 3 358.416 1.010 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595033755 552440381 /nfs/dbraw/zinc/44/03/81/552440381.db2.gz CLQXDAGTDKXQQZ-VXGBXAGGSA-N 0 3 357.432 1.536 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595194172 552485412 /nfs/dbraw/zinc/48/54/12/552485412.db2.gz JXTWJRXWPZVCBJ-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595636343 552596244 /nfs/dbraw/zinc/59/62/44/552596244.db2.gz XOHFZQUHQMWEGJ-UNEWFSDZSA-N 0 3 365.430 1.997 20 5 FDBDHN CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595716463 552605766 /nfs/dbraw/zinc/60/57/66/552605766.db2.gz ANBZIRCHFGSZSV-MLGOLLRUSA-N 0 3 352.391 1.081 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)C[C@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000595735415 552608445 /nfs/dbraw/zinc/60/84/45/552608445.db2.gz HOQUSQZPFQNSDC-ZDUSSCGKSA-N 0 3 353.375 1.279 20 5 FDBDHN COc1cccc([C@@]2(C)CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595765398 552612951 /nfs/dbraw/zinc/61/29/51/552612951.db2.gz KQPFVEPPTOHQHO-WMZOPIPTSA-N 0 3 360.414 1.824 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595804628 552617872 /nfs/dbraw/zinc/61/78/72/552617872.db2.gz ARLIBHRBJKUTGU-OAHLLOKOSA-N 0 3 361.446 1.911 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595907087 552631750 /nfs/dbraw/zinc/63/17/50/552631750.db2.gz FXTUYJJKXNHGMR-QPUJVOFHSA-N 0 3 364.324 1.752 20 5 FDBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)CC1 ZINC000596089876 552654390 /nfs/dbraw/zinc/65/43/90/552654390.db2.gz YPVOVZJBUHGWQE-UHFFFAOYSA-N 0 3 361.446 1.158 20 5 FDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000596178124 552662439 /nfs/dbraw/zinc/66/24/39/552662439.db2.gz HYMHFCMKDGANAI-XJKSGUPXSA-N 0 3 361.446 1.156 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596844524 552717329 /nfs/dbraw/zinc/71/73/29/552717329.db2.gz QGKABHHWGIPYTC-CQSZACIVSA-N 0 3 364.402 1.978 20 5 FDBDHN COCCN1CC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096624 552746178 /nfs/dbraw/zinc/74/61/78/552746178.db2.gz CCTIHDSTZLGMNT-JTQLQIEISA-N 0 3 357.798 1.673 20 5 FDBDHN Cc1cc(OCC(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693457 552822699 /nfs/dbraw/zinc/82/26/99/552822699.db2.gz DJIWDKHDXPOONJ-DLBZAZTESA-N 0 3 363.414 1.604 20 5 FDBDHN CN1CCN(CC2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000597695549 552823047 /nfs/dbraw/zinc/82/30/47/552823047.db2.gz UHLOAFQNWZGCKC-UHFFFAOYSA-N 0 3 368.384 1.121 20 5 FDBDHN CN1CCN(CC2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000597695112 552823100 /nfs/dbraw/zinc/82/31/00/552823100.db2.gz QJTUIGAMGHRRRT-UHFFFAOYSA-N 0 3 360.458 1.578 20 5 FDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000597924428 552846292 /nfs/dbraw/zinc/84/62/92/552846292.db2.gz RJPDVPCIMMQCMM-LBPRGKRZSA-N 0 3 358.402 1.778 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597989170 552853143 /nfs/dbraw/zinc/85/31/43/552853143.db2.gz CHFVLINUESAQIZ-QGZVFWFLSA-N 0 3 370.409 1.795 20 5 FDBDHN CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598040497 552859588 /nfs/dbraw/zinc/85/95/88/552859588.db2.gz GPQLWOXHHUVMHZ-MRXNPFEDSA-N 0 3 362.430 1.657 20 5 FDBDHN Nc1nccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598061907 552862130 /nfs/dbraw/zinc/86/21/30/552862130.db2.gz JOTNKJQOANJKKV-UHFFFAOYSA-N 0 3 370.413 1.609 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062740 552862148 /nfs/dbraw/zinc/86/21/48/552862148.db2.gz UNBUYQUCTHAZBS-UHFFFAOYSA-N 0 3 358.402 1.365 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598188629 552874106 /nfs/dbraw/zinc/87/41/06/552874106.db2.gz VTQQAIPYQQYRAC-UHFFFAOYSA-N 0 3 361.402 1.168 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2N)cn1 ZINC000598913829 552943993 /nfs/dbraw/zinc/94/39/93/552943993.db2.gz PJNFESUBDXRHAT-WCQYABFASA-N 0 3 364.793 1.940 20 5 FDBDHN C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072124 552964867 /nfs/dbraw/zinc/96/48/67/552964867.db2.gz ZDKUIVAEOTUQOL-TZMCWYRMSA-N 0 3 353.386 1.962 20 5 FDBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599281410 553014159 /nfs/dbraw/zinc/01/41/59/553014159.db2.gz SQQOSTXANPAXIX-UHFFFAOYSA-N 0 3 373.479 1.603 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCOCC2)CC[C@@H]1CO ZINC000599543290 553083820 /nfs/dbraw/zinc/08/38/20/553083820.db2.gz PDBYHUPCGDZOQT-OAHLLOKOSA-N 0 3 351.403 1.010 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601114248 553348983 /nfs/dbraw/zinc/34/89/83/553348983.db2.gz OCWHPTZNIHRNDK-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CN1CCC(CNc2ncc(F)cc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000601176011 553356046 /nfs/dbraw/zinc/35/60/46/553356046.db2.gz NBSBHDRMAISWTI-UHFFFAOYSA-N 0 3 353.398 1.337 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601419306 553400628 /nfs/dbraw/zinc/40/06/28/553400628.db2.gz JBHANQLENXHDRB-OAHLLOKOSA-N 0 3 357.407 1.759 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880543 553486282 /nfs/dbraw/zinc/48/62/82/553486282.db2.gz OTMNDEZJBGAGES-INIZCTEOSA-N 0 3 357.414 1.799 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(C3CC3)C2)ncnc1N[C@H]1CCN(C2CC2)C1 ZINC000603279144 553751919 /nfs/dbraw/zinc/75/19/19/553751919.db2.gz NOAISZUSWNTTRA-BETUJISGSA-N 0 3 373.461 1.682 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000603279180 553751956 /nfs/dbraw/zinc/75/19/56/553751956.db2.gz PBPYCGAFNFKORA-STQMWFEESA-N 0 3 373.461 1.682 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CCCN(CCN4CCOCC4)C3)[nH]c2c1 ZINC000603423297 553784933 /nfs/dbraw/zinc/78/49/33/553784933.db2.gz NVAWIMOIEMHYMO-CQSZACIVSA-N 0 3 374.445 1.102 20 5 FDBDHN COc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424523 553785227 /nfs/dbraw/zinc/78/52/27/553785227.db2.gz ZWUOCAZVZMCFFK-INIZCTEOSA-N 0 3 364.446 1.812 20 5 FDBDHN CCN1CCC[C@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000604270683 553859006 /nfs/dbraw/zinc/85/90/06/553859006.db2.gz KXFUKBJQEYHIQH-HNNXBMFYSA-N 0 3 362.430 1.963 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000609533534 554388933 /nfs/dbraw/zinc/38/89/33/554388933.db2.gz RUIHBOSBHMEFRA-WBMJQRKESA-N 0 3 360.414 1.408 20 5 FDBDHN C[C@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609574794 554396103 /nfs/dbraw/zinc/39/61/03/554396103.db2.gz YOPJPSQFOXTAFH-BBRMVZONSA-N 0 3 370.413 1.970 20 5 FDBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609813150 554424427 /nfs/dbraw/zinc/42/44/27/554424427.db2.gz YOIQNGPNNUDVHM-UHFFFAOYSA-N 0 3 374.344 1.591 20 5 FDBDHN NC(=O)c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610002349 554447940 /nfs/dbraw/zinc/44/79/40/554447940.db2.gz BINSDPJUCSWKAX-MRXNPFEDSA-N 0 3 362.430 1.380 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610913446 554580094 /nfs/dbraw/zinc/58/00/94/554580094.db2.gz WSIBVVZYCUXHQO-QGZVFWFLSA-N 0 3 372.425 1.919 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000610923032 554581226 /nfs/dbraw/zinc/58/12/26/554581226.db2.gz KJUNTCCONNSAJL-LBPRGKRZSA-N 0 3 364.450 1.340 20 5 FDBDHN NC(=O)C1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611185219 554613393 /nfs/dbraw/zinc/61/33/93/554613393.db2.gz PKGOLOJDAQCKBN-UHFFFAOYSA-N 0 3 370.409 1.276 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615696077 555229664 /nfs/dbraw/zinc/22/96/64/555229664.db2.gz FRCMSEHHHKDDJQ-CQSZACIVSA-N 0 3 360.414 1.852 20 5 FDBDHN CCN1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000616135982 555274591 /nfs/dbraw/zinc/27/45/91/555274591.db2.gz GKWKWRHMAFNXJG-CYBMUJFWSA-N 0 3 351.403 1.673 20 5 FDBDHN COC1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000616314261 555290691 /nfs/dbraw/zinc/29/06/91/555290691.db2.gz KOQBZVAXYDALCW-UHFFFAOYSA-N 0 3 350.419 1.813 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000618935463 555698030 /nfs/dbraw/zinc/69/80/30/555698030.db2.gz WMJAHPZPSSWIDJ-BETUJISGSA-N 0 3 365.434 1.669 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000619255451 555745339 /nfs/dbraw/zinc/74/53/39/555745339.db2.gz ZTGSJMAAOJWROW-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736143542 598335646 /nfs/dbraw/zinc/33/56/46/598335646.db2.gz KKOUHNZWLKWLKJ-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736143542 598335647 /nfs/dbraw/zinc/33/56/47/598335647.db2.gz KKOUHNZWLKWLKJ-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736143542 598335649 /nfs/dbraw/zinc/33/56/49/598335649.db2.gz KKOUHNZWLKWLKJ-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736143542 598335651 /nfs/dbraw/zinc/33/56/51/598335651.db2.gz KKOUHNZWLKWLKJ-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371733 599443077 /nfs/dbraw/zinc/44/30/77/599443077.db2.gz XMOFEYTWFWRLSN-UHFFFAOYSA-N 0 3 373.417 1.324 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371733 599443080 /nfs/dbraw/zinc/44/30/80/599443080.db2.gz XMOFEYTWFWRLSN-UHFFFAOYSA-N 0 3 373.417 1.324 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000273129283 674509202 /nfs/dbraw/zinc/50/92/02/674509202.db2.gz REWAKQIARCXMHB-NVXWUHKLSA-N 0 3 350.346 1.797 20 5 FDBDHN CCC(CC)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000273206734 674516895 /nfs/dbraw/zinc/51/68/95/674516895.db2.gz TVNUWPSQZIFWFC-UHFFFAOYSA-N 0 3 372.443 1.938 20 5 FDBDHN CC[NH+](CC)CCN(CCOC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821188927 606240342 /nfs/dbraw/zinc/24/03/42/606240342.db2.gz GMTONIAHGSLTEW-UHFFFAOYSA-N 0 3 363.422 1.570 20 5 FDBDHN CC[NH+](CC)CCN(CCOC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821188927 606240343 /nfs/dbraw/zinc/24/03/43/606240343.db2.gz GMTONIAHGSLTEW-UHFFFAOYSA-N 0 3 363.422 1.570 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000273434950 674536952 /nfs/dbraw/zinc/53/69/52/674536952.db2.gz LUEPYNCDMKDOQJ-XHSDSOJGSA-N 0 3 366.439 1.916 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000273508087 674544193 /nfs/dbraw/zinc/54/41/93/674544193.db2.gz NDDKQJVUXXPBIB-KBPBESRZSA-N 0 3 350.444 1.829 20 5 FDBDHN C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821587150 607114587 /nfs/dbraw/zinc/11/45/87/607114587.db2.gz JEDCHKHVTCHDEL-UHFFFAOYSA-N 0 3 357.374 1.936 20 5 FDBDHN C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821587150 607114589 /nfs/dbraw/zinc/11/45/89/607114589.db2.gz JEDCHKHVTCHDEL-UHFFFAOYSA-N 0 3 357.374 1.936 20 5 FDBDHN C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000826022978 607903912 /nfs/dbraw/zinc/90/39/12/607903912.db2.gz URULJOGZOVUEIU-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000826022978 607903913 /nfs/dbraw/zinc/90/39/13/607903913.db2.gz URULJOGZOVUEIU-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000275991690 674681252 /nfs/dbraw/zinc/68/12/52/674681252.db2.gz FODFHHRTYOQKMJ-SNVBAGLBSA-N 0 3 366.805 1.953 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365025751 677344528 /nfs/dbraw/zinc/34/45/28/677344528.db2.gz ZMPYXIOROARYSD-XHDPSFHLSA-N 0 3 354.432 1.033 20 5 FDBDHN Nc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000366204819 677421235 /nfs/dbraw/zinc/42/12/35/677421235.db2.gz VXYVEQCBGHSAPG-LBPRGKRZSA-N 0 3 352.366 1.299 20 5 FDBDHN O=C1OCCC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000370087400 677542699 /nfs/dbraw/zinc/54/26/99/677542699.db2.gz RITXZVGJYANMKA-CQSZACIVSA-N 0 3 350.371 1.364 20 5 FDBDHN N[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCC1 ZINC000423049821 680774247 /nfs/dbraw/zinc/77/42/47/680774247.db2.gz XWVVBSXGWSXMEK-ZDUSSCGKSA-N 0 3 352.416 1.068 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377475235 678547109 /nfs/dbraw/zinc/54/71/09/678547109.db2.gz LVATUHCZYJUXNF-NWDGAFQWSA-N 0 3 351.428 1.910 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCO[C@H](CN(C)C)C2)c1F ZINC000412129050 679160111 /nfs/dbraw/zinc/16/01/11/679160111.db2.gz JOGCOTDTXGBZAS-LLVKDONJSA-N 0 3 355.366 1.074 20 5 FDBDHN COC(=O)c1cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415600763 679462339 /nfs/dbraw/zinc/46/23/39/679462339.db2.gz OPSJFGGGSSMIJR-NXEZZACHSA-N 0 3 350.375 1.904 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000416392954 679601761 /nfs/dbraw/zinc/60/17/61/679601761.db2.gz UBQGZUWMQDWJOP-LLVKDONJSA-N 0 3 371.415 1.096 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)CCCC2 ZINC000417347836 679759223 /nfs/dbraw/zinc/75/92/23/679759223.db2.gz ICCLTRSAPJHSLV-HOTGVXAUSA-N 0 3 354.428 1.502 20 5 FDBDHN O=C([C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000430667477 681090206 /nfs/dbraw/zinc/09/02/06/681090206.db2.gz QBFZVOGKWWNYNU-ZDUSSCGKSA-N 0 3 350.394 1.378 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431951298 681141015 /nfs/dbraw/zinc/14/10/15/681141015.db2.gz NILICXMWQMREEM-AWEZNQCLSA-N 0 3 351.403 1.509 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451441441 682880567 /nfs/dbraw/zinc/88/05/67/682880567.db2.gz YORVKHBNXFXWND-OAHLLOKOSA-N 0 3 359.329 1.634 20 5 FDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452079975 683018870 /nfs/dbraw/zinc/01/88/70/683018870.db2.gz GQSDKJGKJOISTC-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2CCCO)cc([N+](=O)[O-])c1C ZINC000452374251 683062553 /nfs/dbraw/zinc/06/25/53/683062553.db2.gz WUPVFDYCHUNBTQ-AWEZNQCLSA-N 0 3 351.403 1.488 20 5 FDBDHN CNc1nc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000456014177 683557277 /nfs/dbraw/zinc/55/72/77/683557277.db2.gz WNNSKKLBZPXUPJ-UONOGXRCSA-N 0 3 365.459 1.683 20 5 FDBDHN C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000470114766 685009425 /nfs/dbraw/zinc/00/94/25/685009425.db2.gz LUDUNMLJJJAQGS-LBPRGKRZSA-N 0 3 353.398 1.739 20 5 FDBDHN COc1c(C(=O)N(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000475941727 685662754 /nfs/dbraw/zinc/66/27/54/685662754.db2.gz XAHLTISMJRHVPT-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN CN1CCN(CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485554301 686744348 /nfs/dbraw/zinc/74/43/48/686744348.db2.gz QKGPZEWYGMJQNM-UHFFFAOYSA-N 0 3 356.373 1.169 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000520245919 690301057 /nfs/dbraw/zinc/30/10/57/690301057.db2.gz YAJODBKTXCXFIB-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000532902543 694895580 /nfs/dbraw/zinc/89/55/80/694895580.db2.gz VUQUDMOWSTUKCQ-UHFFFAOYSA-N 0 3 352.439 1.199 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1N(C)C ZINC000537924919 694910063 /nfs/dbraw/zinc/91/00/63/694910063.db2.gz WRBQINNRXMJIFA-BXUZGUMPSA-N 0 3 353.400 1.441 20 5 FDBDHN CCCCc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022064920 777713762 /nfs/dbraw/zinc/71/37/62/777713762.db2.gz QVIJVVSARBQHJM-ZMJPVWNMSA-N 0 3 352.460 1.888 20 5 FDBDHN Cc1nnc(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000364375652 785036941 /nfs/dbraw/zinc/03/69/41/785036941.db2.gz FDWAMGKWKBCHPR-UHFFFAOYSA-N 0 3 358.402 1.864 20 5 FDBDHN COc1cccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000435919281 788152404 /nfs/dbraw/zinc/15/24/04/788152404.db2.gz WHDJMCKJOGJIPH-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000415713255 792857719 /nfs/dbraw/zinc/85/77/19/792857719.db2.gz RSAIYDPBRKZECS-MRXNPFEDSA-N 0 3 368.393 1.845 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)cc1OC ZINC000504015468 815029045 /nfs/dbraw/zinc/02/90/45/815029045.db2.gz RGGKCLKUOPQOKP-UHFFFAOYSA-N 0 3 367.402 1.454 20 5 FDBDHN Cc1n[nH]c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000433372819 810474665 /nfs/dbraw/zinc/47/46/65/810474665.db2.gz QCWPIBROYLYBFA-BBRMVZONSA-N 0 3 358.402 1.786 20 5 FDBDHN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000433372819 810474666 /nfs/dbraw/zinc/47/46/66/810474666.db2.gz QCWPIBROYLYBFA-BBRMVZONSA-N 0 3 358.402 1.786 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367069570 814299117 /nfs/dbraw/zinc/29/91/17/814299117.db2.gz XCGTXCKJALRXFM-CXAGYDPISA-N 0 3 362.386 1.189 20 5 FDBDHN COCC(C)(C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425501504 816390225 /nfs/dbraw/zinc/39/02/25/816390225.db2.gz DYWGVFPTMSARQT-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000515870465 816490690 /nfs/dbraw/zinc/49/06/90/816490690.db2.gz ZFILVDLKRVKSDN-UONOGXRCSA-N 0 3 371.372 1.544 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)COC3CCOCC3)C2)nc1 ZINC000440494238 828165574 /nfs/dbraw/zinc/16/55/74/828165574.db2.gz KXPHUSFLTQJGNI-DZGCQCFKSA-N 0 3 366.418 1.033 20 5 FDBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000447813938 828906737 /nfs/dbraw/zinc/90/67/37/828906737.db2.gz XYIFNTBEJLVZKU-CQSZACIVSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCN(C2CC2)C1 ZINC000532582232 834631453 /nfs/dbraw/zinc/63/14/53/834631453.db2.gz XIJQEWLLGASALI-LBPRGKRZSA-N 0 3 362.386 1.431 20 5 FDBDHN COc1ccc(-c2ccc(CNC[C@@H](O)Cn3ccnn3)o2)c([N+](=O)[O-])c1 ZINC000459706513 838910424 /nfs/dbraw/zinc/91/04/24/838910424.db2.gz VXDWPXIRGCCGHT-GFCCVEGCSA-N 0 3 373.369 1.606 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898382092 841058739 /nfs/dbraw/zinc/05/87/39/841058739.db2.gz RNZHHQGVNGAXSJ-ZIAGYGMSSA-N 0 3 350.371 1.661 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476356981 841079255 /nfs/dbraw/zinc/07/92/55/841079255.db2.gz KPGZSGZBVPONGR-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000907547530 854346923 /nfs/dbraw/zinc/34/69/23/854346923.db2.gz GUVRYGWGIHPUDC-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908199036 855179852 /nfs/dbraw/zinc/17/98/52/855179852.db2.gz BSWPRVDYEDLYHI-ZCFIWIBFSA-N 0 3 354.165 1.693 20 5 FDBDHN CCCCCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105707324 856021993 /nfs/dbraw/zinc/02/19/93/856021993.db2.gz WLYFTVZRGLUNAI-IAGOWNOFSA-N 0 3 353.463 1.924 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489121677 859237535 /nfs/dbraw/zinc/23/75/35/859237535.db2.gz JAUOHPWHCXJLJY-UHFFFAOYSA-N 0 3 362.430 1.214 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000916660401 881992274 /nfs/dbraw/zinc/99/22/74/881992274.db2.gz MYIXGBVRPBGIRF-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC001005380219 883162844 /nfs/dbraw/zinc/16/28/44/883162844.db2.gz CWMYXDFIZRFRQO-HZPDHXFCSA-N 0 3 363.462 1.726 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923291369 888746547 /nfs/dbraw/zinc/74/65/47/888746547.db2.gz QTLXPTNGAHFDGH-RDBSUJKOSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)c1 ZINC000923543642 889697513 /nfs/dbraw/zinc/69/75/13/889697513.db2.gz WMLRKFSULIQFJG-HUUCEWRRSA-N 0 3 357.414 1.774 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000272825188 890981979 /nfs/dbraw/zinc/98/19/79/890981979.db2.gz DLBHYTSBMRFEAJ-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012762 893633486 /nfs/dbraw/zinc/63/34/86/893633486.db2.gz LZILTZNVBPELPU-CHWSQXEVSA-N 0 3 363.418 1.181 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272963628 910327706 /nfs/dbraw/zinc/32/77/06/910327706.db2.gz RYJCNSZHALBSKL-CJNGLKHVSA-N 0 3 360.414 1.186 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000273115742 911094813 /nfs/dbraw/zinc/09/48/13/911094813.db2.gz YMRZMYLIKNJWRY-HNNXBMFYSA-N 0 3 366.414 1.464 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000731683998 918423219 /nfs/dbraw/zinc/42/32/19/918423219.db2.gz MVXFTYJJRXDIAF-HOCLYGCPSA-N 0 3 364.402 1.136 20 5 FDBDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000743980291 926536396 /nfs/dbraw/zinc/53/63/96/926536396.db2.gz KXOBLTJXLLSNTO-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018113 928237348 /nfs/dbraw/zinc/23/73/48/928237348.db2.gz BPNHZRCPFPRILT-NOCIGQNYSA-N 0 3 374.441 1.947 20 5 FDBDHN Cn1nc(CN(c2ncccn2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025852 928251449 /nfs/dbraw/zinc/25/14/49/928251449.db2.gz ZJIRBGAJJMVVFP-KGLIPLIRSA-N 0 3 371.445 1.308 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000794346550 938389986 /nfs/dbraw/zinc/38/99/86/938389986.db2.gz VPRFFRVXPUJEAT-UHFFFAOYSA-N 0 3 357.370 1.543 20 5 FDBDHN CC(COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)[N+](=O)[O-] ZINC000813103552 941326402 /nfs/dbraw/zinc/32/64/02/941326402.db2.gz QHSIVFRFKGZSCX-OHUAYANFSA-N 0 3 355.391 1.332 20 5 FDBDHN CC(COC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107974 941333820 /nfs/dbraw/zinc/33/38/20/941333820.db2.gz SKAQCOWKSBVYOG-NWDGAFQWSA-N 0 3 373.406 1.101 20 5 FDBDHN COc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107763 941333938 /nfs/dbraw/zinc/33/39/38/941333938.db2.gz VYFNJPVWJCWVKT-SNVBAGLBSA-N 0 3 352.372 1.576 20 5 FDBDHN COc1cc(OC)cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108162 941334220 /nfs/dbraw/zinc/33/42/20/941334220.db2.gz BLTVSVICQJSITR-MNOVXSKESA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)Cn1cnc2ccc(Br)cc2c1=O)[N+](=O)[O-] ZINC000813110417 941335330 /nfs/dbraw/zinc/33/53/30/941335330.db2.gz ADGXNJBUNKMOMU-QMMMGPOBSA-N 0 3 370.159 1.367 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813113748 941336242 /nfs/dbraw/zinc/33/62/42/941336242.db2.gz UQDGJCJCGJTYCK-KBPBESRZSA-N 0 3 370.427 1.604 20 5 FDBDHN COc1cccc([C@@H]2[C@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C2CC2)c1 ZINC000813115293 941336748 /nfs/dbraw/zinc/33/67/48/941336748.db2.gz ONZOYZWCPUORLV-UXEPBGEESA-N 0 3 362.382 1.956 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[N+](=O)[O-] ZINC000813115266 941336892 /nfs/dbraw/zinc/33/68/92/941336892.db2.gz OADJDIWKSMIBFH-BDAKNGLRSA-N 0 3 357.344 1.469 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCCN1C ZINC000817131620 942566263 /nfs/dbraw/zinc/56/62/63/942566263.db2.gz HORKMDBGXHPPRF-CYBMUJFWSA-N 0 3 372.447 1.307 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CSCCS2)cc1 ZINC000819140885 943436476 /nfs/dbraw/zinc/43/64/76/943436476.db2.gz FZWPUOSELVGVDY-GFCCVEGCSA-N 0 3 362.498 1.807 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000819336017 943531885 /nfs/dbraw/zinc/53/18/85/943531885.db2.gz BSBATCHGFUYMHY-XJKSGUPXSA-N 0 3 362.407 1.789 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000819825881 943749380 /nfs/dbraw/zinc/74/93/80/943749380.db2.gz YSWHEJUYBOJHDS-HZPDHXFCSA-N 0 3 374.441 1.476 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823994812 946143743 /nfs/dbraw/zinc/14/37/43/946143743.db2.gz ZRCNRFHVDXFOLQ-CYBMUJFWSA-N 0 3 364.450 1.572 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000844528103 948137828 /nfs/dbraw/zinc/13/78/28/948137828.db2.gz HUAPQKLHMXIETO-UHFFFAOYSA-N 0 3 369.809 1.486 20 5 FDBDHN CC([C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872725 950043461 /nfs/dbraw/zinc/04/34/61/950043461.db2.gz MVZMXALGXMQPPD-JTNHKYCSSA-N 0 3 353.350 1.866 20 5 FDBDHN CC([C@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881117 950059683 /nfs/dbraw/zinc/05/96/83/950059683.db2.gz YAWRJQFRBZVOTQ-CABZTGNLSA-N 0 3 362.379 1.403 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC12CC(C)(C1)OC2 ZINC001171511409 961210652 /nfs/dbraw/zinc/21/06/52/961210652.db2.gz VCRPAPLPMXKNPK-UHFFFAOYSA-N 0 3 369.443 1.374 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CN(c3ccncn3)C2)c1F ZINC001173178710 961953757 /nfs/dbraw/zinc/95/37/57/961953757.db2.gz HSSDYWXZZLDXFJ-NSHDSACASA-N 0 3 361.377 1.942 20 5 FDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCN2CCOCC2)CC1 ZINC001173228810 961971226 /nfs/dbraw/zinc/97/12/26/961971226.db2.gz YZLIRPGQZSAWBY-QGZVFWFLSA-N 0 3 362.474 1.476 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC2CC(N(C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000773491557 963156267 /nfs/dbraw/zinc/15/62/67/963156267.db2.gz ZTRULZQJALJPKB-UHFFFAOYSA-N 0 3 371.397 1.272 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(CC)CC1(C)C ZINC001178861017 964535391 /nfs/dbraw/zinc/53/53/91/964535391.db2.gz QETIDBMXRLACNR-OLZOCXBDSA-N 0 3 366.466 1.674 20 5 FDBDHN COCCNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575990 967085033 /nfs/dbraw/zinc/08/50/33/967085033.db2.gz YQCIUOHUKPMGHS-INIZCTEOSA-N 0 3 351.403 1.103 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC000852297450 967195376 /nfs/dbraw/zinc/19/53/76/967195376.db2.gz IKENXUZANDKDJS-UHFFFAOYSA-N 0 3 374.397 1.802 20 5 FDBDHN CN(C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCO1 ZINC000853989952 968504247 /nfs/dbraw/zinc/50/42/47/968504247.db2.gz HQKVUEIDUDAAJH-AWEZNQCLSA-N 0 3 371.459 1.545 20 5 FDBDHN CN1CCN(CC2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000854644355 969050066 /nfs/dbraw/zinc/05/00/66/969050066.db2.gz LYHVDMQWEFNSMY-UHFFFAOYSA-N 0 3 368.384 1.392 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855697352 970622014 /nfs/dbraw/zinc/62/20/14/970622014.db2.gz QCCURDDJYMCIKN-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794578397 973295114 /nfs/dbraw/zinc/29/51/14/973295114.db2.gz ZBIZZTBPSYSOLO-GHMZBOCLSA-N 0 3 354.794 1.691 20 5 FDBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(CC3CCOCC3)CC2)cc1F ZINC000865546487 974352849 /nfs/dbraw/zinc/35/28/49/974352849.db2.gz VSCDFPQQPLOBBF-UHFFFAOYSA-N 0 3 353.394 1.775 20 5 FDBDHN CN1CCN(C2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CC1 ZINC000866211847 975488664 /nfs/dbraw/zinc/48/86/64/975488664.db2.gz NGEFEDXULWOFRU-UHFFFAOYSA-N 0 3 352.410 1.442 20 5 FDBDHN CC(C)Oc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000866211729 975488743 /nfs/dbraw/zinc/48/87/43/975488743.db2.gz KZNMVARSSVIGMT-UHFFFAOYSA-N 0 3 363.462 1.993 20 5 FDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000866296697 975538706 /nfs/dbraw/zinc/53/87/06/975538706.db2.gz DMROTMAMLJHBNQ-IAQYHMDHSA-N 0 3 361.377 1.794 20 5 FDBDHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCN(CC2CC2)CC1 ZINC000848475161 976801366 /nfs/dbraw/zinc/80/13/66/976801366.db2.gz NJWMUOAVEJFYKX-GOSISDBHSA-N 0 3 358.442 1.896 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000849329146 977431319 /nfs/dbraw/zinc/43/13/19/977431319.db2.gz NFVGYDQZMJASNL-OAHLLOKOSA-N 0 3 356.444 1.965 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000849494322 977687621 /nfs/dbraw/zinc/68/76/21/977687621.db2.gz SRCXTTRTKNBMQP-IAGOWNOFSA-N 0 3 369.425 1.953 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849508771 977704048 /nfs/dbraw/zinc/70/40/48/977704048.db2.gz XCZKPJSHOXDPBI-SJORKVTESA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849508770 977704801 /nfs/dbraw/zinc/70/48/01/977704801.db2.gz XCZKPJSHOXDPBI-IRXDYDNUSA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000849547046 977728734 /nfs/dbraw/zinc/72/87/34/977728734.db2.gz DLODHCZJQSKKCZ-GDBMZVCRSA-N 0 3 369.425 1.953 20 5 FDBDHN COc1ccc2ncc([N+](=O)[O-])c(N3CN(CCN(C)C)C(=O)[C@H]3C)c2c1 ZINC000884543177 983234001 /nfs/dbraw/zinc/23/40/01/983234001.db2.gz XIADALPCDWWOMW-GFCCVEGCSA-N 0 3 373.413 1.708 20 5 FDBDHN CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861890575 983976942 /nfs/dbraw/zinc/97/69/42/983976942.db2.gz KLFGTBYANBRVGH-UHFFFAOYSA-N 0 3 363.418 1.659 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885857657 985703629 /nfs/dbraw/zinc/70/36/29/985703629.db2.gz GPPMPVGIGZGRQJ-HNNXBMFYSA-N 0 3 362.430 1.644 20 5 FDBDHN COc1cc(OCC(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871153993 986723763 /nfs/dbraw/zinc/72/37/63/986723763.db2.gz 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COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)c1 ZINC000298338778 990056818 /nfs/dbraw/zinc/05/68/18/990056818.db2.gz ZMVFDQQWYGHTCI-OAHLLOKOSA-N 0 3 359.386 1.812 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000876473725 992641477 /nfs/dbraw/zinc/64/14/77/992641477.db2.gz SBIHVEGKGSKGHH-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000876475899 992649148 /nfs/dbraw/zinc/64/91/48/992649148.db2.gz PMOULYIFYCIBQH-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000469984191 993923913 /nfs/dbraw/zinc/92/39/13/993923913.db2.gz VIHONDHWUINAML-KBPBESRZSA-N 0 3 364.450 1.522 20 5 FDBDHN CN1CC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879579649 995039485 /nfs/dbraw/zinc/03/94/85/995039485.db2.gz APWGHGLYHUVLJF-CZUORRHYSA-N 0 3 353.444 1.395 20 5 FDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889751958 998594455 /nfs/dbraw/zinc/59/44/55/998594455.db2.gz SUTQWANSQWQBII-MHORFTMASA-N 0 3 359.426 1.756 20 5 FDBDHN C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1F ZINC000889763234 998616939 /nfs/dbraw/zinc/61/69/39/998616939.db2.gz RWHHITPQYGWVDJ-VUCTXSBTSA-N 0 3 365.405 1.895 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889764563 998619976 /nfs/dbraw/zinc/61/99/76/998619976.db2.gz XSMPYHOFIOFCRO-IAGOWNOFSA-N 0 3 370.409 1.814 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000270908118 999632279 /nfs/dbraw/zinc/63/22/79/999632279.db2.gz PUGXHKWHAXQYKR-DOMZBBRYSA-N 0 3 355.398 1.993 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932474886 1004977942 /nfs/dbraw/zinc/97/79/42/1004977942.db2.gz OKQVBXKWQNKHOK-QZTJIDSGSA-N 0 3 360.458 1.794 20 5 FDBDHN O=C1NC[C@H](O)CC12CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000932832747 1005204419 /nfs/dbraw/zinc/20/44/19/1005204419.db2.gz OKFXJQWRNZWJQR-CYBMUJFWSA-N 0 3 353.806 1.711 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000933338880 1005541460 /nfs/dbraw/zinc/54/14/60/1005541460.db2.gz ORVNMKYKLJEYCL-UONOGXRCSA-N 0 3 362.430 1.367 20 5 FDBDHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000506618786 538901008 /nfs/dbraw/zinc/90/10/08/538901008.db2.gz VATDXDAUEAWYQW-UHFFFAOYSA-N 0 3 372.385 1.268 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190983924 178034328 /nfs/dbraw/zinc/03/43/28/178034328.db2.gz NSELHEFIQYENPD-INIZCTEOSA-N 0 3 373.413 1.199 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193272368 178154932 /nfs/dbraw/zinc/15/49/32/178154932.db2.gz ZVPSQKDZLGIDPB-SNVBAGLBSA-N 0 3 361.395 1.411 20 5 FDBDHN O=C(C[C@H]1CSCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238082778 178347990 /nfs/dbraw/zinc/34/79/90/178347990.db2.gz XMXQIKHIQUSWER-NEPJUHHUSA-N 0 3 351.432 1.098 20 5 FDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000512850013 538982479 /nfs/dbraw/zinc/98/24/79/538982479.db2.gz HAYJKNYNRZTRLG-SWLSCSKDSA-N 0 3 359.423 1.932 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000265573663 179411491 /nfs/dbraw/zinc/41/14/91/179411491.db2.gz LWRWAGCBKVIQHD-LBPRGKRZSA-N 0 3 352.391 1.425 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268263552 180039134 /nfs/dbraw/zinc/03/91/34/180039134.db2.gz ZRAGIOWZMOMHPQ-WFASDCNBSA-N 0 3 355.398 1.993 20 5 FDBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000268267659 180039922 /nfs/dbraw/zinc/03/99/22/180039922.db2.gz GQCPOWWOFUFHDZ-SNVBAGLBSA-N 0 3 353.375 1.719 20 5 FDBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000273995286 181008646 /nfs/dbraw/zinc/00/86/46/181008646.db2.gz KCPVKCLAKVPPDP-WDEREUQCSA-N 0 3 353.375 1.719 20 5 FDBDHN CC(C)(C)[C@@H](CCO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274129571 181030376 /nfs/dbraw/zinc/03/03/76/181030376.db2.gz BSVSVYXJXQSPFA-CQSZACIVSA-N 0 3 353.375 1.649 20 5 FDBDHN COc1cc(C[NH2+]CCc2cn3c(n2)SCC3)c([N+](=O)[O-])cc1[O-] ZINC000274263403 181058442 /nfs/dbraw/zinc/05/84/42/181058442.db2.gz OCIBASSSZBNAJE-UHFFFAOYSA-N 0 3 350.400 1.944 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[C@H](C)C1 ZINC000530820062 540049783 /nfs/dbraw/zinc/04/97/83/540049783.db2.gz UGIREEFZLHSIRV-WCQYABFASA-N 0 3 352.439 1.285 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530805392 540045355 /nfs/dbraw/zinc/04/53/55/540045355.db2.gz OVZMNNBOWXIVKJ-FQEVSTJZSA-N 0 3 369.421 1.891 20 5 FDBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000275112868 181241713 /nfs/dbraw/zinc/24/17/13/181241713.db2.gz NHXUHTVXIHAIQG-NSHDSACASA-N 0 3 361.320 1.974 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000275328032 181290735 /nfs/dbraw/zinc/29/07/35/181290735.db2.gz YRZPWOPPLGJEIZ-QWHCGFSZSA-N 0 3 373.406 1.648 20 5 FDBDHN COCC1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000535381407 540470010 /nfs/dbraw/zinc/47/00/10/540470010.db2.gz IUEHBLJEWFWCKP-UHFFFAOYSA-N 0 3 365.386 1.366 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000536235213 540570380 /nfs/dbraw/zinc/57/03/80/540570380.db2.gz VGHNXGKGFKYFCZ-UHFFFAOYSA-N 0 3 364.446 1.890 20 5 FDBDHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537044374 540678092 /nfs/dbraw/zinc/67/80/92/540678092.db2.gz HNDSDDLTGYLKIL-OAHLLOKOSA-N 0 3 363.462 1.983 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000538390968 540851815 /nfs/dbraw/zinc/85/18/15/540851815.db2.gz WBELJBGNPTZNEE-GDBMZVCRSA-N 0 3 355.460 1.960 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275507701 181337654 /nfs/dbraw/zinc/33/76/54/181337654.db2.gz SCGFCOMNXFRNHB-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000543495153 541599300 /nfs/dbraw/zinc/59/93/00/541599300.db2.gz VNSAVQQMGPEORN-IAQYHMDHSA-N 0 3 364.402 1.182 20 5 FDBDHN O=C1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282765552 182054006 /nfs/dbraw/zinc/05/40/06/182054006.db2.gz LIKIFFMNVOTFMK-AWEZNQCLSA-N 0 3 367.427 1.159 20 5 FDBDHN CCc1cc(NC[C@@]2(O)CCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545874232 542035056 /nfs/dbraw/zinc/03/50/56/542035056.db2.gz RUVQDMVIYMJYEI-SFHVURJKSA-N 0 3 357.414 1.515 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545881380 542037772 /nfs/dbraw/zinc/03/77/72/542037772.db2.gz AZGWIJUBIAWERX-ZDUSSCGKSA-N 0 3 358.192 1.154 20 5 FDBDHN CN(C)CCN(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000288067324 183384492 /nfs/dbraw/zinc/38/44/92/183384492.db2.gz JEGOHEBWQHRGNJ-UHFFFAOYSA-N 0 3 350.419 1.054 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000288079229 183388273 /nfs/dbraw/zinc/38/82/73/183388273.db2.gz KUPNREHXOCJHLW-UKRRQHHQSA-N 0 3 360.414 1.927 20 5 FDBDHN CON(C)C(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000291967538 183847499 /nfs/dbraw/zinc/84/74/99/183847499.db2.gz VJTPUQBIHYAWHD-HNNXBMFYSA-N 0 3 367.402 1.066 20 5 FDBDHN CC(C)(C(=O)N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295457751 184073367 /nfs/dbraw/zinc/07/33/67/184073367.db2.gz MMFWCXJUZJODGM-ZDUSSCGKSA-N 0 3 367.421 1.975 20 5 FDBDHN C[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000296672443 184189492 /nfs/dbraw/zinc/18/94/92/184189492.db2.gz OXSOABXGWROEGS-CQSZACIVSA-N 0 3 374.445 1.472 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000298122988 184397090 /nfs/dbraw/zinc/39/70/90/184397090.db2.gz NBBJGHBAAUHOJV-UHFFFAOYSA-N 0 3 362.430 1.950 20 5 FDBDHN Nc1nccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000548711355 542760665 /nfs/dbraw/zinc/76/06/65/542760665.db2.gz DIFFIXTXJWZZTO-OAHLLOKOSA-N 0 3 355.398 2.139 20 5 FDBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549204916 542851594 /nfs/dbraw/zinc/85/15/94/542851594.db2.gz UTIIMEPUYCRPHX-UHFFFAOYSA-N 0 3 372.429 1.650 20 5 FDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCCN1CCCCC1 ZINC000549742524 542929073 /nfs/dbraw/zinc/92/90/73/542929073.db2.gz HGWYQURXDNKZDF-LLVKDONJSA-N 0 3 354.432 1.377 20 5 FDBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551498892 543295233 /nfs/dbraw/zinc/29/52/33/543295233.db2.gz LDMLECWVHASVGJ-UHFFFAOYSA-N 0 3 350.419 1.899 20 5 FDBDHN C[C@H]1CN(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090519808 172265782 /nfs/dbraw/zinc/26/57/82/172265782.db2.gz YRCBZTYULDBQIA-JYJNAYRXSA-N 0 3 364.446 1.330 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093065064 172310932 /nfs/dbraw/zinc/31/09/32/172310932.db2.gz FPSPXCCPCTYNBO-UHFFFAOYSA-N 0 3 372.429 1.918 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093064400 172311574 /nfs/dbraw/zinc/31/15/74/172311574.db2.gz MBLLQHCGOGTFDQ-UHFFFAOYSA-N 0 3 358.402 1.528 20 5 FDBDHN Cc1ccc(NCCCNC(=O)NC[C@@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000127973989 173096179 /nfs/dbraw/zinc/09/61/79/173096179.db2.gz WFEYIUSQALKHKP-QGZVFWFLSA-N 0 3 367.450 1.317 20 5 FDBDHN COC(=O)Cn1cc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000130886717 173184259 /nfs/dbraw/zinc/18/42/59/173184259.db2.gz VGKLKCZJDCXXKE-UHFFFAOYSA-N 0 3 359.386 1.566 20 5 FDBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000136705546 173363946 /nfs/dbraw/zinc/36/39/46/173363946.db2.gz BRSXGUXVWAVCFG-UHFFFAOYSA-N 0 3 372.429 1.650 20 5 FDBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136705546 173363947 /nfs/dbraw/zinc/36/39/47/173363947.db2.gz BRSXGUXVWAVCFG-UHFFFAOYSA-N 0 3 372.429 1.650 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000150734233 173378828 /nfs/dbraw/zinc/37/88/28/173378828.db2.gz UXQDAMCFJSGHIF-LLVKDONJSA-N 0 3 352.347 1.201 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000176002027 174044334 /nfs/dbraw/zinc/04/43/34/174044334.db2.gz QSGZSFPOIHCBRN-GOSISDBHSA-N 0 3 360.458 1.766 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000176127032 174053018 /nfs/dbraw/zinc/05/30/18/174053018.db2.gz UVYPOHRQYRYNOL-GOEBONIOSA-N 0 3 357.414 1.961 20 5 FDBDHN CN(C)C(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181507851 174229935 /nfs/dbraw/zinc/22/99/35/174229935.db2.gz NTFPRLPOJZCPIL-AWEZNQCLSA-N 0 3 351.403 1.135 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508641 258352376 /nfs/dbraw/zinc/35/23/76/258352376.db2.gz CBNIDASSZCJKHT-CYBMUJFWSA-N 0 3 358.402 1.632 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508641 258352377 /nfs/dbraw/zinc/35/23/77/258352377.db2.gz CBNIDASSZCJKHT-CYBMUJFWSA-N 0 3 358.402 1.632 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179508641 258352378 /nfs/dbraw/zinc/35/23/78/258352378.db2.gz CBNIDASSZCJKHT-CYBMUJFWSA-N 0 3 358.402 1.632 20 5 FDBDHN COCCN1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173640027 258305799 /nfs/dbraw/zinc/30/57/99/258305799.db2.gz JHVVXMXBLCJZSM-ZDUSSCGKSA-N 0 3 350.419 1.622 20 5 FDBDHN CCN(CCN1CCCCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000553360583 543618129 /nfs/dbraw/zinc/61/81/29/543618129.db2.gz UJVFYMOGGRXKIE-UHFFFAOYSA-N 0 3 370.475 1.945 20 5 FDBDHN O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCCN1C1CC1 ZINC000556787258 544201024 /nfs/dbraw/zinc/20/10/24/544201024.db2.gz FGKVMPMFCNVEGE-MRXNPFEDSA-N 0 3 370.413 1.693 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000556852761 544214448 /nfs/dbraw/zinc/21/44/48/544214448.db2.gz ORSNEJMMDFIEQD-KRWDZBQOSA-N 0 3 361.423 1.996 20 5 FDBDHN CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C2CC2)C1 ZINC000558094944 544383977 /nfs/dbraw/zinc/38/39/77/544383977.db2.gz RDSDRTQIEKLPKR-ZDUSSCGKSA-N 0 3 360.370 1.198 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000558574203 544471141 /nfs/dbraw/zinc/47/11/41/544471141.db2.gz KXOQNEREXLMSIA-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN O=C(C1CCN(C2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558978472 544564083 /nfs/dbraw/zinc/56/40/83/544564083.db2.gz JXJUABLWHSRIKQ-UHFFFAOYSA-N 0 3 359.430 1.513 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301124458 259021488 /nfs/dbraw/zinc/02/14/88/259021488.db2.gz SJLIMHGVKLWRFC-AWEZNQCLSA-N 0 3 352.822 1.991 20 5 FDBDHN O=C(c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301167836 259022429 /nfs/dbraw/zinc/02/24/29/259022429.db2.gz VPQGQILERRLQIZ-INIZCTEOSA-N 0 3 374.441 1.742 20 5 FDBDHN Nc1nc(NCc2ccccc2CN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000301416310 259027785 /nfs/dbraw/zinc/02/77/85/259027785.db2.gz AYJSYFZXGKEGHH-UHFFFAOYSA-N 0 3 358.402 1.536 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301509190 259028996 /nfs/dbraw/zinc/02/89/96/259028996.db2.gz COHDVRCMHCBQLW-ZIAGYGMSSA-N 0 3 350.375 1.929 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301805654 259033882 /nfs/dbraw/zinc/03/38/82/259033882.db2.gz FBMJNWLCLUQMQS-AWEZNQCLSA-N 0 3 363.374 1.422 20 5 FDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](N2CCCC2)C1 ZINC000302090433 259038454 /nfs/dbraw/zinc/03/84/54/259038454.db2.gz LXQQURJDCLNGSE-ZDUSSCGKSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000331710754 259214204 /nfs/dbraw/zinc/21/42/04/259214204.db2.gz KPTCVEIKEZZTMN-XEZPLFJOSA-N 0 3 360.414 1.266 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332109506 259242463 /nfs/dbraw/zinc/24/24/63/259242463.db2.gz GSRRMVOKJMORNZ-STQMWFEESA-N 0 3 350.423 1.134 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332423849 259265893 /nfs/dbraw/zinc/26/58/93/259265893.db2.gz SELZMICPDUQHJF-GFCCVEGCSA-N 0 3 365.434 1.767 20 5 FDBDHN COC(=O)c1cnc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364571695 259761845 /nfs/dbraw/zinc/76/18/45/259761845.db2.gz ACFLANJLQNKDOY-CYBMUJFWSA-N 0 3 350.375 1.442 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000367918985 260110079 /nfs/dbraw/zinc/11/00/79/260110079.db2.gz UCAMSPHDKJMMGP-UHFFFAOYSA-N 0 3 364.402 1.033 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368399061 260177033 /nfs/dbraw/zinc/17/70/33/260177033.db2.gz HSQRDYWXBMZCTR-DZGCQCFKSA-N 0 3 360.414 1.703 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCCC[C@H]2C(=N)NO)c([N+](=O)[O-])c1 ZINC000368523314 260195561 /nfs/dbraw/zinc/19/55/61/260195561.db2.gz DXDKUBIOGZNSSO-ZDUSSCGKSA-N 0 3 365.390 1.743 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368875559 260252965 /nfs/dbraw/zinc/25/29/65/260252965.db2.gz LVSZFWKHIVCCNK-SDNTUTLCSA-N 0 3 363.414 1.453 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368971923 260269980 /nfs/dbraw/zinc/26/99/80/260269980.db2.gz DRKJVVFDHHFIFC-RVSPLBMKSA-N 0 3 360.414 1.818 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN([C@@H](C)CO)CC1 ZINC000368974607 260271424 /nfs/dbraw/zinc/27/14/24/260271424.db2.gz PULOZTPWKLXZHP-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN Cn1cc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369036695 260282406 /nfs/dbraw/zinc/28/24/06/260282406.db2.gz QPEOLIPTMQKKEL-QZTJIDSGSA-N 0 3 371.441 1.948 20 5 FDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369344707 260344963 /nfs/dbraw/zinc/34/49/63/260344963.db2.gz IFPGFHYKSMVAFH-ZNNBYXKUSA-N 0 3 374.441 1.131 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC12CCN(C)CC2 ZINC000374323827 261110896 /nfs/dbraw/zinc/11/08/96/261110896.db2.gz JLXCIPHMAOWMIR-AWEZNQCLSA-N 0 3 374.441 1.800 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374825714 261204656 /nfs/dbraw/zinc/20/46/56/261204656.db2.gz DJJNTOLUAGXUDI-UHFFFAOYSA-N 0 3 354.382 1.501 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375486816 261351192 /nfs/dbraw/zinc/35/11/92/261351192.db2.gz UKTJFTJPYJZHLJ-GFCCVEGCSA-N 0 3 355.822 1.706 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000378457559 262029339 /nfs/dbraw/zinc/02/93/39/262029339.db2.gz WAUPULZVXJORLH-SMDDNHRTSA-N 0 3 362.386 1.095 20 5 FDBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1 ZINC000015131493 518710750 /nfs/dbraw/zinc/71/07/50/518710750.db2.gz STKFEZSIBNAEFD-HNNXBMFYSA-N 0 3 364.427 1.957 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000026936736 519149016 /nfs/dbraw/zinc/14/90/16/519149016.db2.gz CZZZXDKAODIGNP-UHFFFAOYSA-N 0 3 365.386 1.771 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000041668026 519664092 /nfs/dbraw/zinc/66/40/92/519664092.db2.gz MBHZHENIXDWIEU-LBPRGKRZSA-N 0 3 364.402 1.390 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC[C@@H]1C ZINC000046858587 522371587 /nfs/dbraw/zinc/37/15/87/522371587.db2.gz KUDORQLNZJRSNN-UONOGXRCSA-N 0 3 362.430 1.704 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073016072 522449885 /nfs/dbraw/zinc/44/98/85/522449885.db2.gz DLARKXWRWACZQE-CYBMUJFWSA-N 0 3 363.414 1.899 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000061647091 522481874 /nfs/dbraw/zinc/48/18/74/522481874.db2.gz RVMVDIXUCSMEQX-LBPRGKRZSA-N 0 3 374.401 1.110 20 5 FDBDHN CN1CCN(CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063739475 522637610 /nfs/dbraw/zinc/63/76/10/522637610.db2.gz WBVVOUIUCRGUPB-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN CCCCN(C)C(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642408 522950944 /nfs/dbraw/zinc/95/09/44/522950944.db2.gz VFZSAOPOGCURQW-INIZCTEOSA-N 0 3 367.450 1.123 20 5 FDBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075740978 522967364 /nfs/dbraw/zinc/96/73/64/522967364.db2.gz HXHQLZAZXOOCBO-ZFWWWQNUSA-N 0 3 367.450 1.027 20 5 FDBDHN CC(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000052531748 523196078 /nfs/dbraw/zinc/19/60/78/523196078.db2.gz VZUWAOVSIHKRLY-KRWDZBQOSA-N 0 3 371.441 1.990 20 5 FDBDHN Cc1nn(CCC(=O)NC[C@@H](O)CN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000078761840 523648251 /nfs/dbraw/zinc/64/82/51/523648251.db2.gz PLMPUXXIPOBVAQ-OAHLLOKOSA-N 0 3 367.450 1.007 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000068882775 523873916 /nfs/dbraw/zinc/87/39/16/523873916.db2.gz UXRDIVQLPKOINR-AWEZNQCLSA-N 0 3 369.443 1.852 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110609642 524109497 /nfs/dbraw/zinc/10/94/97/524109497.db2.gz VIVWGYNGKUVNOZ-STQMWFEESA-N 0 3 364.402 1.393 20 5 FDBDHN CCN(CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000110702799 524126547 /nfs/dbraw/zinc/12/65/47/524126547.db2.gz JZCAEWVAIXNQOO-ZDUSSCGKSA-N 0 3 364.402 1.393 20 5 FDBDHN CC(C)OCCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081637178 524162609 /nfs/dbraw/zinc/16/26/09/524162609.db2.gz KBOBUSJCWMDXFU-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CC1 ZINC000136904457 524219225 /nfs/dbraw/zinc/21/92/25/524219225.db2.gz HVJJUKFZGXJRCT-UHFFFAOYSA-N 0 3 353.444 1.893 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000121337158 524226051 /nfs/dbraw/zinc/22/60/51/524226051.db2.gz AOELFMZWKYXJSX-UHFFFAOYSA-N 0 3 374.235 1.974 20 5 FDBDHN O=C(C[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000121805472 524368798 /nfs/dbraw/zinc/36/87/98/524368798.db2.gz CWHPLSPCLIPGSW-OCCSQVGLSA-N 0 3 364.427 1.951 20 5 FDBDHN COC1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000122573969 524567323 /nfs/dbraw/zinc/56/73/23/524567323.db2.gz POUKOXXVEOSNPK-UHFFFAOYSA-N 0 3 360.414 1.846 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000151636191 524637383 /nfs/dbraw/zinc/63/73/83/524637383.db2.gz SEIQHCQNDSHKHS-AWEZNQCLSA-N 0 3 363.374 1.246 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000159366978 524654769 /nfs/dbraw/zinc/65/47/69/524654769.db2.gz VRPCVTXTULBAGH-INIZCTEOSA-N 0 3 350.394 1.648 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000159385592 524658340 /nfs/dbraw/zinc/65/83/40/524658340.db2.gz TUBZUJHMJNHSPA-KRWDZBQOSA-N 0 3 362.430 1.388 20 5 FDBDHN COc1cc(C)c(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000174665130 524681734 /nfs/dbraw/zinc/68/17/34/524681734.db2.gz CKRBHBPDNFFSAT-OAHLLOKOSA-N 0 3 364.402 1.610 20 5 FDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCN1CCN(C)CC1 ZINC000174711211 524699819 /nfs/dbraw/zinc/69/98/19/524699819.db2.gz FPSBLYBCWSAOFD-HNNXBMFYSA-N 0 3 363.462 1.491 20 5 FDBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000159846286 524751677 /nfs/dbraw/zinc/75/16/77/524751677.db2.gz MAOCJELHDVZAKK-LSDHHAIUSA-N 0 3 351.403 1.008 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152447543 524889444 /nfs/dbraw/zinc/88/94/44/524889444.db2.gz XFNCXLLVKPMZTJ-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000161117696 525037948 /nfs/dbraw/zinc/03/79/48/525037948.db2.gz YTEKONVNLVVDCG-BZNIZROVSA-N 0 3 358.398 1.895 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000124689863 525054189 /nfs/dbraw/zinc/05/41/89/525054189.db2.gz PXZRELAMSBCIKB-NEPJUHHUSA-N 0 3 374.401 1.264 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCN(CCO)CC2)cc1C ZINC000161402575 525101910 /nfs/dbraw/zinc/10/19/10/525101910.db2.gz FNMKMVMUMNQLEW-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000153230972 525152033 /nfs/dbraw/zinc/15/20/33/525152033.db2.gz VPHMWXUCAWDCNK-CYBMUJFWSA-N 0 3 360.208 1.400 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000125249099 525175080 /nfs/dbraw/zinc/17/50/80/525175080.db2.gz FUJDNSLMQHAORA-UHFFFAOYSA-N 0 3 368.409 1.733 20 5 FDBDHN COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000162401801 525254395 /nfs/dbraw/zinc/25/43/95/525254395.db2.gz BUYKTDQTPVIKAZ-HNNXBMFYSA-N 0 3 362.430 1.342 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000162829195 525323063 /nfs/dbraw/zinc/32/30/63/525323063.db2.gz VXNOIPZKLMSGHC-UHFFFAOYSA-N 0 3 350.419 1.888 20 5 FDBDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000118101676 525444703 /nfs/dbraw/zinc/44/47/03/525444703.db2.gz HMQRSZOKMQGDDN-CYBMUJFWSA-N 0 3 354.794 1.643 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000128460747 525544657 /nfs/dbraw/zinc/54/46/57/525544657.db2.gz WJBMJVKENIEYPY-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FDBDHN CCOc1ccc([C@H](C)NCCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000179419017 525582241 /nfs/dbraw/zinc/58/22/41/525582241.db2.gz AOWQAYILMQRWEQ-AWEZNQCLSA-N 0 3 364.446 1.808 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154657340 525603089 /nfs/dbraw/zinc/60/30/89/525603089.db2.gz VDLQESYUXRKPRA-CQSZACIVSA-N 0 3 366.437 1.666 20 5 FDBDHN COCCN1CCC(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000170670125 525671697 /nfs/dbraw/zinc/67/16/97/525671697.db2.gz OOVZWWNXLBNXNT-UHFFFAOYSA-N 0 3 353.423 1.025 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(CCO)Cc1cccnc1 ZINC000129661236 525678795 /nfs/dbraw/zinc/67/87/95/525678795.db2.gz KCOWMVYRORVEKM-UHFFFAOYSA-N 0 3 372.381 1.782 20 5 FDBDHN NC(=O)CC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000170734622 525693505 /nfs/dbraw/zinc/69/35/05/525693505.db2.gz GBPZTJNESYVDJY-HIFRSBDPSA-N 0 3 351.403 1.312 20 5 FDBDHN CN(C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000180537107 525719832 /nfs/dbraw/zinc/71/98/32/525719832.db2.gz HMIKAEITSQIFGJ-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000106418803 525722582 /nfs/dbraw/zinc/72/25/82/525722582.db2.gz JCMBIZJRFOVLNK-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN CCO[C@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000181613389 525879913 /nfs/dbraw/zinc/87/99/13/525879913.db2.gz IVPHFMPHFHGXHW-GJZGRUSLSA-N 0 3 371.459 1.666 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182032462 526026663 /nfs/dbraw/zinc/02/66/63/526026663.db2.gz XECCQBYWNACSAT-UHFFFAOYSA-N 0 3 373.356 1.773 20 5 FDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109133159 526080517 /nfs/dbraw/zinc/08/05/17/526080517.db2.gz LWTGDVFOSRAGTH-SWLSCSKDSA-N 0 3 356.386 1.205 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000109313141 526107018 /nfs/dbraw/zinc/10/70/18/526107018.db2.gz IHGKCTZPSBQDNR-HNNXBMFYSA-N 0 3 373.417 1.094 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(N2CCSCC2)CCCCC1 ZINC000171948252 526191661 /nfs/dbraw/zinc/19/16/61/526191661.db2.gz ZFVYZNPOCUDWPR-UHFFFAOYSA-N 0 3 367.475 1.659 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000183101166 535920372 /nfs/dbraw/zinc/92/03/72/535920372.db2.gz JSRYRWQOVKJIFP-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183772206 536047430 /nfs/dbraw/zinc/04/74/30/536047430.db2.gz NTEKQOGZTNNJSR-OAHLLOKOSA-N 0 3 370.409 1.674 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2cccc(Br)c2)n1 ZINC000183896279 536064168 /nfs/dbraw/zinc/06/41/68/536064168.db2.gz NFNDKNBTOMUWSF-GFCCVEGCSA-N 0 3 355.192 1.877 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000184207074 536115163 /nfs/dbraw/zinc/11/51/63/536115163.db2.gz VZNXNJVQAKMGGK-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000184653011 536173262 /nfs/dbraw/zinc/17/32/62/536173262.db2.gz IITLQNSRXXNSKL-KRWDZBQOSA-N 0 3 362.474 1.917 20 5 FDBDHN C[C@@H](C(=O)NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184794770 536184375 /nfs/dbraw/zinc/18/43/75/536184375.db2.gz NDZYXSXUBWFPKX-CYBMUJFWSA-N 0 3 352.410 1.591 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184821529 536186008 /nfs/dbraw/zinc/18/60/08/536186008.db2.gz ICDZOQUKZXHGIO-ZYHUDNBSSA-N 0 3 354.794 1.820 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000184826275 536186486 /nfs/dbraw/zinc/18/64/86/536186486.db2.gz GCHLOHOTMKYZNY-ZDUSSCGKSA-N 0 3 361.446 1.917 20 5 FDBDHN Cc1c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000263641725 537049095 /nfs/dbraw/zinc/04/90/95/537049095.db2.gz AQPSEJZVLPXFMF-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN CCOc1ccc([C@H](C)NCC2CN(S(=O)(=O)CC)C2)cc1[N+](=O)[O-] ZINC000190682559 537183088 /nfs/dbraw/zinc/18/30/88/537183088.db2.gz VZABHPREAUDPSM-LBPRGKRZSA-N 0 3 371.459 1.926 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248896228 537219678 /nfs/dbraw/zinc/21/96/78/537219678.db2.gz TXLXOJKNOLADJN-CZUORRHYSA-N 0 3 357.414 1.736 20 5 FDBDHN CN(C)CCN1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193269885 537243672 /nfs/dbraw/zinc/24/36/72/537243672.db2.gz DTRJRVOJZDXQKR-UHFFFAOYSA-N 0 3 363.462 1.762 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000293165593 537372739 /nfs/dbraw/zinc/37/27/39/537372739.db2.gz GAPQAXDIEYCJEI-JKSUJKDBSA-N 0 3 373.413 1.940 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000273046972 537388721 /nfs/dbraw/zinc/38/87/21/537388721.db2.gz IUIZWAICPRVDFY-IUODEOHRSA-N 0 3 360.414 1.232 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000290890121 537453439 /nfs/dbraw/zinc/45/34/39/537453439.db2.gz UTPJKCKNCCDXGM-UHFFFAOYSA-N 0 3 350.419 1.944 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000272138290 537533394 /nfs/dbraw/zinc/53/33/94/537533394.db2.gz YWDMVKGPKYHZJR-STQMWFEESA-N 0 3 357.407 1.947 20 5 FDBDHN Cn1cc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000365654996 537564190 /nfs/dbraw/zinc/56/41/90/537564190.db2.gz SXBDONUFHXQHBC-CJNGLKHVSA-N 0 3 355.398 1.563 20 5 FDBDHN CN1CCC[C@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000294093559 537655766 /nfs/dbraw/zinc/65/57/66/537655766.db2.gz KILDGVZSAHDNPX-SFHVURJKSA-N 0 3 361.398 1.730 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291714265 537665286 /nfs/dbraw/zinc/66/52/86/537665286.db2.gz ITHDYHYLBBWWDN-UYAOXDASSA-N 0 3 372.421 1.971 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1F ZINC000291853505 537684360 /nfs/dbraw/zinc/68/43/60/537684360.db2.gz IEHUXNRRUJQSFI-OAHLLOKOSA-N 0 3 357.407 1.759 20 5 FDBDHN O=C1NC(=O)[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000366477897 537767793 /nfs/dbraw/zinc/76/77/93/537767793.db2.gz BJHDUIXBZVYHTQ-GJZGRUSLSA-N 0 3 355.350 1.949 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000366479760 537768963 /nfs/dbraw/zinc/76/89/63/537768963.db2.gz OFMSZRKPXQCFCF-HNNXBMFYSA-N 0 3 363.414 1.733 20 5 FDBDHN COCCNC(=O)C1(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414198758 537771006 /nfs/dbraw/zinc/77/10/06/537771006.db2.gz CHJMHYXRESBWSI-LBPRGKRZSA-N 0 3 364.402 1.197 20 5 FDBDHN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411995667 537931262 /nfs/dbraw/zinc/93/12/62/537931262.db2.gz QFMFGNLBVPYQIC-PGUXBMHVSA-N 0 3 371.821 1.952 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000419241599 538005720 /nfs/dbraw/zinc/00/57/20/538005720.db2.gz CAVGDDBKKLJOMZ-WFASDCNBSA-N 0 3 362.430 1.714 20 5 FDBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000412669885 538009424 /nfs/dbraw/zinc/00/94/24/538009424.db2.gz ICCBZOADUYBOEQ-GDBMZVCRSA-N 0 3 373.413 1.585 20 5 FDBDHN C[C@H](CO)N1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372737784 538016254 /nfs/dbraw/zinc/01/62/54/538016254.db2.gz IVSAIHFAQGTXDQ-GFCCVEGCSA-N 0 3 370.837 1.575 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000420017395 538188802 /nfs/dbraw/zinc/18/88/02/538188802.db2.gz OLLGJMDEROPPNF-OAHLLOKOSA-N 0 3 361.345 1.629 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000439745215 538195396 /nfs/dbraw/zinc/19/53/96/538195396.db2.gz MXKVWRDXFDYESP-GFCCVEGCSA-N 0 3 366.418 1.779 20 5 FDBDHN NCc1cn([C@@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)nn1 ZINC000420287050 538260575 /nfs/dbraw/zinc/26/05/75/538260575.db2.gz RALQIDIKIRTJDK-SNVBAGLBSA-N 0 3 371.323 1.900 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000441049222 538303434 /nfs/dbraw/zinc/30/34/34/538303434.db2.gz LIDXAWJWWVCGOK-BXUZGUMPSA-N 0 3 364.402 1.341 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000452349920 538377688 /nfs/dbraw/zinc/37/76/88/538377688.db2.gz NNVTXQKGKCFXFU-AWEZNQCLSA-N 0 3 353.444 1.650 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431570088 538408668 /nfs/dbraw/zinc/40/86/68/538408668.db2.gz LHNXLQNVBDJORP-HNNXBMFYSA-N 0 3 364.446 1.424 20 5 FDBDHN COc1cc(CCNC(=O)[C@H](C(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000494823889 538593071 /nfs/dbraw/zinc/59/30/71/538593071.db2.gz KKCPZWKTNGQYNP-INIZCTEOSA-N 0 3 353.419 1.857 20 5 FDBDHN CN(C)C1(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000454768828 538598883 /nfs/dbraw/zinc/59/88/83/538598883.db2.gz IXRUSCHTIIQTPT-UHFFFAOYSA-N 0 3 369.443 1.603 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000501706039 538693964 /nfs/dbraw/zinc/69/39/64/538693964.db2.gz WEIWDIPKZDIBOS-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN COC(=O)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000497726360 538782823 /nfs/dbraw/zinc/78/28/23/538782823.db2.gz AVQWLDBPVOVGIW-OAHLLOKOSA-N 0 3 352.387 1.610 20 5 FDBDHN O=c1ccccn1C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000503266977 538793801 /nfs/dbraw/zinc/79/38/01/538793801.db2.gz VGPKBBKSCPIJJM-MRXNPFEDSA-N 0 3 353.382 1.984 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000469929838 538820281 /nfs/dbraw/zinc/82/02/81/538820281.db2.gz SIQSBIGZUJNMMA-MRXNPFEDSA-N 0 3 365.434 1.285 20 5 FDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000561012821 545654042 /nfs/dbraw/zinc/65/40/42/545654042.db2.gz PTXCPCNGULGTST-GFCCVEGCSA-N 0 3 350.419 1.366 20 5 FDBDHN CNc1nccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000561316339 545800356 /nfs/dbraw/zinc/80/03/56/545800356.db2.gz RWAPPCMXUCBFND-BBRMVZONSA-N 0 3 369.425 2.282 20 5 FDBDHN CN1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000562400939 546124739 /nfs/dbraw/zinc/12/47/39/546124739.db2.gz SHGADPRQHMTFOT-INIZCTEOSA-N 0 3 372.429 1.427 20 5 FDBDHN C[C@H]1OCC[C@@]1(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000562503572 546160343 /nfs/dbraw/zinc/16/03/43/546160343.db2.gz RRXUQRRQABESIW-CRAIPNDOSA-N 0 3 360.414 1.833 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3cn[nH]c32)cc1 ZINC000562996478 546347533 /nfs/dbraw/zinc/34/75/33/546347533.db2.gz JXZQIZWNGYEWKK-AWEZNQCLSA-N 0 3 350.400 1.759 20 5 FDBDHN O=C(NCCCNCc1cccnc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563145966 546423826 /nfs/dbraw/zinc/42/38/26/546423826.db2.gz FYZHPAYXCRXYNL-UHFFFAOYSA-N 0 3 358.354 1.628 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000564956834 547128358 /nfs/dbraw/zinc/12/83/58/547128358.db2.gz WINDPYIHGUCURT-CYBMUJFWSA-N 0 3 360.374 1.131 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000564977345 547138941 /nfs/dbraw/zinc/13/89/41/547138941.db2.gz ZVPKTSTYLAWFCH-CVEARBPZSA-N 0 3 364.373 1.667 20 5 FDBDHN CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000564987978 547147382 /nfs/dbraw/zinc/14/73/82/547147382.db2.gz JJTJTUGVSFDEKA-NSHDSACASA-N 0 3 358.851 1.442 20 5 FDBDHN CCN1CCCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566063563 547584827 /nfs/dbraw/zinc/58/48/27/547584827.db2.gz BKTAPKSTDAAVOE-HNNXBMFYSA-N 0 3 355.460 1.833 20 5 FDBDHN CC(C)(C)N1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000566111036 547609299 /nfs/dbraw/zinc/60/92/99/547609299.db2.gz WOBYFOKMFOGGGL-STQMWFEESA-N 0 3 351.403 1.324 20 5 FDBDHN O=C1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000566473433 547774164 /nfs/dbraw/zinc/77/41/64/547774164.db2.gz AVHBICDNYCMMFX-RHSMWYFYSA-N 0 3 374.441 1.105 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccc(O)c2)cc1 ZINC000567042796 547974294 /nfs/dbraw/zinc/97/42/94/547974294.db2.gz XARHCJOINVWYLS-UHFFFAOYSA-N 0 3 350.396 1.906 20 5 FDBDHN O=c1[nH]c2ccccc2n1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567682980 548211443 /nfs/dbraw/zinc/21/14/43/548211443.db2.gz DIUWLDBGVWVWFZ-AWEZNQCLSA-N 0 3 372.381 1.680 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000569803142 549053312 /nfs/dbraw/zinc/05/33/12/549053312.db2.gz DNWHXMROKSVWQB-BRWVUGGUSA-N 0 3 364.377 1.801 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570377528 549256870 /nfs/dbraw/zinc/25/68/70/549256870.db2.gz IZCSPXHLGDMHHE-AWEZNQCLSA-N 0 3 374.441 1.280 20 5 FDBDHN CCCN1CCC[C@@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000571929525 549804617 /nfs/dbraw/zinc/80/46/17/549804617.db2.gz LDUSZPRIDUVPGG-MRXNPFEDSA-N 0 3 372.429 1.941 20 5 FDBDHN CCOc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1OC ZINC000572114453 549845080 /nfs/dbraw/zinc/84/50/80/549845080.db2.gz VBOYDGZKIVIZKK-AWEZNQCLSA-N 0 3 350.375 1.349 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OCCO)CC1 ZINC000573746597 550204283 /nfs/dbraw/zinc/20/42/83/550204283.db2.gz USJSEHSFIVMMQN-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000575934336 550492665 /nfs/dbraw/zinc/49/26/65/550492665.db2.gz KCBOUQUSJHTMBH-NSHDSACASA-N 0 3 368.459 1.503 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000576812951 550588596 /nfs/dbraw/zinc/58/85/96/550588596.db2.gz AVQILSUKQCLLOL-AWEZNQCLSA-N 0 3 360.349 1.267 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000577297739 550641999 /nfs/dbraw/zinc/64/19/99/550641999.db2.gz DKMWTPOIDKCYNL-BMGDILEWSA-N 0 3 374.441 1.794 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCNCC1 ZINC000579100254 550835397 /nfs/dbraw/zinc/83/53/97/550835397.db2.gz VIMIUFGGRAXOJI-ZDUSSCGKSA-N 0 3 352.460 1.487 20 5 FDBDHN CC(C)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000579290356 550856208 /nfs/dbraw/zinc/85/62/08/550856208.db2.gz PBGNFBXJYIBQBX-XBFCOCLRSA-N 0 3 366.336 1.872 20 5 FDBDHN CC1CCN(c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000580184608 550952248 /nfs/dbraw/zinc/95/22/48/550952248.db2.gz KZNSJUNDSVOUME-QGZVFWFLSA-N 0 3 374.445 1.573 20 5 FDBDHN CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000581021509 551043947 /nfs/dbraw/zinc/04/39/47/551043947.db2.gz SZKOSTCLZFOEOK-RYUDHWBXSA-N 0 3 351.432 1.224 20 5 FDBDHN CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000581088422 551050897 /nfs/dbraw/zinc/05/08/97/551050897.db2.gz CJZYGFLSHLXNJZ-ZIAGYGMSSA-N 0 3 350.444 1.710 20 5 FDBDHN CC(C)(C)NS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581290073 551072269 /nfs/dbraw/zinc/07/22/69/551072269.db2.gz SCTDPMVWFOSAEO-OLZOCXBDSA-N 0 3 373.479 1.583 20 5 FDBDHN O=C1CCCN1Cc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583688283 551387429 /nfs/dbraw/zinc/38/74/29/551387429.db2.gz BGSTUFPNEJNOJQ-KRWDZBQOSA-N 0 3 373.413 1.064 20 5 FDBDHN CN1CCN(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1(C)C ZINC000584699068 551531826 /nfs/dbraw/zinc/53/18/26/551531826.db2.gz KRAXVBFIMGYPDZ-UHFFFAOYSA-N 0 3 360.418 1.682 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000588258607 551662812 /nfs/dbraw/zinc/66/28/12/551662812.db2.gz VWVDLGFBOBYFHD-HNNXBMFYSA-N 0 3 362.430 1.510 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588869282 551695171 /nfs/dbraw/zinc/69/51/71/551695171.db2.gz KDJIZZQBUPLXTE-NSHDSACASA-N 0 3 360.370 1.035 20 5 FDBDHN CN(C)CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000589196184 551716763 /nfs/dbraw/zinc/71/67/63/551716763.db2.gz IYSZXLSJDDJQFJ-HNNXBMFYSA-N 0 3 365.430 1.909 20 5 FDBDHN Nc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000590146234 551762321 /nfs/dbraw/zinc/76/23/21/551762321.db2.gz QBGXQACPBMQHHV-QGZVFWFLSA-N 0 3 372.425 1.500 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)[C@@H]2C1 ZINC000590442865 551784653 /nfs/dbraw/zinc/78/46/53/551784653.db2.gz HOBAHEWYJHVXMQ-GXFFZTMASA-N 0 3 374.426 1.640 20 5 FDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590445064 551785261 /nfs/dbraw/zinc/78/52/61/551785261.db2.gz MTCDYLIPXFDJFF-JOYOIKCWSA-N 0 3 371.340 1.981 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566273 551792968 /nfs/dbraw/zinc/79/29/68/551792968.db2.gz XFTWXKIGSUSPPY-ROUUACIJSA-N 0 3 372.425 1.940 20 5 FDBDHN CN(CC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000590565337 551793081 /nfs/dbraw/zinc/79/30/81/551793081.db2.gz KXTHBOLOHSMDRG-NVXWUHKLSA-N 0 3 362.430 1.353 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000590753048 551812371 /nfs/dbraw/zinc/81/23/71/551812371.db2.gz ZJULJRIBAWMUFU-UHTWSYAYSA-N 0 3 365.386 1.862 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000591063112 551840732 /nfs/dbraw/zinc/84/07/32/551840732.db2.gz QWRUMQSRQCYOEH-GBESFXJTSA-N 0 3 372.469 1.937 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000591063111 551840787 /nfs/dbraw/zinc/84/07/87/551840787.db2.gz QWRUMQSRQCYOEH-CEXWTWQISA-N 0 3 372.469 1.937 20 5 FDBDHN O=C1CCCN1c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591726113 551903996 /nfs/dbraw/zinc/90/39/96/551903996.db2.gz QUHNBLKUKIZBLP-MRXNPFEDSA-N 0 3 359.386 1.069 20 5 FDBDHN COc1cccc2c1OC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000591733880 551904923 /nfs/dbraw/zinc/90/49/23/551904923.db2.gz YSBPYEAORYGHNF-GJZGRUSLSA-N 0 3 374.393 1.936 20 5 FDBDHN CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000591754093 551906067 /nfs/dbraw/zinc/90/60/67/551906067.db2.gz BEOTXLUNPMRUKC-IUODEOHRSA-N 0 3 354.794 1.783 20 5 FDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592365758 551984987 /nfs/dbraw/zinc/98/49/87/551984987.db2.gz ADQVIPDZNCYBJD-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN CCCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(C)C1 ZINC000592832140 552033324 /nfs/dbraw/zinc/03/33/24/552033324.db2.gz RGUROMWNERDSKM-HNNXBMFYSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593069774 552058101 /nfs/dbraw/zinc/05/81/01/552058101.db2.gz UNRGUEHEQIUKRP-RTBURBONSA-N 0 3 371.441 1.767 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000593234039 552075186 /nfs/dbraw/zinc/07/51/86/552075186.db2.gz BVHLBBPSVUVYJB-UHFFFAOYSA-N 0 3 360.370 1.187 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593460999 552112157 /nfs/dbraw/zinc/11/21/57/552112157.db2.gz FQIHFTACMDEASX-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN Nc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593495350 552117383 /nfs/dbraw/zinc/11/73/83/552117383.db2.gz DMMYEUCRTNEMHH-JKSUJKDBSA-N 0 3 370.413 1.447 20 5 FDBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027104 552240902 /nfs/dbraw/zinc/24/09/02/552240902.db2.gz MEZPUVXSMMOAEU-TUKIKUTGSA-N 0 3 359.386 1.457 20 5 FDBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594760042 552374068 /nfs/dbraw/zinc/37/40/68/552374068.db2.gz RIGAMWOWYZOINC-LLVKDONJSA-N 0 3 352.416 1.762 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594986874 552432831 /nfs/dbraw/zinc/43/28/31/552432831.db2.gz IQEXAUQIHZUGEM-HUUCEWRRSA-N 0 3 350.371 1.540 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595191759 552484841 /nfs/dbraw/zinc/48/48/41/552484841.db2.gz BSQTVDDJTOUKKV-NSHDSACASA-N 0 3 350.375 1.142 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000595522141 552578351 /nfs/dbraw/zinc/57/83/51/552578351.db2.gz IUMWFARVSXDAOO-INIZCTEOSA-N 0 3 362.430 1.690 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595636344 552596254 /nfs/dbraw/zinc/59/62/54/552596254.db2.gz XOHFZQUHQMWEGJ-YSVLISHTSA-N 0 3 365.430 1.997 20 5 FDBDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595823047 552619741 /nfs/dbraw/zinc/61/97/41/552619741.db2.gz DZROIYCIZLYYJJ-CYBMUJFWSA-N 0 3 363.418 1.611 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c1C ZINC000596049265 552649762 /nfs/dbraw/zinc/64/97/62/552649762.db2.gz CRYRCCYUANXYKY-NSHDSACASA-N 0 3 355.338 1.722 20 5 FDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000596051862 552650099 /nfs/dbraw/zinc/65/00/99/552650099.db2.gz PUROPPPIVLCFPL-SECBINFHSA-N 0 3 361.729 1.758 20 5 FDBDHN NC(=O)c1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000596074469 552652824 /nfs/dbraw/zinc/65/28/24/552652824.db2.gz GJEGYBIGRWTDLX-MRXNPFEDSA-N 0 3 370.409 1.525 20 5 FDBDHN COC(=O)COc1ccc(CN(C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000597250977 552765671 /nfs/dbraw/zinc/76/56/71/552765671.db2.gz FVPABMVLVILCDB-UHFFFAOYSA-N 0 3 368.386 1.120 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597694060 552823189 /nfs/dbraw/zinc/82/31/89/552823189.db2.gz IROBTIPCDTYFFI-CVEARBPZSA-N 0 3 369.368 1.737 20 5 FDBDHN CCOc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597695072 552823384 /nfs/dbraw/zinc/82/33/84/552823384.db2.gz POVPDHOJKIZWIX-ZBFHGGJFSA-N 0 3 363.414 1.929 20 5 FDBDHN CCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597943890 552849143 /nfs/dbraw/zinc/84/91/43/552849143.db2.gz AKSHVFQCECHZKY-CYBMUJFWSA-N 0 3 374.397 1.414 20 5 FDBDHN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598040091 552859523 /nfs/dbraw/zinc/85/95/23/552859523.db2.gz CFNUBMQCBZHYDK-CQSZACIVSA-N 0 3 358.402 1.732 20 5 FDBDHN CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598042546 552859959 /nfs/dbraw/zinc/85/99/59/552859959.db2.gz PMXYCKHBSYLYFL-XJKSGUPXSA-N 0 3 362.430 1.656 20 5 FDBDHN COC(=O)c1ccnc(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000598595538 552913151 /nfs/dbraw/zinc/91/31/51/552913151.db2.gz IVPOHHYSWFTOMU-UHFFFAOYSA-N 0 3 352.391 1.323 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893740 552940316 /nfs/dbraw/zinc/94/03/16/552940316.db2.gz DHGDWAAJXPPVDV-ZDUSSCGKSA-N 0 3 363.418 1.707 20 5 FDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599111574 552969369 /nfs/dbraw/zinc/96/93/69/552969369.db2.gz KKADJJUNTYMHQL-OIBJUYFYSA-N 0 3 353.322 1.642 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217463 552989730 /nfs/dbraw/zinc/98/97/30/552989730.db2.gz FWSWOQNTFFAXJR-XQQFMLRXSA-N 0 3 371.463 1.354 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599412213 553050739 /nfs/dbraw/zinc/05/07/39/553050739.db2.gz HLDLOMGEFDEURU-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599609887 553102583 /nfs/dbraw/zinc/10/25/83/553102583.db2.gz LOOYDIPFDCZVTQ-UHFFFAOYSA-N 0 3 372.219 1.544 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470786 553273435 /nfs/dbraw/zinc/27/34/35/553273435.db2.gz ILAWCQXXJLPAAM-CXAGYDPISA-N 0 3 374.441 1.846 20 5 FDBDHN Cn1c(=O)oc2ccc(CNC[C@H](O)COc3cccc([N+](=O)[O-])c3)cc21 ZINC000600754186 553311578 /nfs/dbraw/zinc/31/15/78/553311578.db2.gz FEMWFVHYNZTLNC-AWEZNQCLSA-N 0 3 373.365 1.569 20 5 FDBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600753305 553311596 /nfs/dbraw/zinc/31/15/96/553311596.db2.gz AQMWKLNORQOCTC-SUMWQHHRSA-N 0 3 371.393 1.751 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601145650 553352709 /nfs/dbraw/zinc/35/27/09/553352709.db2.gz ZJNDYUZPYNKAEN-JTQLQIEISA-N 0 3 364.372 1.785 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000601170697 553355869 /nfs/dbraw/zinc/35/58/69/553355869.db2.gz UTZXZUBJPFEFRS-VIFPVBQESA-N 0 3 351.329 1.606 20 5 FDBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000602873478 553656699 /nfs/dbraw/zinc/65/66/99/553656699.db2.gz JHCCUDMLRCSFIQ-NVXWUHKLSA-N 0 3 351.447 1.997 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000602909102 553666338 /nfs/dbraw/zinc/66/63/38/553666338.db2.gz ZIYQHZWVZJPBCT-INIZCTEOSA-N 0 3 364.446 1.332 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC3(C2)CCN(C)CC3)c([N+](=O)[O-])c1 ZINC000603382463 553776403 /nfs/dbraw/zinc/77/64/03/553776403.db2.gz LKVGLADZIGPMMR-UHFFFAOYSA-N 0 3 369.443 1.710 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603404376 553780886 /nfs/dbraw/zinc/78/08/86/553780886.db2.gz ZXMKMWVNOHXIER-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000603854331 553821071 /nfs/dbraw/zinc/82/10/71/553821071.db2.gz VXGTUENGENUCPJ-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609517590 554386181 /nfs/dbraw/zinc/38/61/81/554386181.db2.gz AVCJCNFUORDINM-QWHCGFSZSA-N 0 3 364.402 1.345 20 5 FDBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1OCC(=O)NC ZINC000611380027 554629831 /nfs/dbraw/zinc/62/98/31/554629831.db2.gz QBMAZHWIABYPEJ-OAHLLOKOSA-N 0 3 361.402 1.657 20 5 FDBDHN O=C(CNC1(CO)CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000611463024 554635843 /nfs/dbraw/zinc/63/58/43/554635843.db2.gz NBEQPDMZUHUTNJ-UHFFFAOYSA-N 0 3 351.359 1.547 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2ccncc2)CC1 ZINC000612092728 554733189 /nfs/dbraw/zinc/73/31/89/554733189.db2.gz KZRKNELQNVYPGU-MRXNPFEDSA-N 0 3 358.398 1.552 20 5 FDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000612576186 554808937 /nfs/dbraw/zinc/80/89/37/554808937.db2.gz SNBTYXWBQDPAQL-ZDUSSCGKSA-N 0 3 355.460 1.688 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000612613243 554815261 /nfs/dbraw/zinc/81/52/61/554815261.db2.gz QQXAEOUOHSLPMF-AWEZNQCLSA-N 0 3 365.409 1.978 20 5 FDBDHN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000616071308 555267641 /nfs/dbraw/zinc/26/76/41/555267641.db2.gz KYRSUBSZKVBNEF-CYBMUJFWSA-N 0 3 356.448 1.779 20 5 FDBDHN C[C@@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617731436 555497668 /nfs/dbraw/zinc/49/76/68/555497668.db2.gz ATXCOUYZSDXYKQ-QAPCUYQASA-N 0 3 360.458 1.937 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000618923372 555696628 /nfs/dbraw/zinc/69/66/28/555696628.db2.gz HLMXKPVLSVJWGU-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272152009 674417668 /nfs/dbraw/zinc/41/76/68/674417668.db2.gz XQLZOBLTNCDCJU-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272283458 674428136 /nfs/dbraw/zinc/42/81/36/674428136.db2.gz DTKAWFFTVUYIOG-CQSZACIVSA-N 0 3 370.837 1.811 20 5 FDBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227026 598498698 /nfs/dbraw/zinc/49/86/98/598498698.db2.gz YMPVNGIMEZSQAI-IJLUTSLNSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227026 598498700 /nfs/dbraw/zinc/49/87/00/598498700.db2.gz YMPVNGIMEZSQAI-IJLUTSLNSA-N 0 3 360.422 1.948 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272556772 674456226 /nfs/dbraw/zinc/45/62/26/674456226.db2.gz RRHMXQBUSSRMJK-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN C[NH+](C)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736765638 599299426 /nfs/dbraw/zinc/29/94/26/599299426.db2.gz ZGDZDAREFZOJLS-NSHDSACASA-N 0 3 354.374 1.463 20 5 FDBDHN C[NH+](C)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736765638 599299428 /nfs/dbraw/zinc/29/94/28/599299428.db2.gz ZGDZDAREFZOJLS-NSHDSACASA-N 0 3 354.374 1.463 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccc(Br)cc2)n1 ZINC000273142551 674510686 /nfs/dbraw/zinc/51/06/86/674510686.db2.gz UULADTZJCASSQM-LBPRGKRZSA-N 0 3 355.192 1.877 20 5 FDBDHN COc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000277844481 675052220 /nfs/dbraw/zinc/05/22/20/675052220.db2.gz MDHODYVCINKGQA-ZDUSSCGKSA-N 0 3 353.419 1.900 20 5 FDBDHN COc1cc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000277844481 675052224 /nfs/dbraw/zinc/05/22/24/675052224.db2.gz MDHODYVCINKGQA-ZDUSSCGKSA-N 0 3 353.419 1.900 20 5 FDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCC1=O ZINC000128633127 671778772 /nfs/dbraw/zinc/77/87/72/671778772.db2.gz GGWDBNZVHRABFL-UHFFFAOYSA-N 0 3 352.366 1.617 20 5 FDBDHN COCCN1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000194348018 672383674 /nfs/dbraw/zinc/38/36/74/672383674.db2.gz RFKIOGPPSHIGKV-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN COCCOC[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266619129 673160136 /nfs/dbraw/zinc/16/01/36/673160136.db2.gz YZEOYRQVQJGWKI-CQSZACIVSA-N 0 3 354.403 1.967 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000363635485 676966593 /nfs/dbraw/zinc/96/65/93/676966593.db2.gz XNORLUFZZDLSTR-UHFFFAOYSA-N 0 3 354.382 1.501 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372110501 677844883 /nfs/dbraw/zinc/84/48/83/677844883.db2.gz FGPGXBLBRJBVOI-LLVKDONJSA-N 0 3 355.341 1.856 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412085310 679153955 /nfs/dbraw/zinc/15/39/55/679153955.db2.gz UKEKKFGTWGTKGP-STQMWFEESA-N 0 3 370.427 1.173 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419821568 680364034 /nfs/dbraw/zinc/36/40/34/680364034.db2.gz OSBSDFFINAZKRU-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCNC[C@](C)(F)C1 ZINC000420325779 680431718 /nfs/dbraw/zinc/43/17/18/680431718.db2.gz BUOBXUFSGZRBNZ-BZNIZROVSA-N 0 3 354.382 1.564 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420328601 680432186 /nfs/dbraw/zinc/43/21/86/680432186.db2.gz HSLGGWUUEJBPMU-MEDUHNTESA-N 0 3 354.382 1.564 20 5 FDBDHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)F ZINC000420460609 680463455 /nfs/dbraw/zinc/46/34/55/680463455.db2.gz LFRUXJGQWFNONV-SECBINFHSA-N 0 3 360.342 1.404 20 5 FDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420462836 680465070 /nfs/dbraw/zinc/46/50/70/680465070.db2.gz HZMKRYWHBJIUKV-MRVPVSSYSA-N 0 3 352.210 1.373 20 5 FDBDHN CCN(CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(C)C ZINC000444170157 682386356 /nfs/dbraw/zinc/38/63/56/682386356.db2.gz RNOGYUIOBVXIHI-UHFFFAOYSA-N 0 3 363.411 1.751 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475113430 685560343 /nfs/dbraw/zinc/56/03/43/685560343.db2.gz UPRMSHPATYSQLE-GUTXKFCHSA-N 0 3 350.371 1.349 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000451440951 682880836 /nfs/dbraw/zinc/88/08/36/682880836.db2.gz XTXPJHWOIIFGBN-HNNXBMFYSA-N 0 3 359.329 1.634 20 5 FDBDHN COc1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000452088024 683021745 /nfs/dbraw/zinc/02/17/45/683021745.db2.gz RCVZESCHZQFMOY-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475700484 685629174 /nfs/dbraw/zinc/62/91/74/685629174.db2.gz JMXSWYIORHQRTK-TZMCWYRMSA-N 0 3 352.387 1.882 20 5 FDBDHN CNc1nc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000456014178 683557409 /nfs/dbraw/zinc/55/74/09/683557409.db2.gz WNNSKKLBZPXUPJ-ZIAGYGMSSA-N 0 3 365.459 1.683 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000480082085 686126732 /nfs/dbraw/zinc/12/67/32/686126732.db2.gz GZIPLAMXMDSRLS-DZGCQCFKSA-N 0 3 350.467 1.582 20 5 FDBDHN CCN(CC)CCN(CC(C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000491823365 687156576 /nfs/dbraw/zinc/15/65/76/687156576.db2.gz AATMWPSLMOWHAP-UHFFFAOYSA-N 0 3 352.435 1.583 20 5 FDBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525601567 694630441 /nfs/dbraw/zinc/63/04/41/694630441.db2.gz LSGSOLXOGOSRDK-BETUJISGSA-N 0 3 356.448 1.636 20 5 FDBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525601567 694630446 /nfs/dbraw/zinc/63/04/46/694630446.db2.gz LSGSOLXOGOSRDK-BETUJISGSA-N 0 3 356.448 1.636 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000478460262 782711865 /nfs/dbraw/zinc/71/18/65/782711865.db2.gz IRZPYWZJAQHTBA-UHFFFAOYSA-N 0 3 357.370 1.543 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261663286 774324351 /nfs/dbraw/zinc/32/43/51/774324351.db2.gz BEWLEYGSXYWVTC-HNNXBMFYSA-N 0 3 358.402 1.222 20 5 FDBDHN C[C@]1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892787912 791231666 /nfs/dbraw/zinc/23/16/66/791231666.db2.gz CGDUYFDWQHWRHA-SFHVURJKSA-N 0 3 355.398 1.995 20 5 FDBDHN CN1CCO[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000432042663 796259006 /nfs/dbraw/zinc/25/90/06/796259006.db2.gz XQALXWSGJWRHEF-WBVHZDCISA-N 0 3 358.398 1.807 20 5 FDBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOC2(CNC2)C1 ZINC000663486110 807165300 /nfs/dbraw/zinc/16/53/00/807165300.db2.gz UEOHOJSRLPCFPW-UHFFFAOYSA-N 0 3 363.417 1.356 20 5 FDBDHN Cc1nc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)sc1C ZINC000981764695 808450499 /nfs/dbraw/zinc/45/04/99/808450499.db2.gz YTQQEXJTMKVXBV-ZIAGYGMSSA-N 0 3 364.471 1.850 20 5 FDBDHN NCc1cn([C@H]2CCCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)nn1 ZINC000420272287 813582721 /nfs/dbraw/zinc/58/27/21/813582721.db2.gz CBEXOYCFAYWAIZ-AWEZNQCLSA-N 0 3 370.373 1.537 20 5 FDBDHN COC(=O)c1cc(N2CCN(C)C[C@@H](C(=O)OC)C2)cc(C)c1[N+](=O)[O-] ZINC000413503347 813900578 /nfs/dbraw/zinc/90/05/78/813900578.db2.gz RWZNBDSLORJLKO-GFCCVEGCSA-N 0 3 365.386 1.231 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)CCN1 ZINC000517026956 817174465 /nfs/dbraw/zinc/17/44/65/817174465.db2.gz KBSFZMXNUSSQJW-OAHLLOKOSA-N 0 3 373.457 1.659 20 5 FDBDHN O=C(N[C@H]1C[C@H](CNCc2nc(-c3ccccc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658095 818433226 /nfs/dbraw/zinc/43/32/26/818433226.db2.gz PNCPHQDMQYQTTC-NMFUWQPSSA-N 0 3 371.397 1.386 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000522272090 822306067 /nfs/dbraw/zinc/30/60/67/822306067.db2.gz BOJHJPUSXXDMTK-UHFFFAOYSA-N 0 3 371.441 1.611 20 5 FDBDHN CN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000896629046 824740969 /nfs/dbraw/zinc/74/09/69/824740969.db2.gz FSNGAGBJABLICE-MRXNPFEDSA-N 0 3 370.413 1.543 20 5 FDBDHN C[C@@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000522682607 825735620 /nfs/dbraw/zinc/73/56/20/825735620.db2.gz UORHDGYXEUABND-CZUORRHYSA-N 0 3 370.413 1.970 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440503336 828161076 /nfs/dbraw/zinc/16/10/76/828161076.db2.gz IFXZGTWMFQFLTA-LJQANCHMSA-N 0 3 370.409 1.665 20 5 FDBDHN Cn1ccnc1[C@H](NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000449387413 829479673 /nfs/dbraw/zinc/47/96/73/829479673.db2.gz LNIMGKNUXUNRBN-QZTJIDSGSA-N 0 3 373.457 1.854 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946706799 881438382 /nfs/dbraw/zinc/43/83/82/881438382.db2.gz OGLVZCDCYKGVFT-CHWSQXEVSA-N 0 3 363.418 1.228 20 5 FDBDHN COCCN1CC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535228909 867509404 /nfs/dbraw/zinc/50/94/04/867509404.db2.gz FOVMBMVLHSWACA-HNNXBMFYSA-N 0 3 357.414 1.915 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000916967284 882736069 /nfs/dbraw/zinc/73/60/69/882736069.db2.gz VRECSTSNNJILHT-BBWFWOEESA-N 0 3 368.336 1.591 20 5 FDBDHN Cc1nc(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c(C)c1Br ZINC001168740766 881256219 /nfs/dbraw/zinc/25/62/19/881256219.db2.gz ODGCNVVWJYKZOR-UHFFFAOYSA-N 0 3 371.239 1.963 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918352538 884353821 /nfs/dbraw/zinc/35/38/21/884353821.db2.gz VUNHUBASINWKJI-IYBDPMFKSA-N 0 3 353.444 1.698 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000498944251 886053757 /nfs/dbraw/zinc/05/37/57/886053757.db2.gz ZSCVLXAWOLAEGH-NWDGAFQWSA-N 0 3 364.402 1.677 20 5 FDBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429306994 887919915 /nfs/dbraw/zinc/91/99/15/887919915.db2.gz HIKOISUDSKYOND-CQSZACIVSA-N 0 3 353.378 1.947 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000923311472 888880237 /nfs/dbraw/zinc/88/02/37/888880237.db2.gz NGYLPTAKXFQEKA-GOEBONIOSA-N 0 3 360.414 1.410 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000364407747 889469497 /nfs/dbraw/zinc/46/94/97/889469497.db2.gz PXRXXASGVPRDAX-UHFFFAOYSA-N 0 3 373.461 2.094 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000142474718 890156195 /nfs/dbraw/zinc/15/61/95/890156195.db2.gz MINOJNFMEHNMNA-UHFFFAOYSA-N 0 3 350.419 1.501 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000804349933 929177872 /nfs/dbraw/zinc/17/78/72/929177872.db2.gz RENPCLHUMZMGPD-CYBMUJFWSA-N 0 3 364.402 1.832 20 5 FDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785799967 931626528 /nfs/dbraw/zinc/62/65/28/931626528.db2.gz KLKBYEYYRISGKR-KGLIPLIRSA-N 0 3 362.386 1.827 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786776426 932029397 /nfs/dbraw/zinc/02/93/97/932029397.db2.gz DSUTUGMQEUXZNP-QWHCGFSZSA-N 0 3 355.416 1.273 20 5 FDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1NC1=C(C(=O)OCC)CNCC1 ZINC001170517652 940230109 /nfs/dbraw/zinc/23/01/09/940230109.db2.gz SXJJJMLYASJNJN-UHFFFAOYSA-N 0 3 363.370 1.994 20 5 FDBDHN CCN1C(=O)N=NC1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808739972 940598982 /nfs/dbraw/zinc/59/89/82/940598982.db2.gz DHKABILJXFHOEJ-OAHLLOKOSA-N 0 3 361.402 1.825 20 5 FDBDHN COc1cc(CONC(=N)[C@@H]2CN(C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998859 940936588 /nfs/dbraw/zinc/93/65/88/940936588.db2.gz YJJIYYBFRYQUEH-HNNXBMFYSA-N 0 3 352.391 1.711 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101556 941325425 /nfs/dbraw/zinc/32/54/25/941325425.db2.gz DGNSLGGBEWOWDA-KOLCDFICSA-N 0 3 362.429 1.418 20 5 FDBDHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102457 941325935 /nfs/dbraw/zinc/32/59/35/941325935.db2.gz FTOAUWOZXGRLBQ-GXTWGEPZSA-N 0 3 350.371 1.898 20 5 FDBDHN COCc1nc2sc(C(=O)OCC(C)[N+](=O)[O-])c(C)c2c(OC)n1 ZINC000813107323 941333922 /nfs/dbraw/zinc/33/39/22/941333922.db2.gz LZDJEZVGUVQUNP-SSDOTTSWSA-N 0 3 355.372 1.977 20 5 FDBDHN CC(COC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[N+](=O)[O-] ZINC000813113233 941335702 /nfs/dbraw/zinc/33/57/02/941335702.db2.gz OMXSQHMOUFQMAX-ZBFVHZJFSA-N 0 3 369.418 1.722 20 5 FDBDHN CC(COC(=O)C1CCN(C(=O)COc2ccccc2)CC1)[N+](=O)[O-] ZINC000813113604 941336260 /nfs/dbraw/zinc/33/62/60/941336260.db2.gz GVLNCFXJQJUDFY-ZDUSSCGKSA-N 0 3 350.371 1.512 20 5 FDBDHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113762 941336423 /nfs/dbraw/zinc/33/64/23/941336423.db2.gz UXWLURZNNFDBHT-BXUZGUMPSA-N 0 3 366.370 1.517 20 5 FDBDHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113765 941336430 /nfs/dbraw/zinc/33/64/30/941336430.db2.gz UXWLURZNNFDBHT-SMDDNHRTSA-N 0 3 366.370 1.517 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000816752199 942333478 /nfs/dbraw/zinc/33/34/78/942333478.db2.gz UFDMBBCEBAGJQH-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308052 943511974 /nfs/dbraw/zinc/51/19/74/943511974.db2.gz NBMWRTBEHWXAAO-GJZGRUSLSA-N 0 3 357.432 1.032 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000856410184 971129019 /nfs/dbraw/zinc/12/90/19/971129019.db2.gz HJCGGTRJRJZGSR-CYBMUJFWSA-N 0 3 363.418 1.287 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOCCNC(=O)OC(C)(C)C ZINC001196799645 971921734 /nfs/dbraw/zinc/92/17/34/971921734.db2.gz WZFCVTIWYVWZKX-UHFFFAOYSA-N 0 3 371.438 1.573 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@]2(C)CCC(=O)NC2=O)c1F ZINC001173187428 961956756 /nfs/dbraw/zinc/95/67/56/961956756.db2.gz DCCQYOSPYZXFQA-JDNHERCYSA-N 0 3 353.350 1.458 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]3CNC(=O)[C@H]3C2)c1F ZINC001173195270 961959671 /nfs/dbraw/zinc/95/96/71/961959671.db2.gz DVUIKPKTPYMBQA-MDZLAQPJSA-N 0 3 351.378 1.741 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001180052656 965090896 /nfs/dbraw/zinc/09/08/96/965090896.db2.gz CPJGHSPUDPFZEO-ZWKOTPCHSA-N 0 3 372.425 1.676 20 5 FDBDHN C[C@H](O)[C@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852559535 967425021 /nfs/dbraw/zinc/42/50/21/967425021.db2.gz JJHRJSRAXQCCSH-WMLDXEAASA-N 0 3 362.430 1.089 20 5 FDBDHN CCN(Cc1cnns1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713014 1013854099 /nfs/dbraw/zinc/85/40/99/1013854099.db2.gz GSLLTNOKIGNCMJ-ZIAGYGMSSA-N 0 3 353.448 1.264 20 5 FDBDHN CC(C)CN1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000794615828 973480577 /nfs/dbraw/zinc/48/05/77/973480577.db2.gz DFHVPZWXNBJGKQ-UHFFFAOYSA-N 0 3 361.402 1.643 20 5 FDBDHN Cc1nn(CN2CC[C@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121224921 976029367 /nfs/dbraw/zinc/02/93/67/976029367.db2.gz CTMJULGCDTZKBL-OAHLLOKOSA-N 0 3 359.430 1.865 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCN3C)C2)cc1F ZINC000867808447 976907703 /nfs/dbraw/zinc/90/77/03/976907703.db2.gz HXWXUKTUEMLQKX-AAEUAGOBSA-N 0 3 357.407 1.757 20 5 FDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 ZINC000883371805 982100588 /nfs/dbraw/zinc/10/05/88/982100588.db2.gz ATLCRWQBRIKEGS-INIZCTEOSA-N 0 3 366.437 1.620 20 5 FDBDHN COCCN1CCC[C@H]1COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000861034235 983595033 /nfs/dbraw/zinc/59/50/33/983595033.db2.gz LZOKVGFTNYDULP-AWEZNQCLSA-N 0 3 354.407 1.452 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000360448596 988039339 /nfs/dbraw/zinc/03/93/39/988039339.db2.gz NMFJEAMCBBSURI-CQSZACIVSA-N 0 3 361.446 1.277 20 5 FDBDHN C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000295184082 988626489 /nfs/dbraw/zinc/62/64/89/988626489.db2.gz JNLVHJJJGXMKDL-QWHCGFSZSA-N 0 3 373.413 1.512 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363207101 988993411 /nfs/dbraw/zinc/99/34/11/988993411.db2.gz XHQMWKIKBAZZGF-OLZOCXBDSA-N 0 3 364.358 1.404 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825709221 989640831 /nfs/dbraw/zinc/64/08/31/989640831.db2.gz RAHVBUIKAQIVKN-LBPRGKRZSA-N 0 3 368.409 1.641 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000298459054 990118997 /nfs/dbraw/zinc/11/89/97/990118997.db2.gz KXGUHUAZVOKYNE-UHFFFAOYSA-N 0 3 363.462 1.418 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000874841471 990567032 /nfs/dbraw/zinc/56/70/32/990567032.db2.gz DHJNVRKFWJVDGK-HOTGVXAUSA-N 0 3 370.413 1.793 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000874848897 990577978 /nfs/dbraw/zinc/57/79/78/990577978.db2.gz USNWBTWZXRJPRB-UONOGXRCSA-N 0 3 356.386 1.484 20 5 FDBDHN O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000372371376 991051394 /nfs/dbraw/zinc/05/13/94/991051394.db2.gz VWUUSDZODXSPBP-STQMWFEESA-N 0 3 359.386 1.454 20 5 FDBDHN Cc1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000876169101 992393610 /nfs/dbraw/zinc/39/36/10/992393610.db2.gz LWSCOVBGNKQFHS-UHFFFAOYSA-N 0 3 365.434 1.065 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000876473726 992641635 /nfs/dbraw/zinc/64/16/35/992641635.db2.gz SBIHVEGKGSKGHH-MRXNPFEDSA-N 0 3 371.821 1.667 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889741106 998563247 /nfs/dbraw/zinc/56/32/47/998563247.db2.gz AWKBPCLTBNHUKB-SJORKVTESA-N 0 3 365.405 1.724 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889768392 998627431 /nfs/dbraw/zinc/62/74/31/998627431.db2.gz NCBFRBJJABWMMB-HOTGVXAUSA-N 0 3 367.833 1.848 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000289318661 1000090030 /nfs/dbraw/zinc/09/00/30/1000090030.db2.gz XAIHNYPCHLSECK-PBHICJAKSA-N 0 3 372.429 1.754 20 5 FDBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000931612505 1004318146 /nfs/dbraw/zinc/31/81/46/1004318146.db2.gz XUAJPPHJWBFTEM-ZIAGYGMSSA-N 0 3 352.366 1.797 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932202111 1004825782 /nfs/dbraw/zinc/82/57/82/1004825782.db2.gz UOUOWOUPYSSWAN-OCCSQVGLSA-N 0 3 351.432 1.563 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192137403 178095864 /nfs/dbraw/zinc/09/58/64/178095864.db2.gz DKYMBYMKBAHQEP-APHBMKBZSA-N 0 3 368.340 1.550 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193293179 178156069 /nfs/dbraw/zinc/15/60/69/178156069.db2.gz IOZAXAICKXRZLC-BXKDBHETSA-N 0 3 361.395 1.538 20 5 FDBDHN COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000193668551 178175128 /nfs/dbraw/zinc/17/51/28/178175128.db2.gz WFVXZCLKWAINGQ-LSDHHAIUSA-N 0 3 354.794 1.783 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796671 178331014 /nfs/dbraw/zinc/33/10/14/178331014.db2.gz LTGYWDFUHRGGEB-MRVPVSSYSA-N 0 3 353.322 1.644 20 5 FDBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570395443 549263538 /nfs/dbraw/zinc/26/35/38/549263538.db2.gz LCPPTONCIKYQQP-HTQZYQBOSA-N 0 3 366.237 1.761 20 5 FDBDHN C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000517023219 539342260 /nfs/dbraw/zinc/34/22/60/539342260.db2.gz URRJMJJXRSIXBH-GFCCVEGCSA-N 0 3 368.459 1.553 20 5 FDBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000521996719 539527735 /nfs/dbraw/zinc/52/77/35/539527735.db2.gz ZVRGYNBMNIROJW-SOUVJXGZSA-N 0 3 365.430 1.714 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264472266 179117499 /nfs/dbraw/zinc/11/74/99/179117499.db2.gz LPWQNLWLIMDIOW-CQSZACIVSA-N 0 3 360.414 1.929 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264504828 179124488 /nfs/dbraw/zinc/12/44/88/179124488.db2.gz RWSDJRXWHKDXLT-INIZCTEOSA-N 0 3 360.414 1.411 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264922992 179241178 /nfs/dbraw/zinc/24/11/78/179241178.db2.gz QFLFYKKUFRTZTQ-ZDUSSCGKSA-N 0 3 352.410 1.737 20 5 FDBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CN1CCN(C)CC1 ZINC000265118843 179290781 /nfs/dbraw/zinc/29/07/81/179290781.db2.gz NCGRMUTUVMQINR-CYBMUJFWSA-N 0 3 360.414 1.954 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000523869603 539625555 /nfs/dbraw/zinc/62/55/55/539625555.db2.gz ODCYOZWVDIWUQV-KRWDZBQOSA-N 0 3 374.441 1.759 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000525183270 539683939 /nfs/dbraw/zinc/68/39/39/539683939.db2.gz YZHQZVHUQZPFOI-CYBMUJFWSA-N 0 3 354.432 1.486 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000268974233 180190639 /nfs/dbraw/zinc/19/06/39/180190639.db2.gz OFTXOTYZCKOERS-BMFZPTHFSA-N 0 3 354.428 1.541 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269483353 180313573 /nfs/dbraw/zinc/31/35/73/180313573.db2.gz MKFMCZDXHRLTPH-UHFFFAOYSA-N 0 3 374.363 1.933 20 5 FDBDHN CN(CCN(C)C1CCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269649521 180350452 /nfs/dbraw/zinc/35/04/52/180350452.db2.gz TXHXQOMWWMJTLI-UHFFFAOYSA-N 0 3 350.419 1.479 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000269888405 180418669 /nfs/dbraw/zinc/41/86/69/180418669.db2.gz XKJWTIWEKXGBSD-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000274491633 181106684 /nfs/dbraw/zinc/10/66/84/181106684.db2.gz RNQYXLXQZHBPMQ-GFCCVEGCSA-N 0 3 364.402 1.079 20 5 FDBDHN CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000531614944 540106949 /nfs/dbraw/zinc/10/69/49/540106949.db2.gz NMQXPVCBJYHZFU-HIFRSBDPSA-N 0 3 368.434 1.596 20 5 FDBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531634836 540109423 /nfs/dbraw/zinc/10/94/23/540109423.db2.gz JNHGBRVDCXGFQR-UHFFFAOYSA-N 0 3 370.409 1.877 20 5 FDBDHN CN(C)CCn1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1=O ZINC000534488281 540372235 /nfs/dbraw/zinc/37/22/35/540372235.db2.gz FNAFHIOSDJPDEX-UHFFFAOYSA-N 0 3 360.370 1.336 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1=CCN(C)CC1 ZINC000537241589 540705361 /nfs/dbraw/zinc/70/53/61/540705361.db2.gz CQWVDFMKWNQAJZ-CYBMUJFWSA-N 0 3 350.423 1.205 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000538381026 540850139 /nfs/dbraw/zinc/85/01/39/540850139.db2.gz WYIVKSVTSMUHIR-KGLIPLIRSA-N 0 3 352.460 1.819 20 5 FDBDHN C[C@H]1CN(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000538409882 540854107 /nfs/dbraw/zinc/85/41/07/540854107.db2.gz AVDIHGCLGGIBQB-AWEZNQCLSA-N 0 3 359.430 1.806 20 5 FDBDHN C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1=CCN(C)CC1 ZINC000541893669 541291327 /nfs/dbraw/zinc/29/13/27/541291327.db2.gz VOJXLCBYMWWDLV-AWEZNQCLSA-N 0 3 374.445 1.472 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000542080855 541332512 /nfs/dbraw/zinc/33/25/12/541332512.db2.gz OSGFFTPDGXAWHE-MRXNPFEDSA-N 0 3 360.414 1.186 20 5 FDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542068613 541329672 /nfs/dbraw/zinc/32/96/72/541329672.db2.gz RPEOXPCRXXQYNW-NSHDSACASA-N 0 3 352.391 1.388 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000282514020 182022140 /nfs/dbraw/zinc/02/21/40/182022140.db2.gz OWGXGMVJNJYWHX-HNNXBMFYSA-N 0 3 362.430 1.006 20 5 FDBDHN C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000282715615 182046855 /nfs/dbraw/zinc/04/68/55/182046855.db2.gz NLCHEIPKLPEKTJ-CQSZACIVSA-N 0 3 363.462 1.981 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000285256848 182756900 /nfs/dbraw/zinc/75/69/00/182756900.db2.gz QEXOUCGAOSBZOA-GFCCVEGCSA-N 0 3 367.431 1.373 20 5 FDBDHN O=C(CCN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000546210054 542125610 /nfs/dbraw/zinc/12/56/10/542125610.db2.gz MVVSYXJFONRSQC-CQSZACIVSA-N 0 3 361.402 1.459 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000287270195 183250245 /nfs/dbraw/zinc/25/02/45/183250245.db2.gz SIMUZQWSVRNYPX-NSHDSACASA-N 0 3 350.375 1.349 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295253704 184050166 /nfs/dbraw/zinc/05/01/66/184050166.db2.gz QQWZMJUHTFEYMD-UHFFFAOYSA-N 0 3 354.838 1.924 20 5 FDBDHN CN1CCCC[C@@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296774344 184199453 /nfs/dbraw/zinc/19/94/53/184199453.db2.gz ROVAJAKXCLYUJV-LLVKDONJSA-N 0 3 353.400 1.614 20 5 FDBDHN Cc1nc(N2CCN(CCN(C)Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296957993 184219337 /nfs/dbraw/zinc/21/93/37/184219337.db2.gz CKQTVSMOKBOJSU-UHFFFAOYSA-N 0 3 370.457 1.947 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000297288579 184254624 /nfs/dbraw/zinc/25/46/24/184254624.db2.gz HFXBDJKJZDGDEG-YGRLFVJLSA-N 0 3 352.366 1.389 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000547275766 542296509 /nfs/dbraw/zinc/29/65/09/542296509.db2.gz JJUFYZLPBCZQRM-INIZCTEOSA-N 0 3 362.411 1.515 20 5 FDBDHN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000547757655 542437854 /nfs/dbraw/zinc/43/78/54/542437854.db2.gz HZMSXJDZEHTRDW-UHFFFAOYSA-N 0 3 358.402 1.492 20 5 FDBDHN Nc1nccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548735683 542767506 /nfs/dbraw/zinc/76/75/06/542767506.db2.gz QGGULYBCDCAKER-UHFFFAOYSA-N 0 3 355.398 1.966 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000550087068 543002990 /nfs/dbraw/zinc/00/29/90/543002990.db2.gz ZMVSWRMAAHCMQI-GOEBONIOSA-N 0 3 360.366 1.764 20 5 FDBDHN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)NCCN1CCCCC1 ZINC000550133031 543016751 /nfs/dbraw/zinc/01/67/51/543016751.db2.gz WNUXXDTWYLCQLD-LLVKDONJSA-N 0 3 354.432 1.377 20 5 FDBDHN CC[C@H](Cn1cncn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550900766 543195735 /nfs/dbraw/zinc/19/57/35/543195735.db2.gz AOUCFSUNPMJWGV-GFCCVEGCSA-N 0 3 353.404 1.028 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072798556 172049872 /nfs/dbraw/zinc/04/98/72/172049872.db2.gz KGVWOAWXIWZEPZ-AWEZNQCLSA-N 0 3 350.419 1.312 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000090551923 172267270 /nfs/dbraw/zinc/26/72/70/172267270.db2.gz NIDXZMORSMYWNI-QGZVFWFLSA-N 0 3 365.430 1.807 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112922334 172596616 /nfs/dbraw/zinc/59/66/16/172596616.db2.gz FTFIGMQNLAGEFX-LBPRGKRZSA-N 0 3 367.425 1.320 20 5 FDBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125432926 173005420 /nfs/dbraw/zinc/00/54/20/173005420.db2.gz PJMPNRMXXDWNFM-UKRRQHHQSA-N 0 3 363.414 1.973 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc21 ZINC000126021301 173026382 /nfs/dbraw/zinc/02/63/82/173026382.db2.gz HVMNDQPDVLMUHO-UHFFFAOYSA-N 0 3 360.330 1.040 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000134057359 173317355 /nfs/dbraw/zinc/31/73/55/173317355.db2.gz BMJKDABIYLSRLC-NSHDSACASA-N 0 3 368.821 1.987 20 5 FDBDHN CCN1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134598641 173328642 /nfs/dbraw/zinc/32/86/42/173328642.db2.gz YPDBNBZRQDTMBN-UHFFFAOYSA-N 0 3 359.430 1.372 20 5 FDBDHN C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC000150722306 173379010 /nfs/dbraw/zinc/37/90/10/173379010.db2.gz KIKMPZIKSQUDKA-CQSZACIVSA-N 0 3 351.403 1.448 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CN1C1CC1 ZINC000177193575 174113449 /nfs/dbraw/zinc/11/34/49/174113449.db2.gz VYEADLQLPWIAGX-VXGBXAGGSA-N 0 3 356.386 1.531 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000173640417 258306004 /nfs/dbraw/zinc/30/60/04/258306004.db2.gz JEXKJLCOCGZCID-UHFFFAOYSA-N 0 3 360.458 1.623 20 5 FDBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178677237 258332063 /nfs/dbraw/zinc/33/20/63/258332063.db2.gz DOCHBTVYLVWINF-ZDUSSCGKSA-N 0 3 358.402 1.528 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000194115677 258394352 /nfs/dbraw/zinc/39/43/52/258394352.db2.gz KEGAQQDPZVRZHH-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000265905201 258418508 /nfs/dbraw/zinc/41/85/08/258418508.db2.gz FJALFBZNBOUEAE-UHFFFAOYSA-N 0 3 371.441 1.705 20 5 FDBDHN C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000553449482 543638814 /nfs/dbraw/zinc/63/88/14/543638814.db2.gz PVJUHJVVWFIASA-DZGCQCFKSA-N 0 3 361.446 1.156 20 5 FDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553784128 543696421 /nfs/dbraw/zinc/69/64/21/543696421.db2.gz YAIBUTMPBAUXGR-VBQJREDUSA-N 0 3 374.441 1.513 20 5 FDBDHN COc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000281805754 258680988 /nfs/dbraw/zinc/68/09/88/258680988.db2.gz PQBRJHFLNOSBNP-UHFFFAOYSA-N 0 3 364.446 1.668 20 5 FDBDHN C[C@H](CN1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302480675 259042539 /nfs/dbraw/zinc/04/25/39/259042539.db2.gz YANNGJMBHSRDGB-GFCCVEGCSA-N 0 3 356.448 1.919 20 5 FDBDHN C[C@H](C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330429666 259144338 /nfs/dbraw/zinc/14/43/38/259144338.db2.gz VDWVXJYDDOIWBO-ZDUSSCGKSA-N 0 3 366.437 1.980 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000332547721 259276165 /nfs/dbraw/zinc/27/61/65/259276165.db2.gz NZLHPXYZAKKTEZ-GJZGRUSLSA-N 0 3 361.446 1.909 20 5 FDBDHN CN1CCC2(CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000367346991 260027827 /nfs/dbraw/zinc/02/78/27/260027827.db2.gz RNIJWYZCLBYWTD-UHFFFAOYSA-N 0 3 360.414 1.411 20 5 FDBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1C1CCN(C)CC1 ZINC000367536175 260057782 /nfs/dbraw/zinc/05/77/82/260057782.db2.gz QOXZXPPMVILWAI-ZDUSSCGKSA-N 0 3 359.434 1.242 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368875557 260253486 /nfs/dbraw/zinc/25/34/86/260253486.db2.gz LVSZFWKHIVCCNK-CSFVBSKPSA-N 0 3 363.414 1.453 20 5 FDBDHN C[C@H](CO)N1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000368974606 260271098 /nfs/dbraw/zinc/27/10/98/260271098.db2.gz PULOZTPWKLXZHP-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)C1 ZINC000369356930 260347463 /nfs/dbraw/zinc/34/74/63/260347463.db2.gz ZZYCKLVVBYJWOK-ZDUSSCGKSA-N 0 3 365.409 1.168 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CCOCC2)CC1 ZINC000369543194 260387738 /nfs/dbraw/zinc/38/77/38/260387738.db2.gz CASSEIVSOMABRC-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1 ZINC000374171079 261089192 /nfs/dbraw/zinc/08/91/92/261089192.db2.gz KRSXJJOCMCBFMI-DLBZAZTESA-N 0 3 371.393 1.645 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374282424 261104369 /nfs/dbraw/zinc/10/43/69/261104369.db2.gz GZZKZUOQSSBGNJ-LBPRGKRZSA-N 0 3 364.450 1.121 20 5 FDBDHN O=C1[C@H](N2CCC[C@@H](c3nc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374551428 261152641 /nfs/dbraw/zinc/15/26/41/261152641.db2.gz XDNIEKODTOAEOH-IUODEOHRSA-N 0 3 356.386 1.698 20 5 FDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000374830837 261205850 /nfs/dbraw/zinc/20/58/50/261205850.db2.gz TZLVQHBECNCXOJ-NSHDSACASA-N 0 3 352.366 1.299 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@H]21 ZINC000375060176 261259171 /nfs/dbraw/zinc/25/91/71/261259171.db2.gz LGJUKOGTZKKBNF-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1cc(OCC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000271195036 674320505 /nfs/dbraw/zinc/32/05/05/674320505.db2.gz WLOQSHHBERRQQL-HIFRSBDPSA-N 0 3 369.443 1.486 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCN(C2CC2)CC1 ZINC000041240850 519649261 /nfs/dbraw/zinc/64/92/61/519649261.db2.gz KBWPSGCVVSBMCD-UHFFFAOYSA-N 0 3 366.805 1.930 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000069504730 521894599 /nfs/dbraw/zinc/89/45/99/521894599.db2.gz SJVSNINSGGLECD-KRWDZBQOSA-N 0 3 373.413 1.621 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000045798390 522161476 /nfs/dbraw/zinc/16/14/76/522161476.db2.gz VQKQGXFPJPMQBX-UHFFFAOYSA-N 0 3 362.411 1.642 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000046947807 522398725 /nfs/dbraw/zinc/39/87/25/522398725.db2.gz WFOUFUUIEUMUEL-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000063744719 522639396 /nfs/dbraw/zinc/63/93/96/522639396.db2.gz CCLLPBWSBUHLBK-UHFFFAOYSA-N 0 3 365.390 1.260 20 5 FDBDHN CN(C)CCOc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000066046989 522942842 /nfs/dbraw/zinc/94/28/42/522942842.db2.gz JWMSGEDXCHRSMT-UHFFFAOYSA-N 0 3 361.402 1.438 20 5 FDBDHN CCN1CCC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000052593834 523214698 /nfs/dbraw/zinc/21/46/98/523214698.db2.gz UVFSHXDJSNXCEJ-HNNXBMFYSA-N 0 3 361.446 1.911 20 5 FDBDHN CNC(=O)c1ccc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373261 523411859 /nfs/dbraw/zinc/41/18/59/523411859.db2.gz VFSWYEDFCMTHPJ-AWEZNQCLSA-N 0 3 350.419 1.459 20 5 FDBDHN CC(C)(C)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000054838763 523705749 /nfs/dbraw/zinc/70/57/49/523705749.db2.gz CALFRPFFFYMIRP-UHFFFAOYSA-N 0 3 370.475 1.800 20 5 FDBDHN COC1CCN(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080098549 523831858 /nfs/dbraw/zinc/83/18/58/523831858.db2.gz AZXGFTIHHXYTQQ-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000083026363 524232281 /nfs/dbraw/zinc/23/22/81/524232281.db2.gz XXNCHTRBMFKBAE-TXEJJXNPSA-N 0 3 368.409 1.935 20 5 FDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000157332190 524252220 /nfs/dbraw/zinc/25/22/20/524252220.db2.gz PULOTFVPKQZXPA-UHFFFAOYSA-N 0 3 361.402 1.477 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000085456527 524357452 /nfs/dbraw/zinc/35/74/52/524357452.db2.gz UICHFAKTLOYPKM-CHWSQXEVSA-N 0 3 367.450 1.890 20 5 FDBDHN CN1CC[C@H](Cn2nnnc2Sc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121779511 524360233 /nfs/dbraw/zinc/36/02/33/524360233.db2.gz OSSGOEPLXORISQ-QMMMGPOBSA-N 0 3 356.358 1.962 20 5 FDBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112549698 524504531 /nfs/dbraw/zinc/50/45/31/524504531.db2.gz IPFFBHRFJREMDD-WCQYABFASA-N 0 3 358.402 1.735 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000122389258 524524257 /nfs/dbraw/zinc/52/42/57/524524257.db2.gz SVDSDCNZHQHABN-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000122389517 524524374 /nfs/dbraw/zinc/52/43/74/524524374.db2.gz SVDSDCNZHQHABN-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc(OC)c([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174666143 524680565 /nfs/dbraw/zinc/68/05/65/524680565.db2.gz FCJCDVYOJHGBIP-AAEUAGOBSA-N 0 3 350.375 1.520 20 5 FDBDHN CN1CCN(CCOc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000123133266 524687513 /nfs/dbraw/zinc/68/75/13/524687513.db2.gz HAPMDAMCLJQQJE-UHFFFAOYSA-N 0 3 374.401 1.196 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000174719189 524704843 /nfs/dbraw/zinc/70/48/43/524704843.db2.gz SGKCHTPRGNNKCE-MSOLQXFVSA-N 0 3 359.430 1.579 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000175076100 524861814 /nfs/dbraw/zinc/86/18/14/524861814.db2.gz BAIYKMMPIIJJNL-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000175081134 524863704 /nfs/dbraw/zinc/86/37/04/524863704.db2.gz SCTZOYKSURGBDQ-NEPJUHHUSA-N 0 3 357.432 1.755 20 5 FDBDHN O=C(NCC1CCN(CCO)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000160553273 524914347 /nfs/dbraw/zinc/91/43/47/524914347.db2.gz TUJJKKQJCGCXEQ-UHFFFAOYSA-N 0 3 362.430 1.603 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115586242 525030483 /nfs/dbraw/zinc/03/04/83/525030483.db2.gz NZLBVTDSAXXWRV-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115586245 525031528 /nfs/dbraw/zinc/03/15/28/525031528.db2.gz NZLBVTDSAXXWRV-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000124677138 525048188 /nfs/dbraw/zinc/04/81/88/525048188.db2.gz IUDZILFGLJYUNP-YPMHNXCESA-N 0 3 374.401 1.264 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000115716890 525050069 /nfs/dbraw/zinc/05/00/69/525050069.db2.gz VMLSWUOALSLVKQ-LBPRGKRZSA-N 0 3 358.398 1.850 20 5 FDBDHN O=C(NCc1ccccc1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176197597 525063804 /nfs/dbraw/zinc/06/38/04/525063804.db2.gz XVOIOJKETNAQAU-UHFFFAOYSA-N 0 3 357.414 1.820 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCN1CCC[C@H]1CO ZINC000161734470 525159374 /nfs/dbraw/zinc/15/93/74/525159374.db2.gz ICIZZBDAESQBTM-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000162776822 525316587 /nfs/dbraw/zinc/31/65/87/525316587.db2.gz FVOSYMSTFOPHAH-UHFFFAOYSA-N 0 3 350.419 1.888 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000103998561 525384949 /nfs/dbraw/zinc/38/49/49/525384949.db2.gz SYFSNSKRCNZZQP-AWEZNQCLSA-N 0 3 374.401 1.016 20 5 FDBDHN CN1CC[C@H](Cn2nnnc2Sc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000154176206 525449643 /nfs/dbraw/zinc/44/96/43/525449643.db2.gz PIXKYLRFUFQXTB-QMMMGPOBSA-N 0 3 355.811 1.733 20 5 FDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N(C)C1CC1 ZINC000128447701 525544055 /nfs/dbraw/zinc/54/40/55/525544055.db2.gz BJFMQICRMHFFLK-ZDUSSCGKSA-N 0 3 362.430 1.644 20 5 FDBDHN O=C(CCN1CCC(OCCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000154817641 525649461 /nfs/dbraw/zinc/64/94/61/525649461.db2.gz HVMYGVYYTQTZPA-UHFFFAOYSA-N 0 3 351.403 1.787 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180580705 525726192 /nfs/dbraw/zinc/72/61/92/525726192.db2.gz CBAVTNTZOMDAHL-UHFFFAOYSA-N 0 3 351.407 1.191 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181286056 525833734 /nfs/dbraw/zinc/83/37/34/525833734.db2.gz PSCQLCQOIOKIRL-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN COc1cc(NCCCCN2CCN(CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000119782515 525859954 /nfs/dbraw/zinc/85/99/54/525859954.db2.gz TYGXAQBKKFGICD-UHFFFAOYSA-N 0 3 370.425 1.545 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171446131 525996631 /nfs/dbraw/zinc/99/66/31/525996631.db2.gz KZBJBCSLOPJOBC-CQSZACIVSA-N 0 3 356.386 1.486 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000183671146 536025686 /nfs/dbraw/zinc/02/56/86/536025686.db2.gz VAIIPMFQZDWGKQ-UKRRQHHQSA-N 0 3 362.430 1.574 20 5 FDBDHN CN(CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000183822258 536054255 /nfs/dbraw/zinc/05/42/55/536054255.db2.gz ONGMSNHMYMXYQB-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN CCN(CCO)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184005052 536079206 /nfs/dbraw/zinc/07/92/06/536079206.db2.gz ZSWONDUBYUNWEJ-UHFFFAOYSA-N 0 3 360.208 1.401 20 5 FDBDHN CC(C)(C)OC(=O)NC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000185232526 536203134 /nfs/dbraw/zinc/20/31/34/536203134.db2.gz DDWGDHGVDWEJEE-CQSZACIVSA-N 0 3 366.418 1.649 20 5 FDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186904968 536248282 /nfs/dbraw/zinc/24/82/82/536248282.db2.gz LDUIYVRXMLSDLS-JTQLQIEISA-N 0 3 363.411 1.751 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246396761 536944324 /nfs/dbraw/zinc/94/43/24/536944324.db2.gz KONLAXVMIYPOQT-DYEKYZERSA-N 0 3 360.414 1.455 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000246446065 536956222 /nfs/dbraw/zinc/95/62/22/536956222.db2.gz OGBGHSNJGBBFNS-RDJZCZTQSA-N 0 3 374.441 1.544 20 5 FDBDHN CN(C)CCN(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000267117750 536957301 /nfs/dbraw/zinc/95/73/01/536957301.db2.gz ZVBJGNQZLNUYHS-UHFFFAOYSA-N 0 3 351.794 1.792 20 5 FDBDHN CC1(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000268096581 537010644 /nfs/dbraw/zinc/01/06/44/537010644.db2.gz JZMHAYNAHLZLIG-INIZCTEOSA-N 0 3 366.414 1.810 20 5 FDBDHN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C[C@H](C)O ZINC000246788977 537027187 /nfs/dbraw/zinc/02/71/87/537027187.db2.gz JDLATCDIVZWDBJ-NWDGAFQWSA-N 0 3 361.402 1.388 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189543214 537063520 /nfs/dbraw/zinc/06/35/20/537063520.db2.gz OXIKVGIWOSTTJZ-LSDHHAIUSA-N 0 3 364.446 1.619 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000247663485 537144307 /nfs/dbraw/zinc/14/43/07/537144307.db2.gz YGLWMCHCZAUSCL-WCQYABFASA-N 0 3 357.407 1.839 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000248139980 537168781 /nfs/dbraw/zinc/16/87/81/537168781.db2.gz YHENIJBEEKOZEX-GDBMZVCRSA-N 0 3 366.805 1.959 20 5 FDBDHN CN1CCC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248373941 537174693 /nfs/dbraw/zinc/17/46/93/537174693.db2.gz MSIGPBUWBBDMPB-RHSMWYFYSA-N 0 3 367.471 1.785 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000248458919 537184952 /nfs/dbraw/zinc/18/49/52/537184952.db2.gz NHIBKSMWXWNTMQ-HUUCEWRRSA-N 0 3 361.402 1.338 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248527611 537189680 /nfs/dbraw/zinc/18/96/80/537189680.db2.gz DEOQDGJRTNEZNP-NVXWUHKLSA-N 0 3 367.471 1.883 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000193089083 537239638 /nfs/dbraw/zinc/23/96/38/537239638.db2.gz MGKAGYYKWPHICS-NSHDSACASA-N 0 3 355.416 1.366 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000298750311 537298775 /nfs/dbraw/zinc/29/87/75/537298775.db2.gz WLKXPPAJKBIOAW-AWEZNQCLSA-N 0 3 352.391 1.422 20 5 FDBDHN COc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000270223046 537300334 /nfs/dbraw/zinc/30/03/34/537300334.db2.gz MXZQOBVEVHBNSU-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000290284381 537313718 /nfs/dbraw/zinc/31/37/18/537313718.db2.gz GQAUAVNPGYYEFK-LLVKDONJSA-N 0 3 352.391 1.387 20 5 FDBDHN O=C1NCCCC[C@@H]1N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000298820461 537332744 /nfs/dbraw/zinc/33/27/44/537332744.db2.gz BJKSNTWLXLMSIF-INIZCTEOSA-N 0 3 372.429 1.652 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293108342 537347497 /nfs/dbraw/zinc/34/74/97/537347497.db2.gz QTKNZYMXOULSDL-MRXNPFEDSA-N 0 3 351.403 1.929 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364779905 537398189 /nfs/dbraw/zinc/39/81/89/537398189.db2.gz PFKJWFHFVGCFHI-QGZVFWFLSA-N 0 3 362.386 1.806 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000288383977 537494047 /nfs/dbraw/zinc/49/40/47/537494047.db2.gz PIWIPAOONCDIOL-OAHLLOKOSA-N 0 3 362.430 1.006 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)C1 ZINC000293658507 537552667 /nfs/dbraw/zinc/55/26/67/537552667.db2.gz HNUWZLNZWGSAHR-QGZVFWFLSA-N 0 3 356.386 1.343 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293680568 537559959 /nfs/dbraw/zinc/55/99/59/537559959.db2.gz PSKCXEGYZVWVQD-JKSUJKDBSA-N 0 3 365.430 1.907 20 5 FDBDHN CN1CCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281909137 537585892 /nfs/dbraw/zinc/58/58/92/537585892.db2.gz ZXELAZKWFVTNHC-UHFFFAOYSA-N 0 3 366.487 1.829 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)n1 ZINC000285039705 537603054 /nfs/dbraw/zinc/60/30/54/537603054.db2.gz VBYFXTPLHDTQMN-UHFFFAOYSA-N 0 3 373.413 1.731 20 5 FDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237208693 537618467 /nfs/dbraw/zinc/61/84/67/537618467.db2.gz JJEDPJLZWUHIIP-QMMMGPOBSA-N 0 3 366.237 1.491 20 5 FDBDHN CN1CCC(Oc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000285641124 537740658 /nfs/dbraw/zinc/74/06/58/537740658.db2.gz FYXINFMWWZWWTB-UHFFFAOYSA-N 0 3 359.386 1.721 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnn(Cc3ccccc3)c2)c1 ZINC000390203254 537767544 /nfs/dbraw/zinc/76/75/44/537767544.db2.gz RJKDAYKYCNNUFX-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CN1CCO ZINC000416310515 537802054 /nfs/dbraw/zinc/80/20/54/537802054.db2.gz NYKAMPWMPXRBHU-STQMWFEESA-N 0 3 373.413 1.512 20 5 FDBDHN NC(=O)c1cn(CCCCNCc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000414567258 537836104 /nfs/dbraw/zinc/83/61/04/537836104.db2.gz JVNYFBMROFFBHE-UHFFFAOYSA-N 0 3 352.782 1.509 20 5 FDBDHN COc1ccc2c(c1)[C@@H](C)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000366769151 537852144 /nfs/dbraw/zinc/85/21/44/537852144.db2.gz LZNTXYBVONRHDA-XJKSGUPXSA-N 0 3 360.414 1.823 20 5 FDBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000426887212 538147151 /nfs/dbraw/zinc/14/71/51/538147151.db2.gz TXTJAUKMROIFKC-CYBMUJFWSA-N 0 3 362.386 1.487 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000423985897 538203235 /nfs/dbraw/zinc/20/32/35/538203235.db2.gz DTBDKYOYHJNDHF-SNVBAGLBSA-N 0 3 363.292 1.254 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000420398975 538285613 /nfs/dbraw/zinc/28/56/13/538285613.db2.gz AUMHCBMGMCQIKX-VIFPVBQESA-N 0 3 353.322 1.644 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](O)CN1CCCCC1 ZINC000429212475 538340237 /nfs/dbraw/zinc/34/02/37/538340237.db2.gz PYQKNHYYUUSMCH-CYBMUJFWSA-N 0 3 351.403 1.949 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](NC(C)=O)C1 ZINC000420986990 538376428 /nfs/dbraw/zinc/37/64/28/538376428.db2.gz NKPMDFWPEDEUGN-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN CS[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000495580246 538671892 /nfs/dbraw/zinc/67/18/92/538671892.db2.gz KCXXPSRYFTZEPS-CABCVRRESA-N 0 3 352.460 1.535 20 5 FDBDHN CN1CCC[C@H](CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000561187049 545733731 /nfs/dbraw/zinc/73/37/31/545733731.db2.gz SUKMXSFKMMRLHH-LLVKDONJSA-N 0 3 368.821 1.436 20 5 FDBDHN CC(C)CN1CCO[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000561750053 545942800 /nfs/dbraw/zinc/94/28/00/545942800.db2.gz OFZXBWWLOFOCDO-HOTGVXAUSA-N 0 3 367.446 1.281 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000562062536 546023265 /nfs/dbraw/zinc/02/32/65/546023265.db2.gz WUFREHXDYDRPSK-UONOGXRCSA-N 0 3 370.475 1.825 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000562297585 546081855 /nfs/dbraw/zinc/08/18/55/546081855.db2.gz ZELDCEYDBUCQHX-INIZCTEOSA-N 0 3 372.425 1.820 20 5 FDBDHN CN(CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000562983659 546340553 /nfs/dbraw/zinc/34/05/53/546340553.db2.gz CFQYNBNFXVQXGX-UHFFFAOYSA-N 0 3 355.460 1.833 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000562988491 546343065 /nfs/dbraw/zinc/34/30/65/546343065.db2.gz WXPLCWVLBKUDSU-MRXNPFEDSA-N 0 3 365.430 1.717 20 5 FDBDHN CC(=O)N1CC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000562992694 546345367 /nfs/dbraw/zinc/34/53/67/546345367.db2.gz XIEBHDLQUKWFAA-ZBFHGGJFSA-N 0 3 359.386 1.240 20 5 FDBDHN Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1OCCN(C)C ZINC000563406464 546522511 /nfs/dbraw/zinc/52/25/11/546522511.db2.gz KJTJXBMRGZNSKC-UHFFFAOYSA-N 0 3 359.386 2.073 20 5 FDBDHN COc1cccc(C(=O)NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000564536983 546945630 /nfs/dbraw/zinc/94/56/30/546945630.db2.gz LSGNWAIWHMPHJM-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000564817408 547050488 /nfs/dbraw/zinc/05/04/88/547050488.db2.gz ZWFLLNNCIUKUAA-CQSZACIVSA-N 0 3 360.414 1.032 20 5 FDBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000564845292 547063592 /nfs/dbraw/zinc/06/35/92/547063592.db2.gz SUSWAEKGJPIWEX-GFCCVEGCSA-N 0 3 372.328 1.552 20 5 FDBDHN O=C(CCN[C@@H]1CCN(CC(F)(F)F)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000564855182 547069127 /nfs/dbraw/zinc/06/91/27/547069127.db2.gz CVOCCZBWBBAVMH-LLVKDONJSA-N 0 3 374.319 1.676 20 5 FDBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000565891728 547522693 /nfs/dbraw/zinc/52/26/93/547522693.db2.gz CBFMOSCYGOIHFR-GHMZBOCLSA-N 0 3 371.415 1.162 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3CCOC)n1 ZINC000566698117 547855784 /nfs/dbraw/zinc/85/57/84/547855784.db2.gz DLRFCPSBBAWDIP-PBWFPOADSA-N 0 3 365.434 1.525 20 5 FDBDHN CN(C)CCN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000567528242 548151565 /nfs/dbraw/zinc/15/15/65/548151565.db2.gz PCUJOVPIMYUTJA-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN O=c1[nH]c2ccccc2n1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567682981 548211199 /nfs/dbraw/zinc/21/11/99/548211199.db2.gz DIUWLDBGVWVWFZ-CQSZACIVSA-N 0 3 372.381 1.680 20 5 FDBDHN CO[C@H](c1ccccc1F)[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567686719 548214022 /nfs/dbraw/zinc/21/40/22/548214022.db2.gz XWHGNQIMQBOYSV-FFSVYQOJSA-N 0 3 352.366 1.657 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)Cc2ccco2)cc1 ZINC000567734380 548236275 /nfs/dbraw/zinc/23/62/75/548236275.db2.gz FXOVQUVBONSAIM-CYBMUJFWSA-N 0 3 368.411 1.402 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCCN2C2CC2)cc1 ZINC000569232096 548844137 /nfs/dbraw/zinc/84/41/37/548844137.db2.gz IUUSNNTYURHEKQ-MRXNPFEDSA-N 0 3 367.471 1.975 20 5 FDBDHN Cc1c(CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cccc1[N+](=O)[O-] ZINC000569574409 548966952 /nfs/dbraw/zinc/96/69/52/548966952.db2.gz BNTYKQRSHYJHBF-OAHLLOKOSA-N 0 3 358.402 1.360 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000570245377 549209622 /nfs/dbraw/zinc/20/96/22/549209622.db2.gz VOGIVMLBBUZIAG-UHFFFAOYSA-N 0 3 358.398 1.789 20 5 FDBDHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571494781 549664429 /nfs/dbraw/zinc/66/44/29/549664429.db2.gz DNYOGJFNMFMZKC-FUHWJXTLSA-N 0 3 358.442 1.691 20 5 FDBDHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627961 549712091 /nfs/dbraw/zinc/71/20/91/549712091.db2.gz LWXPYXMXWAZLSS-NVXWUHKLSA-N 0 3 374.441 1.463 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCOC2CCOCC2)cc1 ZINC000573834890 550219374 /nfs/dbraw/zinc/21/93/74/550219374.db2.gz GMNOABKYWRPZJR-UHFFFAOYSA-N 0 3 372.443 1.544 20 5 FDBDHN C[C@@H](C(=O)NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000573934794 550234792 /nfs/dbraw/zinc/23/47/92/550234792.db2.gz YHVRZRHVLISNDO-DIFFPNOSSA-N 0 3 351.378 1.410 20 5 FDBDHN COc1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc([N+](=O)[O-])c1C ZINC000574630602 550344929 /nfs/dbraw/zinc/34/49/29/550344929.db2.gz FIKOLEYHOURDLG-UHFFFAOYSA-N 0 3 371.397 1.969 20 5 FDBDHN CNc1nccc(C(=O)Nc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000577527283 550666423 /nfs/dbraw/zinc/66/64/23/550666423.db2.gz MJAXGAZTOMSIMH-UHFFFAOYSA-N 0 3 359.386 2.224 20 5 FDBDHN N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccc1 ZINC000578321686 550751809 /nfs/dbraw/zinc/75/18/09/550751809.db2.gz USOKYSILSFPROZ-INIZCTEOSA-N 0 3 370.409 1.861 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000581119078 551053662 /nfs/dbraw/zinc/05/36/62/551053662.db2.gz YJYYNDYZFCPEPO-UHFFFAOYSA-N 0 3 368.393 1.838 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000581499718 551096337 /nfs/dbraw/zinc/09/63/37/551096337.db2.gz PYKQVAUQXMAXEQ-MWLCHTKSSA-N 0 3 369.219 1.414 20 5 FDBDHN COC(=O)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583957117 551426606 /nfs/dbraw/zinc/42/66/06/551426606.db2.gz KGKLWJSXASRYSD-AWEZNQCLSA-N 0 3 352.387 1.610 20 5 FDBDHN O=C(COc1c(Cl)cncc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000586274141 551612390 /nfs/dbraw/zinc/61/23/90/551612390.db2.gz JURUNGFIBGVHOY-UHFFFAOYSA-N 0 3 354.794 1.765 20 5 FDBDHN COCCN1CCC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587837863 551636072 /nfs/dbraw/zinc/63/60/72/551636072.db2.gz UPRBITQBIYVQQT-GFCCVEGCSA-N 0 3 352.391 1.608 20 5 FDBDHN CS[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@@H]1N(C)C ZINC000588007944 551640180 /nfs/dbraw/zinc/64/01/80/551640180.db2.gz VHQQIPCKBSYZIJ-GJZGRUSLSA-N 0 3 365.459 1.267 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000589502211 551733756 /nfs/dbraw/zinc/73/37/56/551733756.db2.gz OSWMCWPQYLMNNM-UHFFFAOYSA-N 0 3 363.414 1.678 20 5 FDBDHN Nc1cc(NCC(=O)NCCN2CCCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000590062605 551758750 /nfs/dbraw/zinc/75/87/50/551758750.db2.gz ZHLUHAGODSVKSQ-UHFFFAOYSA-N 0 3 365.434 1.073 20 5 FDBDHN COCCCN1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000590576526 551794113 /nfs/dbraw/zinc/79/41/13/551794113.db2.gz USICJBDICMEILY-UHFFFAOYSA-N 0 3 352.391 1.689 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000591452054 551871536 /nfs/dbraw/zinc/87/15/36/551871536.db2.gz LCJUVNQDOGJDDZ-GFCCVEGCSA-N 0 3 363.395 1.682 20 5 FDBDHN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000591750380 551905887 /nfs/dbraw/zinc/90/58/87/551905887.db2.gz SRQIPYUSKSZAKA-CYBMUJFWSA-N 0 3 364.402 1.150 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166877 551952293 /nfs/dbraw/zinc/95/22/93/551952293.db2.gz KHNPMPXSWNGGBL-CEXWTWQISA-N 0 3 374.441 1.610 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592177739 551954484 /nfs/dbraw/zinc/95/44/84/551954484.db2.gz OTASCHMYHYHJJN-ROUUACIJSA-N 0 3 372.425 1.812 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592869994 552037206 /nfs/dbraw/zinc/03/72/06/552037206.db2.gz BFZXFOGJOKJHII-CQSZACIVSA-N 0 3 362.430 1.712 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592875086 552037618 /nfs/dbraw/zinc/03/76/18/552037618.db2.gz WEGIYCFFTYBFPF-GFCCVEGCSA-N 0 3 364.402 1.186 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000592879484 552038214 /nfs/dbraw/zinc/03/82/14/552038214.db2.gz LZDKBFPUPOLPNX-NSHDSACASA-N 0 3 359.386 1.268 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593124764 552065288 /nfs/dbraw/zinc/06/52/88/552065288.db2.gz XTIFCMMKMCFQHZ-HYVNUMGLSA-N 0 3 364.398 1.466 20 5 FDBDHN O=C(CCN1CCC[C@@H](N2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593995862 552235986 /nfs/dbraw/zinc/23/59/86/552235986.db2.gz BHRPESIEJPJQRX-QGZVFWFLSA-N 0 3 362.430 1.720 20 5 FDBDHN C[C@@H]1CC[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000594494153 552326021 /nfs/dbraw/zinc/32/60/21/552326021.db2.gz VOBOBPQMOINATF-NEPJUHHUSA-N 0 3 359.473 1.747 20 5 FDBDHN NC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594533530 552330095 /nfs/dbraw/zinc/33/00/95/552330095.db2.gz OSQSRVSAZZYSQT-QMMMGPOBSA-N 0 3 354.672 1.193 20 5 FDBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594793606 552386844 /nfs/dbraw/zinc/38/68/44/552386844.db2.gz FBBWERALOTZFOP-TXEJJXNPSA-N 0 3 364.427 1.762 20 5 FDBDHN C[C@@H](CN(C)CCC[NH+](C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594803023 552390970 /nfs/dbraw/zinc/39/09/70/552390970.db2.gz IPELPMNMJASONC-ZDUSSCGKSA-N 0 3 358.464 1.145 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000594854649 552410319 /nfs/dbraw/zinc/41/03/19/552410319.db2.gz UVNBFFHYVXXIPO-GFCCVEGCSA-N 0 3 371.463 1.497 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000594854649 552410320 /nfs/dbraw/zinc/41/03/20/552410320.db2.gz UVNBFFHYVXXIPO-GFCCVEGCSA-N 0 3 371.463 1.497 20 5 FDBDHN CCS(=O)(=O)N(C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595016746 552438006 /nfs/dbraw/zinc/43/80/06/552438006.db2.gz WFNZPXWXWFRBBS-GFCCVEGCSA-N 0 3 359.448 1.926 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595383738 552543771 /nfs/dbraw/zinc/54/37/71/552543771.db2.gz DWWURKUJCCEXMY-HNNXBMFYSA-N 0 3 369.443 1.123 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595774067 552613771 /nfs/dbraw/zinc/61/37/71/552613771.db2.gz SAJOKYOBRRFJGF-UHFFFAOYSA-N 0 3 350.375 1.096 20 5 FDBDHN C[C@H](NC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596045779 552649132 /nfs/dbraw/zinc/64/91/32/552649132.db2.gz FRDOYWZUCJININ-DZGCQCFKSA-N 0 3 362.430 1.765 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCN(C)C1CC1 ZINC000596088346 552654081 /nfs/dbraw/zinc/65/40/81/552654081.db2.gz OSDVPNNIKGMPOY-UHFFFAOYSA-N 0 3 356.448 1.789 20 5 FDBDHN Cc1c(Br)c(NC[C@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000596278945 552670351 /nfs/dbraw/zinc/67/03/51/552670351.db2.gz LWYBJBYBLKZBEC-NSHDSACASA-N 0 3 373.251 2.319 20 5 FDBDHN NC(=O)c1ccnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422516 552677744 /nfs/dbraw/zinc/67/77/44/552677744.db2.gz DDWRJBMVRVTXBK-CQSZACIVSA-N 0 3 371.397 1.267 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596489892 552683434 /nfs/dbraw/zinc/68/34/34/552683434.db2.gz XIVUIPHSSPSQDA-LBPRGKRZSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596655049 552697579 /nfs/dbraw/zinc/69/75/79/552697579.db2.gz SJMRZKFFHBJALE-SNVBAGLBSA-N 0 3 360.374 1.056 20 5 FDBDHN COc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596832528 552715715 /nfs/dbraw/zinc/71/57/15/552715715.db2.gz PMHHKBPHBIVJEE-CQSZACIVSA-N 0 3 364.402 1.978 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597573623 552806671 /nfs/dbraw/zinc/80/66/71/552806671.db2.gz GQYCDORJIIARAD-QGZVFWFLSA-N 0 3 351.403 1.279 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000597642018 552816716 /nfs/dbraw/zinc/81/67/16/552816716.db2.gz SDATZQIAAXQCGT-UHFFFAOYSA-N 0 3 367.369 1.083 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597696111 552823168 /nfs/dbraw/zinc/82/31/68/552823168.db2.gz VGKRAXSPGMJROB-HOCLYGCPSA-N 0 3 363.414 1.685 20 5 FDBDHN CSc1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597695149 552823362 /nfs/dbraw/zinc/82/33/62/552823362.db2.gz QZDQUDRZJPTIKR-UHFFFAOYSA-N 0 3 364.471 1.636 20 5 FDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(CC)C1 ZINC000598043924 552860042 /nfs/dbraw/zinc/86/00/42/552860042.db2.gz XMFGFLDLSIICEH-CYBMUJFWSA-N 0 3 351.403 1.925 20 5 FDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598588379 552911984 /nfs/dbraw/zinc/91/19/84/552911984.db2.gz KOUPWGPGTITRQH-KGLIPLIRSA-N 0 3 364.450 1.754 20 5 FDBDHN COC(=O)c1ccnc(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000598629376 552918376 /nfs/dbraw/zinc/91/83/76/552918376.db2.gz JDKNORSQRQIORP-UHFFFAOYSA-N 0 3 364.402 1.468 20 5 FDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000598896681 552940742 /nfs/dbraw/zinc/94/07/42/552940742.db2.gz MEDJZUINXZRPJS-CQSZACIVSA-N 0 3 361.402 1.317 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570749 553091638 /nfs/dbraw/zinc/09/16/38/553091638.db2.gz VWWCDWNTINOKCY-INIZCTEOSA-N 0 3 351.359 1.187 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599622601 553106068 /nfs/dbraw/zinc/10/60/68/553106068.db2.gz MCOAIBFKFHISEC-LBPRGKRZSA-N 0 3 361.377 1.991 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599622597 553106346 /nfs/dbraw/zinc/10/63/46/553106346.db2.gz MCOAIBFKFHISEC-GFCCVEGCSA-N 0 3 361.377 1.991 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000600692927 553302299 /nfs/dbraw/zinc/30/22/99/553302299.db2.gz OQEGNRJNZOWGOO-NSHDSACASA-N 0 3 362.415 1.688 20 5 FDBDHN CN(C)CCn1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000600997904 553337562 /nfs/dbraw/zinc/33/75/62/553337562.db2.gz FTDVISLFKHCDOI-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000601391757 553392503 /nfs/dbraw/zinc/39/25/03/553392503.db2.gz AWXRZLFKHZEWIU-ZFWWWQNUSA-N 0 3 364.421 1.832 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601422570 553401764 /nfs/dbraw/zinc/40/17/64/553401764.db2.gz SUWAMRRCCJDGRO-CABZTGNLSA-N 0 3 361.395 1.456 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000603051272 553701356 /nfs/dbraw/zinc/70/13/56/553701356.db2.gz AHWUAGXRHYQVBN-GFCCVEGCSA-N 0 3 361.320 1.800 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)n1 ZINC000603145977 553715355 /nfs/dbraw/zinc/71/53/55/553715355.db2.gz PAUSGPDKLQFLMI-JSGCOSHPSA-N 0 3 358.320 1.915 20 5 FDBDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604306625 553861558 /nfs/dbraw/zinc/86/15/58/553861558.db2.gz ZZJQWQKGTVSDEK-UKRRQHHQSA-N 0 3 352.387 1.752 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000604477207 553880222 /nfs/dbraw/zinc/88/02/22/553880222.db2.gz ULFDJBWCNCPKPB-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000608860500 554325599 /nfs/dbraw/zinc/32/55/99/554325599.db2.gz RBTGPLMLCLGWGU-INIZCTEOSA-N 0 3 368.393 1.798 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000608965804 554331022 /nfs/dbraw/zinc/33/10/22/554331022.db2.gz HZIYQQRSEDDHFN-UHFFFAOYSA-N 0 3 359.386 1.144 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045830 554334769 /nfs/dbraw/zinc/33/47/69/554334769.db2.gz QYFLEJZJWJSNQT-AWEZNQCLSA-N 0 3 364.446 1.288 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609187719 554347134 /nfs/dbraw/zinc/34/71/34/554347134.db2.gz JNLDWOCMNOJOGF-OAHLLOKOSA-N 0 3 364.446 1.966 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674351 554410077 /nfs/dbraw/zinc/41/00/77/554410077.db2.gz UCKPPLPJJSVIFV-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609963831 554445139 /nfs/dbraw/zinc/44/51/39/554445139.db2.gz QBJWKVCKYRKIQV-ZDUSSCGKSA-N 0 3 366.418 1.671 20 5 FDBDHN CN(C)CCOC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610211593 554473688 /nfs/dbraw/zinc/47/36/88/554473688.db2.gz PUOIYRQDSWLEJY-UHFFFAOYSA-N 0 3 371.459 1.467 20 5 FDBDHN C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000616071309 555267705 /nfs/dbraw/zinc/26/77/05/555267705.db2.gz KYRSUBSZKVBNEF-ZDUSSCGKSA-N 0 3 356.448 1.779 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000618924258 555696575 /nfs/dbraw/zinc/69/65/75/555696575.db2.gz SNBCHMNYNPQSDE-SFHVURJKSA-N 0 3 358.398 1.672 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619487962 555787137 /nfs/dbraw/zinc/78/71/37/555787137.db2.gz IACUOIHXDNIXEO-LBPRGKRZSA-N 0 3 357.432 1.708 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000481711188 568090921 /nfs/dbraw/zinc/09/09/21/568090921.db2.gz YQOZVHREMYRFGD-OAHLLOKOSA-N 0 3 373.413 1.215 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000195421101 672404080 /nfs/dbraw/zinc/40/40/80/672404080.db2.gz HDYXLTZHJJUWNE-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000288838321 676061213 /nfs/dbraw/zinc/06/12/13/676061213.db2.gz JMQYDWHHQDRNCH-CYBMUJFWSA-N 0 3 352.439 1.474 20 5 FDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000289482907 676143119 /nfs/dbraw/zinc/14/31/19/676143119.db2.gz IMAQHTKFCYLIQP-LLVKDONJSA-N 0 3 373.431 1.373 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279311060 675273832 /nfs/dbraw/zinc/27/38/32/675273832.db2.gz ASGCNXLXNBRSPI-UHFFFAOYSA-N 0 3 353.398 1.026 20 5 FDBDHN CCN1CCN(CCNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000285996471 675859356 /nfs/dbraw/zinc/85/93/56/675859356.db2.gz DDBQIOAZMKUYHQ-UHFFFAOYSA-N 0 3 351.407 1.134 20 5 FDBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000299367120 676531039 /nfs/dbraw/zinc/53/10/39/676531039.db2.gz QAKNTFHWIHTWQH-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363942372 676980029 /nfs/dbraw/zinc/98/00/29/676980029.db2.gz AKQXGRBMPXLBSI-VXGBXAGGSA-N 0 3 371.796 1.909 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000394820506 678798907 /nfs/dbraw/zinc/79/89/07/678798907.db2.gz UBHQPRWZNNGHBO-VIFPVBQESA-N 0 3 357.766 1.817 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000411394646 679027355 /nfs/dbraw/zinc/02/73/55/679027355.db2.gz UZWOYNWFAWOSPV-UHFFFAOYSA-N 0 3 350.419 1.888 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(=O)N(C)C)CC1 ZINC000411915716 679095764 /nfs/dbraw/zinc/09/57/64/679095764.db2.gz SYIALVUKTUDZDO-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000416497686 679640607 /nfs/dbraw/zinc/64/06/07/679640607.db2.gz UKAGDOOFFHFJFA-NSHDSACASA-N 0 3 350.400 1.373 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](C)N(CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419336984 680238726 /nfs/dbraw/zinc/23/87/26/680238726.db2.gz XQMRORADUYGQPH-ZIAGYGMSSA-N 0 3 353.419 1.369 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775902 681047543 /nfs/dbraw/zinc/04/75/43/681047543.db2.gz RAANSXXRPPQLHS-VXGBXAGGSA-N 0 3 350.375 1.046 20 5 FDBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000450732679 682777048 /nfs/dbraw/zinc/77/70/48/682777048.db2.gz JMCPDTNYRMBPCZ-IUCAKERBSA-N 0 3 360.208 1.902 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC000452134843 683036261 /nfs/dbraw/zinc/03/62/61/683036261.db2.gz VIIMJBAOTKUESB-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CNc1nc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000456014176 683557307 /nfs/dbraw/zinc/55/73/07/683557307.db2.gz WNNSKKLBZPXUPJ-KGLIPLIRSA-N 0 3 365.459 1.683 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC23CCOCC3)cc1 ZINC000514876129 689781949 /nfs/dbraw/zinc/78/19/49/689781949.db2.gz HLFDFSOWWKAVJC-OAHLLOKOSA-N 0 3 354.428 1.917 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000521897188 694447104 /nfs/dbraw/zinc/44/71/04/694447104.db2.gz SDQPEMCKYPLFML-UHFFFAOYSA-N 0 3 352.439 1.028 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000523659593 694537243 /nfs/dbraw/zinc/53/72/43/694537243.db2.gz JOBKEDIKQQUTKA-NWDGAFQWSA-N 0 3 350.375 1.003 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766449 721077192 /nfs/dbraw/zinc/07/71/92/721077192.db2.gz KHLSLIYFNMNLKG-HOTGVXAUSA-N 0 3 356.430 1.990 20 5 FDBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000411982886 785507233 /nfs/dbraw/zinc/50/72/33/785507233.db2.gz KRIPZDGIPORABL-MRXNPFEDSA-N 0 3 356.426 1.963 20 5 FDBDHN CC(C)(CN1CCOCC1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412001127 785510944 /nfs/dbraw/zinc/51/09/44/785510944.db2.gz FWLVYHZVJRNRLP-UHFFFAOYSA-N 0 3 362.430 1.184 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414535147 789617149 /nfs/dbraw/zinc/61/71/49/789617149.db2.gz KWAYIQOLQYMGBA-ABAIWWIYSA-N 0 3 374.340 1.785 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000378112102 793518881 /nfs/dbraw/zinc/51/88/81/793518881.db2.gz OEJKVJMIWQTRGU-OAHLLOKOSA-N 0 3 364.421 1.974 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000894015982 809868376 /nfs/dbraw/zinc/86/83/76/809868376.db2.gz GJKJGEWWKHAOTB-IAOVAPTHSA-N 0 3 362.430 1.896 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000894015984 809868628 /nfs/dbraw/zinc/86/86/28/809868628.db2.gz GJKJGEWWKHAOTB-RRQGHBQHSA-N 0 3 362.430 1.896 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)n1 ZINC000515197104 816147172 /nfs/dbraw/zinc/14/71/72/816147172.db2.gz BAVRCPTXDUESRW-UHFFFAOYSA-N 0 3 369.422 1.157 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515498861 816291152 /nfs/dbraw/zinc/29/11/52/816291152.db2.gz JUFSLSRUXUYZFV-CABCVRRESA-N 0 3 368.397 1.108 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425503289 816395338 /nfs/dbraw/zinc/39/53/38/816395338.db2.gz RWDYZKUTPPKNPA-CQSZACIVSA-N 0 3 374.401 1.861 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000505836109 816552098 /nfs/dbraw/zinc/55/20/98/816552098.db2.gz ANTPXGLHZIULAY-UHFFFAOYSA-N 0 3 364.402 1.991 20 5 FDBDHN Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000896219486 824210168 /nfs/dbraw/zinc/21/01/68/824210168.db2.gz FGSNVWMGUNGBGI-HOTGVXAUSA-N 0 3 362.430 1.644 20 5 FDBDHN CCN1CCN(CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000281695307 826170929 /nfs/dbraw/zinc/17/09/29/826170929.db2.gz VPQCWLNSWUTDNG-UHFFFAOYSA-N 0 3 364.446 1.426 20 5 FDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897040250 826820928 /nfs/dbraw/zinc/82/09/28/826820928.db2.gz DYLGLDNHJWASSD-RKCSUWQLSA-N 0 3 359.426 1.961 20 5 FDBDHN O=C1NC[C@H](O)CC12CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000897040619 826821874 /nfs/dbraw/zinc/82/18/74/826821874.db2.gz GNKPEEMRHWNIQT-GFCCVEGCSA-N 0 3 353.806 1.711 20 5 FDBDHN COCCN(CCN(C)C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897071260 826878884 /nfs/dbraw/zinc/87/88/84/826878884.db2.gz OSWJFHNWTSTBOI-CQSZACIVSA-N 0 3 352.435 1.918 20 5 FDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451589130 830402656 /nfs/dbraw/zinc/40/26/56/830402656.db2.gz SWNUJMODGFIMIB-OLZOCXBDSA-N 0 3 365.386 1.863 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000452345550 830615345 /nfs/dbraw/zinc/61/53/45/830615345.db2.gz FIUHFCDYXNBYOF-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN COc1nscc1CN(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964444 831931078 /nfs/dbraw/zinc/93/10/78/831931078.db2.gz IYAWVBBLLGMQST-ZIAGYGMSSA-N 0 3 368.459 1.487 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459969071 839154867 /nfs/dbraw/zinc/15/48/67/839154867.db2.gz GJUFXUOCRLZKBM-UHFFFAOYSA-N 0 3 374.441 1.640 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000913103639 861425140 /nfs/dbraw/zinc/42/51/40/861425140.db2.gz NAWQFKNJXMETQI-HOCLYGCPSA-N 0 3 357.414 1.818 20 5 FDBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000899663218 846558915 /nfs/dbraw/zinc/55/89/15/846558915.db2.gz CMXSWQMHHRHEHT-CABCVRRESA-N 0 3 350.444 1.823 20 5 FDBDHN Cn1ccnc1C(=O)c1ccc(N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000486012460 853384737 /nfs/dbraw/zinc/38/47/37/853384737.db2.gz CITNEDIYSUIECH-OKILXGFUSA-N 0 3 355.398 1.557 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000907547671 854346894 /nfs/dbraw/zinc/34/68/94/854346894.db2.gz JHWNGOMIRKDQAK-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)CN1CCCC1 ZINC000908207616 855196574 /nfs/dbraw/zinc/19/65/74/855196574.db2.gz ZQTJBBXKAKHVAQ-CYBMUJFWSA-N 0 3 355.822 1.754 20 5 FDBDHN CCN1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910291327 857067751 /nfs/dbraw/zinc/06/77/51/857067751.db2.gz CFPMFDRDKZCTMF-CYBMUJFWSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000912606566 859948294 /nfs/dbraw/zinc/94/82/94/859948294.db2.gz QYXNEWVDJOGCRN-UHFFFAOYSA-N 0 3 360.208 1.353 20 5 FDBDHN CN(CCO)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000912607768 859950517 /nfs/dbraw/zinc/95/05/17/859950517.db2.gz KPSRLRUJFDYTKK-UHFFFAOYSA-N 0 3 374.235 1.282 20 5 FDBDHN CNc1nc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000456000355 866631959 /nfs/dbraw/zinc/63/19/59/866631959.db2.gz LSPFOQHAIKECHM-UHFFFAOYSA-N 0 3 360.374 1.007 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3ccnc3[N+](=O)[O-])cc2)CC1 ZINC000918343731 884336536 /nfs/dbraw/zinc/33/65/36/884336536.db2.gz UKXQWCVUEDZXKY-UHFFFAOYSA-N 0 3 358.402 1.572 20 5 FDBDHN CCCc1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643316 884602491 /nfs/dbraw/zinc/60/24/91/884602491.db2.gz MLPFTTLQRBFQHJ-FDYHWXHSSA-N 0 3 351.407 1.204 20 5 FDBDHN Cn1cc(CN2C[C@@H](C[C@H]3COCCN3)c3ccccc32)c([N+](=O)[O-])n1 ZINC000923541880 889733044 /nfs/dbraw/zinc/73/30/44/889733044.db2.gz WSPBRXGATIVUKG-HIFRSBDPSA-N 0 3 357.414 1.811 20 5 FDBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842914950 907532216 /nfs/dbraw/zinc/53/22/16/907532216.db2.gz OHPXNJBCDKODFB-JGVFFNPUSA-N 0 3 366.237 1.761 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732114996 919050602 /nfs/dbraw/zinc/05/06/02/919050602.db2.gz UCQLVAFWZSIENJ-UHFFFAOYSA-N 0 3 374.445 1.040 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000733160801 920707254 /nfs/dbraw/zinc/70/72/54/920707254.db2.gz TTZJEQSXOFJHRU-OAHLLOKOSA-N 0 3 363.414 1.977 20 5 FDBDHN CNC(=O)c1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000743837787 926473370 /nfs/dbraw/zinc/47/33/70/926473370.db2.gz IKKQJZHLFKPZCT-KRWDZBQOSA-N 0 3 373.413 1.176 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3nnc(COc4ccccn4)n3CC2)C1 ZINC001169018780 928239857 /nfs/dbraw/zinc/23/98/57/928239857.db2.gz DSKOKALAISJLOS-CABCVRRESA-N 0 3 372.429 1.556 20 5 FDBDHN O=C(CCN1CCc2ccccc2C1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000786818189 932051235 /nfs/dbraw/zinc/05/12/35/932051235.db2.gz QNDCJWOMDMEXQS-UHFFFAOYSA-N 0 3 371.393 1.748 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@@H]1N1CCN(C)CC1 ZINC000787187710 932219891 /nfs/dbraw/zinc/21/98/91/932219891.db2.gz YOTJYOOQULQAHW-GUYCJALGSA-N 0 3 361.446 1.275 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787996021 932508719 /nfs/dbraw/zinc/50/87/19/932508719.db2.gz PWPIFMASMMXNAO-CMPLNLGQSA-N 0 3 354.794 1.691 20 5 FDBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170678998 941221822 /nfs/dbraw/zinc/22/18/22/941221822.db2.gz MARASCGUKNYDDZ-JTQLQIEISA-N 0 3 352.354 1.961 20 5 FDBDHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000812866187 941288924 /nfs/dbraw/zinc/28/89/24/941288924.db2.gz YLXBNABRIIIPOY-INIZCTEOSA-N 0 3 362.430 1.089 20 5 FDBDHN COc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(OC)c1 ZINC000813102332 941325952 /nfs/dbraw/zinc/32/59/52/941325952.db2.gz PSRMGAXKCPAYPH-WDEREUQCSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N+](=O)[O-] ZINC000813103418 941326520 /nfs/dbraw/zinc/32/65/20/941326520.db2.gz QCYNXSJIJQHHQF-SNVBAGLBSA-N 0 3 362.429 1.284 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813106385 941333949 /nfs/dbraw/zinc/33/39/49/941333949.db2.gz CDSONMQRBHSSEE-LBPRGKRZSA-N 0 3 356.400 1.683 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)[N+](=O)[O-] ZINC000813109573 941334225 /nfs/dbraw/zinc/33/42/25/941334225.db2.gz MKBBAVDDHOMLLE-KGLIPLIRSA-N 0 3 350.371 1.512 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109424 941334634 /nfs/dbraw/zinc/33/46/34/941334634.db2.gz JXIKAZYNVDQDAR-CYBMUJFWSA-N 0 3 372.443 1.858 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813110856 941334845 /nfs/dbraw/zinc/33/48/45/941334845.db2.gz KUDMAOMCVXVZJF-GXTWGEPZSA-N 0 3 352.362 1.815 20 5 FDBDHN Cc1nnc(SCC(=O)OCC(C)[N+](=O)[O-])n1Cc1ccccc1 ZINC000813113481 941335891 /nfs/dbraw/zinc/33/58/91/941335891.db2.gz QOJWHGORTBYVBS-NSHDSACASA-N 0 3 350.400 1.935 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817402416 942763164 /nfs/dbraw/zinc/76/31/64/942763164.db2.gz SYHZJAKQUSROIM-NSHDSACASA-N 0 3 352.366 1.533 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCNS(=O)(=O)c2ccccc2)c1 ZINC000818948271 943358765 /nfs/dbraw/zinc/35/87/65/943358765.db2.gz OIQROCVSKZYQIA-INIZCTEOSA-N 0 3 365.411 1.196 20 5 FDBDHN CN1CCN(c2ncccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980274 943369107 /nfs/dbraw/zinc/36/91/07/943369107.db2.gz BEXPUVRXZZGIBB-GOSISDBHSA-N 0 3 371.441 1.565 20 5 FDBDHN O=C1[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccn1 ZINC000819223599 943495677 /nfs/dbraw/zinc/49/56/77/943495677.db2.gz HMRHFPKLWCUWOC-ROUUACIJSA-N 0 3 370.409 1.804 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000823195789 945556995 /nfs/dbraw/zinc/55/69/95/945556995.db2.gz LMGXVVIGEFQHOQ-GFCCVEGCSA-N 0 3 364.377 1.906 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC001136817557 946210577 /nfs/dbraw/zinc/21/05/77/946210577.db2.gz SVDQMRHNZYOPQB-UHFFFAOYSA-N 0 3 352.410 1.752 20 5 FDBDHN COC(=O)c1cc(NC(=O)c2ccnn2CCN(C)C)cc([N+](=O)[O-])c1 ZINC001136960154 946870646 /nfs/dbraw/zinc/87/06/46/946870646.db2.gz LDLLHCWWICDTAV-UHFFFAOYSA-N 0 3 361.358 1.392 20 5 FDBDHN CN(C)CCN1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1=O ZINC000844714517 948321259 /nfs/dbraw/zinc/32/12/59/948321259.db2.gz PBCZKQCDXYGVCD-UHFFFAOYSA-N 0 3 372.429 1.122 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000844760959 948369667 /nfs/dbraw/zinc/36/96/67/948369667.db2.gz ZNICHZCWLDUKHB-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CC([C@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872610 950043357 /nfs/dbraw/zinc/04/33/57/950043357.db2.gz KINJCSMXRZPNKP-PXAZEXFGSA-N 0 3 368.361 1.714 20 5 FDBDHN CC([C@@H](OC(=O)Cc1nc2ncccn2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845875130 950046998 /nfs/dbraw/zinc/04/69/98/950046998.db2.gz LRUTXVDDKZDYAN-MEBBXXQBSA-N 0 3 359.317 1.756 20 5 FDBDHN CC([C@@H](OC(=O)CN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878761 950051424 /nfs/dbraw/zinc/05/14/24/950051424.db2.gz VVNXDKULOYIBBG-IINYFYTJSA-N 0 3 360.363 1.111 20 5 FDBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845882240 950061141 /nfs/dbraw/zinc/06/11/41/950061141.db2.gz RUMZANAKNLSBDU-YGRLFVJLSA-N 0 3 352.322 1.627 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234047 961972065 /nfs/dbraw/zinc/97/20/65/961972065.db2.gz OXVHNATWEXZQBW-NWANDNLSSA-N 0 3 364.398 1.810 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCC(O)CC2)CC1 ZINC001173697252 962587795 /nfs/dbraw/zinc/58/77/95/962587795.db2.gz OYOPQLMSMQMORH-UHFFFAOYSA-N 0 3 369.443 1.205 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001182873843 962619461 /nfs/dbraw/zinc/61/94/61/962619461.db2.gz MPEASUAUHJWGBI-MRVWCRGKSA-N 0 3 354.403 1.965 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(=O)[nH]n(C)c2C1 ZINC001175372361 963175186 /nfs/dbraw/zinc/17/51/86/963175186.db2.gz VMGICBKHMUVUIC-UHFFFAOYSA-N 0 3 359.386 1.729 20 5 FDBDHN COc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853267815 967951592 /nfs/dbraw/zinc/95/15/92/967951592.db2.gz DFHAGDGFASLPHV-UHFFFAOYSA-N 0 3 362.430 1.656 20 5 FDBDHN CCN(Cc1nc(C)no1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712977 1013853800 /nfs/dbraw/zinc/85/38/00/1013853800.db2.gz DULATCFQZMPKOP-ZIAGYGMSSA-N 0 3 351.407 1.104 20 5 FDBDHN COC(=O)C1([C@@]2(O)CCCN(CCn3c(C)ncc3[N+](=O)[O-])C2)CCC1 ZINC001198132668 972773106 /nfs/dbraw/zinc/77/31/06/972773106.db2.gz ZRGQOCHVPSOEGD-QGZVFWFLSA-N 0 3 366.418 1.270 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865509315 974332470 /nfs/dbraw/zinc/33/24/70/974332470.db2.gz WZEWTDIOWWRHDN-UHFFFAOYSA-N 0 3 368.409 1.217 20 5 FDBDHN Cc1ccc(CNCc2cnc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000865788056 974488001 /nfs/dbraw/zinc/48/80/01/974488001.db2.gz XMCQCRBPOZZTES-UHFFFAOYSA-N 0 3 356.430 1.735 20 5 FDBDHN COCCN1CCC(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000847881928 976112996 /nfs/dbraw/zinc/11/29/96/976112996.db2.gz WQNZERSIWUINGR-UHFFFAOYSA-N 0 3 352.343 1.591 20 5 FDBDHN CO[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000860777845 983513315 /nfs/dbraw/zinc/51/33/15/983513315.db2.gz XFKKKYKMVFZSPR-YUELXQCFSA-N 0 3 366.370 1.621 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CC=C(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000862466864 984397575 /nfs/dbraw/zinc/39/75/75/984397575.db2.gz RKTBPVMCJJASNJ-ZDUSSCGKSA-N 0 3 364.354 1.498 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363088518 988912509 /nfs/dbraw/zinc/91/25/09/988912509.db2.gz LRLFZFIWVWPIIX-ZGRWHYIRSA-N 0 3 372.425 1.549 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000363243377 989026665 /nfs/dbraw/zinc/02/66/65/989026665.db2.gz WEQXCDSSQUEGHI-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@H](C)N(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000298372923 990077116 /nfs/dbraw/zinc/07/71/16/990077116.db2.gz WAVRNFPTQSPFCA-LBPRGKRZSA-N 0 3 359.386 1.129 20 5 FDBDHN COC(=O)CN1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371924438 990828257 /nfs/dbraw/zinc/82/82/57/990828257.db2.gz VABBPEYYHJZTAY-UHFFFAOYSA-N 0 3 364.402 1.104 20 5 FDBDHN CC1(C)NC(=O)N(CCCN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372328696 991016514 /nfs/dbraw/zinc/01/65/14/991016514.db2.gz CBVJAUBIJXFQSX-LBPRGKRZSA-N 0 3 364.406 1.149 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280716 992104440 /nfs/dbraw/zinc/10/44/40/992104440.db2.gz MMKLHNZZWXRCTM-AYDFFVQHSA-N 0 3 363.414 1.453 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000876469822 992625638 /nfs/dbraw/zinc/62/56/38/992625638.db2.gz IREMUHNQJKIVHZ-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000876469998 992625768 /nfs/dbraw/zinc/62/57/68/992625768.db2.gz LYMKDCMOUBLOJU-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000876471989 992634296 /nfs/dbraw/zinc/63/42/96/992634296.db2.gz RGYPSMLALGGBKU-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN Cn1ccnc1[C@]([O-])(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877148930 993072572 /nfs/dbraw/zinc/07/25/72/993072572.db2.gz ZBHKBHMBECFMKF-CQSZACIVSA-N 0 3 358.320 1.911 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467721018 993363070 /nfs/dbraw/zinc/36/30/70/993363070.db2.gz RMAUMAKSDFIIET-PXAZEXFGSA-N 0 3 355.398 1.993 20 5 FDBDHN Cc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000923914020 994263750 /nfs/dbraw/zinc/26/37/50/994263750.db2.gz XUZJWBLUJDRKRC-INIZCTEOSA-N 0 3 362.430 1.956 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271448262 999702936 /nfs/dbraw/zinc/70/29/36/999702936.db2.gz VCVQQXBREGMGPO-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000928441216 1001523243 /nfs/dbraw/zinc/52/32/43/1001523243.db2.gz DISRFFPAACYDCT-GRYCIOLGSA-N 0 3 366.443 1.470 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O)(C2CCC2)CC1 ZINC000932817039 1005195523 /nfs/dbraw/zinc/19/55/23/1005195523.db2.gz CEIYCUIMUDBOBL-OAHLLOKOSA-N 0 3 350.415 1.962 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000932878360 1005226898 /nfs/dbraw/zinc/22/68/98/1005226898.db2.gz NBPXKAZSDOBCBS-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN O=C(CN1CCC[C@@H]1CCO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778271049 1005805419 /nfs/dbraw/zinc/80/54/19/1005805419.db2.gz UQZXTKOUTAEKSZ-OAHLLOKOSA-N 0 3 362.430 1.090 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000193490229 178166128 /nfs/dbraw/zinc/16/61/28/178166128.db2.gz ZLGNWKKAHRWUSY-BETUJISGSA-N 0 3 351.407 1.590 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCNCC1 ZINC000236623686 178276965 /nfs/dbraw/zinc/27/69/65/178276965.db2.gz WRTYOUTVKDHGGF-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000237843075 178333584 /nfs/dbraw/zinc/33/35/84/178333584.db2.gz QGCONHMKFOYWTO-INIZCTEOSA-N 0 3 360.414 1.330 20 5 FDBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245441539 178358977 /nfs/dbraw/zinc/35/89/77/178358977.db2.gz VMIHWHJCEXMXBE-UKRRQHHQSA-N 0 3 363.422 1.204 20 5 FDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC000515318194 539023828 /nfs/dbraw/zinc/02/38/28/539023828.db2.gz SNTLACSQGLLKSR-UHFFFAOYSA-N 0 3 352.354 1.829 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCCn2ccnc2)cc1 ZINC000517025407 539342988 /nfs/dbraw/zinc/34/29/88/539342988.db2.gz RAVHJLSHUJOBJC-UHFFFAOYSA-N 0 3 352.416 1.635 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000265515653 179395917 /nfs/dbraw/zinc/39/59/17/179395917.db2.gz GZDGCXZNESAFCN-ZDUSSCGKSA-N 0 3 351.407 1.027 20 5 FDBDHN CC(C)OCCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000267008496 179747220 /nfs/dbraw/zinc/74/72/20/179747220.db2.gz FXBJPBLUMJZDPI-UHFFFAOYSA-N 0 3 351.407 1.390 20 5 FDBDHN CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000268181405 180018515 /nfs/dbraw/zinc/01/85/15/180018515.db2.gz QWSRKOWNMBQUOZ-NSHDSACASA-N 0 3 368.821 1.531 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)ccc1[N+](=O)[O-] ZINC000268473701 180091661 /nfs/dbraw/zinc/09/16/61/180091661.db2.gz WYPSFRAYYGICCZ-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000530476230 539980205 /nfs/dbraw/zinc/98/02/05/539980205.db2.gz ZMLWYJJLFWBLHH-HNNXBMFYSA-N 0 3 350.467 1.724 20 5 FDBDHN CN(C)[C@@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCSC1 ZINC000530650954 540015959 /nfs/dbraw/zinc/01/59/59/540015959.db2.gz DMUJAJWANHYVMT-OAHLLOKOSA-N 0 3 353.400 1.491 20 5 FDBDHN CNC(=O)c1ccc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000274696747 181148850 /nfs/dbraw/zinc/14/88/50/181148850.db2.gz SLMDIAZVBPTMDD-JKSUJKDBSA-N 0 3 364.471 1.970 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000534916410 540426531 /nfs/dbraw/zinc/42/65/31/540426531.db2.gz ACPKETVXYFAEOE-RDJZCZTQSA-N 0 3 370.409 1.603 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536234562 540570032 /nfs/dbraw/zinc/57/00/32/540570032.db2.gz SIONWEOADVSTTR-QGZVFWFLSA-N 0 3 364.446 1.890 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000536434777 540594003 /nfs/dbraw/zinc/59/40/03/540594003.db2.gz VQLNBPSDCWNWRT-ZBFHGGJFSA-N 0 3 358.398 1.536 20 5 FDBDHN CN(C)CCOCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000540843917 541101276 /nfs/dbraw/zinc/10/12/76/541101276.db2.gz UZNZIOJZNMNLEN-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN CN(C)CCOCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000541534274 541225518 /nfs/dbraw/zinc/22/55/18/541225518.db2.gz UUEVWSMCQSXHNZ-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000542566595 541424890 /nfs/dbraw/zinc/42/48/90/541424890.db2.gz LRUSPPCUQLVNQL-OAHLLOKOSA-N 0 3 364.402 1.102 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCN(CC3CC3)CC2)cc1 ZINC000543599463 541619071 /nfs/dbraw/zinc/61/90/71/541619071.db2.gz XMVDCRWKOZIPDY-UHFFFAOYSA-N 0 3 367.471 1.833 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543761650 541656601 /nfs/dbraw/zinc/65/66/01/541656601.db2.gz ZLUYOQSIMQQXEY-QWHCGFSZSA-N 0 3 368.459 1.921 20 5 FDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000544119105 541717857 /nfs/dbraw/zinc/71/78/57/541717857.db2.gz RDYTZVKSBRZZFC-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN CN(C)CCOc1ccccc1-c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000545085688 541871043 /nfs/dbraw/zinc/87/10/43/541871043.db2.gz BCYFAQRZDDNCQY-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN CC[C@H](C)N(CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000287339746 183268308 /nfs/dbraw/zinc/26/83/08/183268308.db2.gz KXRRSVGZOOFTHK-HNNXBMFYSA-N 0 3 364.446 1.336 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000288079220 183387672 /nfs/dbraw/zinc/38/76/72/183387672.db2.gz KUPNREHXOCJHLW-DZGCQCFKSA-N 0 3 360.414 1.927 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295044871 184029547 /nfs/dbraw/zinc/02/95/47/184029547.db2.gz XMWAYKQRNOYOML-GFCCVEGCSA-N 0 3 368.459 1.423 20 5 FDBDHN COC(=O)Cc1ccc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000296602248 184182795 /nfs/dbraw/zinc/18/27/95/184182795.db2.gz SVVMOCRUTJKVEG-UHFFFAOYSA-N 0 3 350.419 1.360 20 5 FDBDHN C[C@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296710288 184192479 /nfs/dbraw/zinc/19/24/79/184192479.db2.gz LWXJGDYCGZYCDK-WFASDCNBSA-N 0 3 369.377 1.903 20 5 FDBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000296958130 184219368 /nfs/dbraw/zinc/21/93/68/184219368.db2.gz CLXPTILUBSALHP-CVEARBPZSA-N 0 3 357.414 1.988 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000297125068 184236959 /nfs/dbraw/zinc/23/69/59/184236959.db2.gz XBBPWGNEHPSPCC-RYUDHWBXSA-N 0 3 364.377 1.676 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCN(C3CC3)CC2)cc1 ZINC000297285477 184254010 /nfs/dbraw/zinc/25/40/10/184254010.db2.gz AANMYCVKOFSFBG-UHFFFAOYSA-N 0 3 353.444 1.585 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000297457256 184274362 /nfs/dbraw/zinc/27/43/62/184274362.db2.gz VRKRRLBJUDWHJQ-HNNXBMFYSA-N 0 3 350.419 1.283 20 5 FDBDHN CCc1n[nH]c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000172355073 258274532 /nfs/dbraw/zinc/27/45/32/258274532.db2.gz VGGRIDCJEXDIPH-UHFFFAOYSA-N 0 3 365.434 1.645 20 5 FDBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000551715701 543327392 /nfs/dbraw/zinc/32/73/92/543327392.db2.gz GXLFAOFDGQKESB-PBHICJAKSA-N 0 3 373.409 1.767 20 5 FDBDHN CSc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552027277 543407644 /nfs/dbraw/zinc/40/76/44/543407644.db2.gz BGNKMAKZOLCCBQ-INIZCTEOSA-N 0 3 351.428 1.503 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000552124715 543422280 /nfs/dbraw/zinc/42/22/80/543422280.db2.gz IZPHKBRTAAWEQD-BETUJISGSA-N 0 3 351.403 1.671 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000552099979 543417750 /nfs/dbraw/zinc/41/77/50/543417750.db2.gz ZIYOOBDNTLKILK-NEPJUHHUSA-N 0 3 369.443 1.867 20 5 FDBDHN O=C(CNC(=O)c1csc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000552354816 543455319 /nfs/dbraw/zinc/45/53/19/543455319.db2.gz KXBOERDKNWZCFU-UHFFFAOYSA-N 0 3 354.432 1.378 20 5 FDBDHN COc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000074137882 172073789 /nfs/dbraw/zinc/07/37/89/172073789.db2.gz GWPNUEVOIDQEQG-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000103449128 172365856 /nfs/dbraw/zinc/36/58/56/172365856.db2.gz FIIOIZCGGDXEME-UHFFFAOYSA-N 0 3 368.459 1.591 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755556 172383888 /nfs/dbraw/zinc/38/38/88/172383888.db2.gz OCUKEEBDHMQIOV-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117746235 172703400 /nfs/dbraw/zinc/70/34/00/172703400.db2.gz GRMCIIDVUDODTR-UHFFFAOYSA-N 0 3 354.838 1.497 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000133280636 173260863 /nfs/dbraw/zinc/26/08/63/173260863.db2.gz HPSDIZZRTYULPQ-HIFRSBDPSA-N 0 3 360.414 1.927 20 5 FDBDHN CCOC(=O)CNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000134534566 173327411 /nfs/dbraw/zinc/32/74/11/173327411.db2.gz QSNHWKGQQJDMTR-UHFFFAOYSA-N 0 3 363.414 1.795 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000137022080 173367424 /nfs/dbraw/zinc/36/74/24/173367424.db2.gz FEVJAPPESORSIQ-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1Cc1ccccc1 ZINC000137464731 173370851 /nfs/dbraw/zinc/37/08/51/173370851.db2.gz PZEQARIGTZNRAJ-GOEBONIOSA-N 0 3 370.409 1.536 20 5 FDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN1CCOCC1 ZINC000150726964 173378587 /nfs/dbraw/zinc/37/85/87/173378587.db2.gz WREMYOVOLVHXCQ-GFCCVEGCSA-N 0 3 355.366 1.197 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN1CCOCC1 ZINC000150724034 173378708 /nfs/dbraw/zinc/37/87/08/173378708.db2.gz NLDFPPILCVNTIX-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000151167187 173392364 /nfs/dbraw/zinc/39/23/64/173392364.db2.gz IHBHFOAFOUDLTR-LLVKDONJSA-N 0 3 368.821 1.531 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175822541 174030800 /nfs/dbraw/zinc/03/08/00/174030800.db2.gz DXEQUCMNHIRLHP-QEJZJMRPSA-N 0 3 366.443 1.802 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CN1C1CC1 ZINC000177193586 174113768 /nfs/dbraw/zinc/11/37/68/174113768.db2.gz VYEADLQLPWIAGX-NWDGAFQWSA-N 0 3 356.386 1.531 20 5 FDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000181305213 174215964 /nfs/dbraw/zinc/21/59/64/174215964.db2.gz HXGPIAWWTNYMFP-CQSZACIVSA-N 0 3 360.418 1.611 20 5 FDBDHN COc1ccc(OCCN2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173803263 258311771 /nfs/dbraw/zinc/31/17/71/258311771.db2.gz KZVIWFUKHUARHQ-HNNXBMFYSA-N 0 3 365.430 1.636 20 5 FDBDHN COCCN1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173835924 258312421 /nfs/dbraw/zinc/31/24/21/258312421.db2.gz INCJPKTYJXQYNL-UHFFFAOYSA-N 0 3 350.419 1.258 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000281503058 258663381 /nfs/dbraw/zinc/66/33/81/258663381.db2.gz UVJUOOLOGCJQPS-MRXNPFEDSA-N 0 3 353.444 1.836 20 5 FDBDHN CN1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1(C)C ZINC000553228577 543591715 /nfs/dbraw/zinc/59/17/15/543591715.db2.gz SYYSICNLRMLUEB-UHFFFAOYSA-N 0 3 360.418 1.682 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@@H](C)C2)n1 ZINC000553583344 543663162 /nfs/dbraw/zinc/66/31/62/543663162.db2.gz ZFOQMEOMYQVAQN-LBPRGKRZSA-N 0 3 352.391 1.689 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCN(c2ncccn2)C1 ZINC000554720171 543859836 /nfs/dbraw/zinc/85/98/36/543859836.db2.gz KPOAXPMSDLDJBB-LSDHHAIUSA-N 0 3 373.413 1.383 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(O)CCS(=O)(=O)CC1)CCC2 ZINC000556606423 544162320 /nfs/dbraw/zinc/16/23/20/544162320.db2.gz XMAJALPAMBYGOT-OAHLLOKOSA-N 0 3 354.428 1.502 20 5 FDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCCC1 ZINC000557930266 544363876 /nfs/dbraw/zinc/36/38/76/544363876.db2.gz BVAYSBRLIFGOFO-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000558031603 544375422 /nfs/dbraw/zinc/37/54/22/544375422.db2.gz OJYJTXABSCXPAS-NSHDSACASA-N 0 3 369.443 1.930 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000559198305 544605714 /nfs/dbraw/zinc/60/57/14/544605714.db2.gz MBSAMFZGFVDGGA-CQSZACIVSA-N 0 3 364.450 1.052 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000299474467 259000194 /nfs/dbraw/zinc/00/01/94/259000194.db2.gz YTXIXOBHCWLBRV-SFHVURJKSA-N 0 3 360.414 1.786 20 5 FDBDHN CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)N(C)C)cc1 ZINC000299529703 259004232 /nfs/dbraw/zinc/00/42/32/259004232.db2.gz RFXTXSZQWVVIDX-KRWDZBQOSA-N 0 3 372.425 1.738 20 5 FDBDHN CCN1CCN([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301615163 259030599 /nfs/dbraw/zinc/03/05/99/259030599.db2.gz IUSDOPBWLFAQJE-GFCCVEGCSA-N 0 3 363.418 1.364 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301829316 259034461 /nfs/dbraw/zinc/03/44/61/259034461.db2.gz QXQXKTJPSMGFSP-ZDUSSCGKSA-N 0 3 353.810 1.562 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000301924569 259036422 /nfs/dbraw/zinc/03/64/22/259036422.db2.gz KZYSACGCPYZQRL-ZDUSSCGKSA-N 0 3 366.393 1.661 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332515059 259272275 /nfs/dbraw/zinc/27/22/75/259272275.db2.gz WMXBOPPBSGTWSQ-JSGCOSHPSA-N 0 3 363.414 1.850 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367452709 260043770 /nfs/dbraw/zinc/04/37/70/260043770.db2.gz VTRDUXCLMOEECX-SUMWQHHRSA-N 0 3 362.386 1.189 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622767 260069610 /nfs/dbraw/zinc/06/96/10/260069610.db2.gz JVXBOJHEQLGJLV-QFBILLFUSA-N 0 3 362.474 1.588 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000368595331 260206787 /nfs/dbraw/zinc/20/67/87/260206787.db2.gz SMRXVYDBBNULJE-BLLLJJGKSA-N 0 3 361.398 1.938 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000368958290 260266628 /nfs/dbraw/zinc/26/66/28/260266628.db2.gz KIPFIPPWOHXEBG-CYBMUJFWSA-N 0 3 358.398 1.672 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@]1(CO)Cc1ccccc1 ZINC000368996974 260274399 /nfs/dbraw/zinc/27/43/99/260274399.db2.gz YOWQNOWANDOUAP-LJQANCHMSA-N 0 3 357.410 1.826 20 5 FDBDHN COC(=O)[C@]12CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2 ZINC000373610956 261024413 /nfs/dbraw/zinc/02/44/13/261024413.db2.gz OGGCUHDRDNQLLY-SUMWQHHRSA-N 0 3 350.371 1.485 20 5 FDBDHN C[C@@H](CO)N1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000373741604 261036237 /nfs/dbraw/zinc/03/62/37/261036237.db2.gz MEASRVHRIOHZNI-ZDUSSCGKSA-N 0 3 361.402 1.533 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000374053661 261071175 /nfs/dbraw/zinc/07/11/75/261071175.db2.gz UQMVKRYRDMZHLL-CABCVRRESA-N 0 3 363.414 1.652 20 5 FDBDHN Cc1c(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000374324242 261110538 /nfs/dbraw/zinc/11/05/38/261110538.db2.gz AYEITXXFAXYKSU-MAUKXSAKSA-N 0 3 374.485 1.930 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375273864 261303364 /nfs/dbraw/zinc/30/33/64/261303364.db2.gz CZYMIIDBOYZXRI-LPHOPBHVSA-N 0 3 371.441 1.776 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCN(CCN3CCCOCC3)CC2)cc1F ZINC000375339173 261316908 /nfs/dbraw/zinc/31/69/08/261316908.db2.gz WVVWIMBMYJLGLI-UHFFFAOYSA-N 0 3 366.437 1.574 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375339458 261317738 /nfs/dbraw/zinc/31/77/38/261317738.db2.gz ZROWUUJEKICQLM-WBMJQRKESA-N 0 3 366.805 1.834 20 5 FDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000378302049 262004272 /nfs/dbraw/zinc/00/42/72/262004272.db2.gz STTDTQVSIVYLCH-HNNXBMFYSA-N 0 3 352.822 1.597 20 5 FDBDHN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378374037 262014347 /nfs/dbraw/zinc/01/43/47/262014347.db2.gz XHTAINXYMGPILA-HNNXBMFYSA-N 0 3 360.458 1.764 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000378457549 262028931 /nfs/dbraw/zinc/02/89/31/262028931.db2.gz WAUPULZVXJORLH-FZMZJTMJSA-N 0 3 362.386 1.095 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000408145164 262088116 /nfs/dbraw/zinc/08/81/16/262088116.db2.gz QLDPUOBMWPDXOS-IUODEOHRSA-N 0 3 361.398 1.461 20 5 FDBDHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000270467152 674214434 /nfs/dbraw/zinc/21/44/34/674214434.db2.gz LLOILORHUBGSAY-WFASDCNBSA-N 0 3 369.443 1.730 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000271116285 674311591 /nfs/dbraw/zinc/31/15/91/674311591.db2.gz KAJBDWJZSSUEEV-ZIAGYGMSSA-N 0 3 368.415 1.929 20 5 FDBDHN COC1CCN(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000934305498 782125357 /nfs/dbraw/zinc/12/53/57/782125357.db2.gz QTLPUGRMMNYNJK-UHFFFAOYSA-N 0 3 353.394 1.894 20 5 FDBDHN COc1cc(OCC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271195045 674320392 /nfs/dbraw/zinc/32/03/92/674320392.db2.gz WLOQSHHBERRQQL-ZFWWWQNUSA-N 0 3 369.443 1.486 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000069526805 521901391 /nfs/dbraw/zinc/90/13/91/521901391.db2.gz SDACNFJYJPKILX-AWEZNQCLSA-N 0 3 353.444 1.914 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000046863247 522370713 /nfs/dbraw/zinc/37/07/13/522370713.db2.gz MZVAIQBNRLEBQC-UONOGXRCSA-N 0 3 362.430 1.561 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000046863244 522371332 /nfs/dbraw/zinc/37/13/32/522371332.db2.gz MZVAIQBNRLEBQC-ZIAGYGMSSA-N 0 3 362.430 1.561 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063803179 522653611 /nfs/dbraw/zinc/65/36/11/522653611.db2.gz XTFMCAMDTWNMQA-UHFFFAOYSA-N 0 3 353.398 1.074 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000063850920 522661762 /nfs/dbraw/zinc/66/17/62/522661762.db2.gz PFRXNALXNPMJFV-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)s1 ZINC000064244222 522687998 /nfs/dbraw/zinc/68/79/98/522687998.db2.gz DTKDSPPCNBSQNR-UHFFFAOYSA-N 0 3 354.413 1.562 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(NC(C)=O)CC1 ZINC000050993483 522957701 /nfs/dbraw/zinc/95/77/01/522957701.db2.gz HJJPFGGZMPBGOH-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000052160004 523130230 /nfs/dbraw/zinc/13/02/30/523130230.db2.gz ZFDIIHOVASZJLB-NEPJUHHUSA-N 0 3 356.448 1.775 20 5 FDBDHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000067414203 523436952 /nfs/dbraw/zinc/43/69/52/523436952.db2.gz WIGKFSPFLSERFA-HOCLYGCPSA-N 0 3 351.403 1.183 20 5 FDBDHN COC1CCN(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000080171043 523844499 /nfs/dbraw/zinc/84/44/99/523844499.db2.gz PSPKWWZOKSTSAQ-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000172126824 524125721 /nfs/dbraw/zinc/12/57/21/524125721.db2.gz ZQZPKPBAUVMNAU-KRWDZBQOSA-N 0 3 374.441 1.720 20 5 FDBDHN CN(CCN1CCCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110710507 524128275 /nfs/dbraw/zinc/12/82/75/524128275.db2.gz BQPTZYLPAMROTO-CYBMUJFWSA-N 0 3 364.402 1.347 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@@H](N2CCCC2)C1 ZINC000136863062 524218016 /nfs/dbraw/zinc/21/80/16/524218016.db2.gz MKDRXAPOSLYFNP-CQSZACIVSA-N 0 3 365.455 1.990 20 5 FDBDHN CCOc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000141622714 524336162 /nfs/dbraw/zinc/33/61/62/524336162.db2.gz XTRMBZRVQYUOKJ-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN COc1cc(OCC(=O)N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000121996484 524427552 /nfs/dbraw/zinc/42/75/52/524427552.db2.gz FXXRFSOJJABFFA-CYBMUJFWSA-N 0 3 351.403 1.973 20 5 FDBDHN COCCN1CCC(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173645331 524428129 /nfs/dbraw/zinc/42/81/29/524428129.db2.gz FECJYUGPQHMLQN-QGZVFWFLSA-N 0 3 362.430 1.401 20 5 FDBDHN CN(C(=O)CN1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000151308495 524553617 /nfs/dbraw/zinc/55/36/17/524553617.db2.gz BIPRROFVQXLCRD-UHFFFAOYSA-N 0 3 355.398 1.775 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112917024 524593320 /nfs/dbraw/zinc/59/33/20/524593320.db2.gz NUWFXQSXXQKGCY-OAHLLOKOSA-N 0 3 363.462 1.539 20 5 FDBDHN CCCC(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090524791 524600082 /nfs/dbraw/zinc/60/00/82/524600082.db2.gz VLYSJGFWMPJPCJ-AWEZNQCLSA-N 0 3 350.419 1.385 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159381434 524656679 /nfs/dbraw/zinc/65/66/79/524656679.db2.gz AJEQRZODTGBAGS-MRXNPFEDSA-N 0 3 362.430 1.518 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000174665901 524680865 /nfs/dbraw/zinc/68/08/65/524680865.db2.gz DUYCCPMLSULHAA-LSDHHAIUSA-N 0 3 366.443 1.895 20 5 FDBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174710546 524697782 /nfs/dbraw/zinc/69/77/82/524697782.db2.gz LJFVVMFTIQPYCU-PBHICJAKSA-N 0 3 373.413 1.503 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000123374022 524740805 /nfs/dbraw/zinc/74/08/05/524740805.db2.gz ZRXWFJVIIWBHJU-RYUDHWBXSA-N 0 3 362.386 1.444 20 5 FDBDHN CC(C)OCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174844222 524758156 /nfs/dbraw/zinc/75/81/56/524758156.db2.gz PZOODPJGBHXALH-UHFFFAOYSA-N 0 3 367.450 1.435 20 5 FDBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)c2ccncc21 ZINC000114450864 524802888 /nfs/dbraw/zinc/80/28/88/524802888.db2.gz SSOAMEGHTRTGSQ-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000152331283 524850133 /nfs/dbraw/zinc/85/01/33/524850133.db2.gz YRKIAJVPDSBSMR-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152787245 525006009 /nfs/dbraw/zinc/00/60/09/525006009.db2.gz MZWOZVAWJCPYBY-KRWDZBQOSA-N 0 3 361.402 1.038 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000124814696 525083912 /nfs/dbraw/zinc/08/39/12/525083912.db2.gz DZZWMHWMMMPUHU-DGCLKSJQSA-N 0 3 374.401 1.264 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(CC2CCCCC2)CC1 ZINC000161852357 525178136 /nfs/dbraw/zinc/17/81/36/525178136.db2.gz RNAIEAZRLSPRJC-UHFFFAOYSA-N 0 3 364.450 1.699 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000162167304 525220882 /nfs/dbraw/zinc/22/08/82/525220882.db2.gz XFELTTBMUZONSD-UHFFFAOYSA-N 0 3 358.402 1.936 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000162228796 525229751 /nfs/dbraw/zinc/22/97/51/525229751.db2.gz PDIZDFDJUMYTLH-INIZCTEOSA-N 0 3 350.394 1.472 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000125994372 525259939 /nfs/dbraw/zinc/25/99/39/525259939.db2.gz HBNHETUTNCPRAD-INIZCTEOSA-N 0 3 373.457 1.911 20 5 FDBDHN C[C@H]1CCC[C@@](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)(N(C)C)C1 ZINC000162502274 525269123 /nfs/dbraw/zinc/26/91/23/525269123.db2.gz VSMABHNGUPXORT-SUMWQHHRSA-N 0 3 350.419 1.383 20 5 FDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C1CCOCC1 ZINC000153669552 525281994 /nfs/dbraw/zinc/28/19/94/525281994.db2.gz WJSRILNZNBTNHK-KRWDZBQOSA-N 0 3 362.430 1.766 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000126387882 525306234 /nfs/dbraw/zinc/30/62/34/525306234.db2.gz MUTGAFSJPGXKPS-ZDUSSCGKSA-N 0 3 351.407 1.045 20 5 FDBDHN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000177784921 525346896 /nfs/dbraw/zinc/34/68/96/525346896.db2.gz MOVDKPVHBRMKEB-GOEBONIOSA-N 0 3 362.430 1.572 20 5 FDBDHN CC1(C)C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000178001222 525369989 /nfs/dbraw/zinc/36/99/89/525369989.db2.gz WDCNKTPSJSAUGY-CQSZACIVSA-N 0 3 371.459 1.809 20 5 FDBDHN Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000127953920 525483680 /nfs/dbraw/zinc/48/36/80/525483680.db2.gz HSOSADZKYCGSBY-HNNXBMFYSA-N 0 3 364.446 1.726 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc21 ZINC000165415026 525550241 /nfs/dbraw/zinc/55/02/41/525550241.db2.gz MWKUELBUVRTWMP-UHFFFAOYSA-N 0 3 374.357 1.050 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000107261695 525856118 /nfs/dbraw/zinc/85/61/18/525856118.db2.gz JRQHJTISNDBTJX-UHFFFAOYSA-N 0 3 358.398 1.959 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000171129654 525863948 /nfs/dbraw/zinc/86/39/48/525863948.db2.gz STPRSHMXIMBQAL-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN CN(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000120287233 526017900 /nfs/dbraw/zinc/01/79/00/526017900.db2.gz ZECQGBQFXGAEEE-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Cn3ccnn3)CC2)c1 ZINC000156101349 526055652 /nfs/dbraw/zinc/05/56/52/526055652.db2.gz HHDFGBSYEYTCHV-MRXNPFEDSA-N 0 3 361.402 1.338 20 5 FDBDHN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1CCN(C2CC2)CC1 ZINC000182677071 535844552 /nfs/dbraw/zinc/84/45/52/535844552.db2.gz PNMQJNLTBLFCGB-UHFFFAOYSA-N 0 3 366.805 1.930 20 5 FDBDHN COc1cc(F)c([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000183505722 535993797 /nfs/dbraw/zinc/99/37/97/535993797.db2.gz RXEXWIZKASBUPB-ZYHUDNBSSA-N 0 3 368.365 1.659 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000184558805 536164361 /nfs/dbraw/zinc/16/43/61/536164361.db2.gz BMYHYJAEUUPIHG-AWEZNQCLSA-N 0 3 353.444 1.842 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000184813536 536185077 /nfs/dbraw/zinc/18/50/77/536185077.db2.gz ZLVWHRRVDOWKJR-CMPLNLGQSA-N 0 3 354.794 1.820 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184821548 536185827 /nfs/dbraw/zinc/18/58/27/536185827.db2.gz ICDZOQUKZXHGIO-PWSUYJOCSA-N 0 3 354.794 1.820 20 5 FDBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186299211 536231546 /nfs/dbraw/zinc/23/15/46/536231546.db2.gz IJQCCJYCBHSXNS-INIZCTEOSA-N 0 3 357.414 1.914 20 5 FDBDHN CC(C)N1CCN(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000188187824 536285329 /nfs/dbraw/zinc/28/53/29/536285329.db2.gz PDZMPHLTJRBEQD-UHFFFAOYSA-N 0 3 360.414 1.607 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000246227114 536904457 /nfs/dbraw/zinc/90/44/57/536904457.db2.gz QNYYUJHSBQOKIE-WCQYABFASA-N 0 3 357.432 1.564 20 5 FDBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1n[nH]c2c1CNCC2 ZINC000188874686 536963730 /nfs/dbraw/zinc/96/37/30/536963730.db2.gz CALSKGGYOLMLBZ-UHFFFAOYSA-N 0 3 353.342 1.606 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189412723 537041737 /nfs/dbraw/zinc/04/17/37/537041737.db2.gz IZTNSYDVKPCCHJ-ZDUSSCGKSA-N 0 3 350.419 1.230 20 5 FDBDHN CC(C)OC1CC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000189526461 537060594 /nfs/dbraw/zinc/06/05/94/537060594.db2.gz XGQKXIFNUQKEBQ-UHFFFAOYSA-N 0 3 357.432 1.419 20 5 FDBDHN CCN1CCN(CCC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000263719382 537077813 /nfs/dbraw/zinc/07/78/13/537077813.db2.gz WMDYHZMSDFZVIS-UHFFFAOYSA-N 0 3 350.419 1.247 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247780022 537150019 /nfs/dbraw/zinc/15/00/19/537150019.db2.gz XKUDSVCIOMKIRB-GXTWGEPZSA-N 0 3 371.459 1.954 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000248460227 537185211 /nfs/dbraw/zinc/18/52/11/537185211.db2.gz OGZNWOGRRQMWGW-ZBFHGGJFSA-N 0 3 350.350 1.445 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191268412 537201781 /nfs/dbraw/zinc/20/17/81/537201781.db2.gz OLJBHFHSYTZGAQ-CQSZACIVSA-N 0 3 351.403 1.752 20 5 FDBDHN COc1cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000193432761 537247504 /nfs/dbraw/zinc/24/75/04/537247504.db2.gz QCMFUIFDTDKCSM-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262776046 537254405 /nfs/dbraw/zinc/25/44/05/537254405.db2.gz NINKOZMAEGMRRD-GZMMTYOYSA-N 0 3 367.349 1.890 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1N(C)C ZINC000272360360 537272220 /nfs/dbraw/zinc/27/22/20/537272220.db2.gz SELKZMZSMYQGGN-WCQYABFASA-N 0 3 353.400 1.441 20 5 FDBDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000298929082 537375488 /nfs/dbraw/zinc/37/54/88/537375488.db2.gz LAQKYBACODBASH-UHFFFAOYSA-N 0 3 374.344 1.591 20 5 FDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1[N+](=O)[O-] ZINC000270878901 537389351 /nfs/dbraw/zinc/38/93/51/537389351.db2.gz PCLBGALBFMDTRB-LSDHHAIUSA-N 0 3 373.413 1.239 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1N1CCCC1 ZINC000276295761 537399080 /nfs/dbraw/zinc/39/90/80/537399080.db2.gz WJVSROMVEXOWCW-CABCVRRESA-N 0 3 350.444 1.829 20 5 FDBDHN COCCOC[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273338192 537433126 /nfs/dbraw/zinc/43/31/26/537433126.db2.gz NDQHEYVRBQYZLO-GJZGRUSLSA-N 0 3 354.403 1.319 20 5 FDBDHN COCCOC[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273338196 537433511 /nfs/dbraw/zinc/43/35/11/537433511.db2.gz NDQHEYVRBQYZLO-HUUCEWRRSA-N 0 3 354.403 1.319 20 5 FDBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000275786069 537568981 /nfs/dbraw/zinc/56/89/81/537568981.db2.gz GZXUPROHDSPNSE-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN CN1CCC[C@]2(CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)C1 ZINC000293824686 537600085 /nfs/dbraw/zinc/60/00/85/537600085.db2.gz BLXCCBPXQLCZRJ-SFHVURJKSA-N 0 3 370.413 1.733 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000294056933 537648949 /nfs/dbraw/zinc/64/89/49/537648949.db2.gz LTZBBRVSXWUUCY-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[C@H](F)CN1 ZINC000366577671 537788194 /nfs/dbraw/zinc/78/81/94/537788194.db2.gz YXUQBDFDMYOJMA-UWVGGRQHSA-N 0 3 360.183 1.716 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411598528 537792139 /nfs/dbraw/zinc/79/21/39/537792139.db2.gz AKMHAHREGYIEOA-AWEZNQCLSA-N 0 3 364.446 1.700 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1[N+](=O)[O-] ZINC000366758879 537846753 /nfs/dbraw/zinc/84/67/53/537846753.db2.gz QAYDWLOZRTVKPJ-UHFFFAOYSA-N 0 3 374.401 1.757 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994969 537929415 /nfs/dbraw/zinc/92/94/15/537929415.db2.gz OPBGYMREGZDIHW-WFASDCNBSA-N 0 3 367.402 1.309 20 5 FDBDHN Cc1nc(C)n(C[C@@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367138702 537950899 /nfs/dbraw/zinc/95/08/99/537950899.db2.gz HQIZQWPJGLZEIN-HNNXBMFYSA-N 0 3 360.418 1.520 20 5 FDBDHN Cc1ccc(N2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369783340 538067511 /nfs/dbraw/zinc/06/75/11/538067511.db2.gz SUAHXARAUWWDES-SFHVURJKSA-N 0 3 359.430 1.673 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000419998320 538182207 /nfs/dbraw/zinc/18/22/07/538182207.db2.gz MTSYYAJAAIAZJZ-KRWDZBQOSA-N 0 3 351.403 1.377 20 5 FDBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420445181 538295206 /nfs/dbraw/zinc/29/52/06/538295206.db2.gz SCATXDCNEOIYEU-RQJHMYQMSA-N 0 3 352.210 1.371 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000441049224 538302611 /nfs/dbraw/zinc/30/26/11/538302611.db2.gz LIDXAWJWWVCGOK-FZMZJTMJSA-N 0 3 364.402 1.341 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000451927284 538337471 /nfs/dbraw/zinc/33/74/71/538337471.db2.gz KBZBYQVMRAXZFD-YOGCLGLASA-N 0 3 355.416 1.507 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CNCCC1(F)F ZINC000449668314 538426396 /nfs/dbraw/zinc/42/63/96/538426396.db2.gz SOGMGZJGQUCLBT-ZDUSSCGKSA-N 0 3 357.313 1.022 20 5 FDBDHN CNC(=O)N[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000466924025 538575810 /nfs/dbraw/zinc/57/58/10/538575810.db2.gz GXXMAWWEOBHCSF-ZDUSSCGKSA-N 0 3 359.386 1.796 20 5 FDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN2CCN1CCC2 ZINC000482937106 538658008 /nfs/dbraw/zinc/65/80/08/538658008.db2.gz VDZOSHKLNSEPQA-HNNXBMFYSA-N 0 3 352.822 1.297 20 5 FDBDHN NC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000479188004 538791187 /nfs/dbraw/zinc/79/11/87/538791187.db2.gz CIHLJYLGIGMVRJ-ZBFHGGJFSA-N 0 3 373.388 1.884 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000474343234 538834483 /nfs/dbraw/zinc/83/44/83/538834483.db2.gz BRMPYZOGWBTLIM-GXTWGEPZSA-N 0 3 363.414 1.861 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000561520294 545881890 /nfs/dbraw/zinc/88/18/90/545881890.db2.gz CWJHNZYLJSDXCL-UHFFFAOYSA-N 0 3 355.460 1.789 20 5 FDBDHN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000562182597 546048969 /nfs/dbraw/zinc/04/89/69/546048969.db2.gz 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Cc1nn(C)c(C)c1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570754845 549398909 /nfs/dbraw/zinc/39/89/09/549398909.db2.gz VONBFQJTNKEQAR-UHFFFAOYSA-N 0 3 366.443 1.551 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000571846185 549779187 /nfs/dbraw/zinc/77/91/87/549779187.db2.gz PJIMFRIFNRPUKA-WBMJQRKESA-N 0 3 362.430 1.894 20 5 FDBDHN CC(=O)Nc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000572595502 549950505 /nfs/dbraw/zinc/95/05/05/549950505.db2.gz JXCTVBWGLRQCQX-CQSZACIVSA-N 0 3 360.370 1.478 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000572670402 549968890 /nfs/dbraw/zinc/96/88/90/549968890.db2.gz KEQCBXSGRLKFDO-HNNXBMFYSA-N 0 3 362.430 1.510 20 5 FDBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000573249190 550096768 /nfs/dbraw/zinc/09/67/68/550096768.db2.gz YLYAXCDRJFMFDV-NRUUGDAUSA-N 0 3 352.309 1.626 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000574926899 550394728 /nfs/dbraw/zinc/39/47/28/550394728.db2.gz QMUVCZXFAXFCCV-ZFWWWQNUSA-N 0 3 364.446 1.346 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000575311122 550451525 /nfs/dbraw/zinc/45/15/25/550451525.db2.gz YLISVHLDGBUVFN-GFCCVEGCSA-N 0 3 360.374 1.131 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000575915045 550490301 /nfs/dbraw/zinc/49/03/01/550490301.db2.gz FDAUQMXWMNSISI-UHFFFAOYSA-N 0 3 361.377 1.796 20 5 FDBDHN O=C(CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000577841426 550700420 /nfs/dbraw/zinc/70/04/20/550700420.db2.gz NEKRLGOHWZFMKE-UHFFFAOYSA-N 0 3 355.416 1.017 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000578745573 550796859 /nfs/dbraw/zinc/79/68/59/550796859.db2.gz JMQIVDPCXQTEPM-MRXNPFEDSA-N 0 3 374.441 1.503 20 5 FDBDHN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000579001256 550824903 /nfs/dbraw/zinc/82/49/03/550824903.db2.gz HDQNJAXMSMIOBI-WDEREUQCSA-N 0 3 354.382 1.020 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000581396691 551084378 /nfs/dbraw/zinc/08/43/78/551084378.db2.gz PRFJOGXNXQZEEO-HNNXBMFYSA-N 0 3 365.430 1.635 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)C2CCCCC2)cc1 ZINC000582781770 551266546 /nfs/dbraw/zinc/26/65/46/551266546.db2.gz VYSUATLRRFQDDU-INIZCTEOSA-N 0 3 356.444 1.899 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@H]1C(F)F ZINC000584173212 551458887 /nfs/dbraw/zinc/45/88/87/551458887.db2.gz ZBXHHUFXENKFFE-LBPRGKRZSA-N 0 3 358.345 1.471 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586768015 551616751 /nfs/dbraw/zinc/61/67/51/551616751.db2.gz XUOHPONIVUQXPG-MRXNPFEDSA-N 0 3 368.384 1.787 20 5 FDBDHN Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000589689960 551742370 /nfs/dbraw/zinc/74/23/70/551742370.db2.gz KVZDXFXQJPLLKV-AWEZNQCLSA-N 0 3 350.394 1.961 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210284 551764819 /nfs/dbraw/zinc/76/48/19/551764819.db2.gz MYQHDXYSSOXGCV-MSOLQXFVSA-N 0 3 363.414 1.751 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590399647 551780587 /nfs/dbraw/zinc/78/05/87/551780587.db2.gz CWJCQOVJNWIFML-NEPJUHHUSA-N 0 3 351.407 1.377 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)[C@@H]2C1 ZINC000590445808 551785357 /nfs/dbraw/zinc/78/53/57/551785357.db2.gz SUBOATBXHWTXQL-CZUORRHYSA-N 0 3 360.414 1.208 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592103447 551942350 /nfs/dbraw/zinc/94/23/50/551942350.db2.gz IZQJPUCATVWAGM-UHFFFAOYSA-N 0 3 369.443 1.221 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592103354 551942404 /nfs/dbraw/zinc/94/24/04/551942404.db2.gz IAKRKHJCMYFDKB-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN CC(C)(C)OC(=O)C1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592157248 551951753 /nfs/dbraw/zinc/95/17/53/551951753.db2.gz QCCUMDDJDAFOFY-CQSZACIVSA-N 0 3 368.434 1.596 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000592243048 551966164 /nfs/dbraw/zinc/96/61/64/551966164.db2.gz ZCSIHLSRFIUKEJ-GFCCVEGCSA-N 0 3 368.821 1.434 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592251039 551967628 /nfs/dbraw/zinc/96/76/28/551967628.db2.gz BTLIVTUWXPSXIY-ZDUSSCGKSA-N 0 3 363.418 1.795 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000592488067 552000584 /nfs/dbraw/zinc/00/05/84/552000584.db2.gz HQJCUOFODPJZGC-HNNXBMFYSA-N 0 3 351.403 1.719 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592870811 552037210 /nfs/dbraw/zinc/03/72/10/552037210.db2.gz FZEDZFRYPSVWEU-GFCCVEGCSA-N 0 3 371.397 1.335 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593188769 552071228 /nfs/dbraw/zinc/07/12/28/552071228.db2.gz BYHDFQBYRNPTFX-UHFFFAOYSA-N 0 3 363.418 1.449 20 5 FDBDHN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594202847 552264257 /nfs/dbraw/zinc/26/42/57/552264257.db2.gz SUDHQCVPAKIUOX-ZIAGYGMSSA-N 0 3 374.397 1.636 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594302404 552282880 /nfs/dbraw/zinc/28/28/80/552282880.db2.gz IGVDIRKKUXOPTG-CQSZACIVSA-N 0 3 355.398 1.919 20 5 FDBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000594359125 552295062 /nfs/dbraw/zinc/29/50/62/552295062.db2.gz OGMCVHHLVDDYRA-KBPBESRZSA-N 0 3 369.443 1.080 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000594494391 552326213 /nfs/dbraw/zinc/32/62/13/552326213.db2.gz AGFIVUUDBCBEPR-CRAIPNDOSA-N 0 3 360.458 1.578 20 5 FDBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594783032 552382837 /nfs/dbraw/zinc/38/28/37/552382837.db2.gz ZUNNLTSNKQEBNL-NSHDSACASA-N 0 3 350.400 1.373 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594986872 552432816 /nfs/dbraw/zinc/43/28/16/552432816.db2.gz IQEXAUQIHZUGEM-CABCVRRESA-N 0 3 350.371 1.540 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595108015 552453055 /nfs/dbraw/zinc/45/30/55/552453055.db2.gz YSNRHJOSUVJPHL-GFCCVEGCSA-N 0 3 369.443 1.869 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595344443 552531293 /nfs/dbraw/zinc/53/12/93/552531293.db2.gz FIUFKLSAYWYARO-HNNXBMFYSA-N 0 3 350.394 1.472 20 5 FDBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000595554996 552583992 /nfs/dbraw/zinc/58/39/92/552583992.db2.gz VWEFUZRYAWDQMD-MYZSUADSSA-N 0 3 354.407 1.204 20 5 FDBDHN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000595617881 552593595 /nfs/dbraw/zinc/59/35/95/552593595.db2.gz XZTOPURSJNBJCK-MRXNPFEDSA-N 0 3 351.403 1.589 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595631306 552595467 /nfs/dbraw/zinc/59/54/67/552595467.db2.gz GWXBBAJAELTYOU-NFAWXSAZSA-N 0 3 351.403 1.689 20 5 FDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595828035 552620661 /nfs/dbraw/zinc/62/06/61/552620661.db2.gz HLBZYGNWBPCJMO-CABCVRRESA-N 0 3 363.414 1.279 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595987011 552641398 /nfs/dbraw/zinc/64/13/98/552641398.db2.gz SNPWXVWGAALSTE-GFCCVEGCSA-N 0 3 374.401 1.340 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595987015 552641584 /nfs/dbraw/zinc/64/15/84/552641584.db2.gz SNPWXVWGAALSTE-LBPRGKRZSA-N 0 3 374.401 1.340 20 5 FDBDHN C[C@@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000596047733 552649614 /nfs/dbraw/zinc/64/96/14/552649614.db2.gz ABPPDWOOZPMZEU-LLVKDONJSA-N 0 3 364.221 1.388 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596049700 552649757 /nfs/dbraw/zinc/64/97/57/552649757.db2.gz GLMCFQLYCTYISU-JTQLQIEISA-N 0 3 357.310 1.114 20 5 FDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCN1CCC(O)CC1 ZINC000596085085 552653774 /nfs/dbraw/zinc/65/37/74/552653774.db2.gz IFWFPBBFZIOYMP-UHFFFAOYSA-N 0 3 360.414 1.832 20 5 FDBDHN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596209765 552664806 /nfs/dbraw/zinc/66/48/06/552664806.db2.gz QGBKHOOKHBFOHL-GOSISDBHSA-N 0 3 358.398 1.769 20 5 FDBDHN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596209765 552664807 /nfs/dbraw/zinc/66/48/07/552664807.db2.gz QGBKHOOKHBFOHL-GOSISDBHSA-N 0 3 358.398 1.769 20 5 FDBDHN CN1CCC[C@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596243566 552667674 /nfs/dbraw/zinc/66/76/74/552667674.db2.gz JBQOKXZOQMQYSC-HNNXBMFYSA-N 0 3 354.432 1.164 20 5 FDBDHN CCN1CCC[C@@H](CN(C)c2c([N+](=O)[O-])ncn2C)[C@@H]1c1cnn(C)c1 ZINC000596446640 552680033 /nfs/dbraw/zinc/68/00/33/552680033.db2.gz DEXVLHOAIJZHSJ-DZGCQCFKSA-N 0 3 361.450 1.971 20 5 FDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000597193192 552759342 /nfs/dbraw/zinc/75/93/42/552759342.db2.gz VORYULCVIHHMPN-JJAZEVLHSA-N 0 3 368.455 1.708 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597574581 552806943 /nfs/dbraw/zinc/80/69/43/552806943.db2.gz QNERPNYSPWMPEE-MRXNPFEDSA-N 0 3 357.357 1.331 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000597582351 552808552 /nfs/dbraw/zinc/80/85/52/552808552.db2.gz AKGRVPOYBUTHOQ-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN Cc1cc(OCC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693460 552822679 /nfs/dbraw/zinc/82/26/79/552822679.db2.gz DJIWDKHDXPOONJ-SJORKVTESA-N 0 3 363.414 1.604 20 5 FDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000597717045 552825790 /nfs/dbraw/zinc/82/57/90/552825790.db2.gz XBQAUAUQMBMWRL-GOSISDBHSA-N 0 3 361.398 1.924 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000598195116 552875154 /nfs/dbraw/zinc/87/51/54/552875154.db2.gz 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CN1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)[C@H]2C1 ZINC000599967502 553188626 /nfs/dbraw/zinc/18/86/26/553188626.db2.gz ZAMMZBYXBUXICP-BZNIZROVSA-N 0 3 359.361 1.696 20 5 FDBDHN CN(C)CCn1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000601414293 553399146 /nfs/dbraw/zinc/39/91/46/553399146.db2.gz VJWFOPGVESLUJW-UHFFFAOYSA-N 0 3 365.821 1.979 20 5 FDBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602623187 553613285 /nfs/dbraw/zinc/61/32/85/553613285.db2.gz FYDWRKQMZBXZHR-SFHVURJKSA-N 0 3 359.430 1.397 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000602909103 553666601 /nfs/dbraw/zinc/66/66/01/553666601.db2.gz ZIYQHZWVZJPBCT-MRXNPFEDSA-N 0 3 364.446 1.332 20 5 FDBDHN CC(C)(C(=O)N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603053886 553702494 /nfs/dbraw/zinc/70/24/94/553702494.db2.gz UGNSUNWLDRQORU-GFCCVEGCSA-N 0 3 353.394 1.584 20 5 FDBDHN C[C@@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603446020 553789822 /nfs/dbraw/zinc/78/98/22/553789822.db2.gz TWCFITDQDCGZOW-GFCCVEGCSA-N 0 3 360.414 1.912 20 5 FDBDHN C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C1CC1 ZINC000609213181 554350424 /nfs/dbraw/zinc/35/04/24/554350424.db2.gz JDJCRSCHLDDFFY-ZDUSSCGKSA-N 0 3 362.434 1.304 20 5 FDBDHN CCCN(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609316513 554363789 /nfs/dbraw/zinc/36/37/89/554363789.db2.gz NXNWJAWDSBGDBP-UHFFFAOYSA-N 0 3 354.432 1.283 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609354990 554371899 /nfs/dbraw/zinc/37/18/99/554371899.db2.gz WIQVLCPGOODIJI-OKILXGFUSA-N 0 3 362.430 1.704 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609443313 554377425 /nfs/dbraw/zinc/37/74/25/554377425.db2.gz SATPOBSNOQOTKD-HNNXBMFYSA-N 0 3 364.377 1.288 20 5 FDBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](N2CCCC2)C1 ZINC000609560466 554393618 /nfs/dbraw/zinc/39/36/18/554393618.db2.gz CJFRELPQKMQWEO-LBPRGKRZSA-N 0 3 354.432 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554669566 /nfs/dbraw/zinc/66/95/66/554669566.db2.gz HDYFNJKXHXEJTQ-UHFFFAOYSA-N 0 3 370.413 1.282 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619473979 555783313 /nfs/dbraw/zinc/78/33/13/555783313.db2.gz KUJSZRHYNAPKJP-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000619490104 555786876 /nfs/dbraw/zinc/78/68/76/555786876.db2.gz VTFDTWODLAXIQN-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1C ZINC000291632889 568232741 /nfs/dbraw/zinc/23/27/41/568232741.db2.gz DMKNYLJVNFXQEF-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN CCN1CCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272323082 674432263 /nfs/dbraw/zinc/43/22/63/674432263.db2.gz KBUVZUTWKPHRRV-UHFFFAOYSA-N 0 3 356.373 1.440 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272934279 674489989 /nfs/dbraw/zinc/48/99/89/674489989.db2.gz HNKGKLPHKRUBEV-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN C[NH+](C)CCN(Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821587408 607114695 /nfs/dbraw/zinc/11/46/95/607114695.db2.gz WDTXMOASCWUXHZ-UHFFFAOYSA-N 0 3 357.374 1.936 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)c1ccccc1 ZINC000040504129 670886651 /nfs/dbraw/zinc/88/66/51/670886651.db2.gz DQWSIPAZOQUOFL-HNNXBMFYSA-N 0 3 365.411 1.196 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278725323 675186117 /nfs/dbraw/zinc/18/61/17/675186117.db2.gz MIVHRIAZSADSAS-CJNGLKHVSA-N 0 3 353.444 1.986 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171685011 672057462 /nfs/dbraw/zinc/05/74/62/672057462.db2.gz LTINIJOOCWCZSD-UHFFFAOYSA-N 0 3 352.410 1.720 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176751612 672116827 /nfs/dbraw/zinc/11/68/27/672116827.db2.gz ACQSJZYMCXUIOX-UHFFFAOYSA-N 0 3 352.410 1.800 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000289713419 676170163 /nfs/dbraw/zinc/17/01/63/676170163.db2.gz WUFMMCVFMSMEBO-SNVBAGLBSA-N 0 3 363.411 1.750 20 5 FDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292763133 676311424 /nfs/dbraw/zinc/31/14/24/676311424.db2.gz JAFOIUDGLXFRKU-MRXNPFEDSA-N 0 3 353.444 1.842 20 5 FDBDHN CCOC(=O)C(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc(C)cs1 ZINC000298291869 676448910 /nfs/dbraw/zinc/44/89/10/676448910.db2.gz FRIYQQCTGAOGEM-ZDUSSCGKSA-N 0 3 365.367 1.437 20 5 FDBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000298528318 676472399 /nfs/dbraw/zinc/47/23/99/676472399.db2.gz LZDDRKOYQBKXLV-CYBMUJFWSA-N 0 3 350.375 1.142 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362020212 676906178 /nfs/dbraw/zinc/90/61/78/676906178.db2.gz GUUWDNWONKIYFF-IINYFYTJSA-N 0 3 366.805 1.739 20 5 FDBDHN CCOC(=O)c1cc(N2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364269071 677003775 /nfs/dbraw/zinc/00/37/75/677003775.db2.gz LCCIOCWHQNDKKH-CYBMUJFWSA-N 0 3 351.403 1.664 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)NC ZINC000411186801 678993584 /nfs/dbraw/zinc/99/35/84/678993584.db2.gz PAMDGDUTTFITGH-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1F ZINC000412184558 679163145 /nfs/dbraw/zinc/16/31/45/679163145.db2.gz OGMSFGIMKKYISZ-GWCFXTLKSA-N 0 3 351.378 1.884 20 5 FDBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000416492526 679638776 /nfs/dbraw/zinc/63/87/76/679638776.db2.gz AOHUWZAJPLWXOW-VIFPVBQESA-N 0 3 367.349 1.844 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](C)N(CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419336687 680238311 /nfs/dbraw/zinc/23/83/11/680238311.db2.gz XQMRORADUYGQPH-KGLIPLIRSA-N 0 3 353.419 1.369 20 5 FDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420435490 680449403 /nfs/dbraw/zinc/44/94/03/680449403.db2.gz HAJCXUPZNHUKKK-RNFRBKRXSA-N 0 3 352.210 1.371 20 5 FDBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)CO ZINC000450732680 682776984 /nfs/dbraw/zinc/77/69/84/682776984.db2.gz JMCPDTNYRMBPCZ-RKDXNWHRSA-N 0 3 360.208 1.902 20 5 FDBDHN CO[C@H]1C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451484471 682887402 /nfs/dbraw/zinc/88/74/02/682887402.db2.gz BSZXOTVSGCDGQU-KBPBESRZSA-N 0 3 351.359 1.665 20 5 FDBDHN COc1ccc(CSCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000456177814 683581089 /nfs/dbraw/zinc/58/10/89/683581089.db2.gz ZRWRPVZVXTXKNC-DZGCQCFKSA-N 0 3 365.455 1.999 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000478648467 685915020 /nfs/dbraw/zinc/91/50/20/685915020.db2.gz HKVRNDUJPIHQMA-OAHLLOKOSA-N 0 3 350.419 1.813 20 5 FDBDHN CCN(CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000516171379 689924302 /nfs/dbraw/zinc/92/43/02/689924302.db2.gz NBLMMQFUBRLDIW-LBPRGKRZSA-N 0 3 359.448 1.503 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000516774218 689989097 /nfs/dbraw/zinc/98/90/97/689989097.db2.gz IXUJNXSGDYGLNO-CJNGLKHVSA-N 0 3 371.459 1.356 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2 ZINC001164681739 719705724 /nfs/dbraw/zinc/70/57/24/719705724.db2.gz AEPBOXSDFLOOHO-UHFFFAOYSA-N 0 3 363.418 1.179 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2 ZINC001164683520 719722410 /nfs/dbraw/zinc/72/24/10/719722410.db2.gz AGGXMTJLLNHPPA-UHFFFAOYSA-N 0 3 361.446 1.787 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261663288 774324475 /nfs/dbraw/zinc/32/44/75/774324475.db2.gz BEWLEYGSXYWVTC-OAHLLOKOSA-N 0 3 358.402 1.222 20 5 FDBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000933244438 776324823 /nfs/dbraw/zinc/32/48/23/776324823.db2.gz RMQMSINJOFWHHS-IAGOWNOFSA-N 0 3 351.447 1.997 20 5 FDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1[N+](=O)[O-] ZINC000892486858 785190083 /nfs/dbraw/zinc/19/00/83/785190083.db2.gz AMBLWSDXNGUJJN-AWEZNQCLSA-N 0 3 353.419 1.755 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000472561916 787365208 /nfs/dbraw/zinc/36/52/08/787365208.db2.gz LHEGLVJNIRQPDZ-VXGBXAGGSA-N 0 3 366.393 1.909 20 5 FDBDHN CC(=O)N[C@@H](C)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000481152136 794132956 /nfs/dbraw/zinc/13/29/56/794132956.db2.gz GVAHFTVIDFMBOH-SUMWQHHRSA-N 0 3 365.430 1.571 20 5 FDBDHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979755958 806443815 /nfs/dbraw/zinc/44/38/15/806443815.db2.gz KSFLPVLBIDMWAU-FDYHWXHSSA-N 0 3 363.418 1.131 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979755958 806443820 /nfs/dbraw/zinc/44/38/20/806443820.db2.gz KSFLPVLBIDMWAU-FDYHWXHSSA-N 0 3 363.418 1.131 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000981136888 807576465 /nfs/dbraw/zinc/57/64/65/807576465.db2.gz KKSBFOHZPYIYTJ-HUUCEWRRSA-N 0 3 361.398 1.157 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCOc2ccc(F)cc2)CC1 ZINC000981137971 807578190 /nfs/dbraw/zinc/57/81/90/807578190.db2.gz ITJIACWDTDVVTJ-HZPDHXFCSA-N 0 3 351.378 1.404 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512142162 808455575 /nfs/dbraw/zinc/45/55/75/808455575.db2.gz HOFNVZWMXDYXRZ-BXUZGUMPSA-N 0 3 364.450 1.594 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279569404 809047208 /nfs/dbraw/zinc/04/72/08/809047208.db2.gz ZGOFIXPLWOGSTI-LBPRGKRZSA-N 0 3 367.425 1.320 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516625025 816925835 /nfs/dbraw/zinc/92/58/35/816925835.db2.gz NWMQSWQCPDHZJW-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000521267057 821183816 /nfs/dbraw/zinc/18/38/16/821183816.db2.gz LBGYJYUFYAKKBF-HZPDHXFCSA-N 0 3 365.430 1.131 20 5 FDBDHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C2CC2)C1 ZINC000521362282 821230639 /nfs/dbraw/zinc/23/06/39/821230639.db2.gz DFNFCYNMSUTBHD-AWEZNQCLSA-N 0 3 374.397 1.015 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000521704488 821337750 /nfs/dbraw/zinc/33/77/50/821337750.db2.gz IYWYYECXRRQCKI-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN COC(=O)Cc1ccc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896521812 824477306 /nfs/dbraw/zinc/47/73/06/824477306.db2.gz FVDXRXRBROTHAW-HNNXBMFYSA-N 0 3 363.414 1.976 20 5 FDBDHN CC(C)NS(=O)(=O)NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447601879 828801359 /nfs/dbraw/zinc/80/13/59/828801359.db2.gz RPEJHQKCILTCGR-OAHLLOKOSA-N 0 3 356.448 1.394 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448594757 829186674 /nfs/dbraw/zinc/18/66/74/829186674.db2.gz CHXUFQRDVGQMQA-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CCN1 ZINC000450893895 830170419 /nfs/dbraw/zinc/17/04/19/830170419.db2.gz SOFRCAVNNFJOSA-ZDUSSCGKSA-N 0 3 359.430 1.354 20 5 FDBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451503330 830376201 /nfs/dbraw/zinc/37/62/01/830376201.db2.gz ILIFOIGVRAZPGI-OZUAJXCXSA-N 0 3 365.386 1.911 20 5 FDBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1c1ccccc1 ZINC000452004675 830501658 /nfs/dbraw/zinc/50/16/58/830501658.db2.gz KRSXJJOCMCBFMI-IAGOWNOFSA-N 0 3 371.393 1.645 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCCN1CCO ZINC000452382068 830628943 /nfs/dbraw/zinc/62/89/43/830628943.db2.gz XCVICOBGGPOWMK-HNNXBMFYSA-N 0 3 360.414 1.582 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000475717470 831903854 /nfs/dbraw/zinc/90/38/54/831903854.db2.gz VFNNGMKVZZWEMN-UHFFFAOYSA-N 0 3 363.414 1.817 20 5 FDBDHN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000898289298 840938676 /nfs/dbraw/zinc/93/86/76/840938676.db2.gz AHJQOYFBWVLYQM-LTCOOKNTSA-N 0 3 361.442 1.919 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000478480753 843775696 /nfs/dbraw/zinc/77/56/96/843775696.db2.gz NPBODTXAEDIZAM-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478469150 843780426 /nfs/dbraw/zinc/78/04/26/843780426.db2.gz QQOKAUQIYBWVOZ-UHFFFAOYSA-N 0 3 356.382 1.890 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478487692 843790363 /nfs/dbraw/zinc/79/03/63/843790363.db2.gz IIIJIOKHLHIUAW-UHFFFAOYSA-N 0 3 372.381 1.726 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000899991263 846993171 /nfs/dbraw/zinc/99/31/71/846993171.db2.gz GFZCPHKMIVLCJS-UHFFFAOYSA-N 0 3 358.801 1.755 20 5 FDBDHN O=C(NCCNCc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936285 848589222 /nfs/dbraw/zinc/58/92/22/848589222.db2.gz FBOOYIZLOKXXJN-HUUCEWRRSA-N 0 3 363.805 1.397 20 5 FDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c(C)cc1[N+](=O)[O-] ZINC000907563232 854367017 /nfs/dbraw/zinc/36/70/17/854367017.db2.gz CDVLMQIKFLWXQJ-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908527040 855524699 /nfs/dbraw/zinc/52/46/99/855524699.db2.gz PGLRPZJZIJGLNW-NSHDSACASA-N 0 3 359.785 1.964 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000487591907 856501890 /nfs/dbraw/zinc/50/18/90/856501890.db2.gz PRRAKZWCJHWRQQ-UHFFFAOYSA-N 0 3 367.377 1.739 20 5 FDBDHN COC(=O)CCN(Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000173534028 865979031 /nfs/dbraw/zinc/97/90/31/865979031.db2.gz IJAOYVHNEPQSJO-UHFFFAOYSA-N 0 3 362.386 1.946 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000456335184 866857257 /nfs/dbraw/zinc/85/72/57/866857257.db2.gz MQKJZXHSMZZEAZ-CQSZACIVSA-N 0 3 358.402 1.167 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282102378 870940134 /nfs/dbraw/zinc/94/01/34/870940134.db2.gz PJXRBSYBEDREGP-YOEHRIQHSA-N 0 3 374.445 1.565 20 5 FDBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cc2)CC1 ZINC000914863408 874880554 /nfs/dbraw/zinc/88/05/54/874880554.db2.gz SHGDOPQNUIKPOC-UHFFFAOYSA-N 0 3 370.413 1.974 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000920599584 887072209 /nfs/dbraw/zinc/07/22/09/887072209.db2.gz XFYUEISOQKCBMH-INIZCTEOSA-N 0 3 362.430 1.690 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000443447399 888542899 /nfs/dbraw/zinc/54/28/99/888542899.db2.gz WICDAPZQLAXFHN-AWEZNQCLSA-N 0 3 374.445 2.330 20 5 FDBDHN C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000764188349 903959348 /nfs/dbraw/zinc/95/93/48/903959348.db2.gz PDLNGNQLGFXENS-LSDHHAIUSA-N 0 3 358.446 1.705 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNCCC1(F)F ZINC000842893134 907398168 /nfs/dbraw/zinc/39/81/68/907398168.db2.gz IFFNIRNSJZPRMN-LLVKDONJSA-N 0 3 369.777 1.832 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272963630 910253666 /nfs/dbraw/zinc/25/36/66/910253666.db2.gz RYJCNSZHALBSKL-CZUORRHYSA-N 0 3 360.414 1.186 20 5 FDBDHN CC(C)c1nsc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086084604 925920735 /nfs/dbraw/zinc/92/07/35/925920735.db2.gz XMYONQOFJFBORK-WRWGMCAJSA-N 0 3 353.448 1.311 20 5 FDBDHN NC(=O)COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000744407741 926666330 /nfs/dbraw/zinc/66/63/30/926666330.db2.gz QNKDAGRQDFPPAI-CQSZACIVSA-N 0 3 371.397 1.540 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(N3CCOCC3)nn1)CNC2 ZINC001169739393 928896367 /nfs/dbraw/zinc/89/63/67/928896367.db2.gz CAAUGZOAVAJWPA-UHFFFAOYSA-N 0 3 356.386 1.437 20 5 FDBDHN COc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(N)=O ZINC000788644194 932754346 /nfs/dbraw/zinc/75/43/46/932754346.db2.gz RIWCFGSRBBTECR-NSHDSACASA-N 0 3 374.397 1.901 20 5 FDBDHN CCC/C=C\CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131354277 940556251 /nfs/dbraw/zinc/55/62/51/940556251.db2.gz XLEXNGCNNVRQPQ-KSLSASGISA-N 0 3 366.462 1.049 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[N+](=O)[O-] ZINC000813101738 941325447 /nfs/dbraw/zinc/32/54/47/941325447.db2.gz IDLJTGKYRBYLSS-CABCVRRESA-N 0 3 364.398 1.903 20 5 FDBDHN CC(COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813105598 941329220 /nfs/dbraw/zinc/32/92/20/941329220.db2.gz PYBJVILMLIJUKP-QMMMGPOBSA-N 0 3 350.780 1.412 20 5 FDBDHN COc1cc(OC)cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108161 941334300 /nfs/dbraw/zinc/33/43/00/941334300.db2.gz BLTVSVICQJSITR-GHMZBOCLSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)CS(=O)(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813109568 941334391 /nfs/dbraw/zinc/33/43/91/941334391.db2.gz MJYDEAADUALLDW-MRVPVSSYSA-N 0 3 366.189 1.431 20 5 FDBDHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111078 941334699 /nfs/dbraw/zinc/33/46/99/941334699.db2.gz CALDSYMRBHURRN-VXNVDRBHSA-N 0 3 354.388 1.270 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110784 941334707 /nfs/dbraw/zinc/33/47/07/941334707.db2.gz JHKYEWRCRXBWDV-LLVKDONJSA-N 0 3 358.416 1.894 20 5 FDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c2nonc21 ZINC000814931765 941740980 /nfs/dbraw/zinc/74/09/80/941740980.db2.gz FAHUPQHOTHFOLU-CQSZACIVSA-N 0 3 369.381 1.962 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000815704136 941944941 /nfs/dbraw/zinc/94/49/41/941944941.db2.gz XQLQGFHSOSYKQB-ZANVPECISA-N 0 3 352.778 1.349 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000819152790 943442785 /nfs/dbraw/zinc/44/27/85/943442785.db2.gz ZRIDCGFMRZWKPJ-INIZCTEOSA-N 0 3 362.407 1.748 20 5 FDBDHN Cc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1S(N)(=O)=O ZINC000819268207 943519695 /nfs/dbraw/zinc/51/96/95/943519695.db2.gz PQFINJCGMJXSHX-OAHLLOKOSA-N 0 3 365.411 1.374 20 5 FDBDHN CC([C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872724 950042346 /nfs/dbraw/zinc/04/23/46/950042346.db2.gz MVZMXALGXMQPPD-GYSYKLTISA-N 0 3 353.350 1.866 20 5 FDBDHN CC([C@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872730 950042510 /nfs/dbraw/zinc/04/25/10/950042510.db2.gz MWIUSIAEWZBTRL-QFYYESIMSA-N 0 3 352.318 1.614 20 5 FDBDHN CC([C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876063 950047370 /nfs/dbraw/zinc/04/73/70/950047370.db2.gz PJONSNCPPPOJJI-LKFCYVNXSA-N 0 3 352.278 1.880 20 5 FDBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845882235 950059962 /nfs/dbraw/zinc/05/99/62/950059962.db2.gz RUMZANAKNLSBDU-IINYFYTJSA-N 0 3 352.322 1.627 20 5 FDBDHN C[C@@]1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001146874004 952253559 /nfs/dbraw/zinc/25/35/59/952253559.db2.gz OSWKJCSQACIPBA-QGZVFWFLSA-N 0 3 361.402 1.317 20 5 FDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000774536196 962427174 /nfs/dbraw/zinc/42/71/74/962427174.db2.gz KAZSTXUOXWNJIH-STQMWFEESA-N 0 3 370.431 1.786 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178710284 964390733 /nfs/dbraw/zinc/39/07/33/964390733.db2.gz 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ZINC000928433776 1001520086 /nfs/dbraw/zinc/52/00/86/1001520086.db2.gz UVMVSOCXITUHPG-CZUORRHYSA-N 0 3 357.414 1.970 20 5 FDBDHN CCN1CCN(CCCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930218666 1002939207 /nfs/dbraw/zinc/93/92/07/1002939207.db2.gz RCTGGDBBMOHWLM-UHFFFAOYSA-N 0 3 366.437 1.810 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC000949365867 1003262758 /nfs/dbraw/zinc/26/27/58/1003262758.db2.gz JXIQPIFYTLHVHS-IAGOWNOFSA-N 0 3 359.426 1.545 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932202112 1004825942 /nfs/dbraw/zinc/82/59/42/1004825942.db2.gz UOUOWOUPYSSWAN-TZMCWYRMSA-N 0 3 351.432 1.563 20 5 FDBDHN CCN1CCN(CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000932700504 1005107932 /nfs/dbraw/zinc/10/79/32/1005107932.db2.gz FVCRKFOPDLQDDI-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN O=C(CN1CCC[C@H]1CCO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778271048 1005805469 /nfs/dbraw/zinc/80/54/69/1005805469.db2.gz UQZXTKOUTAEKSZ-HNNXBMFYSA-N 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O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000517008749 539338520 /nfs/dbraw/zinc/33/85/20/539338520.db2.gz QAFQZUTWNUPENA-FZMZJTMJSA-N 0 3 352.778 1.919 20 5 FDBDHN CN(C(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000521995320 539526436 /nfs/dbraw/zinc/52/64/36/539526436.db2.gz KRQWCDCVDRPMED-INIZCTEOSA-N 0 3 365.430 1.715 20 5 FDBDHN CN(C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000264078613 179024767 /nfs/dbraw/zinc/02/47/67/179024767.db2.gz HKRULEIFCWYTSA-UHFFFAOYSA-N 0 3 373.413 1.684 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264759295 179190406 /nfs/dbraw/zinc/19/04/06/179190406.db2.gz NDKFTKDZNOTJMA-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN Cc1cccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000264916988 179239469 /nfs/dbraw/zinc/23/94/69/179239469.db2.gz OSMZOMOOVOATDN-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN COCCN1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264967406 179254619 /nfs/dbraw/zinc/25/46/19/179254619.db2.gz XQOZGJBXYNJUPF-NSHDSACASA-N 0 3 360.370 1.299 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265391503 179363336 /nfs/dbraw/zinc/36/33/36/179363336.db2.gz MFKLNUCOSKHJOS-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269209565 180243882 /nfs/dbraw/zinc/24/38/82/180243882.db2.gz VOBQBXRVNFPDFX-ZDUSSCGKSA-N 0 3 350.419 1.304 20 5 FDBDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274463664 181100057 /nfs/dbraw/zinc/10/00/57/181100057.db2.gz KIQBVGRZIXERRX-HIFRSBDPSA-N 0 3 362.430 1.702 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N1CCCC1 ZINC000275101708 181238782 /nfs/dbraw/zinc/23/87/82/181238782.db2.gz KAFKACHNCSFLLK-NWDGAFQWSA-N 0 3 353.448 1.289 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000534916408 540426404 /nfs/dbraw/zinc/42/64/04/540426404.db2.gz ACPKETVXYFAEOE-DOTOQJQBSA-N 0 3 370.409 1.603 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000275408595 181310505 /nfs/dbraw/zinc/31/05/05/181310505.db2.gz ARYUBHLKMVKCOR-UHFFFAOYSA-N 0 3 371.415 1.129 20 5 FDBDHN COc1ccc(CCNCc2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000538611226 540873124 /nfs/dbraw/zinc/87/31/24/540873124.db2.gz HPDRHPFXRDBJPW-UHFFFAOYSA-N 0 3 365.411 1.583 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541908352 541295966 /nfs/dbraw/zinc/29/59/66/541295966.db2.gz IUGHEASDNIWURB-UHFFFAOYSA-N 0 3 351.407 1.423 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000542506453 541417826 /nfs/dbraw/zinc/41/78/26/541417826.db2.gz QKAGPOWBABVOBZ-OAHLLOKOSA-N 0 3 372.429 1.893 20 5 FDBDHN CN(C)CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542718065 541453086 /nfs/dbraw/zinc/45/30/86/541453086.db2.gz OXLNOPZGODPVIT-UHFFFAOYSA-N 0 3 353.398 1.881 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543920802 541683657 /nfs/dbraw/zinc/68/36/57/541683657.db2.gz LKHMRJGUXUAIHQ-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(OCCO)CCOCC1 ZINC000282606189 182031132 /nfs/dbraw/zinc/03/11/32/182031132.db2.gz HWPWDUVUITXVBH-UHFFFAOYSA-N 0 3 354.403 1.641 20 5 FDBDHN COCCCN(C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282751714 182051940 /nfs/dbraw/zinc/05/19/40/182051940.db2.gz MPIMFRKTIHFSOI-UHFFFAOYSA-N 0 3 352.435 1.747 20 5 FDBDHN C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000283733615 182261825 /nfs/dbraw/zinc/26/18/25/182261825.db2.gz FWWYBVHMNNIKJZ-NSHDSACASA-N 0 3 367.427 1.379 20 5 FDBDHN CN(C)CCOc1cccc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)c1 ZINC000545674983 542007871 /nfs/dbraw/zinc/00/78/71/542007871.db2.gz PJKYXQXLYPLPSF-UHFFFAOYSA-N 0 3 359.346 1.225 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000286274701 183029201 /nfs/dbraw/zinc/02/92/01/183029201.db2.gz BLNAEUGQVPSSAD-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000288079223 183387440 /nfs/dbraw/zinc/38/74/40/183387440.db2.gz KUPNREHXOCJHLW-HIFRSBDPSA-N 0 3 360.414 1.927 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000288277347 183445709 /nfs/dbraw/zinc/44/57/09/183445709.db2.gz VAMWBKLQCIFZOW-DZGCQCFKSA-N 0 3 360.414 1.927 20 5 FDBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295786782 184105017 /nfs/dbraw/zinc/10/50/17/184105017.db2.gz ZJEDQAXNKURMRO-JOQOYGCGSA-N 0 3 355.394 1.909 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296791180 184201031 /nfs/dbraw/zinc/20/10/31/184201031.db2.gz QDXMRQMZVRTXPY-CYBMUJFWSA-N 0 3 366.418 1.962 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297038737 184228534 /nfs/dbraw/zinc/22/85/34/184228534.db2.gz WYSZZSPSTJWRHA-GJZGRUSLSA-N 0 3 363.462 1.981 20 5 FDBDHN COC(=O)Cc1ccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000297407793 184267658 /nfs/dbraw/zinc/26/76/58/184267658.db2.gz GGFAGRQUFAVYTD-CABCVRRESA-N 0 3 353.444 1.792 20 5 FDBDHN C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297593268 184292711 /nfs/dbraw/zinc/29/27/11/184292711.db2.gz MWBUVBYPIKDDBV-DZGCQCFKSA-N 0 3 350.419 1.802 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000172313433 258273503 /nfs/dbraw/zinc/27/35/03/258273503.db2.gz XYXGVAKMJHTXIF-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172580342 258280048 /nfs/dbraw/zinc/28/00/48/258280048.db2.gz RCZFQHSWGJQILR-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000548971891 542815848 /nfs/dbraw/zinc/81/58/48/542815848.db2.gz XKTSHUHUDVUHLP-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000173276262 258295094 /nfs/dbraw/zinc/29/50/94/258295094.db2.gz WUFFTNNAYRJTNW-GOSISDBHSA-N 0 3 360.458 1.766 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(N2CCSCC2)CCCC1 ZINC000052849761 171946007 /nfs/dbraw/zinc/94/60/07/171946007.db2.gz XYZGAZLLLYLXHC-UHFFFAOYSA-N 0 3 353.448 1.269 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134890 172006968 /nfs/dbraw/zinc/00/69/68/172006968.db2.gz URNZIVHPGPUNSQ-UHFFFAOYSA-N 0 3 356.386 1.532 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068307613 172018215 /nfs/dbraw/zinc/01/82/15/172018215.db2.gz DFOIJCUVPAEQCT-AWEZNQCLSA-N 0 3 351.403 1.879 20 5 FDBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CN1CCN(C)CC1 ZINC000074137826 172074098 /nfs/dbraw/zinc/07/40/98/172074098.db2.gz HKMSDASNLUWCAX-GFCCVEGCSA-N 0 3 360.418 1.084 20 5 FDBDHN CCN1CCN(CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137496 172074199 /nfs/dbraw/zinc/07/41/99/172074199.db2.gz BYSBTFXSLBTWDA-UHFFFAOYSA-N 0 3 364.446 1.508 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(COc3ccccc3)CC2)c1 ZINC000075646776 172093582 /nfs/dbraw/zinc/09/35/82/172093582.db2.gz HRVZGZMFOCEMSW-QGZVFWFLSA-N 0 3 360.414 1.943 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522651 172265510 /nfs/dbraw/zinc/26/55/10/172265510.db2.gz FJTAWAFMQUBSJG-LSDHHAIUSA-N 0 3 364.446 1.773 20 5 FDBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090519778 172265653 /nfs/dbraw/zinc/26/56/53/172265653.db2.gz IGYTWDWVVPDWSO-CABCVRRESA-N 0 3 364.446 1.773 20 5 FDBDHN CCCCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522666 172265679 /nfs/dbraw/zinc/26/56/79/172265679.db2.gz OZUBTJPIZLNOEN-AWEZNQCLSA-N 0 3 350.419 1.385 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN1CCOCC1 ZINC000150724029 173378955 /nfs/dbraw/zinc/37/89/55/173378955.db2.gz NLDFPPILCVNTIX-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177608304 174143937 /nfs/dbraw/zinc/14/39/37/174143937.db2.gz GGWXYMBJNPERJE-RDJZCZTQSA-N 0 3 368.434 1.202 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000177774124 174156770 /nfs/dbraw/zinc/15/67/70/174156770.db2.gz YEICXINNGBYKMX-CABCVRRESA-N 0 3 370.413 1.874 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000181162154 174209680 /nfs/dbraw/zinc/20/96/80/174209680.db2.gz KCSBHXYGJQXXLD-NUTKFTJISA-N 0 3 360.414 1.886 20 5 FDBDHN CC(=O)N(C)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181644159 174238353 /nfs/dbraw/zinc/23/83/53/174238353.db2.gz TUICOGHTCBSLSA-OAHLLOKOSA-N 0 3 351.403 1.277 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000173642244 258305954 /nfs/dbraw/zinc/30/59/54/258305954.db2.gz CSRNPKBVEPROTM-GJZGRUSLSA-N 0 3 360.370 1.718 20 5 FDBDHN C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000176490366 258324795 /nfs/dbraw/zinc/32/47/95/258324795.db2.gz QCBCGRNTTVRIDP-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000553360161 543618298 /nfs/dbraw/zinc/61/82/98/543618298.db2.gz JLENHKVMVXXUCM-QWRGUYRKSA-N 0 3 352.391 1.248 20 5 FDBDHN CC(=O)NCC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000554291540 543776194 /nfs/dbraw/zinc/77/61/94/543776194.db2.gz XTRSXODCJBCPPW-WBVHZDCISA-N 0 3 365.430 1.573 20 5 FDBDHN Cc1n[n-]c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000555206877 543925894 /nfs/dbraw/zinc/92/58/94/543925894.db2.gz YWBCLJSDEUPRQN-UHFFFAOYSA-N 0 3 351.407 1.201 20 5 FDBDHN Cc1[nH]nc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000555206877 543925896 /nfs/dbraw/zinc/92/58/96/543925896.db2.gz YWBCLJSDEUPRQN-UHFFFAOYSA-N 0 3 351.407 1.201 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000555206877 543925900 /nfs/dbraw/zinc/92/59/00/543925900.db2.gz YWBCLJSDEUPRQN-UHFFFAOYSA-N 0 3 351.407 1.201 20 5 FDBDHN COC(=O)c1cnc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000555364254 543947780 /nfs/dbraw/zinc/94/77/80/543947780.db2.gz YUOLSUMYHIGWLJ-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN CN(C)CCOc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccn1 ZINC000557904283 544360972 /nfs/dbraw/zinc/36/09/72/544360972.db2.gz GPDPUPVVDMGALM-UHFFFAOYSA-N 0 3 362.390 1.501 20 5 FDBDHN COc1ccc(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289709829 258839732 /nfs/dbraw/zinc/83/97/32/258839732.db2.gz OXXYWABLUGMSIJ-SJKOYZFVSA-N 0 3 362.386 1.556 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000293244542 258863765 /nfs/dbraw/zinc/86/37/65/258863765.db2.gz ZBXWWACLNNLFJF-ZBFHGGJFSA-N 0 3 366.805 1.959 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000298953284 258959295 /nfs/dbraw/zinc/95/92/95/258959295.db2.gz OOHUYJXNQAVSTJ-APXPCNQMSA-N 0 3 357.432 1.631 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](OCCN4CCCCC4)C3)nn21 ZINC000301967048 259036833 /nfs/dbraw/zinc/03/68/33/259036833.db2.gz OQSQVHAWJJGUKA-AWEZNQCLSA-N 0 3 360.418 1.719 20 5 FDBDHN O=C(N1CCCC1)[C@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331369657 259189715 /nfs/dbraw/zinc/18/97/15/259189715.db2.gz HTJJRWKSJHZMOJ-SFHVURJKSA-N 0 3 363.414 1.423 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000331710753 259214624 /nfs/dbraw/zinc/21/46/24/259214624.db2.gz KPTCVEIKEZZTMN-WOSRLPQWSA-N 0 3 360.414 1.266 20 5 FDBDHN Cc1[nH]nc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000331944693 259230238 /nfs/dbraw/zinc/23/02/38/259230238.db2.gz YBBWMACVZNZUCN-UHFFFAOYSA-N 0 3 365.434 1.591 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(CCCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000331944693 259230239 /nfs/dbraw/zinc/23/02/39/259230239.db2.gz YBBWMACVZNZUCN-UHFFFAOYSA-N 0 3 365.434 1.591 20 5 FDBDHN Cc1n[n-]c(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000331944693 259230240 /nfs/dbraw/zinc/23/02/40/259230240.db2.gz YBBWMACVZNZUCN-UHFFFAOYSA-N 0 3 365.434 1.591 20 5 FDBDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367142696 260000211 /nfs/dbraw/zinc/00/02/11/260000211.db2.gz ZUQVTTPQKJWUMA-JKSUJKDBSA-N 0 3 362.430 1.622 20 5 FDBDHN CCc1nn(C)c(N2CCC(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000367946409 260113869 /nfs/dbraw/zinc/11/38/69/260113869.db2.gz XSESPKMJVGNNNC-UHFFFAOYSA-N 0 3 350.467 1.355 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367950894 260114255 /nfs/dbraw/zinc/11/42/55/260114255.db2.gz OMICLKDVUNJXDJ-WDEREUQCSA-N 0 3 363.399 1.193 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368595923 260206776 /nfs/dbraw/zinc/20/67/76/260206776.db2.gz UFPXYDYUFDXHDH-MLGOLLRUSA-N 0 3 356.386 1.342 20 5 FDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000368975723 260271105 /nfs/dbraw/zinc/27/11/05/260271105.db2.gz XQNYZRUPNZGOAQ-IETSOEAISA-N 0 3 364.377 1.648 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000369009383 260276244 /nfs/dbraw/zinc/27/62/44/260276244.db2.gz KFJPFOVZQBEJIW-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369163637 260305281 /nfs/dbraw/zinc/30/52/81/260305281.db2.gz MLKPGDVFXFUXQZ-HNNXBMFYSA-N 0 3 358.402 1.215 20 5 FDBDHN COCCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000374017013 261066252 /nfs/dbraw/zinc/06/62/52/261066252.db2.gz HWPOUMSZBCLUKJ-UHFFFAOYSA-N 0 3 365.430 1.853 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374540422 261150316 /nfs/dbraw/zinc/15/03/16/261150316.db2.gz DWIGLNDMLGCDFU-LBPRGKRZSA-N 0 3 374.401 1.930 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000374828437 261205968 /nfs/dbraw/zinc/20/59/68/261205968.db2.gz KPWOQTZRTBXPDP-CQSZACIVSA-N 0 3 363.414 1.977 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375023892 261250300 /nfs/dbraw/zinc/25/03/00/261250300.db2.gz VRJWMHCVQUQUAP-ZENOOKHLSA-N 0 3 360.414 1.266 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375038515 261254052 /nfs/dbraw/zinc/25/40/52/261254052.db2.gz LJUUDOGFKGDHPL-YGRLFVJLSA-N 0 3 364.358 1.820 20 5 FDBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000375475078 261347316 /nfs/dbraw/zinc/34/73/16/261347316.db2.gz UXILKJDISNABGW-JKSUJKDBSA-N 0 3 362.430 1.427 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378274555 261999187 /nfs/dbraw/zinc/99/91/87/261999187.db2.gz RDUXWJWOHDTGOQ-LSDHHAIUSA-N 0 3 358.398 1.598 20 5 FDBDHN CCN1CCN(CCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000041443571 519656160 /nfs/dbraw/zinc/65/61/60/519656160.db2.gz NFCZNNSSTJRUJT-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN CCN(CC)C(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000072662010 522350497 /nfs/dbraw/zinc/35/04/97/522350497.db2.gz LDSMQBPNJCYSGD-HNNXBMFYSA-N 0 3 367.450 1.313 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831299 522399037 /nfs/dbraw/zinc/39/90/37/522399037.db2.gz ARSDBQNRDYSAJA-GOSISDBHSA-N 0 3 360.414 1.834 20 5 FDBDHN CN1CCN(CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061211537 522445696 /nfs/dbraw/zinc/44/56/96/522445696.db2.gz PQPIZMRYOFZWKI-UHFFFAOYSA-N 0 3 352.460 1.441 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000048883042 522789464 /nfs/dbraw/zinc/78/94/64/522789464.db2.gz HTXOUAYFBXVCFD-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN O=C([C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000065532740 522836175 /nfs/dbraw/zinc/83/61/75/522836175.db2.gz SOZVRCVWXSJEPE-OAHLLOKOSA-N 0 3 363.414 1.544 20 5 FDBDHN CS(=O)(=O)NCC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000053220145 523374640 /nfs/dbraw/zinc/37/46/40/523374640.db2.gz KJRRXZLWBIKZAK-HNNXBMFYSA-N 0 3 355.460 1.931 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000077928684 523500506 /nfs/dbraw/zinc/50/05/06/523500506.db2.gz YVVNJPCGGAHVLM-ZDUSSCGKSA-N 0 3 365.434 1.604 20 5 FDBDHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068222889 523734494 /nfs/dbraw/zinc/73/44/94/523734494.db2.gz IDKGMOWHASUKHC-UKRRQHHQSA-N 0 3 364.446 1.806 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000055265119 523782659 /nfs/dbraw/zinc/78/26/59/523782659.db2.gz MXXLPPUCKGFBBE-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000156633586 524120143 /nfs/dbraw/zinc/12/01/43/524120143.db2.gz GRVCWYDPPCTZPR-LRDDRELGSA-N 0 3 355.398 1.822 20 5 FDBDHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000110702459 524126608 /nfs/dbraw/zinc/12/66/08/524126608.db2.gz VZZNSYNODWAHFY-NWDGAFQWSA-N 0 3 366.443 1.423 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110865547 524149515 /nfs/dbraw/zinc/14/95/15/524149515.db2.gz BETPEIUWAJFSPZ-UHFFFAOYSA-N 0 3 359.430 1.786 20 5 FDBDHN CN(CCCO)C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000172279161 524187487 /nfs/dbraw/zinc/18/74/87/524187487.db2.gz HXZFLMHXNWKLKS-UHFFFAOYSA-N 0 3 371.459 1.281 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111617865 524312580 /nfs/dbraw/zinc/31/25/80/524312580.db2.gz DPZNGQLXEHYFKH-GFCCVEGCSA-N 0 3 356.382 1.650 20 5 FDBDHN COCCN(C)CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134052 524415660 /nfs/dbraw/zinc/41/56/60/524415660.db2.gz RYTHWNMJCHMRAW-UHFFFAOYSA-N 0 3 350.419 1.631 20 5 FDBDHN NC(=O)c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000112201101 524422630 /nfs/dbraw/zinc/42/26/30/524422630.db2.gz JLBRNEWGSVPMHQ-AWEZNQCLSA-N 0 3 362.430 1.238 20 5 FDBDHN Cc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000112362278 524471458 /nfs/dbraw/zinc/47/14/58/524471458.db2.gz LERZYLVUVLTJQE-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN CCc1n[nH]c(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000089461052 524503560 /nfs/dbraw/zinc/50/35/60/524503560.db2.gz HSRNELVTDSUAJX-UHFFFAOYSA-N 0 3 358.402 1.922 20 5 FDBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549045 524601427 /nfs/dbraw/zinc/60/14/27/524601427.db2.gz LQONYWZURPEVIG-AWEZNQCLSA-N 0 3 364.446 1.631 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000122731194 524603447 /nfs/dbraw/zinc/60/34/47/524603447.db2.gz ORNJNVYQVLFHLO-CHWSQXEVSA-N 0 3 351.403 1.923 20 5 FDBDHN CCN1CCN(CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122809320 524621637 /nfs/dbraw/zinc/62/16/37/524621637.db2.gz QCCPRTGNKKUDCT-UHFFFAOYSA-N 0 3 362.474 1.980 20 5 FDBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(CCO)CC2)c(Cl)c1 ZINC000123020076 524664776 /nfs/dbraw/zinc/66/47/76/524664776.db2.gz GCHZDXBEVCAFSI-UHFFFAOYSA-N 0 3 357.842 1.445 20 5 FDBDHN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C[C@@H](C)O ZINC000174635747 524665105 /nfs/dbraw/zinc/66/51/05/524665105.db2.gz JDLATCDIVZWDBJ-VXGBXAGGSA-N 0 3 361.402 1.388 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000175081085 524865310 /nfs/dbraw/zinc/86/53/10/524865310.db2.gz SCTZOYKSURGBDQ-NWDGAFQWSA-N 0 3 357.432 1.755 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000115439315 524995754 /nfs/dbraw/zinc/99/57/54/524995754.db2.gz JKQZDOWVFLOBNK-CYBMUJFWSA-N 0 3 358.402 1.589 20 5 FDBDHN Cc1c([C@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000160991947 525011103 /nfs/dbraw/zinc/01/11/03/525011103.db2.gz WSRSTJYIFLMMTL-ZDUSSCGKSA-N 0 3 370.409 1.969 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000152978284 525064679 /nfs/dbraw/zinc/06/46/79/525064679.db2.gz GEAQOJKBDYDSOB-ZDUSSCGKSA-N 0 3 370.475 1.623 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161388463 525099886 /nfs/dbraw/zinc/09/98/86/525099886.db2.gz RTEDAHSAQJOGTM-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126505055 525319163 /nfs/dbraw/zinc/31/91/63/525319163.db2.gz LYBAHPIQZRALLA-HNNXBMFYSA-N 0 3 358.398 1.046 20 5 FDBDHN C[C@H](C[S@](C)=O)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126529666 525322186 /nfs/dbraw/zinc/32/21/86/525322186.db2.gz JYUAPGXKONJYFJ-YDGUKXNOSA-N 0 3 355.416 1.592 20 5 FDBDHN C[C@H]1CC[C@@H](C(N)=O)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339056 525323656 /nfs/dbraw/zinc/32/36/56/525323656.db2.gz XSHYMSZNWNUGQQ-NWDGAFQWSA-N 0 3 362.386 1.479 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000127382736 525415569 /nfs/dbraw/zinc/41/55/69/525415569.db2.gz QNUAHGSOAYXXJF-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154696225 525611839 /nfs/dbraw/zinc/61/18/39/525611839.db2.gz WXCRGSSEHXUPSI-AWEZNQCLSA-N 0 3 371.441 1.899 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000130366014 525750272 /nfs/dbraw/zinc/75/02/72/525750272.db2.gz RVMVDIXUCSMEQX-GFCCVEGCSA-N 0 3 374.401 1.110 20 5 FDBDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109133164 526079366 /nfs/dbraw/zinc/07/93/66/526079366.db2.gz LWTGDVFOSRAGTH-WFASDCNBSA-N 0 3 356.386 1.205 20 5 FDBDHN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000120608098 526126084 /nfs/dbraw/zinc/12/60/84/526126084.db2.gz QMCDMGGDZFDFQP-OAHLLOKOSA-N 0 3 363.462 1.320 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000183120203 535922845 /nfs/dbraw/zinc/92/28/45/535922845.db2.gz YKVOZSYFXSJCKL-ZDUSSCGKSA-N 0 3 362.430 1.481 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000183383109 535971193 /nfs/dbraw/zinc/97/11/93/535971193.db2.gz FISDVDSCEBARDM-HNNXBMFYSA-N 0 3 360.414 1.330 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000184169324 536107332 /nfs/dbraw/zinc/10/73/32/536107332.db2.gz ILPLVZKFQYUMFM-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000184368433 536140948 /nfs/dbraw/zinc/14/09/48/536140948.db2.gz CYBXRNCYSURNEE-CQSZACIVSA-N 0 3 373.457 1.761 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000184400745 536146100 /nfs/dbraw/zinc/14/61/00/536146100.db2.gz NCCWTOZXCLZTEC-LBPRGKRZSA-N 0 3 365.390 1.259 20 5 FDBDHN C[C@@H](C(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185030110 536196379 /nfs/dbraw/zinc/19/63/79/536196379.db2.gz YGVATYKDDWUXOV-UONOGXRCSA-N 0 3 366.437 1.837 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000186974440 536251181 /nfs/dbraw/zinc/25/11/81/536251181.db2.gz OFADSSRRSHCTRY-JTQLQIEISA-N 0 3 361.395 1.457 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188177831 536284990 /nfs/dbraw/zinc/28/49/90/536284990.db2.gz YAEYWGVMGVTJQQ-CYBMUJFWSA-N 0 3 366.487 1.930 20 5 FDBDHN CC(C)N1CCN(CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000188211824 536286107 /nfs/dbraw/zinc/28/61/07/536286107.db2.gz SCBKYXRRKZBWNL-UHFFFAOYSA-N 0 3 360.414 1.607 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188919320 536970325 /nfs/dbraw/zinc/97/03/25/536970325.db2.gz QYGOKYANHDZTAE-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000263683220 537064057 /nfs/dbraw/zinc/06/40/57/537064057.db2.gz HKWXCGHAZDAXDD-DVQDXYAYSA-N 0 3 374.441 1.667 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000247247532 537099999 /nfs/dbraw/zinc/09/99/99/537099999.db2.gz DNUQOXKGFCEVRY-MLGOLLRUSA-N 0 3 358.402 1.588 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000247414412 537117799 /nfs/dbraw/zinc/11/77/99/537117799.db2.gz NLXVAZPNRRGEGP-HEHGZKQESA-N 0 3 362.430 1.512 20 5 FDBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247456312 537120657 /nfs/dbraw/zinc/12/06/57/537120657.db2.gz HXHQLZAZXOOCBO-DZGCQCFKSA-N 0 3 367.450 1.027 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190167718 537149114 /nfs/dbraw/zinc/14/91/14/537149114.db2.gz QBAZEKCQHOLYDO-LBPRGKRZSA-N 0 3 351.407 1.214 20 5 FDBDHN NC(=O)CC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459569 537184984 /nfs/dbraw/zinc/18/49/84/537184984.db2.gz NSQZKOAWDRYGHN-KBPBESRZSA-N 0 3 351.403 1.312 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266303725 537197139 /nfs/dbraw/zinc/19/71/39/537197139.db2.gz YZACTBIIUFFEIH-NWDGAFQWSA-N 0 3 356.448 1.422 20 5 FDBDHN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000248758181 537211436 /nfs/dbraw/zinc/21/14/36/537211436.db2.gz XBSLEFHKOORHLJ-IEBWSBKVSA-N 0 3 373.457 1.749 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OCCN(C)C)c2)n1 ZINC000191799096 537212822 /nfs/dbraw/zinc/21/28/22/537212822.db2.gz WILBNDCECNUNOA-UHFFFAOYSA-N 0 3 361.402 1.682 20 5 FDBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCNC1=O ZINC000282219949 537269778 /nfs/dbraw/zinc/26/97/78/537269778.db2.gz DVWGEIOBYNUCKH-ZDUSSCGKSA-N 0 3 350.375 1.142 20 5 FDBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCNC1=O ZINC000282219946 537270452 /nfs/dbraw/zinc/27/04/52/537270452.db2.gz DVWGEIOBYNUCKH-CYBMUJFWSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1ccc(NC(=O)CCNC2(C(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000298691051 537275551 /nfs/dbraw/zinc/27/55/51/537275551.db2.gz SKQXFMFPKCZLRE-UHFFFAOYSA-N 0 3 364.402 1.710 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276209816 537331236 /nfs/dbraw/zinc/33/12/36/537331236.db2.gz WBRNFMNNPSQVCB-LLVKDONJSA-N 0 3 362.386 1.309 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000272809320 537343828 /nfs/dbraw/zinc/34/38/28/537343828.db2.gz BQENCLWMCFOAEP-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(c2ccncc2)CC1 ZINC000363889639 537356069 /nfs/dbraw/zinc/35/60/69/537356069.db2.gz SXXHWZNSQKPNQM-UHFFFAOYSA-N 0 3 356.386 1.708 20 5 FDBDHN CN(C)CCOc1ccccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290629948 537377821 /nfs/dbraw/zinc/37/78/21/537377821.db2.gz MNFAHELXQGJNNS-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000298953291 537386754 /nfs/dbraw/zinc/38/67/54/537386754.db2.gz OOHUYJXNQAVSTJ-BUBHHJDNSA-N 0 3 357.432 1.631 20 5 FDBDHN C[C@@H]1CN(CCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195313988 537396808 /nfs/dbraw/zinc/39/68/08/537396808.db2.gz NBFGRUIRLDVGPF-GASCZTMLSA-N 0 3 364.446 1.964 20 5 FDBDHN CS[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273170873 537405061 /nfs/dbraw/zinc/40/50/61/537405061.db2.gz OTDCZUXIZDAKDS-JGGQBBKZSA-N 0 3 355.460 1.312 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000293598707 537530830 /nfs/dbraw/zinc/53/08/30/537530830.db2.gz BRVQXABODHKMGX-GOSISDBHSA-N 0 3 360.414 1.187 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000293796820 537593215 /nfs/dbraw/zinc/59/32/15/537593215.db2.gz CZYGPTXSPYXRJW-QWHCGFSZSA-N 0 3 351.407 1.206 20 5 FDBDHN CON(C)C(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000291967546 537694781 /nfs/dbraw/zinc/69/47/81/537694781.db2.gz VJTPUQBIHYAWHD-OAHLLOKOSA-N 0 3 367.402 1.066 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292082177 537706078 /nfs/dbraw/zinc/70/60/78/537706078.db2.gz RDPWSSRHSYUCGA-CQSZACIVSA-N 0 3 359.835 1.965 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298189408 537716894 /nfs/dbraw/zinc/71/68/94/537716894.db2.gz NJLMOVBOOYWXED-GFCCVEGCSA-N 0 3 366.443 1.386 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292912850 537757155 /nfs/dbraw/zinc/75/71/55/537757155.db2.gz XDRIGXLBSBOCAR-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(c3ccccc3F)CC2)c1 ZINC000375804442 537777009 /nfs/dbraw/zinc/77/70/09/537777009.db2.gz IDMYRXIMEJNWJB-OAHLLOKOSA-N 0 3 363.393 1.504 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405288877 537806675 /nfs/dbraw/zinc/80/66/75/537806675.db2.gz YYCPMRSEBNFKDS-QWHCGFSZSA-N 0 3 356.220 1.608 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414569568 537837215 /nfs/dbraw/zinc/83/72/15/537837215.db2.gz IOFDMYRCASISEF-KGLIPLIRSA-N 0 3 352.387 1.787 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416555795 537881594 /nfs/dbraw/zinc/88/15/94/537881594.db2.gz FKCUUXUERAILJJ-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372246643 537905164 /nfs/dbraw/zinc/90/51/64/537905164.db2.gz GEFRWXRHIPMQRW-XPKDYRNWSA-N 0 3 362.434 1.621 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2nnc(N)cc2C1 ZINC000377557858 537976637 /nfs/dbraw/zinc/97/66/37/537976637.db2.gz ZOFOBEUFCQYWND-UHFFFAOYSA-N 0 3 372.385 1.363 20 5 FDBDHN CNCc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000415226491 537982062 /nfs/dbraw/zinc/98/20/62/537982062.db2.gz JARYNEXGDKHNGX-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)cc1[N+](=O)[O-] ZINC000419281758 538021592 /nfs/dbraw/zinc/02/15/92/538021592.db2.gz XXFVADWADRWOEF-DETPVDSQSA-N 0 3 362.430 1.666 20 5 FDBDHN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCN(c2ccncc2)CC1 ZINC000378173479 538074625 /nfs/dbraw/zinc/07/46/25/538074625.db2.gz BYSSCZXXPUEMBF-UHFFFAOYSA-N 0 3 373.417 1.497 20 5 FDBDHN COC(=O)c1cc([N-]C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc([N+](=O)[O-])c1 ZINC000424093434 538232528 /nfs/dbraw/zinc/23/25/28/538232528.db2.gz RXGREHSWEODNPN-GFCCVEGCSA-N 0 3 374.357 1.150 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000442114506 538355768 /nfs/dbraw/zinc/35/57/68/538355768.db2.gz AMOYTVPEXSFYKY-GHMZBOCLSA-N 0 3 350.375 1.141 20 5 FDBDHN CC(C)N(CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000454388476 538551856 /nfs/dbraw/zinc/55/18/56/538551856.db2.gz RYDXURSFQIFIFR-UHFFFAOYSA-N 0 3 371.459 1.847 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000496371759 538698807 /nfs/dbraw/zinc/69/88/07/538698807.db2.gz HFVAYFSZOXLTTH-UHFFFAOYSA-N 0 3 350.419 1.515 20 5 FDBDHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488684187 538761064 /nfs/dbraw/zinc/76/10/64/538761064.db2.gz KNCZTIYPQLSTPI-SNVBAGLBSA-N 0 3 365.419 1.262 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000488869840 538773662 /nfs/dbraw/zinc/77/36/62/538773662.db2.gz RCZAXWHHLAZXMX-CYBMUJFWSA-N 0 3 365.405 1.988 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000470063935 538827675 /nfs/dbraw/zinc/82/76/75/538827675.db2.gz BFQUNNSOGDVGKV-CQSZACIVSA-N 0 3 360.414 1.465 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000474345713 538835191 /nfs/dbraw/zinc/83/51/91/538835191.db2.gz OHARJYONLSWRMC-GFCCVEGCSA-N 0 3 365.386 1.247 20 5 FDBDHN CCOc1ccc([C@H](C)NCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905577 538850928 /nfs/dbraw/zinc/85/09/28/538850928.db2.gz KMZNJJSVOPSRSZ-ZFWWWQNUSA-N 0 3 364.446 1.984 20 5 FDBDHN CN(C)S(=O)(=O)N1CCC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000561757942 545944588 /nfs/dbraw/zinc/94/45/88/545944588.db2.gz RWMFMGWYFHANMS-SBJJXXPASA-N 0 3 368.459 1.468 20 5 FDBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](CN)C1 ZINC000563152853 546427585 /nfs/dbraw/zinc/42/75/85/546427585.db2.gz NBFMURSGDHSCOM-LBPRGKRZSA-N 0 3 371.235 1.001 20 5 FDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000564959526 547129187 /nfs/dbraw/zinc/12/91/87/547129187.db2.gz KIDWDQUWBVYDIV-UHFFFAOYSA-N 0 3 364.221 1.517 20 5 FDBDHN Nc1nccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566442417 547759519 /nfs/dbraw/zinc/75/95/19/547759519.db2.gz GJSXGPDCLDGHBC-CYBMUJFWSA-N 0 3 363.418 1.289 20 5 FDBDHN Cc1ccc(CNC[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000567020155 547966422 /nfs/dbraw/zinc/96/64/22/547966422.db2.gz GGJHPEWBFROGTQ-OAHLLOKOSA-N 0 3 370.475 1.654 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570527291 549313556 /nfs/dbraw/zinc/31/35/56/549313556.db2.gz KZJYFKNQWCEKGV-SWLSCSKDSA-N 0 3 353.444 1.986 20 5 FDBDHN COc1ccc2c(c1)OC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000571040126 549502973 /nfs/dbraw/zinc/50/29/73/549502973.db2.gz UCFAFPHPNSGVOZ-LSDHHAIUSA-N 0 3 374.393 1.936 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CF)CCOCC2)cc1 ZINC000571634351 549715251 /nfs/dbraw/zinc/71/52/51/549715251.db2.gz OLIAOJIIFPYDLO-UHFFFAOYSA-N 0 3 360.407 1.724 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000571733908 549744808 /nfs/dbraw/zinc/74/48/08/549744808.db2.gz JBSSROHJTWVSJZ-JOYOIKCWSA-N 0 3 371.340 1.981 20 5 FDBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000573249191 550096685 /nfs/dbraw/zinc/09/66/85/550096685.db2.gz YLYAXCDRJFMFDV-OUJBWJOFSA-N 0 3 352.309 1.626 20 5 FDBDHN CN(C)C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000573951554 550237114 /nfs/dbraw/zinc/23/71/14/550237114.db2.gz CKGXJNPAIJEVNO-ZDUSSCGKSA-N 0 3 365.821 1.906 20 5 FDBDHN CCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000574234966 550280386 /nfs/dbraw/zinc/28/03/86/550280386.db2.gz WBXXPTQZKGLWPQ-CQSZACIVSA-N 0 3 350.375 1.349 20 5 FDBDHN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000574584408 550337757 /nfs/dbraw/zinc/33/77/57/550337757.db2.gz YUVPZDUIZKOQHU-LBPRGKRZSA-N 0 3 350.419 1.055 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575989544 550499259 /nfs/dbraw/zinc/49/92/59/550499259.db2.gz OTTJPNWQWSTHLZ-SIIHOXLZSA-N 0 3 360.414 1.407 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000576736068 550580761 /nfs/dbraw/zinc/58/07/61/550580761.db2.gz OQSLOOYZQZNIFF-CQSZACIVSA-N 0 3 356.448 1.264 20 5 FDBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000577501259 550663617 /nfs/dbraw/zinc/66/36/17/550663617.db2.gz XVODNDCYYAACEA-AWEZNQCLSA-N 0 3 355.460 1.690 20 5 FDBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577624111 550676850 /nfs/dbraw/zinc/67/68/50/550676850.db2.gz NRWVJMJLLSFFGN-NSHDSACASA-N 0 3 355.416 1.479 20 5 FDBDHN CCc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(CC)CC)cc1 ZINC000578783263 550801585 /nfs/dbraw/zinc/80/15/85/550801585.db2.gz GJSPKUMVEZSCNB-INIZCTEOSA-N 0 3 374.445 1.948 20 5 FDBDHN CC(C)(C)NS(=O)(=O)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581290075 551072311 /nfs/dbraw/zinc/07/23/11/551072311.db2.gz SCTDPMVWFOSAEO-STQMWFEESA-N 0 3 373.479 1.583 20 5 FDBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O ZINC000583694138 551388878 /nfs/dbraw/zinc/38/88/78/551388878.db2.gz XFRBAQNGZDKRLW-HOTGVXAUSA-N 0 3 356.444 1.899 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(OCC(F)F)c2)c1 ZINC000583989595 551431224 /nfs/dbraw/zinc/43/12/24/551431224.db2.gz JSGVBBTZDXEVMC-ZDUSSCGKSA-N 0 3 356.329 1.586 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000584664640 551525889 /nfs/dbraw/zinc/52/58/89/551525889.db2.gz LRYWENVGZFSARI-KRWDZBQOSA-N 0 3 365.455 1.893 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841402 551691800 /nfs/dbraw/zinc/69/18/00/551691800.db2.gz AUFFQHJKXDNXQN-UHFFFAOYSA-N 0 3 366.381 1.688 20 5 FDBDHN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000588873552 551695573 /nfs/dbraw/zinc/69/55/73/551695573.db2.gz CQPNLSAGDUSVQU-LBPRGKRZSA-N 0 3 364.446 1.688 20 5 FDBDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000589102671 551709740 /nfs/dbraw/zinc/70/97/40/551709740.db2.gz DNIZWMAYVUNSFM-HNNXBMFYSA-N 0 3 364.427 1.957 20 5 FDBDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000589102672 551709795 /nfs/dbraw/zinc/70/97/95/551709795.db2.gz DNIZWMAYVUNSFM-OAHLLOKOSA-N 0 3 364.427 1.957 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000590165385 551763352 /nfs/dbraw/zinc/76/33/52/551763352.db2.gz NVMOPUJDBWWNHS-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590752231 551812057 /nfs/dbraw/zinc/81/20/57/551812057.db2.gz HWMBICNJJWVREH-NEPJUHHUSA-N 0 3 351.359 1.473 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590806553 551818930 /nfs/dbraw/zinc/81/89/30/551818930.db2.gz PVSKBAKHGQQSKO-HNNXBMFYSA-N 0 3 374.445 1.306 20 5 FDBDHN COc1ccc(NC(=O)CCN(CC(N)=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000591013287 551835418 /nfs/dbraw/zinc/83/54/18/551835418.db2.gz WINGTCPQWIAAQH-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000591984900 551923471 /nfs/dbraw/zinc/92/34/71/551923471.db2.gz JUCBLRNQZONEEU-SECBINFHSA-N 0 3 361.324 1.565 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166878 551952430 /nfs/dbraw/zinc/95/24/30/551952430.db2.gz KHNPMPXSWNGGBL-GUDVDZBRSA-N 0 3 374.441 1.610 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592523741 552004616 /nfs/dbraw/zinc/00/46/16/552004616.db2.gz AJDSEWQSONMPFO-CYBMUJFWSA-N 0 3 350.419 1.545 20 5 FDBDHN CCCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCN(C)C1 ZINC000592833223 552033535 /nfs/dbraw/zinc/03/35/35/552033535.db2.gz XDJKJIYVLVKQSK-GFCCVEGCSA-N 0 3 374.397 1.134 20 5 FDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593062690 552057567 /nfs/dbraw/zinc/05/75/67/552057567.db2.gz DZCPKWPKDIVFOM-QWHCGFSZSA-N 0 3 353.375 1.014 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)n1 ZINC000593070374 552058200 /nfs/dbraw/zinc/05/82/00/552058200.db2.gz VFAWVZAPSLKKKS-ROUUACIJSA-N 0 3 371.441 1.767 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593136375 552066319 /nfs/dbraw/zinc/06/63/19/552066319.db2.gz RLZPRAYGZQJEBU-UHFFFAOYSA-N 0 3 369.809 1.486 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593142749 552067073 /nfs/dbraw/zinc/06/70/73/552067073.db2.gz QDJSSOREXWLCOG-ZDUSSCGKSA-N 0 3 365.405 1.988 20 5 FDBDHN CN(C)CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000593485985 552116291 /nfs/dbraw/zinc/11/62/91/552116291.db2.gz FHIPWFAYAZQONL-UHFFFAOYSA-N 0 3 371.235 1.568 20 5 FDBDHN COc1cc(C(=O)N[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000594451934 552313145 /nfs/dbraw/zinc/31/31/45/552313145.db2.gz UGXLAMVMXYHBFE-VIFPVBQESA-N 0 3 373.234 1.824 20 5 FDBDHN NC[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000594524067 552327526 /nfs/dbraw/zinc/32/75/26/552327526.db2.gz HUGPSOCXZUWRGM-LBPRGKRZSA-N 0 3 361.324 1.316 20 5 FDBDHN NS(=O)(=O)c1c(N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594601953 552339423 /nfs/dbraw/zinc/33/94/23/552339423.db2.gz PWZZZRCKCLYASV-AAEUAGOBSA-N 0 3 354.432 1.671 20 5 FDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000594713195 552361696 /nfs/dbraw/zinc/36/16/96/552361696.db2.gz YVGOVUPYAOMKIR-MLGOLLRUSA-N 0 3 351.403 1.953 20 5 FDBDHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594802566 552390439 /nfs/dbraw/zinc/39/04/39/552390439.db2.gz XNHZXAXSCDXAJS-CQSZACIVSA-N 0 3 355.460 1.930 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC1CCN([C@@H]3CCOC3)CC1)OCCO2 ZINC000594992931 552433961 /nfs/dbraw/zinc/43/39/61/552433961.db2.gz LOEKPGRFNOAKAR-OAHLLOKOSA-N 0 3 363.414 1.709 20 5 FDBDHN CCS(=O)(=O)N(C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595016747 552438051 /nfs/dbraw/zinc/43/80/51/552438051.db2.gz WFNZPXWXWFRBBS-LBPRGKRZSA-N 0 3 359.448 1.926 20 5 FDBDHN CCOc1ccc([C@H](C)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595077571 552445787 /nfs/dbraw/zinc/44/57/87/552445787.db2.gz JRGFAMOOBSDJLW-SUMWQHHRSA-N 0 3 354.403 1.812 20 5 FDBDHN Nc1n[nH]c(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000595487401 552570951 /nfs/dbraw/zinc/57/09/51/552570951.db2.gz HSJUXGMXRPSAAF-UHFFFAOYSA-N 0 3 359.390 1.503 20 5 FDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000596049584 552649915 /nfs/dbraw/zinc/64/99/15/552649915.db2.gz FUCZGTCMGOWWRI-QMMMGPOBSA-N 0 3 361.729 1.758 20 5 FDBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1 ZINC000596068964 552652088 /nfs/dbraw/zinc/65/20/88/552652088.db2.gz BXCPCJZWDNEWPP-CQSZACIVSA-N 0 3 356.448 1.775 20 5 FDBDHN CCN1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000596073238 552652512 /nfs/dbraw/zinc/65/25/12/552652512.db2.gz IZVYVBASHOFTCI-UHFFFAOYSA-N 0 3 358.240 1.224 20 5 FDBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596097208 552654953 /nfs/dbraw/zinc/65/49/53/552654953.db2.gz CVERYYWVMIGXGP-UHFFFAOYSA-N 0 3 356.176 1.172 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000596296092 552671713 /nfs/dbraw/zinc/67/17/13/552671713.db2.gz GTFGJGULBSZASW-QWHCGFSZSA-N 0 3 354.432 1.671 20 5 FDBDHN COc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596832360 552715744 /nfs/dbraw/zinc/71/57/44/552715744.db2.gz PMHHKBPHBIVJEE-AWEZNQCLSA-N 0 3 364.402 1.978 20 5 FDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000597193196 552759372 /nfs/dbraw/zinc/75/93/72/552759372.db2.gz VORYULCVIHHMPN-NZUILWFCSA-N 0 3 368.455 1.708 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597696672 552823173 /nfs/dbraw/zinc/82/31/73/552823173.db2.gz WUBXSSJRDONFNA-TZMCWYRMSA-N 0 3 363.370 1.259 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859635 552841773 /nfs/dbraw/zinc/84/17/73/552841773.db2.gz WQDOVPHOROBNPO-IUODEOHRSA-N 0 3 362.430 1.702 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)n1 ZINC000597988866 552852827 /nfs/dbraw/zinc/85/28/27/552852827.db2.gz AWLXSJJGGRXTMT-OAHLLOKOSA-N 0 3 373.413 1.308 20 5 FDBDHN CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCN(CC)C1 ZINC000598039779 552859577 /nfs/dbraw/zinc/85/95/77/552859577.db2.gz NDGUWAGDMKCCNS-HNNXBMFYSA-N 0 3 358.402 1.732 20 5 FDBDHN COC(=O)c1ccnc(NC2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000598586538 552911581 /nfs/dbraw/zinc/91/15/81/552911581.db2.gz HMPYAHMILZCSLN-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FDBDHN O=[N+]([O-])c1c(N[C@H]2CCCN3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598629659 552918273 /nfs/dbraw/zinc/91/82/73/552918273.db2.gz ANHKJBYZWXJBHB-KBPBESRZSA-N 0 3 362.434 1.650 20 5 FDBDHN CSc1cccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598867284 552938261 /nfs/dbraw/zinc/93/82/61/552938261.db2.gz OMYWVPTZAYRGPW-UHFFFAOYSA-N 0 3 368.459 1.409 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896701 552940882 /nfs/dbraw/zinc/94/08/82/552940882.db2.gz MURZMLYFLOCGSP-UHFFFAOYSA-N 0 3 351.407 1.517 20 5 FDBDHN CC(C)N1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598896986 552940918 /nfs/dbraw/zinc/94/09/18/552940918.db2.gz UMMUQBRRGQOXBO-UHFFFAOYSA-N 0 3 363.418 1.659 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599055015 552963029 /nfs/dbraw/zinc/96/30/29/552963029.db2.gz FCQRLIKRUFALFV-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599163039 552977054 /nfs/dbraw/zinc/97/70/54/552977054.db2.gz ABLWNDBCQBFPDR-CYBMUJFWSA-N 0 3 354.432 1.671 20 5 FDBDHN COCCN(C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599278444 553013001 /nfs/dbraw/zinc/01/30/01/553013001.db2.gz DFQSFIMIYXUMQG-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN C[C@]1(CO)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624092 553106567 /nfs/dbraw/zinc/10/65/67/553106567.db2.gz PDKLRXJFHVWZCC-CALCHBBNSA-N 0 3 351.403 1.236 20 5 FDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600472068 553273325 /nfs/dbraw/zinc/27/33/25/553273325.db2.gz MLDRAARJCAGWCP-HNNXBMFYSA-N 0 3 370.413 1.922 20 5 FDBDHN COc1cccc([C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)OC)c1 ZINC000600746397 553310298 /nfs/dbraw/zinc/31/02/98/553310298.db2.gz SMRPDGVMNQEIDE-HOCLYGCPSA-N 0 3 350.375 1.138 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000601106560 553347968 /nfs/dbraw/zinc/34/79/68/553347968.db2.gz ZTIDRJOWXRJBRF-UHFFFAOYSA-N 0 3 351.329 1.606 20 5 FDBDHN CN1CCN(CC2(C)CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601142005 553352072 /nfs/dbraw/zinc/35/20/72/553352072.db2.gz KOLFPDVGUUXTJO-UHFFFAOYSA-N 0 3 351.426 1.983 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601849586 553480827 /nfs/dbraw/zinc/48/08/27/553480827.db2.gz HKGRQCWANBAYKI-INIZCTEOSA-N 0 3 357.414 1.799 20 5 FDBDHN CCOC(=O)[C@@]1(COC)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602829944 553646449 /nfs/dbraw/zinc/64/64/49/553646449.db2.gz WIHPHUNLODGJLR-INIZCTEOSA-N 0 3 354.407 1.391 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000602908194 553666443 /nfs/dbraw/zinc/66/64/43/553666443.db2.gz UUESDVIBWBPSMB-HNNXBMFYSA-N 0 3 351.451 1.675 20 5 FDBDHN CN1CCC(N2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000609572277 554395479 /nfs/dbraw/zinc/39/54/79/554395479.db2.gz XOOBDGODRLOYOD-AWEZNQCLSA-N 0 3 350.394 1.632 20 5 FDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000609572281 554395559 /nfs/dbraw/zinc/39/55/59/554395559.db2.gz XOOBDGODRLOYOD-CQSZACIVSA-N 0 3 350.394 1.632 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000610241471 554477258 /nfs/dbraw/zinc/47/72/58/554477258.db2.gz FSXOHLACXNUHOP-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000610429896 554504544 /nfs/dbraw/zinc/50/45/44/554504544.db2.gz CTDXVJSTRFWWOL-HZSPNIEDSA-N 0 3 364.450 1.522 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610446113 554507917 /nfs/dbraw/zinc/50/79/17/554507917.db2.gz RCXRNLHFHDSPFQ-AWEZNQCLSA-N 0 3 358.402 1.309 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000610819605 554567138 /nfs/dbraw/zinc/56/71/38/554567138.db2.gz AMRZOBIQJPUJIC-IAGOWNOFSA-N 0 3 362.474 1.960 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000611176949 554612900 /nfs/dbraw/zinc/61/29/00/554612900.db2.gz LOACZNWRKCHFQR-UHFFFAOYSA-N 0 3 364.450 1.257 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](CN3CCOCC3)C1)OCCO2 ZINC000611273995 554621035 /nfs/dbraw/zinc/62/10/35/554621035.db2.gz FHXIALHNZYNTTM-AWEZNQCLSA-N 0 3 363.414 1.520 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(O)cc2)cc1 ZINC000611526580 554642013 /nfs/dbraw/zinc/64/20/13/554642013.db2.gz VLHQJBKOUZQLPX-UHFFFAOYSA-N 0 3 351.384 1.369 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938053 554706001 /nfs/dbraw/zinc/70/60/01/554706001.db2.gz HJEMYLQLSIWOQD-OALUTQOASA-N 0 3 373.457 1.969 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000615313857 555190398 /nfs/dbraw/zinc/19/03/98/555190398.db2.gz WKIQWIJWHSHPIQ-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617716955 555493104 /nfs/dbraw/zinc/49/31/04/555493104.db2.gz BHAOXVUZAQHMRL-DYVFJYSZSA-N 0 3 374.441 1.639 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618288406 555605196 /nfs/dbraw/zinc/60/51/96/555605196.db2.gz BJYNRYSDIIIWIF-MRXNPFEDSA-N 0 3 372.429 1.385 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000619254536 555745716 /nfs/dbraw/zinc/74/57/16/555745716.db2.gz MGXASXCQQQXDGO-GOSISDBHSA-N 0 3 364.446 1.702 20 5 FDBDHN COc1c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000619436060 555776458 /nfs/dbraw/zinc/77/64/58/555776458.db2.gz BDZPEZMTCMKKMU-ZDUSSCGKSA-N 0 3 362.430 1.502 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000619486792 555786351 /nfs/dbraw/zinc/78/63/51/555786351.db2.gz YEFQVTQNGPODIW-NEPJUHHUSA-N 0 3 357.432 1.564 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619578185 555802373 /nfs/dbraw/zinc/80/23/73/555802373.db2.gz CDJBQCJVPYJYLT-UKRRQHHQSA-N 0 3 362.430 1.656 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368063 598501393 /nfs/dbraw/zinc/50/13/93/598501393.db2.gz CPOUOIWSCRPWQW-UHFFFAOYSA-N 0 3 372.433 1.872 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368063 598501394 /nfs/dbraw/zinc/50/13/94/598501394.db2.gz CPOUOIWSCRPWQW-UHFFFAOYSA-N 0 3 372.433 1.872 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596242 606041657 /nfs/dbraw/zinc/04/16/57/606041657.db2.gz FATHZTNGAATDRB-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596242 606041665 /nfs/dbraw/zinc/04/16/65/606041665.db2.gz FATHZTNGAATDRB-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596242 606041668 /nfs/dbraw/zinc/04/16/68/606041668.db2.gz FATHZTNGAATDRB-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596242 606041676 /nfs/dbraw/zinc/04/16/76/606041676.db2.gz FATHZTNGAATDRB-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000275630414 674627140 /nfs/dbraw/zinc/62/71/40/674627140.db2.gz QDNUXMPJQXFQLQ-NEPJUHHUSA-N 0 3 350.375 1.176 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277805587 675044621 /nfs/dbraw/zinc/04/46/21/675044621.db2.gz WVDLIWSMDMPFFV-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069503131 671383730 /nfs/dbraw/zinc/38/37/30/671383730.db2.gz NTFHTLBORWSYNZ-LBPRGKRZSA-N 0 3 355.366 1.340 20 5 FDBDHN CNC(=O)NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266616744 673159504 /nfs/dbraw/zinc/15/95/04/673159504.db2.gz SIAXSCXWLSAFOS-UHFFFAOYSA-N 0 3 350.375 1.284 20 5 FDBDHN CO[C@H](CN)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000289776473 676176974 /nfs/dbraw/zinc/17/69/74/676176974.db2.gz XWDQFZCLBGUXGC-LLVKDONJSA-N 0 3 350.297 1.115 20 5 FDBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000284874042 675756202 /nfs/dbraw/zinc/75/62/02/675756202.db2.gz VJQLGYMMFMXVJI-GFCCVEGCSA-N 0 3 352.416 1.936 20 5 FDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292863408 676322500 /nfs/dbraw/zinc/32/25/00/676322500.db2.gz RSRQFTZKGWBFQL-QGZVFWFLSA-N 0 3 367.471 1.885 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000293244530 676339689 /nfs/dbraw/zinc/33/96/89/676339689.db2.gz ZBXWWACLNNLFJF-GDBMZVCRSA-N 0 3 366.805 1.959 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361033431 676881948 /nfs/dbraw/zinc/88/19/48/676881948.db2.gz SKAQYAMVKLNWIY-ZIAGYGMSSA-N 0 3 353.806 1.770 20 5 FDBDHN COc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000364078177 676989937 /nfs/dbraw/zinc/98/99/37/676989937.db2.gz WRDFHMSFRWEJFB-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN C[C@@H](CO)N1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000364953980 677340510 /nfs/dbraw/zinc/34/05/10/677340510.db2.gz IUSDUYROOLMOMA-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000364958455 677340944 /nfs/dbraw/zinc/34/09/44/677340944.db2.gz ZKPRLPUZBHONGI-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377995290 678667594 /nfs/dbraw/zinc/66/75/94/678667594.db2.gz OQQDVWPZAVNUSN-ZFWWWQNUSA-N 0 3 352.387 1.466 20 5 FDBDHN O=C(CN[C@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412000017 679140671 /nfs/dbraw/zinc/14/06/71/679140671.db2.gz YGAKDISIGFWZEA-GXFFZTMASA-N 0 3 357.794 1.564 20 5 FDBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420435492 680449438 /nfs/dbraw/zinc/44/94/38/680449438.db2.gz HAJCXUPZNHUKKK-RQJHMYQMSA-N 0 3 352.210 1.371 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429782721 681047733 /nfs/dbraw/zinc/04/77/33/681047733.db2.gz GXVGWPXSZFUOQG-JQWIXIFHSA-N 0 3 354.794 1.691 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443080507 682229604 /nfs/dbraw/zinc/22/96/04/682229604.db2.gz UAYISCQJAUYJAN-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475093691 685558226 /nfs/dbraw/zinc/55/82/26/685558226.db2.gz HRZVNLQWINZFAR-STQMWFEESA-N 0 3 351.403 1.671 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475096353 685558580 /nfs/dbraw/zinc/55/85/80/685558580.db2.gz NDVRXWUYRPKALI-QWHCGFSZSA-N 0 3 351.403 1.671 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000451426072 682879015 /nfs/dbraw/zinc/87/90/15/682879015.db2.gz HZFCNNNYRQLGPO-HNNXBMFYSA-N 0 3 359.329 1.634 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472568879 685220640 /nfs/dbraw/zinc/22/06/40/685220640.db2.gz WBOZBFAGQTWKRP-NSHDSACASA-N 0 3 352.366 1.663 20 5 FDBDHN CSc1cccc(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000486945970 686945513 /nfs/dbraw/zinc/94/55/13/686945513.db2.gz ZAVNUGREDQGNFS-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000498515533 687801261 /nfs/dbraw/zinc/80/12/61/687801261.db2.gz UELDIBMXZXWEBU-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN COC(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000515234155 689831212 /nfs/dbraw/zinc/83/12/12/689831212.db2.gz CSXZIOVJPCXVJR-LBPRGKRZSA-N 0 3 366.395 1.972 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000523093422 694514120 /nfs/dbraw/zinc/51/41/20/694514120.db2.gz DSZAAMLUTXNJGW-UHFFFAOYSA-N 0 3 354.407 1.279 20 5 FDBDHN CCN1CCN(CCCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891807703 779521609 /nfs/dbraw/zinc/52/16/09/779521609.db2.gz PUVDMJSWTMKWBM-UHFFFAOYSA-N 0 3 373.457 1.886 20 5 FDBDHN C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1=CCN(C)CC1 ZINC000510739884 779791193 /nfs/dbraw/zinc/79/11/93/779791193.db2.gz FJLIYBATDFVUIO-GFCCVEGCSA-N 0 3 361.398 1.675 20 5 FDBDHN COc1c(O)ccc(CN2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000892159578 781897391 /nfs/dbraw/zinc/89/73/91/781897391.db2.gz QFBCNZZROAQDDW-CYBMUJFWSA-N 0 3 351.403 1.463 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892453846 784450944 /nfs/dbraw/zinc/45/09/44/784450944.db2.gz YWCZJBYSMOPGHM-UHFFFAOYSA-N 0 3 373.457 1.520 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000411429444 785266827 /nfs/dbraw/zinc/26/68/27/785266827.db2.gz MJGHAQMCEUBCLD-CYBMUJFWSA-N 0 3 360.414 1.917 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000411429448 785267142 /nfs/dbraw/zinc/26/71/42/785267142.db2.gz MJGHAQMCEUBCLD-ZDUSSCGKSA-N 0 3 360.414 1.917 20 5 FDBDHN COc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000782618836 785397777 /nfs/dbraw/zinc/39/77/77/785397777.db2.gz ADSHFKIMHPCUIQ-QWHCGFSZSA-N 0 3 350.375 1.588 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000467723423 805644748 /nfs/dbraw/zinc/64/47/48/805644748.db2.gz OQOMOIMODAZZFJ-DDTOSNHZSA-N 0 3 364.450 1.426 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000365816339 794520668 /nfs/dbraw/zinc/52/06/68/794520668.db2.gz NCRSZOGHDADAMN-ABAIWWIYSA-N 0 3 358.402 1.707 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000429798836 795790797 /nfs/dbraw/zinc/79/07/97/795790797.db2.gz AZXJHXHJTBEPOO-UHFFFAOYSA-N 0 3 366.418 1.588 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N1CCCNCC1 ZINC000419790418 812209581 /nfs/dbraw/zinc/20/95/81/812209581.db2.gz VFTUHXAJSLWHKA-UHFFFAOYSA-N 0 3 374.319 1.052 20 5 FDBDHN CC(C)c1nsc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983658580 818434842 /nfs/dbraw/zinc/43/48/42/818434842.db2.gz YEJDTXQFDHDZNH-DDHJBXDOSA-N 0 3 353.448 1.311 20 5 FDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1 ZINC000426899195 818600756 /nfs/dbraw/zinc/60/07/56/818600756.db2.gz YZBVTXYRCMYHAI-ZDUSSCGKSA-N 0 3 359.386 1.803 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000895065130 819840365 /nfs/dbraw/zinc/84/03/65/819840365.db2.gz DGRVWBYUULENCW-RRQGHBQHSA-N 0 3 362.430 1.896 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000729497397 819861946 /nfs/dbraw/zinc/86/19/46/819861946.db2.gz NOOXVPHFCUTRON-KBPBESRZSA-N 0 3 364.402 1.266 20 5 FDBDHN Cc1cc(N[C@H](C)[C@H]2CN(C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895248168 822222419 /nfs/dbraw/zinc/22/24/19/822222419.db2.gz JDXQYQXCYVDBHP-RHSMWYFYSA-N 0 3 370.457 1.828 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446193518 828433333 /nfs/dbraw/zinc/43/33/33/828433333.db2.gz VFDGLVIKGKYFKH-IIDMSEBBSA-N 0 3 362.430 1.655 20 5 FDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(O)(COCCO)CC1 ZINC000895830356 822762694 /nfs/dbraw/zinc/76/26/94/822762694.db2.gz VOLWDMOAMPMCEN-RVDMUPIBSA-N 0 3 350.415 1.834 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220394 827180898 /nfs/dbraw/zinc/18/08/98/827180898.db2.gz AMJGCBOVAZFQQD-GJZGRUSLSA-N 0 3 363.414 1.725 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)C1CC1 ZINC000840881282 827709954 /nfs/dbraw/zinc/70/99/54/827709954.db2.gz HWGCPAOZIIPTNO-NSHDSACASA-N 0 3 355.416 1.479 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000448973497 829318518 /nfs/dbraw/zinc/31/85/18/829318518.db2.gz BSUGIVZAMHWFEI-LBPRGKRZSA-N 0 3 368.409 1.498 20 5 FDBDHN O=C(N[C@H]1C[C@@](CNCc2cnon2)(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001105423169 829368957 /nfs/dbraw/zinc/36/89/57/829368957.db2.gz HAYFTAMASNGBSR-IIVZCXTMSA-N 0 3 371.397 1.041 20 5 FDBDHN O=C(N[C@H]1C[C@@](CNCc2ccon2)(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001105423173 829377035 /nfs/dbraw/zinc/37/70/35/829377035.db2.gz HLMZRIZWKJADAA-MTNOOBJLSA-N 0 3 370.409 1.646 20 5 FDBDHN COc1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449705803 829631017 /nfs/dbraw/zinc/63/10/17/829631017.db2.gz ZGTHNZWJVVZKBY-OAHLLOKOSA-N 0 3 362.430 1.390 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CCN1 ZINC000450892778 830169577 /nfs/dbraw/zinc/16/95/77/830169577.db2.gz PVMYBHQYIDKRFT-CQSZACIVSA-N 0 3 369.425 1.934 20 5 FDBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451503328 830376605 /nfs/dbraw/zinc/37/66/05/830376605.db2.gz ILIFOIGVRAZPGI-FWGMWULZSA-N 0 3 365.386 1.911 20 5 FDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000452383562 830629618 /nfs/dbraw/zinc/62/96/18/830629618.db2.gz OWWAWJVGYPOZBF-ZDUSSCGKSA-N 0 3 358.398 1.720 20 5 FDBDHN CCc1cnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001029964487 831933198 /nfs/dbraw/zinc/93/31/98/831933198.db2.gz LKNJERCCFIVPNM-HUUCEWRRSA-N 0 3 350.419 1.573 20 5 FDBDHN CN(Cc1coc(C2CC2)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964786 831938435 /nfs/dbraw/zinc/93/84/35/831938435.db2.gz ZNCZBBAKIBAFPM-HZPDHXFCSA-N 0 3 362.430 1.888 20 5 FDBDHN C[C@]12CSC[C@H]1CN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000899255253 845987109 /nfs/dbraw/zinc/98/71/09/845987109.db2.gz MLLOHHAVFYZEBV-ZLENFMNRSA-N 0 3 361.423 1.912 20 5 FDBDHN CC(C)(C)OC(=O)N1CCCN(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842339205 846770997 /nfs/dbraw/zinc/77/09/97/846770997.db2.gz BJPCTVGTORYCFH-CHWSQXEVSA-N 0 3 357.407 1.138 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000899923569 846879132 /nfs/dbraw/zinc/87/91/32/846879132.db2.gz INPVMEAEUNNANL-JKSUJKDBSA-N 0 3 370.413 1.543 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906972906 853602928 /nfs/dbraw/zinc/60/29/28/853602928.db2.gz QFOAWWFEESPVTI-RISCZKNCSA-N 0 3 361.398 1.969 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486274471 854122868 /nfs/dbraw/zinc/12/28/68/854122868.db2.gz LXGQJDGYJUXRPK-UHFFFAOYSA-N 0 3 370.400 1.511 20 5 FDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1F ZINC000907553602 854352640 /nfs/dbraw/zinc/35/26/40/854352640.db2.gz FIMCPFZWENDPAR-ABAIWWIYSA-N 0 3 357.407 1.615 20 5 FDBDHN CCOc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911936533 859162945 /nfs/dbraw/zinc/16/29/45/859162945.db2.gz BNDYDDJEKAESCZ-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000912608419 859951751 /nfs/dbraw/zinc/95/17/51/859951751.db2.gz VBSSJPXBBNPDMD-UHFFFAOYSA-N 0 3 360.208 1.353 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000842484054 864194640 /nfs/dbraw/zinc/19/46/40/864194640.db2.gz WRVKLJFDSJKFPC-MRVPVSSYSA-N 0 3 357.766 1.817 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000457105491 867284268 /nfs/dbraw/zinc/28/42/68/867284268.db2.gz CNUROFKSYSQKFI-HNNXBMFYSA-N 0 3 358.402 1.730 20 5 FDBDHN Cc1ccc(NCCCNC(=O)NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000460267094 868549418 /nfs/dbraw/zinc/54/94/18/868549418.db2.gz DNRTULSLEBHCPX-QGZVFWFLSA-N 0 3 365.434 1.071 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)c2ccccc2F)cc1 ZINC000914573108 874269374 /nfs/dbraw/zinc/26/93/74/874269374.db2.gz AROSGNGHXCCPMB-IKGGRYGDSA-N 0 3 350.346 1.451 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272590915 877991900 /nfs/dbraw/zinc/99/19/00/877991900.db2.gz HUQVZYPJPPTQNV-WBMJQRKESA-N 0 3 356.386 1.342 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272688901 879086860 /nfs/dbraw/zinc/08/68/60/879086860.db2.gz WSSRHNMKQYWOIB-CJNGLKHVSA-N 0 3 370.413 1.650 20 5 FDBDHN CN1C[C@@]2(C)CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918352367 884354444 /nfs/dbraw/zinc/35/44/44/884354444.db2.gz SSZRFWLUFCOUOF-HOTGVXAUSA-N 0 3 353.444 1.698 20 5 FDBDHN COc1cncc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001034815983 885145243 /nfs/dbraw/zinc/14/52/43/885145243.db2.gz HZWKGLDIJQESRK-HZPDHXFCSA-N 0 3 371.397 1.056 20 5 FDBDHN C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000498736366 885667120 /nfs/dbraw/zinc/66/71/20/885667120.db2.gz KVJKAJPLTODXRN-QWHCGFSZSA-N 0 3 364.402 1.345 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000272937878 907985796 /nfs/dbraw/zinc/98/57/96/907985796.db2.gz OPWVQKBZTSFFCH-UHFFFAOYSA-N 0 3 364.402 1.534 20 5 FDBDHN CN1CCN(CCCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000746233665 927683023 /nfs/dbraw/zinc/68/30/23/927683023.db2.gz ZFHPVMSCRQQFMC-UHFFFAOYSA-N 0 3 368.409 1.257 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012249 928222348 /nfs/dbraw/zinc/22/23/48/928222348.db2.gz OUGMPOHLLNNOHR-BZUAXINKSA-N 0 3 368.478 1.669 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000785803618 931627094 /nfs/dbraw/zinc/62/70/94/931627094.db2.gz XRYLZNAYFBGFCZ-STQMWFEESA-N 0 3 366.374 1.579 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000788960991 932890450 /nfs/dbraw/zinc/89/04/50/932890450.db2.gz OVQQYGPGYHJPSV-ZDUSSCGKSA-N 0 3 350.327 1.563 20 5 FDBDHN CC(COC(=O)c1ccc(Br)cc1-n1cncn1)[N+](=O)[O-] ZINC000813102098 941325873 /nfs/dbraw/zinc/32/58/73/941325873.db2.gz BBLKHYXWTNSMOW-MRVPVSSYSA-N 0 3 355.148 1.852 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813109352 941334612 /nfs/dbraw/zinc/33/46/12/941334612.db2.gz JACXWGOESDDGLI-NWDGAFQWSA-N 0 3 374.390 1.435 20 5 FDBDHN CC(COC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[N+](=O)[O-] ZINC000813112147 941335718 /nfs/dbraw/zinc/33/57/18/941335718.db2.gz CLIDEJFNQNEJSB-CQSZACIVSA-N 0 3 364.398 1.903 20 5 FDBDHN CC1(C)CCN(CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001135000781 941843733 /nfs/dbraw/zinc/84/37/33/941843733.db2.gz MQFPHVFZERJGNK-INIZCTEOSA-N 0 3 360.414 1.936 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C[C@H]1CCCN1C ZINC000817131716 942566424 /nfs/dbraw/zinc/56/64/24/942566424.db2.gz MBPSUVHVNALAAZ-SNVBAGLBSA-N 0 3 352.347 1.820 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(N3CCOCC3)nc2)cc1 ZINC000818944593 943355792 /nfs/dbraw/zinc/35/57/92/943355792.db2.gz NBBVJWASENMHNJ-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN CS(=O)(=O)Cc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818991091 943375341 /nfs/dbraw/zinc/37/53/41/943375341.db2.gz VWHRURJKZPUHAQ-KRWDZBQOSA-N 0 3 364.423 1.963 20 5 FDBDHN CN1CCCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC000822189145 944897679 /nfs/dbraw/zinc/89/76/79/944897679.db2.gz OEENKQJUXXWSPS-UHFFFAOYSA-N 0 3 368.340 1.197 20 5 FDBDHN CN1CCC[C@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C1 ZINC000823133443 945514033 /nfs/dbraw/zinc/51/40/33/945514033.db2.gz PWIMMJUSRGUHHQ-JTQLQIEISA-N 0 3 368.340 1.244 20 5 FDBDHN CN(C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000823980062 946136888 /nfs/dbraw/zinc/13/68/88/946136888.db2.gz VXTWGWLLVIHVPV-ROUUACIJSA-N 0 3 357.410 1.917 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825370700 947199371 /nfs/dbraw/zinc/19/93/71/947199371.db2.gz PGBHBBMAOHUYKH-HNNXBMFYSA-N 0 3 364.377 1.288 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000843856772 947340792 /nfs/dbraw/zinc/34/07/92/947340792.db2.gz PXHIVTSLJQIWLF-GFCCVEGCSA-N 0 3 352.410 1.798 20 5 FDBDHN CCNS(=O)(=O)CCN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000772974894 952136141 /nfs/dbraw/zinc/13/61/41/952136141.db2.gz BOEKHJAODHROBP-GFCCVEGCSA-N 0 3 361.489 1.994 20 5 FDBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1OC ZINC001197104630 972098675 /nfs/dbraw/zinc/09/86/75/972098675.db2.gz JDUPAUBIDSZFDR-DZGCQCFKSA-N 0 3 364.402 1.910 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3CCNC(=O)[C@@H]3C2)c1F ZINC001173194771 961959792 /nfs/dbraw/zinc/95/97/92/961959792.db2.gz ACRDCMAJXAGWSM-NTZNESFSSA-N 0 3 351.378 1.741 20 5 FDBDHN CC(C)(O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774639190 963069790 /nfs/dbraw/zinc/06/97/90/963069790.db2.gz UHPDWPUIRIUSOU-UHFFFAOYSA-N 0 3 367.837 1.944 20 5 FDBDHN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001176203095 963389158 /nfs/dbraw/zinc/38/91/58/963389158.db2.gz VPNGKTPMQURRON-KGLIPLIRSA-N 0 3 351.403 1.873 20 5 FDBDHN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001176203094 963389498 /nfs/dbraw/zinc/38/94/98/963389498.db2.gz VPNGKTPMQURRON-KBPBESRZSA-N 0 3 351.403 1.873 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(CC)CC1(C)C ZINC001178861018 964535030 /nfs/dbraw/zinc/53/50/30/964535030.db2.gz QETIDBMXRLACNR-QWHCGFSZSA-N 0 3 366.466 1.674 20 5 FDBDHN O=C(CN[C@H]1C[C@@H](O)C12CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852584824 967446429 /nfs/dbraw/zinc/44/64/29/967446429.db2.gz RUURGJDBVZEZSK-DLBZAZTESA-N 0 3 374.441 1.137 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CNCCO3)CC2)c(C(F)(F)F)c1 ZINC000852744868 967574727 /nfs/dbraw/zinc/57/47/27/967574727.db2.gz KBFKEFPVIYEIOT-CYBMUJFWSA-N 0 3 374.363 1.724 20 5 FDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000853153038 967867044 /nfs/dbraw/zinc/86/70/44/967867044.db2.gz BERHRTCNXGNLLW-UHFFFAOYSA-N 0 3 361.446 1.536 20 5 FDBDHN CCC1(N2CCOCC2)CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000863327930 972811426 /nfs/dbraw/zinc/81/14/26/972811426.db2.gz ZLLGJMVJKMQPGV-UHFFFAOYSA-N 0 3 351.451 1.942 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000867601707 976471865 /nfs/dbraw/zinc/47/18/65/976471865.db2.gz XYAKTDDRPXHDEO-HNNXBMFYSA-N 0 3 362.430 1.461 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000885890949 985760522 /nfs/dbraw/zinc/76/05/22/985760522.db2.gz MOOPWUAURCZXFG-OAHLLOKOSA-N 0 3 351.378 1.646 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000872781486 988050516 /nfs/dbraw/zinc/05/05/16/988050516.db2.gz ULIAXLVPECCINS-HZPDHXFCSA-N 0 3 374.441 1.740 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000360733575 988132293 /nfs/dbraw/zinc/13/22/93/988132293.db2.gz LVZNIAYHQXCJBE-MRXNPFEDSA-N 0 3 372.425 1.988 20 5 FDBDHN C[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)C1 ZINC000295184079 988626756 /nfs/dbraw/zinc/62/67/56/988626756.db2.gz JNLVHJJJGXMKDL-OLZOCXBDSA-N 0 3 373.413 1.512 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000363209035 988995306 /nfs/dbraw/zinc/99/53/06/988995306.db2.gz IKISGLQWLHIQGL-HNNXBMFYSA-N 0 3 364.377 1.288 20 5 FDBDHN CCOC(=O)c1ccnc(N2CCCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000363655660 989371609 /nfs/dbraw/zinc/37/16/09/989371609.db2.gz GHFLMNANFQCMBW-UHFFFAOYSA-N 0 3 366.418 1.715 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000364465987 989577327 /nfs/dbraw/zinc/57/73/27/989577327.db2.gz FXPWUAFEPFQUQU-NEPJUHHUSA-N 0 3 365.386 1.205 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ccc([N+](=O)[O-])cn1 ZINC000370307924 989646176 /nfs/dbraw/zinc/64/61/76/989646176.db2.gz KKUOHEHKJAFBKQ-UHFFFAOYSA-N 0 3 359.434 1.786 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370505075 989793824 /nfs/dbraw/zinc/79/38/24/989793824.db2.gz PKAGLUJJXTXDAR-CYBMUJFWSA-N 0 3 359.386 1.456 20 5 FDBDHN CCOC(=O)c1ccnc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000371128852 990267610 /nfs/dbraw/zinc/26/76/10/990267610.db2.gz JAUIOFICCMTKDA-CYBMUJFWSA-N 0 3 364.402 1.832 20 5 FDBDHN CCCCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000298803593 990289784 /nfs/dbraw/zinc/28/97/84/990289784.db2.gz FAMWLQUWDFHLIX-UHFFFAOYSA-N 0 3 366.418 1.910 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000365582042 990304376 /nfs/dbraw/zinc/30/43/76/990304376.db2.gz UJAYQVWFLTXTMG-CVEARBPZSA-N 0 3 371.397 1.374 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371350595 990373350 /nfs/dbraw/zinc/37/33/50/990373350.db2.gz AKOHQLAVXGXPPP-BBRMVZONSA-N 0 3 364.421 1.832 20 5 FDBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000371458774 990446813 /nfs/dbraw/zinc/44/68/13/990446813.db2.gz MBMCKWCEYGTKTO-JQHSSLGASA-N 0 3 360.414 1.950 20 5 FDBDHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000371613498 990570593 /nfs/dbraw/zinc/57/05/93/990570593.db2.gz IDGLNRKNTNHJRJ-ZFWWWQNUSA-N 0 3 370.413 1.970 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000874847932 990576796 /nfs/dbraw/zinc/57/67/96/990576796.db2.gz QQROIBAFFXODEN-ROUUACIJSA-N 0 3 374.441 1.740 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000876471599 992630656 /nfs/dbraw/zinc/63/06/56/992630656.db2.gz DLTDBEDTFVHAHH-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000876473687 992641731 /nfs/dbraw/zinc/64/17/31/992641731.db2.gz RNUYXMGJMLKTGB-GOSISDBHSA-N 0 3 365.430 1.333 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000876473688 992642053 /nfs/dbraw/zinc/64/20/53/992642053.db2.gz RNUYXMGJMLKTGB-SFHVURJKSA-N 0 3 365.430 1.333 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467041776 993257112 /nfs/dbraw/zinc/25/71/12/993257112.db2.gz XMTJUSFBNWPKBF-MQIPJXDCSA-N 0 3 360.414 1.312 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467715328 993359703 /nfs/dbraw/zinc/35/97/03/993359703.db2.gz MFYPRCVCIVDQMQ-SJCJKPOMSA-N 0 3 355.398 1.993 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000469984492 993924408 /nfs/dbraw/zinc/92/44/08/993924408.db2.gz VIHONDHWUINAML-KGLIPLIRSA-N 0 3 364.450 1.522 20 5 FDBDHN NC(=O)C1(N2CCCCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000880249987 995753440 /nfs/dbraw/zinc/75/34/40/995753440.db2.gz IMYYJSNIMLIGED-UHFFFAOYSA-N 0 3 352.460 1.962 20 5 FDBDHN O=C([N-]C[C@H]1C[NH2+]CCC1(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000887403954 997238924 /nfs/dbraw/zinc/23/89/24/997238924.db2.gz OPULOAVWYJQWQY-SECBINFHSA-N 0 3 365.283 1.927 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889764726 998619892 /nfs/dbraw/zinc/61/98/92/998619892.db2.gz XZPINRGNPMLFRR-CABCVRRESA-N 0 3 353.806 1.919 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889764728 998619988 /nfs/dbraw/zinc/61/99/88/998619988.db2.gz XZPINRGNPMLFRR-GJZGRUSLSA-N 0 3 353.806 1.919 20 5 FDBDHN CN(CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889768458 998627672 /nfs/dbraw/zinc/62/76/72/998627672.db2.gz NOAHMCPNEQVICS-JKSUJKDBSA-N 0 3 362.430 1.089 20 5 FDBDHN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246058 998940955 /nfs/dbraw/zinc/94/09/55/998940955.db2.gz RYLOUDBFZWRMLG-OCCSQVGLSA-N 0 3 351.403 1.973 20 5 FDBDHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246058 998940958 /nfs/dbraw/zinc/94/09/58/998940958.db2.gz RYLOUDBFZWRMLG-OCCSQVGLSA-N 0 3 351.403 1.973 20 5 FDBDHN CN(C)CCn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O ZINC000270307848 999537460 /nfs/dbraw/zinc/53/74/60/999537460.db2.gz ZKXVSCIHDYKQDT-UHFFFAOYSA-N 0 3 373.413 1.759 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)N(C)C1 ZINC000284891593 999879287 /nfs/dbraw/zinc/87/92/87/999879287.db2.gz RUANRPFWFRITQJ-HOTGVXAUSA-N 0 3 362.430 1.135 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285922283 999925766 /nfs/dbraw/zinc/92/57/66/999925766.db2.gz CLCOAYWJTOCUHU-UHFFFAOYSA-N 0 3 359.386 1.205 20 5 FDBDHN CN1CCN(CCCCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930206049 1002926969 /nfs/dbraw/zinc/92/69/69/1002926969.db2.gz YOBVVVVEPWKIJU-UHFFFAOYSA-N 0 3 366.437 1.810 20 5 FDBDHN O=C(CCN1CCN(CCCCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000931496834 1004215468 /nfs/dbraw/zinc/21/54/68/1004215468.db2.gz PQKNCVOCRVLRCX-UHFFFAOYSA-N 0 3 364.446 1.704 20 5 FDBDHN Cn1ccc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000932146918 1004793136 /nfs/dbraw/zinc/79/31/36/1004793136.db2.gz AJRBNBDUOUYVHH-INIZCTEOSA-N 0 3 360.414 1.948 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000932878357 1005226774 /nfs/dbraw/zinc/22/67/74/1005226774.db2.gz NBPXKAZSDOBCBS-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934260623 1005724207 /nfs/dbraw/zinc/72/42/07/1005724207.db2.gz BELURFKCHLUVKK-IAGOWNOFSA-N 0 3 374.441 1.015 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192137420 178095520 /nfs/dbraw/zinc/09/55/20/178095520.db2.gz DKYMBYMKBAHQEP-RCBQFDQVSA-N 0 3 368.340 1.550 20 5 FDBDHN C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000517023220 539341977 /nfs/dbraw/zinc/34/19/77/539341977.db2.gz URRJMJJXRSIXBH-LBPRGKRZSA-N 0 3 368.459 1.553 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccnc3ccccc32)cc1 ZINC000521362921 539516501 /nfs/dbraw/zinc/51/65/01/539516501.db2.gz YNJKLIVBKVZILP-UHFFFAOYSA-N 0 3 372.406 1.955 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000264163491 179038920 /nfs/dbraw/zinc/03/89/20/179038920.db2.gz TWXGCJBLXVKFHD-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000264283092 179068533 /nfs/dbraw/zinc/06/85/33/179068533.db2.gz PHOYWHGMRREQOR-UHFFFAOYSA-N 0 3 363.414 1.978 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264869330 179225970 /nfs/dbraw/zinc/22/59/70/179225970.db2.gz GMBVODXNNCILMQ-HNNXBMFYSA-N 0 3 364.446 1.363 20 5 FDBDHN CC[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000264976908 179257940 /nfs/dbraw/zinc/25/79/40/179257940.db2.gz QKHNJMHRTSOQQK-LBPRGKRZSA-N 0 3 356.448 1.919 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265401316 179366438 /nfs/dbraw/zinc/36/64/38/179366438.db2.gz TVLBPMMPAWKHJK-ZDUSSCGKSA-N 0 3 364.402 1.533 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000524417347 539645528 /nfs/dbraw/zinc/64/55/28/539645528.db2.gz BGWSQQHEAXCOHU-CQSZACIVSA-N 0 3 364.446 1.146 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000268157577 180011626 /nfs/dbraw/zinc/01/16/26/180011626.db2.gz HGZODDMAPKAAAG-ZBEGNZNMSA-N 0 3 370.413 1.696 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268186028 180019074 /nfs/dbraw/zinc/01/90/74/180019074.db2.gz UMNCHIXEIMWXQP-YGRLFVJLSA-N 0 3 354.432 1.398 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000268250419 180036001 /nfs/dbraw/zinc/03/60/01/180036001.db2.gz WWYARWYKSALMJX-YVEFUNNKSA-N 0 3 355.398 1.993 20 5 FDBDHN COC(=O)C[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000269664542 180354705 /nfs/dbraw/zinc/35/47/05/180354705.db2.gz PTWSNFLZPPNTIE-LBPRGKRZSA-N 0 3 365.386 1.960 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000270641596 180511751 /nfs/dbraw/zinc/51/17/51/180511751.db2.gz JJKREXXWRKWPPO-ZFWWWQNUSA-N 0 3 368.459 1.519 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274476684 181102921 /nfs/dbraw/zinc/10/29/21/181102921.db2.gz NQPAGKOOXOLIRU-CYBMUJFWSA-N 0 3 370.400 1.829 20 5 FDBDHN CCNC(=O)CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274790270 181166142 /nfs/dbraw/zinc/16/61/42/181166142.db2.gz BXEWTLDWEUQWPE-UHFFFAOYSA-N 0 3 360.418 1.509 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2n[nH]c(=O)cc2C1 ZINC000274953084 181204354 /nfs/dbraw/zinc/20/43/54/181204354.db2.gz HMKZSYZPAJGHTF-UHFFFAOYSA-N 0 3 357.370 1.373 20 5 FDBDHN Cn1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000534916948 540426481 /nfs/dbraw/zinc/42/64/81/540426481.db2.gz PTDKNDHLNPFKLG-HZPDHXFCSA-N 0 3 372.425 1.546 20 5 FDBDHN Cc1c(NC(=O)CCN(C)CCNC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000535824698 540516694 /nfs/dbraw/zinc/51/66/94/540516694.db2.gz RRKWUOLYMFFXLD-UHFFFAOYSA-N 0 3 351.407 1.435 20 5 FDBDHN COc1ccc(CC(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000535983304 540533245 /nfs/dbraw/zinc/53/32/45/540533245.db2.gz JWFOWNYZGHKHEU-UHFFFAOYSA-N 0 3 374.397 1.508 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CS(=O)(=O)CCO1 ZINC000539051530 540920358 /nfs/dbraw/zinc/92/03/58/540920358.db2.gz LVFTWQFPJRMXHC-STQMWFEESA-N 0 3 374.484 1.869 20 5 FDBDHN CCN(C)CCNc1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000540288681 541042742 /nfs/dbraw/zinc/04/27/42/541042742.db2.gz FQKPXRDUOCCQGF-NSHDSACASA-N 0 3 352.391 1.250 20 5 FDBDHN Cc1nc([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000540861782 541103016 /nfs/dbraw/zinc/10/30/16/541103016.db2.gz SMGQHQHTGGIUJG-HIFRSBDPSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000540861782 541103018 /nfs/dbraw/zinc/10/30/18/541103018.db2.gz SMGQHQHTGGIUJG-HIFRSBDPSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1nnc([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000540861782 541103020 /nfs/dbraw/zinc/10/30/20/541103020.db2.gz SMGQHQHTGGIUJG-HIFRSBDPSA-N 0 3 361.402 1.641 20 5 FDBDHN C[C@@H]1COCCN1CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540802078 541098293 /nfs/dbraw/zinc/09/82/93/541098293.db2.gz CFXWQVCUMFMLAT-CQSZACIVSA-N 0 3 359.430 1.806 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)CCN(C)C ZINC000541525434 541224240 /nfs/dbraw/zinc/22/42/40/541224240.db2.gz ZGBDOAIFBJAADH-UHFFFAOYSA-N 0 3 367.450 1.238 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000541823840 541272781 /nfs/dbraw/zinc/27/27/81/541272781.db2.gz USVMRKSPHLVTEO-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000275684433 181386917 /nfs/dbraw/zinc/38/69/17/181386917.db2.gz LLKJKIUFGDTBCL-LBPRGKRZSA-N 0 3 364.402 1.342 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543994656 541698162 /nfs/dbraw/zinc/69/81/62/541698162.db2.gz BOKOUQGIUZFHRI-DGCLKSJQSA-N 0 3 355.416 1.479 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000282788803 182056893 /nfs/dbraw/zinc/05/68/93/182056893.db2.gz MZODGWCBKIMMFE-LLVKDONJSA-N 0 3 366.393 1.829 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000283282804 182148002 /nfs/dbraw/zinc/14/80/02/182148002.db2.gz FBXRIRQRELFPDK-UHFFFAOYSA-N 0 3 374.235 1.974 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286202755 183013111 /nfs/dbraw/zinc/01/31/11/183013111.db2.gz AQGFPSIAKZDTIT-INIZCTEOSA-N 0 3 368.384 1.611 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286260862 183025780 /nfs/dbraw/zinc/02/57/80/183025780.db2.gz GPNUBAZCTOGAQA-WCQYABFASA-N 0 3 354.432 1.305 20 5 FDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286632926 183115029 /nfs/dbraw/zinc/11/50/29/183115029.db2.gz AYOCBMPNAOVPMN-ZFWWWQNUSA-N 0 3 370.413 1.874 20 5 FDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286586598 183103563 /nfs/dbraw/zinc/10/35/63/183103563.db2.gz GBCIJXDYCNPKJD-CJNGLKHVSA-N 0 3 353.444 1.983 20 5 FDBDHN COC(=O)c1cc(C)nc(N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000287114969 183215738 /nfs/dbraw/zinc/21/57/38/183215738.db2.gz ZVVBVFORTFBAKO-GFCCVEGCSA-N 0 3 365.434 1.523 20 5 FDBDHN O=C([C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287306082 183258099 /nfs/dbraw/zinc/25/80/99/183258099.db2.gz JGVONXMJLDGTEU-HUUCEWRRSA-N 0 3 363.414 1.279 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(N3CCCC3)CCOCC2)n1 ZINC000287708354 183362970 /nfs/dbraw/zinc/36/29/70/183362970.db2.gz FJQYLUCQHGIWEJ-UHFFFAOYSA-N 0 3 364.402 1.833 20 5 FDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295400844 184067169 /nfs/dbraw/zinc/06/71/69/184067169.db2.gz INLONFGFLGZCER-GFCCVEGCSA-N 0 3 374.397 1.425 20 5 FDBDHN COCCN1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000295507508 184078741 /nfs/dbraw/zinc/07/87/41/184078741.db2.gz LDCMEAPKPJUVGM-UHFFFAOYSA-N 0 3 351.403 1.833 20 5 FDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296959007 184219322 /nfs/dbraw/zinc/21/93/22/184219322.db2.gz YFGBWHUJQBKHES-ZDUSSCGKSA-N 0 3 369.418 1.791 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297536616 184283798 /nfs/dbraw/zinc/28/37/98/184283798.db2.gz WJGGAJKZUCSSNR-UHFFFAOYSA-N 0 3 354.382 1.829 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000152892881 258263079 /nfs/dbraw/zinc/26/30/79/258263079.db2.gz HSVFZFCJVKQQDL-GDBMZVCRSA-N 0 3 353.444 1.841 20 5 FDBDHN Cc1csc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000173365301 258297164 /nfs/dbraw/zinc/29/71/64/258297164.db2.gz FIKWFISCOCNCGU-JSGCOSHPSA-N 0 3 351.432 1.797 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000067360802 172009154 /nfs/dbraw/zinc/00/91/54/172009154.db2.gz GIGYBPOPALHHLR-INIZCTEOSA-N 0 3 357.414 1.962 20 5 FDBDHN CCN1CCN(CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000074137561 172074443 /nfs/dbraw/zinc/07/44/43/172074443.db2.gz UPYUQWYVJHFHDJ-UHFFFAOYSA-N 0 3 364.446 1.508 20 5 FDBDHN CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000077125569 172121608 /nfs/dbraw/zinc/12/16/08/172121608.db2.gz WFUPOMPGHOEMBX-INIZCTEOSA-N 0 3 362.430 1.465 20 5 FDBDHN COc1ccc(CNC2CCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000084962041 172216755 /nfs/dbraw/zinc/21/67/55/172216755.db2.gz BOQJWDVLWJYJHV-UHFFFAOYSA-N 0 3 369.443 1.650 20 5 FDBDHN COc1cc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)ccc1O ZINC000089972085 172255871 /nfs/dbraw/zinc/25/58/71/172255871.db2.gz APOYPYNMLPANMK-HNNXBMFYSA-N 0 3 362.386 1.531 20 5 FDBDHN Cc1nn(C)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000090146603 172261215 /nfs/dbraw/zinc/26/12/15/172261215.db2.gz JENDFUDYJWGRRV-UHFFFAOYSA-N 0 3 358.402 1.678 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121875 172359992 /nfs/dbraw/zinc/35/99/92/172359992.db2.gz XHPVCRSFQBXQQF-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000103121177 172360017 /nfs/dbraw/zinc/36/00/17/172360017.db2.gz KNPZZWZQIIUVAW-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000104792993 172387177 /nfs/dbraw/zinc/38/71/77/172387177.db2.gz LUVFYMRDRUWHKJ-ZFWWWQNUSA-N 0 3 352.387 1.610 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000131859061 173215318 /nfs/dbraw/zinc/21/53/18/173215318.db2.gz APMZHGKJWUWDPX-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN CN(CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000132942529 173247919 /nfs/dbraw/zinc/24/79/19/173247919.db2.gz BKLIRMYDAQHTNI-UHFFFAOYSA-N 0 3 360.418 1.613 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000150734219 173379067 /nfs/dbraw/zinc/37/90/67/173379067.db2.gz UXQDAMCFJSGHIF-NSHDSACASA-N 0 3 352.347 1.201 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000161469902 173742676 /nfs/dbraw/zinc/74/26/76/173742676.db2.gz WWYNSQGFGIXGMO-ZDUSSCGKSA-N 0 3 365.839 1.148 20 5 FDBDHN Cc1cccc(NC(=O)[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176212179 174058442 /nfs/dbraw/zinc/05/84/42/174058442.db2.gz QVAORUFGZHKJSP-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177608320 174144586 /nfs/dbraw/zinc/14/45/86/174144586.db2.gz GGWXYMBJNPERJE-NVXWUHKLSA-N 0 3 368.434 1.202 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181348496 174219100 /nfs/dbraw/zinc/21/91/00/174219100.db2.gz SYQNPDUCRRZUOG-AWEZNQCLSA-N 0 3 362.430 1.598 20 5 FDBDHN Cc1cc(NCCOCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000181508372 174229638 /nfs/dbraw/zinc/22/96/38/174229638.db2.gz ULZCCRGILIMYSQ-UHFFFAOYSA-N 0 3 353.400 1.925 20 5 FDBDHN C[C@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180413334 258368241 /nfs/dbraw/zinc/36/82/41/258368241.db2.gz HHYZJIKFMOFDSR-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272549903 258446460 /nfs/dbraw/zinc/44/64/60/258446460.db2.gz RAFVQMRBNUNELI-OAHLLOKOSA-N 0 3 358.826 1.403 20 5 FDBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000193886909 258393908 /nfs/dbraw/zinc/39/39/08/258393908.db2.gz YUEYMQLJZGUXND-INIZCTEOSA-N 0 3 363.418 1.715 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000247277929 258397872 /nfs/dbraw/zinc/39/78/72/258397872.db2.gz FTYZXFJPQMIXBW-IPYPFGDCSA-N 0 3 362.430 1.654 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000264051329 258411001 /nfs/dbraw/zinc/41/10/01/258411001.db2.gz YLMYJLZHEWXLHW-UHFFFAOYSA-N 0 3 364.402 1.395 20 5 FDBDHN Nc1nccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000553208717 543587952 /nfs/dbraw/zinc/58/79/52/543587952.db2.gz YMADMMUWPZZBKI-UHFFFAOYSA-N 0 3 356.386 1.613 20 5 FDBDHN CN1CCC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000554784923 543871073 /nfs/dbraw/zinc/87/10/73/543871073.db2.gz QEJHUQKMQQYLFW-LLVKDONJSA-N 0 3 355.416 1.070 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCN(CC)CC2)c1 ZINC000555007193 543901450 /nfs/dbraw/zinc/90/14/50/543901450.db2.gz WHVGSYPQQAGGKG-CQSZACIVSA-N 0 3 364.446 1.749 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)[C@H]2C1 ZINC000555591456 543981827 /nfs/dbraw/zinc/98/18/27/543981827.db2.gz YSJGICPMHRJJRV-DLBZAZTESA-N 0 3 362.430 1.637 20 5 FDBDHN N[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000556112801 544098305 /nfs/dbraw/zinc/09/83/05/544098305.db2.gz VSQJYLFTGZMSLT-INIZCTEOSA-N 0 3 355.398 1.729 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCCN(C)C ZINC000558270058 544406228 /nfs/dbraw/zinc/40/62/28/544406228.db2.gz GUCWSKLSBFPPBD-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN1CCCCC1 ZINC000559264515 544619294 /nfs/dbraw/zinc/61/92/94/544619294.db2.gz UKXQPWYXWVAYLG-GFCCVEGCSA-N 0 3 366.393 1.454 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559465296 544697016 /nfs/dbraw/zinc/69/70/16/544697016.db2.gz LUYNGBAUOTWKAE-ZWKOTPCHSA-N 0 3 363.414 1.751 20 5 FDBDHN CC(C)(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299494342 259001833 /nfs/dbraw/zinc/00/18/33/259001833.db2.gz JGSIGBUEFRDWJC-UHFFFAOYSA-N 0 3 350.419 1.337 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000299730511 259020017 /nfs/dbraw/zinc/02/00/17/259020017.db2.gz WSQKSTGRWFIVGK-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN CCCN1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301290516 259025119 /nfs/dbraw/zinc/02/51/19/259025119.db2.gz PYZLAFZEHJUUJX-UHFFFAOYSA-N 0 3 356.448 1.425 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@@H](C)O1 ZINC000330432688 259144170 /nfs/dbraw/zinc/14/41/70/259144170.db2.gz OIWMXXPUWYULRQ-CHWSQXEVSA-N 0 3 350.419 1.884 20 5 FDBDHN Cc1nn(CCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000330534428 259149331 /nfs/dbraw/zinc/14/93/31/259149331.db2.gz DARHMAXWPKJBEI-ZDUSSCGKSA-N 0 3 351.451 1.987 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000330961800 259171410 /nfs/dbraw/zinc/17/14/10/259171410.db2.gz PEGZTTMFWXJYJI-BNOWGMLFSA-N 0 3 366.466 1.768 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000331422469 259194320 /nfs/dbraw/zinc/19/43/20/259194320.db2.gz KZYVLNFDVAYXFQ-ZDUSSCGKSA-N 0 3 371.463 1.308 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332109503 259242470 /nfs/dbraw/zinc/24/24/70/259242470.db2.gz GSRRMVOKJMORNZ-QWHCGFSZSA-N 0 3 350.423 1.134 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332277015 259254634 /nfs/dbraw/zinc/25/46/34/259254634.db2.gz JZZRIEADAPDCPP-HUUCEWRRSA-N 0 3 374.441 1.752 20 5 FDBDHN CCc1nc(CN2CCC[C@H](N(C)CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000364348302 259741637 /nfs/dbraw/zinc/74/16/37/259741637.db2.gz UBYAMKYEMMXOES-ZDUSSCGKSA-N 0 3 363.422 1.333 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000367241883 260014597 /nfs/dbraw/zinc/01/45/97/260014597.db2.gz UGBUOEZCDIQVFM-CHWSQXEVSA-N 0 3 365.434 1.290 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368595921 260207126 /nfs/dbraw/zinc/20/71/26/260207126.db2.gz UFPXYDYUFDXHDH-BLLLJJGKSA-N 0 3 356.386 1.342 20 5 FDBDHN Cc1noc(C)c1CO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000368848467 260247811 /nfs/dbraw/zinc/24/78/11/260247811.db2.gz XEFLZJPWFSOPGH-HUUCEWRRSA-N 0 3 365.390 1.048 20 5 FDBDHN C[C@@H](CO)N1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000368962681 260267750 /nfs/dbraw/zinc/26/77/50/260267750.db2.gz CHHFPYSNKAYRRY-ZDUSSCGKSA-N 0 3 361.402 1.533 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000372363899 260852653 /nfs/dbraw/zinc/85/26/53/260852653.db2.gz CRQZXOXFDYHNGN-BBRMVZONSA-N 0 3 364.421 1.832 20 5 FDBDHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374313750 261109100 /nfs/dbraw/zinc/10/91/00/261109100.db2.gz VAFHCODXYODTJF-STQMWFEESA-N 0 3 364.475 1.766 20 5 FDBDHN C[C@@H](CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C1CC1 ZINC000375376416 261326819 /nfs/dbraw/zinc/32/68/19/261326819.db2.gz BPLCSNFCNRVQKT-JSGCOSHPSA-N 0 3 350.423 1.621 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000409721877 262136954 /nfs/dbraw/zinc/13/69/54/262136954.db2.gz MMDYJXCYUGSEAK-HNNXBMFYSA-N 0 3 351.403 1.183 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000270641585 674242526 /nfs/dbraw/zinc/24/25/26/674242526.db2.gz JJKREXXWRKWPPO-DZGCQCFKSA-N 0 3 368.459 1.519 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000270659831 674246153 /nfs/dbraw/zinc/24/61/53/674246153.db2.gz OQFQJWVBDHGERK-GJZGRUSLSA-N 0 3 352.460 1.819 20 5 FDBDHN CCOC(=O)c1ccnc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000524104808 490517811 /nfs/dbraw/zinc/51/78/11/490517811.db2.gz ILKISENOTRRIJV-UHFFFAOYSA-N 0 3 352.391 1.425 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000027367053 519171206 /nfs/dbraw/zinc/17/12/06/519171206.db2.gz LPWHSQUWTXSKKT-UHFFFAOYSA-N 0 3 374.445 1.448 20 5 FDBDHN COc1ccc(NC(=O)CN2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000069083228 521798355 /nfs/dbraw/zinc/79/83/55/521798355.db2.gz IMVZJLRFUIYPPQ-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1ccc(CC(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069381258 521867148 /nfs/dbraw/zinc/86/71/48/521867148.db2.gz NLKYTDYPHFAGNO-UHFFFAOYSA-N 0 3 364.446 1.290 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047144426 522456982 /nfs/dbraw/zinc/45/69/82/522456982.db2.gz AAHOKPAIILMYRP-AWEZNQCLSA-N 0 3 362.430 1.705 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Br)cc2)c1 ZINC000048271394 522703603 /nfs/dbraw/zinc/70/36/03/522703603.db2.gz TUVDQWVLLMRURI-CYBMUJFWSA-N 0 3 355.192 1.705 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000055265251 523782581 /nfs/dbraw/zinc/78/25/81/523782581.db2.gz ZGJDYFRKIVNVHR-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000080082442 523829967 /nfs/dbraw/zinc/82/99/67/523829967.db2.gz CCXRRVNCKNWOQB-CQSZACIVSA-N 0 3 350.419 1.258 20 5 FDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCOCC2)CC1 ZINC000172455426 524224464 /nfs/dbraw/zinc/22/44/64/524224464.db2.gz YJMONPHQHLPFQB-UHFFFAOYSA-N 0 3 362.430 1.849 20 5 FDBDHN COc1cc(OCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157267081 524241968 /nfs/dbraw/zinc/24/19/68/524241968.db2.gz CJNJYJUQZFXDGB-UKRRQHHQSA-N 0 3 363.414 1.925 20 5 FDBDHN O=C1[C@@H](N2CCN(c3ccncc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000151327944 524555519 /nfs/dbraw/zinc/55/55/19/524555519.db2.gz GUTFAMJYSJGFJL-SFHVURJKSA-N 0 3 367.409 1.917 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000122695483 524594025 /nfs/dbraw/zinc/59/40/25/524594025.db2.gz DSCVWNHQGQVNCW-STQMWFEESA-N 0 3 358.402 1.730 20 5 FDBDHN CCN1CCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918181 524594396 /nfs/dbraw/zinc/59/43/96/524594396.db2.gz ADRZCRFSTNWGOQ-UHFFFAOYSA-N 0 3 352.460 1.441 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112922296 524596540 /nfs/dbraw/zinc/59/65/40/524596540.db2.gz LGBDQWJBAYZYEX-HNNXBMFYSA-N 0 3 363.462 1.397 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000159359722 524650632 /nfs/dbraw/zinc/65/06/32/524650632.db2.gz WJMIEYTXAJLFMU-MRXNPFEDSA-N 0 3 362.430 1.388 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000114379125 524778300 /nfs/dbraw/zinc/77/83/00/524778300.db2.gz UKVIPDURCXYOCH-ZDUSSCGKSA-N 0 3 350.419 1.217 20 5 FDBDHN CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000152100060 524778935 /nfs/dbraw/zinc/77/89/35/524778935.db2.gz BGWVFYKUKVOHIU-GFCCVEGCSA-N 0 3 356.448 1.741 20 5 FDBDHN COCCNCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000152232163 524820809 /nfs/dbraw/zinc/82/08/09/524820809.db2.gz BKMVMGBJBGRNER-AWEZNQCLSA-N 0 3 364.446 1.797 20 5 FDBDHN CC(C)(C(=O)NCC1CCN(c2ccncc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000093066263 524950622 /nfs/dbraw/zinc/95/06/22/524950622.db2.gz MHXONHRMHADKFG-UHFFFAOYSA-N 0 3 372.429 1.954 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000115439311 524995439 /nfs/dbraw/zinc/99/54/39/524995439.db2.gz JKQZDOWVFLOBNK-ZDUSSCGKSA-N 0 3 358.402 1.589 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000152965315 525060984 /nfs/dbraw/zinc/06/09/84/525060984.db2.gz GYUSWUMRIVZSCK-IWAYRVGRSA-N 0 3 372.425 1.373 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000161677059 525148884 /nfs/dbraw/zinc/14/88/84/525148884.db2.gz HDZCSGNGLSDEKM-CQSZACIVSA-N 0 3 371.459 1.274 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000161735810 525160038 /nfs/dbraw/zinc/16/00/38/525160038.db2.gz RDNIGMWKTXPAPW-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@@H]1CO ZINC000161735810 525160041 /nfs/dbraw/zinc/16/00/41/525160041.db2.gz RDNIGMWKTXPAPW-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN CN(C)CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1Cl ZINC000116815989 525226914 /nfs/dbraw/zinc/22/69/14/525226914.db2.gz HFECPAHZIJOLGR-UHFFFAOYSA-N 0 3 368.781 1.419 20 5 FDBDHN O=C([C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000153714960 525294472 /nfs/dbraw/zinc/29/44/72/525294472.db2.gz YPOCHUUANCESPB-RDJZCZTQSA-N 0 3 363.414 1.199 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C2 ZINC000164081348 525476134 /nfs/dbraw/zinc/47/61/34/525476134.db2.gz MFVNMPNWYOBUSD-LSDHHAIUSA-N 0 3 353.444 1.636 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1F ZINC000154274610 525479725 /nfs/dbraw/zinc/47/97/25/525479725.db2.gz UHPMKOORTCZCNF-NSHDSACASA-N 0 3 357.407 1.805 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154696338 525612946 /nfs/dbraw/zinc/61/29/46/525612946.db2.gz WXCRGSSEHXUPSI-CQSZACIVSA-N 0 3 371.441 1.899 20 5 FDBDHN CC(=O)c1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000119075266 525627805 /nfs/dbraw/zinc/62/78/05/525627805.db2.gz YLVCCVKJLUAWGS-UHFFFAOYSA-N 0 3 361.398 1.919 20 5 FDBDHN CN1CCC(Nc2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000170678377 525674771 /nfs/dbraw/zinc/67/47/71/525674771.db2.gz SJQFLYLDDAWHID-UHFFFAOYSA-N 0 3 358.402 1.936 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000129788263 525690363 /nfs/dbraw/zinc/69/03/63/525690363.db2.gz IWLISIBRBMCQSG-UHFFFAOYSA-N 0 3 362.411 1.642 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129952995 525707425 /nfs/dbraw/zinc/70/74/25/525707425.db2.gz AVEONMDRJRYKFU-OAHLLOKOSA-N 0 3 360.414 1.846 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000130013104 525715231 /nfs/dbraw/zinc/71/52/31/525715231.db2.gz QZBKCCRWFFOEFV-SMDDNHRTSA-N 0 3 364.431 1.447 20 5 FDBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCCC1 ZINC000155306931 525817150 /nfs/dbraw/zinc/81/71/50/525817150.db2.gz VLXISJFGLSVCDQ-HNNXBMFYSA-N 0 3 367.450 1.217 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119958303 525919497 /nfs/dbraw/zinc/91/94/97/525919497.db2.gz PDGNBQLKBLIRGT-HNNXBMFYSA-N 0 3 372.429 1.850 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000108303148 525949403 /nfs/dbraw/zinc/94/94/03/525949403.db2.gz UCOCWASQPLPMAE-CQSZACIVSA-N 0 3 370.413 1.698 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000171341546 525957230 /nfs/dbraw/zinc/95/72/30/525957230.db2.gz SFJDBPGDWGQZBC-UHFFFAOYSA-N 0 3 352.416 1.037 20 5 FDBDHN CN(C)C[C@@](C)(O)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000133006400 526012537 /nfs/dbraw/zinc/01/25/37/526012537.db2.gz BVRZFNVQJWKSSU-KRWDZBQOSA-N 0 3 361.402 1.284 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000171881066 526164789 /nfs/dbraw/zinc/16/47/89/526164789.db2.gz BBSJTFPONMMIMU-UHFFFAOYSA-N 0 3 361.446 1.489 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000109717093 526169030 /nfs/dbraw/zinc/16/90/30/526169030.db2.gz GWQAOIBQRTUREP-HOCLYGCPSA-N 0 3 370.409 1.708 20 5 FDBDHN Cc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000120878128 526208998 /nfs/dbraw/zinc/20/89/98/526208998.db2.gz ZCIQEPGPKDERNA-OAHLLOKOSA-N 0 3 360.414 1.458 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000186098339 536225349 /nfs/dbraw/zinc/22/53/49/536225349.db2.gz ZZHFLCTUHSGIKJ-HNNXBMFYSA-N 0 3 363.462 1.762 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)[C@H](C)C1 ZINC000187697082 536271991 /nfs/dbraw/zinc/27/19/91/536271991.db2.gz VLFDSAILNMUMCA-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN O=C(C[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000246426509 536950220 /nfs/dbraw/zinc/95/02/20/536950220.db2.gz CWHPLSPCLIPGSW-TZMCWYRMSA-N 0 3 364.427 1.951 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246501565 536967322 /nfs/dbraw/zinc/96/73/22/536967322.db2.gz XSPYBGOCUXTRCK-DGCLKSJQSA-N 0 3 357.432 1.564 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189118256 537000786 /nfs/dbraw/zinc/00/07/86/537000786.db2.gz NIIQRVFZFOMIPO-AWEZNQCLSA-N 0 3 370.475 1.040 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246744344 537016913 /nfs/dbraw/zinc/01/69/13/537016913.db2.gz PSQYKKZFUHARBS-GDBMZVCRSA-N 0 3 353.444 1.841 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000263664937 537057522 /nfs/dbraw/zinc/05/75/22/537057522.db2.gz FIBGVAKHCWIJGW-LLVKDONJSA-N 0 3 366.447 1.659 20 5 FDBDHN Cc1cccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263676707 537062246 /nfs/dbraw/zinc/06/22/46/537062246.db2.gz GCSCJWVKJPBXCB-HNNXBMFYSA-N 0 3 362.430 1.576 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000247204949 537094172 /nfs/dbraw/zinc/09/41/72/537094172.db2.gz WNXNKUDABICJTG-BXUZGUMPSA-N 0 3 357.407 1.839 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247409203 537117222 /nfs/dbraw/zinc/11/72/22/537117222.db2.gz PZGKXWJKSFFADJ-WWGRRREGSA-N 0 3 360.414 1.408 20 5 FDBDHN Nc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000265796053 537173497 /nfs/dbraw/zinc/17/34/97/537173497.db2.gz PJCBSTYFDMRZGT-KGLIPLIRSA-N 0 3 358.402 1.262 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248436107 537182002 /nfs/dbraw/zinc/18/20/02/537182002.db2.gz ANLHDLFONZTCHA-RKVPGOIHSA-N 0 3 350.415 1.962 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000191949934 537215772 /nfs/dbraw/zinc/21/57/72/537215772.db2.gz PIEAZLMXHBFPBQ-UHFFFAOYSA-N 0 3 361.402 1.541 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCN(c3ccccn3)CC2)c1 ZINC000248870055 537217681 /nfs/dbraw/zinc/21/76/81/537217681.db2.gz JMROQTWQZNDBBM-QGZVFWFLSA-N 0 3 372.425 1.942 20 5 FDBDHN COc1cc(CNCCCOCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272773067 537335704 /nfs/dbraw/zinc/33/57/04/537335704.db2.gz DJLUYYZNNHRWCJ-UHFFFAOYSA-N 0 3 364.345 1.736 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270812347 537381995 /nfs/dbraw/zinc/38/19/95/537381995.db2.gz PNHBKZHJORITCP-UHFFFAOYSA-N 0 3 359.430 1.965 20 5 FDBDHN CC(C)(CO)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000293236086 537396081 /nfs/dbraw/zinc/39/60/81/537396081.db2.gz YQVWDTMOPPLROH-INIZCTEOSA-N 0 3 365.386 1.649 20 5 FDBDHN CS[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273170874 537404519 /nfs/dbraw/zinc/40/45/19/537404519.db2.gz OTDCZUXIZDAKDS-XNRPHZJLSA-N 0 3 355.460 1.312 20 5 FDBDHN CCOCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000276307585 537409935 /nfs/dbraw/zinc/40/99/35/537409935.db2.gz WSXYMQOZXFTKLY-UHFFFAOYSA-N 0 3 369.418 1.917 20 5 FDBDHN CCCCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000299057684 537423254 /nfs/dbraw/zinc/42/32/54/537423254.db2.gz SJLAOPNVTRCTBK-UHFFFAOYSA-N 0 3 366.418 1.910 20 5 FDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000293439965 537461740 /nfs/dbraw/zinc/46/17/40/537461740.db2.gz VAIQNVCVCVQNCT-ROUUACIJSA-N 0 3 360.410 1.870 20 5 FDBDHN CN(C)CC1(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000281151767 537505231 /nfs/dbraw/zinc/50/52/31/537505231.db2.gz WAMNWSWWDLVRDV-UHFFFAOYSA-N 0 3 366.443 1.386 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000291264246 537553176 /nfs/dbraw/zinc/55/31/76/537553176.db2.gz KURZSCQBSWBHKW-GFCCVEGCSA-N 0 3 360.414 1.862 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000289887545 537618460 /nfs/dbraw/zinc/61/84/60/537618460.db2.gz OWSUGSYLRNRFIT-DTORHVGOSA-N 0 3 363.798 1.569 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000285404492 537703565 /nfs/dbraw/zinc/70/35/65/537703565.db2.gz UHEICSNALMELHG-BBRMVZONSA-N 0 3 353.444 1.983 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1OCCc2sccc21 ZINC000292418667 537734727 /nfs/dbraw/zinc/73/47/27/537734727.db2.gz MPHAPZNFFCNEPE-ITDIGPHOSA-N 0 3 352.416 1.506 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@H](C)O1 ZINC000285686959 537746219 /nfs/dbraw/zinc/74/62/19/537746219.db2.gz QVQSOJYZSGWKFW-TXEJJXNPSA-N 0 3 351.407 1.279 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCCCNC1=O ZINC000377576225 537981192 /nfs/dbraw/zinc/98/11/92/537981192.db2.gz AVMVIGUHBMUMEM-CQSZACIVSA-N 0 3 364.402 1.533 20 5 FDBDHN CCOC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000451139599 538196297 /nfs/dbraw/zinc/19/62/97/538196297.db2.gz SFKUURFOBUUVBN-HNNXBMFYSA-N 0 3 350.371 1.485 20 5 FDBDHN CCCC[C@@H](CN)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420136354 538235136 /nfs/dbraw/zinc/23/51/36/538235136.db2.gz CVPREWCBNAXVRS-AWEZNQCLSA-N 0 3 362.430 1.720 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433760101 538270047 /nfs/dbraw/zinc/27/00/47/538270047.db2.gz ZNENNZRTNQWJPJ-LBPRGKRZSA-N 0 3 352.439 1.197 20 5 FDBDHN COc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000446382212 538293441 /nfs/dbraw/zinc/29/34/41/538293441.db2.gz ALKFVGOBHZSTGE-HNJNHCNJSA-N 0 3 363.414 1.752 20 5 FDBDHN COC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000446929955 538333007 /nfs/dbraw/zinc/33/30/07/538333007.db2.gz SVGHITITRJBEQT-CQSZACIVSA-N 0 3 371.459 1.668 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452061764 538359518 /nfs/dbraw/zinc/35/95/18/538359518.db2.gz PZRFSVVJHAMXOB-UKRRQHHQSA-N 0 3 366.443 1.707 20 5 FDBDHN C[C@@H](C(=O)NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452369450 538384273 /nfs/dbraw/zinc/38/42/73/538384273.db2.gz DSWRCBYUKSKXTO-OCCSQVGLSA-N 0 3 353.394 1.800 20 5 FDBDHN CN(C)CCOCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471644792 538529182 /nfs/dbraw/zinc/52/91/82/538529182.db2.gz CWBUKCBLHUOYPT-UHFFFAOYSA-N 0 3 358.826 1.668 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000481811593 538572858 /nfs/dbraw/zinc/57/28/58/538572858.db2.gz KCZZLIXQTGJVFB-UHFFFAOYSA-N 0 3 359.386 1.537 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000469859583 538817446 /nfs/dbraw/zinc/81/74/46/538817446.db2.gz PFEQRFGHCLFCMF-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498320854 538822886 /nfs/dbraw/zinc/82/28/86/538822886.db2.gz CIQUFBXGCDQDJO-UHFFFAOYSA-N 0 3 351.403 1.543 20 5 FDBDHN CCOC[C@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000474705039 538845657 /nfs/dbraw/zinc/84/56/57/538845657.db2.gz BTZOMTNNYXEIKW-ZIAGYGMSSA-N 0 3 371.459 1.668 20 5 FDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000561012822 545653511 /nfs/dbraw/zinc/65/35/11/545653511.db2.gz PTXCPCNGULGTST-LBPRGKRZSA-N 0 3 350.419 1.366 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000561792608 545954261 /nfs/dbraw/zinc/95/42/61/545954261.db2.gz GZBGJKAMKZMTLC-HRCADAONSA-N 0 3 360.414 1.430 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000562300113 546083104 /nfs/dbraw/zinc/08/31/04/546083104.db2.gz FCKILSLWLIVCEP-GFCCVEGCSA-N 0 3 374.397 1.320 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cn3cccn3)cc2)c1 ZINC000562450012 546144264 /nfs/dbraw/zinc/14/42/64/546144264.db2.gz QPFVMNIYHUNAOD-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN C[C@@H]1OCC[C@]1(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000562503575 546160283 /nfs/dbraw/zinc/16/02/83/546160283.db2.gz RRXUQRRQABESIW-YJBOKZPZSA-N 0 3 360.414 1.833 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000564305522 546874393 /nfs/dbraw/zinc/87/43/93/546874393.db2.gz WDHDUXJCWPTVML-SFHVURJKSA-N 0 3 363.414 1.245 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000565348146 547314023 /nfs/dbraw/zinc/31/40/23/547314023.db2.gz BXUGGFAPNIPFMN-AWEZNQCLSA-N 0 3 351.451 1.791 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000565787560 547482526 /nfs/dbraw/zinc/48/25/26/547482526.db2.gz IMTHUYLGNKHPCQ-UHFFFAOYSA-N 0 3 374.235 1.974 20 5 FDBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000565891731 547522637 /nfs/dbraw/zinc/52/26/37/547522637.db2.gz CBFMOSCYGOIHFR-WDEREUQCSA-N 0 3 371.415 1.162 20 5 FDBDHN O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[C@H](N2CCCC2)C1 ZINC000565937671 547538077 /nfs/dbraw/zinc/53/80/77/547538077.db2.gz INLLNPPNPTWDRC-HNNXBMFYSA-N 0 3 372.425 1.176 20 5 FDBDHN CC(C)(C)N1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000566111034 547608721 /nfs/dbraw/zinc/60/87/21/547608721.db2.gz WOBYFOKMFOGGGL-OLZOCXBDSA-N 0 3 351.403 1.324 20 5 FDBDHN CN(C)Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000566118235 547612265 /nfs/dbraw/zinc/61/22/65/547612265.db2.gz YMGJQLMVDDPWBO-OAHLLOKOSA-N 0 3 351.382 1.143 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000568880489 548718286 /nfs/dbraw/zinc/71/82/86/548718286.db2.gz KYGRJOYUARIWIY-TZMCWYRMSA-N 0 3 355.398 1.965 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000569255431 548853140 /nfs/dbraw/zinc/85/31/40/548853140.db2.gz RTJSCRWIGKBHKB-NSHDSACASA-N 0 3 355.391 1.309 20 5 FDBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569359842 548890679 /nfs/dbraw/zinc/89/06/79/548890679.db2.gz UKDPVHPSZSJJEW-UHFFFAOYSA-N 0 3 373.398 1.590 20 5 FDBDHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627962 549712123 /nfs/dbraw/zinc/71/21/23/549712123.db2.gz LWXPYXMXWAZLSS-RDJZCZTQSA-N 0 3 374.441 1.463 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000571846182 549779517 /nfs/dbraw/zinc/77/95/17/549779517.db2.gz PJIMFRIFNRPUKA-BLLLJJGKSA-N 0 3 362.430 1.894 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000572198472 549863235 /nfs/dbraw/zinc/86/32/35/549863235.db2.gz JXLMUWLAWRHPEB-INIZCTEOSA-N 0 3 364.446 1.750 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(N3CCCCC3)c2)c1 ZINC000572834767 550004811 /nfs/dbraw/zinc/00/48/11/550004811.db2.gz ZVECSFUDKHDFAK-MRXNPFEDSA-N 0 3 360.418 1.327 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000573753061 550205246 /nfs/dbraw/zinc/20/52/46/550205246.db2.gz AGZYEVCPAYRDJE-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN Cc1cc(C)n(-c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)n1 ZINC000576863700 550594217 /nfs/dbraw/zinc/59/42/17/550594217.db2.gz NTSWFKXOUSCYOX-MRXNPFEDSA-N 0 3 371.401 1.140 20 5 FDBDHN CO[C@H]1COCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577098992 550620602 /nfs/dbraw/zinc/62/06/02/550620602.db2.gz QWDCLKVZWMHXJW-WFASDCNBSA-N 0 3 358.416 1.010 20 5 FDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000581067063 551048209 /nfs/dbraw/zinc/04/82/09/551048209.db2.gz UCRYPYBJXAOSPL-DZKIICNBSA-N 0 3 365.430 1.714 20 5 FDBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000581602812 551110153 /nfs/dbraw/zinc/11/01/53/551110153.db2.gz SABLMRKDFJYZFO-GFCCVEGCSA-N 0 3 374.319 1.969 20 5 FDBDHN CNC(=O)C1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582297275 551203765 /nfs/dbraw/zinc/20/37/65/551203765.db2.gz ZEUYYCWMDINNBH-UHFFFAOYSA-N 0 3 369.443 1.263 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000583494799 551360839 /nfs/dbraw/zinc/36/08/39/551360839.db2.gz GJXBKVAMMATZIA-HIFRSBDPSA-N 0 3 350.350 1.795 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@H](N4CCCCC4)C3)cc2n(C)c1=O ZINC000587973497 551637164 /nfs/dbraw/zinc/63/71/64/551637164.db2.gz YOKRRUHQZLBXJK-ZDUSSCGKSA-N 0 3 359.430 1.850 20 5 FDBDHN CN(C)[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCSC1 ZINC000587991017 551638122 /nfs/dbraw/zinc/63/81/22/551638122.db2.gz YRBLHLYNXXBCQH-MRXNPFEDSA-N 0 3 365.459 1.634 20 5 FDBDHN Nc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588003193 551639842 /nfs/dbraw/zinc/63/98/42/551639842.db2.gz UKVJYMQHGBEUCH-MRXNPFEDSA-N 0 3 364.446 1.751 20 5 FDBDHN CS[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H]1N(C)C ZINC000588007943 551640172 /nfs/dbraw/zinc/64/01/72/551640172.db2.gz VHQQIPCKBSYZIJ-CABCVRRESA-N 0 3 365.459 1.267 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402031 551780903 /nfs/dbraw/zinc/78/09/03/551780903.db2.gz QPLVXRAJDTUEAK-IAGOWNOFSA-N 0 3 362.430 1.718 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000591012800 551835105 /nfs/dbraw/zinc/83/51/05/551835105.db2.gz CFQPTBHZOFIIIM-CQSZACIVSA-N 0 3 360.414 1.751 20 5 FDBDHN NCc1cn([C@H]2CCCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nn1 ZINC000591284799 551856065 /nfs/dbraw/zinc/85/60/65/551856065.db2.gz ZXHJJWACGIFOAD-AWEZNQCLSA-N 0 3 374.401 1.253 20 5 FDBDHN O=c1[nH]c2c(cc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000591739541 551905157 /nfs/dbraw/zinc/90/51/57/551905157.db2.gz FEZIQBCFCSHZQO-HNNXBMFYSA-N 0 3 359.382 1.714 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000591984826 551923529 /nfs/dbraw/zinc/92/35/29/551923529.db2.gz ISAXFIWOUQIBBE-VIFPVBQESA-N 0 3 350.404 1.156 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592104719 551942578 /nfs/dbraw/zinc/94/25/78/551942578.db2.gz USTLEMIZBLGOQS-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000592382349 551986599 /nfs/dbraw/zinc/98/65/99/551986599.db2.gz NECMQEAUHAGWFC-OCAPTIKFSA-N 0 3 350.194 1.125 20 5 FDBDHN CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592694617 552019272 /nfs/dbraw/zinc/01/92/72/552019272.db2.gz JNIRQIUIZKSADT-INIZCTEOSA-N 0 3 372.429 1.698 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000592875018 552037613 /nfs/dbraw/zinc/03/76/13/552037613.db2.gz UXXWTDQQPPDDNC-VBNZEHGJSA-N 0 3 360.414 1.277 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593054954 552056506 /nfs/dbraw/zinc/05/65/06/552056506.db2.gz OOUDXSOJORCJGM-JTQLQIEISA-N 0 3 352.288 1.519 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593069768 552058034 /nfs/dbraw/zinc/05/80/34/552058034.db2.gz UNRGUEHEQIUKRP-MOPGFXCFSA-N 0 3 371.441 1.767 20 5 FDBDHN COCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000593338384 552091803 /nfs/dbraw/zinc/09/18/03/552091803.db2.gz IQZKMYDYVOFEPG-UHFFFAOYSA-N 0 3 361.402 1.654 20 5 FDBDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593526604 552123300 /nfs/dbraw/zinc/12/33/00/552123300.db2.gz VURIOVXVTDDIEA-UHFFFAOYSA-N 0 3 350.400 1.530 20 5 FDBDHN O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)C12CCCN1CCC2 ZINC000593670673 552169903 /nfs/dbraw/zinc/16/99/03/552169903.db2.gz XOJHOFAGEBSIAY-UHFFFAOYSA-N 0 3 370.413 1.695 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000593905405 552222725 /nfs/dbraw/zinc/22/27/25/552222725.db2.gz FPQCECYBEYQSBM-JSGCOSHPSA-N 0 3 357.414 1.970 20 5 FDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000594198204 552263259 /nfs/dbraw/zinc/26/32/59/552263259.db2.gz FIVVGCYUMJJWNU-LSDHHAIUSA-N 0 3 370.413 1.922 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594327940 552289351 /nfs/dbraw/zinc/28/93/51/552289351.db2.gz YDARANCFCGVEAH-HOCLYGCPSA-N 0 3 360.414 1.975 20 5 FDBDHN CC(C)Oc1nc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000594556341 552333944 /nfs/dbraw/zinc/33/39/44/552333944.db2.gz PNLLHHGAGVYJOM-HNNXBMFYSA-N 0 3 363.462 1.993 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CC(CF)(CF)C1 ZINC000595019093 552438535 /nfs/dbraw/zinc/43/85/35/552438535.db2.gz HYFTVVANLFNZSR-UHFFFAOYSA-N 0 3 363.386 1.551 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(O)CCS(=O)(=O)CC1 ZINC000595025278 552439174 /nfs/dbraw/zinc/43/91/74/552439174.db2.gz LAHMHHMRDBIWQJ-LLVKDONJSA-N 0 3 358.416 1.194 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595234542 552500776 /nfs/dbraw/zinc/50/07/76/552500776.db2.gz KSJDLNWTKDFQAC-OAHLLOKOSA-N 0 3 360.374 1.274 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595631756 552595245 /nfs/dbraw/zinc/59/52/45/552595245.db2.gz KXFWUJGPXKJNKI-RRFJBIMHSA-N 0 3 365.430 1.997 20 5 FDBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595664837 552600239 /nfs/dbraw/zinc/60/02/39/552600239.db2.gz VWGSFTHITAMGKW-DZGCQCFKSA-N 0 3 351.359 1.152 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000595985826 552641162 /nfs/dbraw/zinc/64/11/62/552641162.db2.gz BZRVLIMKIMNWDO-GZMMTYOYSA-N 0 3 362.308 1.061 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596125013 552657721 /nfs/dbraw/zinc/65/77/21/552657721.db2.gz WNUNRMHSEYQIJR-ZDUSSCGKSA-N 0 3 354.432 1.307 20 5 FDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C(=O)NCCN(C)C ZINC000596181335 552662517 /nfs/dbraw/zinc/66/25/17/552662517.db2.gz ZYKZSCIYMGVLPX-AWEZNQCLSA-N 0 3 365.434 1.198 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422141 552677937 /nfs/dbraw/zinc/67/79/37/552677937.db2.gz AWNBLMQYYTYEAJ-OAHLLOKOSA-N 0 3 371.397 1.267 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596469017 552682069 /nfs/dbraw/zinc/68/20/69/552682069.db2.gz SMLYEEOVEJYEET-UHFFFAOYSA-N 0 3 355.370 1.218 20 5 FDBDHN C[C@@H](CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000596569230 552689900 /nfs/dbraw/zinc/68/99/00/552689900.db2.gz SGYQJLOJEIMGNA-LBPRGKRZSA-N 0 3 372.447 1.008 20 5 FDBDHN Cc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000596626764 552695163 /nfs/dbraw/zinc/69/51/63/552695163.db2.gz RAXQETBSKGMNIJ-UHFFFAOYSA-N 0 3 351.407 1.387 20 5 FDBDHN CN1CCN(CC2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597695497 552823158 /nfs/dbraw/zinc/82/31/58/552823158.db2.gz RZCKCKKIYXJJRR-UHFFFAOYSA-N 0 3 364.471 1.393 20 5 FDBDHN CSc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598183824 552873494 /nfs/dbraw/zinc/87/34/94/552873494.db2.gz BCRZXSSTEWTGQJ-UHFFFAOYSA-N 0 3 368.459 1.409 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000598195113 552875129 /nfs/dbraw/zinc/87/51/29/552875129.db2.gz KXXYSXUIXPHXRE-HNNXBMFYSA-N 0 3 357.414 1.717 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000598195427 552875134 /nfs/dbraw/zinc/87/51/34/552875134.db2.gz NFIUKBQCCMYQER-OAHLLOKOSA-N 0 3 369.425 1.961 20 5 FDBDHN CC(C)c1[n-]nc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453672 552897463 /nfs/dbraw/zinc/89/74/63/552897463.db2.gz STJPVSZLNYFNPU-GFCCVEGCSA-N 0 3 351.407 1.113 20 5 FDBDHN CC(C)c1[n-]nc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453672 552897464 /nfs/dbraw/zinc/89/74/64/552897464.db2.gz STJPVSZLNYFNPU-GFCCVEGCSA-N 0 3 351.407 1.113 20 5 FDBDHN COC(=O)c1ccnc(NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000598595759 552913234 /nfs/dbraw/zinc/91/32/34/552913234.db2.gz UPDCBDIYSFDXIH-UHFFFAOYSA-N 0 3 364.402 1.833 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896536 552940864 /nfs/dbraw/zinc/94/08/64/552940864.db2.gz KGMBPGZOGHYBOL-UHFFFAOYSA-N 0 3 365.434 1.763 20 5 FDBDHN Cn1cc(CCN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nn1 ZINC000599371600 553038529 /nfs/dbraw/zinc/03/85/29/553038529.db2.gz OMEKJADRGVRQMZ-UHFFFAOYSA-N 0 3 370.417 1.354 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599414459 553052005 /nfs/dbraw/zinc/05/20/05/553052005.db2.gz DVZSLGZQOPGRAY-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570750 553091436 /nfs/dbraw/zinc/09/14/36/553091436.db2.gz VWWCDWNTINOKCY-MRXNPFEDSA-N 0 3 351.359 1.187 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622589 553106102 /nfs/dbraw/zinc/10/61/02/553106102.db2.gz GPAMWDRJPCCHRX-HDICACEKSA-N 0 3 365.430 1.545 20 5 FDBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599937104 553177839 /nfs/dbraw/zinc/17/78/39/553177839.db2.gz DGVVPXJJJWMKAR-NWDGAFQWSA-N 0 3 371.340 1.477 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599937690 553178534 /nfs/dbraw/zinc/17/85/34/553178534.db2.gz IAUZPUPEPQWFLJ-ZIAGYGMSSA-N 0 3 365.405 1.679 20 5 FDBDHN C[C@@]1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCS1 ZINC000600133159 553223502 /nfs/dbraw/zinc/22/35/02/553223502.db2.gz SVARFRVJEWIKRO-AWEZNQCLSA-N 0 3 359.473 1.748 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601608619 553444605 /nfs/dbraw/zinc/44/46/05/553444605.db2.gz KKWHBRJIZZJXSU-KRWDZBQOSA-N 0 3 361.442 1.980 20 5 FDBDHN CO[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000602476288 553589510 /nfs/dbraw/zinc/58/95/10/553589510.db2.gz YLBMMCPQFPKOOV-GDBMZVCRSA-N 0 3 350.419 1.918 20 5 FDBDHN O=C1[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]2CCCCN12 ZINC000602689786 553622738 /nfs/dbraw/zinc/62/27/38/553622738.db2.gz YZVBXFHGWOJDRH-ZBFHGGJFSA-N 0 3 359.430 1.702 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000603052086 553701843 /nfs/dbraw/zinc/70/18/43/553701843.db2.gz GWUCJRGQMXHULI-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN CN1CCN(CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603626714 553807407 /nfs/dbraw/zinc/80/74/07/553807407.db2.gz VIXVUXKEAIYNMJ-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609018316 554333693 /nfs/dbraw/zinc/33/36/93/554333693.db2.gz UEUFKIVHISRELK-OAHLLOKOSA-N 0 3 358.402 1.530 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269522 554354113 /nfs/dbraw/zinc/35/41/13/554354113.db2.gz SKJVXAFKFHZPOG-CQSZACIVSA-N 0 3 351.403 1.373 20 5 FDBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCN1CCCC1 ZINC000609761290 554419316 /nfs/dbraw/zinc/41/93/16/554419316.db2.gz IVSFUWBJKAAMIR-UHFFFAOYSA-N 0 3 354.794 1.190 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC(OCCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000610211574 554473912 /nfs/dbraw/zinc/47/39/12/554473912.db2.gz LVTOJWBLRNXDKT-UHFFFAOYSA-N 0 3 371.459 1.635 20 5 FDBDHN Cn1cc(CNCC(C)(C)S(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610511617 554520753 /nfs/dbraw/zinc/52/07/53/554520753.db2.gz PWJSQLGFOBKSLC-UHFFFAOYSA-N 0 3 366.443 1.908 20 5 FDBDHN C[C@@H]1CN(CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000613076070 554879550 /nfs/dbraw/zinc/87/95/50/554879550.db2.gz CIMKQKKZXKZYHF-BETUJISGSA-N 0 3 352.435 1.971 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000615313259 555190250 /nfs/dbraw/zinc/19/02/50/555190250.db2.gz MXHSTSOSGHFRQQ-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000618242301 555597699 /nfs/dbraw/zinc/59/76/99/555597699.db2.gz XJTRPVKBOCWGAF-BETUJISGSA-N 0 3 364.450 1.169 20 5 FDBDHN O=C1c2ccccc2C(=O)N1CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000618600398 555654278 /nfs/dbraw/zinc/65/42/78/555654278.db2.gz BILIMXAFOMGJKO-UHFFFAOYSA-N 0 3 355.350 1.859 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738368070 599298034 /nfs/dbraw/zinc/29/80/34/599298034.db2.gz ZWDJFWWGPBTOCB-LBPRGKRZSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738368070 599298037 /nfs/dbraw/zinc/29/80/37/599298037.db2.gz ZWDJFWWGPBTOCB-LBPRGKRZSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738368070 599298039 /nfs/dbraw/zinc/29/80/39/599298039.db2.gz ZWDJFWWGPBTOCB-LBPRGKRZSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738368070 599298041 /nfs/dbraw/zinc/29/80/41/599298041.db2.gz ZWDJFWWGPBTOCB-LBPRGKRZSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738368068 599298315 /nfs/dbraw/zinc/29/83/15/599298315.db2.gz ZWDJFWWGPBTOCB-GFCCVEGCSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738368068 599298317 /nfs/dbraw/zinc/29/83/17/599298317.db2.gz ZWDJFWWGPBTOCB-GFCCVEGCSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738368068 599298318 /nfs/dbraw/zinc/29/83/18/599298318.db2.gz ZWDJFWWGPBTOCB-GFCCVEGCSA-N 0 3 366.385 1.608 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738368068 599298320 /nfs/dbraw/zinc/29/83/20/599298320.db2.gz ZWDJFWWGPBTOCB-GFCCVEGCSA-N 0 3 366.385 1.608 20 5 FDBDHN C[NH+](C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736765635 599298824 /nfs/dbraw/zinc/29/88/24/599298824.db2.gz ZGDZDAREFZOJLS-LLVKDONJSA-N 0 3 354.374 1.463 20 5 FDBDHN C[NH+](C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736765635 599298826 /nfs/dbraw/zinc/29/88/26/599298826.db2.gz ZGDZDAREFZOJLS-LLVKDONJSA-N 0 3 354.374 1.463 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000273650841 674558805 /nfs/dbraw/zinc/55/88/05/674558805.db2.gz ZBAKFVUHHJEDFC-GFCCVEGCSA-N 0 3 371.415 1.096 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174845931 672097237 /nfs/dbraw/zinc/09/72/37/672097237.db2.gz BQOFMVRINXBTOW-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000178738293 672146862 /nfs/dbraw/zinc/14/68/62/672146862.db2.gz NYMWMWBYUODAGB-MRXNPFEDSA-N 0 3 366.849 1.987 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)CCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000281586922 675532812 /nfs/dbraw/zinc/53/28/12/675532812.db2.gz QRTOXJVAOTWJIR-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN CN1CCN(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000282097382 675598235 /nfs/dbraw/zinc/59/82/35/675598235.db2.gz CDDISEHPDZKNFS-UHFFFAOYSA-N 0 3 370.475 1.040 20 5 FDBDHN CN(CCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000285033793 675785965 /nfs/dbraw/zinc/78/59/65/675785965.db2.gz NLOCXOXEOVRQCF-UHFFFAOYSA-N 0 3 368.821 1.117 20 5 FDBDHN CC(C)N(CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)C ZINC000298181840 676438570 /nfs/dbraw/zinc/43/85/70/676438570.db2.gz BRPHYIDMVCWWCE-UHFFFAOYSA-N 0 3 371.459 1.847 20 5 FDBDHN CC(=O)NC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299364513 676530645 /nfs/dbraw/zinc/53/06/45/676530645.db2.gz WIGKFSPFLSERFA-GDBMZVCRSA-N 0 3 351.403 1.183 20 5 FDBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)c1 ZINC000366595078 677453790 /nfs/dbraw/zinc/45/37/90/677453790.db2.gz DRCAABMJLQJTQA-PWSUYJOCSA-N 0 3 352.313 1.368 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377510145 678550746 /nfs/dbraw/zinc/55/07/46/678550746.db2.gz DWYDKHBWFWDQRK-WCQYABFASA-N 0 3 353.350 1.092 20 5 FDBDHN CSc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377513310 678551884 /nfs/dbraw/zinc/55/18/84/678551884.db2.gz SQPVPQYZUDOGAD-OLZOCXBDSA-N 0 3 351.428 1.910 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCSC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000411314259 679014936 /nfs/dbraw/zinc/01/49/36/679014936.db2.gz DHRTYBDUUZYPCL-LBPRGKRZSA-N 0 3 369.443 1.732 20 5 FDBDHN COC(=O)[C@@]1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412060928 679148614 /nfs/dbraw/zinc/14/86/14/679148614.db2.gz HECWUOPYDUSSOB-DYVFJYSZSA-N 0 3 352.387 1.610 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412096584 679155683 /nfs/dbraw/zinc/15/56/83/679155683.db2.gz SNWCEBIYOJGRPD-JSGCOSHPSA-N 0 3 370.427 1.173 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1F ZINC000412193777 679163590 /nfs/dbraw/zinc/16/35/90/679163590.db2.gz OPHVMDQFFFTFIX-GFCCVEGCSA-N 0 3 351.378 1.980 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](CO)CN1CCCCC1 ZINC000413799763 679298524 /nfs/dbraw/zinc/29/85/24/679298524.db2.gz ORJLAEXGHPWEBM-LLVKDONJSA-N 0 3 357.357 1.379 20 5 FDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416377439 679593733 /nfs/dbraw/zinc/59/37/33/679593733.db2.gz XFXMHWPMLJONFH-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1C ZINC000426211647 680952076 /nfs/dbraw/zinc/95/20/76/680952076.db2.gz UQZAOLHTSKBOBF-JSGCOSHPSA-N 0 3 350.423 1.621 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571914 685221072 /nfs/dbraw/zinc/22/10/72/685221072.db2.gz TXNDLDWESDCOJW-ZDUSSCGKSA-N 0 3 354.382 1.765 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC/C=C\c2ccncc2)cc1 ZINC000486947032 686945461 /nfs/dbraw/zinc/94/54/61/686945461.db2.gz QVTWSMYHGLCCIO-UPHRSURJSA-N 0 3 362.411 1.571 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487998341 687019761 /nfs/dbraw/zinc/01/97/61/687019761.db2.gz HRLLDCGDHSZVBX-INIZCTEOSA-N 0 3 350.419 1.814 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507784833 688676118 /nfs/dbraw/zinc/67/61/18/688676118.db2.gz OFTHPARZWLHVGJ-UHFFFAOYSA-N 0 3 350.394 1.474 20 5 FDBDHN O=C(CC(F)(F)F)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000511060701 689456992 /nfs/dbraw/zinc/45/69/92/689456992.db2.gz VBFFPZSHNCTZPX-NSHDSACASA-N 0 3 363.340 1.572 20 5 FDBDHN CN(C)CCn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000518185887 690122331 /nfs/dbraw/zinc/12/23/31/690122331.db2.gz UVYALYRELCEBAL-UHFFFAOYSA-N 0 3 366.399 1.119 20 5 FDBDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000511113993 782715065 /nfs/dbraw/zinc/71/50/65/782715065.db2.gz FRCPTXMJHHHCST-ZBFHGGJFSA-N 0 3 360.414 1.948 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430220286 770130945 /nfs/dbraw/zinc/13/09/45/770130945.db2.gz QOCMLZHMNSTEPA-UHFFFAOYSA-N 0 3 364.446 1.589 20 5 FDBDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000933244440 776326156 /nfs/dbraw/zinc/32/61/56/776326156.db2.gz RMQMSINJOFWHHS-IRXDYDNUSA-N 0 3 351.447 1.997 20 5 FDBDHN CCN1CCN(CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891756522 779273991 /nfs/dbraw/zinc/27/39/91/779273991.db2.gz LUQLXBFIRCIJRL-UHFFFAOYSA-N 0 3 359.430 1.496 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1cccc([N+](=O)[O-])c1 ZINC000892112408 781573843 /nfs/dbraw/zinc/57/38/43/781573843.db2.gz RMRUTOSEHOJQKK-RRQGHBQHSA-N 0 3 362.430 1.896 20 5 FDBDHN COc1c(O)ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000892159579 781897212 /nfs/dbraw/zinc/89/72/12/781897212.db2.gz QFBCNZZROAQDDW-ZDUSSCGKSA-N 0 3 351.403 1.463 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000364938674 785238413 /nfs/dbraw/zinc/23/84/13/785238413.db2.gz IPCDSSFBLMTWJR-CQSZACIVSA-N 0 3 361.446 1.418 20 5 FDBDHN COc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000782618835 785398029 /nfs/dbraw/zinc/39/80/29/785398029.db2.gz ADSHFKIMHPCUIQ-OLZOCXBDSA-N 0 3 350.375 1.588 20 5 FDBDHN COc1ccc([C@H](O)[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000376493560 788048725 /nfs/dbraw/zinc/04/87/25/788048725.db2.gz WNOOFCKQPSFGOC-MJGOQNOKSA-N 0 3 373.409 1.963 20 5 FDBDHN C[C@]1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN2CCC1CC2 ZINC000892788980 791247814 /nfs/dbraw/zinc/24/78/14/791247814.db2.gz LXXMMFBCGGZREF-SFHVURJKSA-N 0 3 355.398 1.995 20 5 FDBDHN CNC(=O)NC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000412053401 791251508 /nfs/dbraw/zinc/25/15/08/791251508.db2.gz IBHAWGYJVUQJRR-UHFFFAOYSA-N 0 3 363.418 1.625 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000412146843 792318836 /nfs/dbraw/zinc/31/88/36/792318836.db2.gz LPFLLNWQFAFQJX-FHLIZLRMSA-N 0 3 360.458 1.698 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000377725693 792650973 /nfs/dbraw/zinc/65/09/73/792650973.db2.gz RFQWZMMLBDROJD-KGLIPLIRSA-N 0 3 365.434 1.980 20 5 FDBDHN Cc1cccc(NC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000377935823 793164161 /nfs/dbraw/zinc/16/41/61/793164161.db2.gz AMWOISLMZHPMRK-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN COc1cc(CCNC(=O)N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000416927426 794799568 /nfs/dbraw/zinc/79/95/68/794799568.db2.gz VTFUISBGYSZESB-VXGBXAGGSA-N 0 3 366.418 1.546 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)c(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000930887363 795328975 /nfs/dbraw/zinc/32/89/75/795328975.db2.gz CTPMGDSNJUNCPF-QWHCGFSZSA-N 0 3 356.220 1.608 20 5 FDBDHN Cc1cc(OCC(=O)N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000432051288 796256204 /nfs/dbraw/zinc/25/62/04/796256204.db2.gz DDUNEZNHLMGMGL-UHFFFAOYSA-N 0 3 364.446 1.378 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432336223 807302232 /nfs/dbraw/zinc/30/22/32/807302232.db2.gz OYYNJTPCWLMHSG-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN CC(C)N(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H](C)O ZINC000107043391 808051963 /nfs/dbraw/zinc/05/19/63/808051963.db2.gz KGLOFWNZRSIEPA-OAHLLOKOSA-N 0 3 364.446 1.335 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893876686 809784176 /nfs/dbraw/zinc/78/41/76/809784176.db2.gz PTVRWAWLPHNNBX-DLBZAZTESA-N 0 3 362.430 1.378 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413433869 813795365 /nfs/dbraw/zinc/79/53/65/813795365.db2.gz FHHIZUAYRFJQHN-FHLIZLRMSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000413800197 814184992 /nfs/dbraw/zinc/18/49/92/814184992.db2.gz PSWUQVPSZOAZQT-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN CN(C)C[C@H]1NC(=O)N(Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000925086668 818729472 /nfs/dbraw/zinc/72/94/72/818729472.db2.gz PRUHIQSQBAZFKQ-SNVBAGLBSA-N 0 3 371.191 1.339 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000427622661 820388469 /nfs/dbraw/zinc/38/84/69/820388469.db2.gz JPCCNRXCLJFPTO-GOSISDBHSA-N 0 3 373.413 1.178 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000521267058 821183221 /nfs/dbraw/zinc/18/32/21/821183221.db2.gz LBGYJYUFYAKKBF-JKSUJKDBSA-N 0 3 365.430 1.131 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000896432973 824399413 /nfs/dbraw/zinc/39/94/13/824399413.db2.gz UDJVZMSHBSAYPY-CHWSQXEVSA-N 0 3 353.444 1.978 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000896432976 824399492 /nfs/dbraw/zinc/39/94/92/824399492.db2.gz UDJVZMSHBSAYPY-QWHCGFSZSA-N 0 3 353.444 1.978 20 5 FDBDHN COC(=O)COc1ccc(CN(C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000475116223 826744948 /nfs/dbraw/zinc/74/49/48/826744948.db2.gz IDVNSFINCWDQIP-UHFFFAOYSA-N 0 3 368.386 1.120 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COC3CCOCC3)C2)nc1 ZINC000440494245 828160588 /nfs/dbraw/zinc/16/05/88/828160588.db2.gz KXPHUSFLTQJGNI-UKRRQHHQSA-N 0 3 366.418 1.033 20 5 FDBDHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000523670967 828240807 /nfs/dbraw/zinc/24/08/07/828240807.db2.gz YQWXBTPBVPQKNN-CYBMUJFWSA-N 0 3 371.397 1.873 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000447813388 828906992 /nfs/dbraw/zinc/90/69/92/828906992.db2.gz RKMXBEOGNCSEHO-QGZVFWFLSA-N 0 3 358.442 1.878 20 5 FDBDHN CNC(=O)C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000532907633 835552556 /nfs/dbraw/zinc/55/25/56/835552556.db2.gz RFLKVMFUDGFRBC-UHFFFAOYSA-N 0 3 362.386 1.351 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1=O ZINC000270083937 837164459 /nfs/dbraw/zinc/16/44/59/837164459.db2.gz JAGISNDXQRWAPA-UHFFFAOYSA-N 0 3 373.413 1.636 20 5 FDBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C12CCC2 ZINC000459759728 838931868 /nfs/dbraw/zinc/93/18/68/838931868.db2.gz MBGRUFADTBENKI-LSDHHAIUSA-N 0 3 363.370 1.809 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459979369 839170406 /nfs/dbraw/zinc/17/04/06/839170406.db2.gz XVMMCPGIIYUUJX-UHFFFAOYSA-N 0 3 374.441 1.640 20 5 FDBDHN CN1CCN(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000897853983 840513591 /nfs/dbraw/zinc/51/35/91/840513591.db2.gz ARKCIBKAPUODFD-UHFFFAOYSA-N 0 3 358.389 1.875 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843792143 840721388 /nfs/dbraw/zinc/72/13/88/840721388.db2.gz WFCAMCSCDAAEAU-UHFFFAOYSA-N 0 3 354.363 1.462 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)C[C@H](C)O1 ZINC000476356938 841078478 /nfs/dbraw/zinc/07/84/78/841078478.db2.gz PSLBCFAFDIVHKS-STQMWFEESA-N 0 3 365.434 1.290 20 5 FDBDHN CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCN(CC)C1 ZINC000899276294 846018411 /nfs/dbraw/zinc/01/84/11/846018411.db2.gz MXCWHHBPPSSWLX-MRXNPFEDSA-N 0 3 372.429 1.791 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000482964037 849062738 /nfs/dbraw/zinc/06/27/38/849062738.db2.gz NTPAHKMTXMPUGM-LBPRGKRZSA-N 0 3 364.402 1.028 20 5 FDBDHN CNC(=O)C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000483425974 849565359 /nfs/dbraw/zinc/56/53/59/849565359.db2.gz ZNFSHLIEYAZONJ-FUHWJXTLSA-N 0 3 373.409 1.802 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486112395 853723530 /nfs/dbraw/zinc/72/35/30/853723530.db2.gz ZZDLFDWKDBQWLU-ZDUSSCGKSA-N 0 3 371.384 1.985 20 5 FDBDHN CC/C=C/CCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105706975 856007585 /nfs/dbraw/zinc/00/75/85/856007585.db2.gz HQUXQNRPSXHQEX-MULDZMIYSA-N 0 3 351.447 1.700 20 5 FDBDHN COC(CN(CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)OC ZINC000272752623 881367464 /nfs/dbraw/zinc/36/74/64/881367464.db2.gz MJMJDEVZAOHNEZ-UHFFFAOYSA-N 0 3 369.418 1.535 20 5 FDBDHN CC(C)Oc1cc(C(=O)N(CCO)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000911948449 859146634 /nfs/dbraw/zinc/14/66/34/859146634.db2.gz ZPFSYFFFPJAUIA-UHFFFAOYSA-N 0 3 365.430 1.911 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000456333591 866856046 /nfs/dbraw/zinc/85/60/46/866856046.db2.gz LSGIGWLUKDESNH-HNNXBMFYSA-N 0 3 357.414 1.772 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000915623448 877136067 /nfs/dbraw/zinc/13/60/67/877136067.db2.gz WOEMVNRZDNJBAV-OAHLLOKOSA-N 0 3 363.414 1.977 20 5 FDBDHN CCN1CCN(CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272630111 878099427 /nfs/dbraw/zinc/09/94/27/878099427.db2.gz ZPLDMULLDNVJSC-UHFFFAOYSA-N 0 3 370.400 1.830 20 5 FDBDHN CO[C@@]1(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922619921 878833855 /nfs/dbraw/zinc/83/38/55/878833855.db2.gz WDEOENQLVJPBER-LPDYGMJQSA-N 0 3 354.428 1.791 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@@H]2C1 ZINC000272699158 879675783 /nfs/dbraw/zinc/67/57/83/879675783.db2.gz YGYPPZZRIIBNKI-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN C[C@H]1NCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000262761224 884729640 /nfs/dbraw/zinc/72/96/40/884729640.db2.gz ILJMDPOHLSYYQO-NEPJUHHUSA-N 0 3 362.386 1.492 20 5 FDBDHN CCn1ccc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC001035187477 885753909 /nfs/dbraw/zinc/75/39/09/885753909.db2.gz UHKMNNNPLZHULG-HZPDHXFCSA-N 0 3 361.446 1.383 20 5 FDBDHN O=C(NCC1CN(CCCc2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663293 887006128 /nfs/dbraw/zinc/00/61/28/887006128.db2.gz WCLZXQBMLBQXPZ-CZUORRHYSA-N 0 3 353.369 1.611 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1=CCN(C)CC1 ZINC000272805505 890085630 /nfs/dbraw/zinc/08/56/30/890085630.db2.gz VKWNVAWWPNEKSR-CQSZACIVSA-N 0 3 374.441 1.812 20 5 FDBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842914951 907531303 /nfs/dbraw/zinc/53/13/03/907531303.db2.gz OHPXNJBCDKODFB-SFYZADRCSA-N 0 3 366.237 1.761 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CCCN1C ZINC000733168120 920723756 /nfs/dbraw/zinc/72/37/56/920723756.db2.gz CPTGOHICKWHWJY-GFCCVEGCSA-N 0 3 351.359 1.005 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN(C2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169043519 928235844 /nfs/dbraw/zinc/23/58/44/928235844.db2.gz GXVSGSXKJDEWLT-LSDHHAIUSA-N 0 3 368.478 1.669 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786819960 932052983 /nfs/dbraw/zinc/05/29/83/932052983.db2.gz ROLMMSWFGHURJJ-UHFFFAOYSA-N 0 3 356.386 1.576 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000822879179 945281133 /nfs/dbraw/zinc/28/11/33/945281133.db2.gz QLQVESYDWOGXKU-GJZGRUSLSA-N 0 3 371.397 1.374 20 5 FDBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3c2CCN(C)C3)CCNC1 ZINC001170520189 940278386 /nfs/dbraw/zinc/27/83/86/940278386.db2.gz DGWIDEHNXNBVFT-UHFFFAOYSA-N 0 3 360.414 1.805 20 5 FDBDHN CSC1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000810083831 940948117 /nfs/dbraw/zinc/94/81/17/940948117.db2.gz LAGXQFIFLYZQDE-UHFFFAOYSA-N 0 3 365.502 1.762 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101555 941325493 /nfs/dbraw/zinc/32/54/93/941325493.db2.gz DGNSLGGBEWOWDA-GXSJLCMTSA-N 0 3 362.429 1.418 20 5 FDBDHN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102547 941326062 /nfs/dbraw/zinc/32/60/62/941326062.db2.gz RNVKJWQCTJNOIW-RFAUZJTJSA-N 0 3 351.334 1.563 20 5 FDBDHN COc1ccccc1-n1c(C)nnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104941 941326467 /nfs/dbraw/zinc/32/64/67/941326467.db2.gz TXAYTLTULBWIPX-JTQLQIEISA-N 0 3 366.399 1.885 20 5 FDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1CCOc1ccc(F)cc1 ZINC000813110915 941334741 /nfs/dbraw/zinc/33/47/41/941334741.db2.gz LVROEUDXIQGPJO-JTQLQIEISA-N 0 3 352.322 1.627 20 5 FDBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813111806 941335259 /nfs/dbraw/zinc/33/52/59/941335259.db2.gz XPQPQZJCMHOOJZ-NSHDSACASA-N 0 3 356.400 1.268 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[N+](=O)[O-] ZINC000813115268 941336914 /nfs/dbraw/zinc/33/69/14/941336914.db2.gz OADJDIWKSMIBFH-IUCAKERBSA-N 0 3 357.344 1.469 20 5 FDBDHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000813630229 941417888 /nfs/dbraw/zinc/41/78/88/941417888.db2.gz JKUDPBGTDDYKEY-KGLIPLIRSA-N 0 3 362.430 1.992 20 5 FDBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000817859625 943047954 /nfs/dbraw/zinc/04/79/54/943047954.db2.gz KYWXEUPJWPNIOB-UHFFFAOYSA-N 0 3 366.237 1.763 20 5 FDBDHN CNS(=O)(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818953500 943362849 /nfs/dbraw/zinc/36/28/49/943362849.db2.gz ISIQMKAJCSHUIV-MRXNPFEDSA-N 0 3 365.411 1.326 20 5 FDBDHN O=C(CCNCCS(=O)(=O)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000819172784 943460305 /nfs/dbraw/zinc/46/03/05/943460305.db2.gz GHZVQHNTHMBRAB-UHFFFAOYSA-N 0 3 355.416 1.338 20 5 FDBDHN O=C1[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000819182007 943465193 /nfs/dbraw/zinc/46/51/93/943465193.db2.gz GFPMJRNJOPAMDQ-STQMWFEESA-N 0 3 361.320 1.771 20 5 FDBDHN Cn1ccnc1CN1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819221156 943493047 /nfs/dbraw/zinc/49/30/47/943493047.db2.gz BRCBFHPACBCNLV-HOTGVXAUSA-N 0 3 373.413 1.143 20 5 FDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001136226880 943604553 /nfs/dbraw/zinc/60/45/53/943604553.db2.gz PRQXEOWXKOAECN-UHFFFAOYSA-N 0 3 359.390 1.032 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000819825880 943749692 /nfs/dbraw/zinc/74/96/92/943749692.db2.gz YSWHEJUYBOJHDS-HOTGVXAUSA-N 0 3 374.441 1.476 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000819837565 943751007 /nfs/dbraw/zinc/75/10/07/943751007.db2.gz NZRJFNKDBQVBJV-CQSZACIVSA-N 0 3 351.403 1.245 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCN1 ZINC000856484621 971183651 /nfs/dbraw/zinc/18/36/51/971183651.db2.gz FYZXLAZGPWFHFL-INIZCTEOSA-N 0 3 362.430 1.501 20 5 FDBDHN CN1CCC(N(CCO)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000824158968 946254272 /nfs/dbraw/zinc/25/42/72/946254272.db2.gz XVKNXHXFEDOVLT-UHFFFAOYSA-N 0 3 353.394 1.582 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825223766 947060357 /nfs/dbraw/zinc/06/03/57/947060357.db2.gz ODCNWCJZUIDEKA-HOTGVXAUSA-N 0 3 362.430 1.177 20 5 FDBDHN CC([C@H](OC(=O)Cc1nc2ncccn2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845875127 950046721 /nfs/dbraw/zinc/04/67/21/950046721.db2.gz LRUTXVDDKZDYAN-BMIGLBTASA-N 0 3 359.317 1.756 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC12CC(C)(C1)OC2 ZINC001171258140 951719085 /nfs/dbraw/zinc/71/90/85/951719085.db2.gz AREMRSMOBYXKAV-UHFFFAOYSA-N 0 3 369.443 1.374 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3CCNC(=O)[C@@H]3C2)c1F ZINC001173194768 961959762 /nfs/dbraw/zinc/95/97/62/961959762.db2.gz ACRDCMAJXAGWSM-GMXVVIOVSA-N 0 3 351.378 1.741 20 5 FDBDHN COc1ccc(OCCN2CCC(CCO)(CCO)CC2)c([N+](=O)[O-])c1 ZINC001175323747 963148115 /nfs/dbraw/zinc/14/81/15/963148115.db2.gz OSPXSLFFLSAARW-UHFFFAOYSA-N 0 3 368.430 1.829 20 5 FDBDHN CNC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175360710 963166028 /nfs/dbraw/zinc/16/60/28/963166028.db2.gz BEKKJBPBNSPHPE-OAHLLOKOSA-N 0 3 363.418 1.707 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468604 963950366 /nfs/dbraw/zinc/95/03/66/963950366.db2.gz ZHDCSGGRJDZFQA-STQMWFEESA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468604 963950368 /nfs/dbraw/zinc/95/03/68/963950368.db2.gz ZHDCSGGRJDZFQA-STQMWFEESA-N 0 3 357.407 1.947 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008969 964625498 /nfs/dbraw/zinc/62/54/98/964625498.db2.gz VTDDAXPNDBFMJP-SNVBAGLBSA-N 0 3 358.354 1.052 20 5 FDBDHN NS(=O)(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187685692 965623493 /nfs/dbraw/zinc/62/34/93/965623493.db2.gz CRVWTDWRIYRRQI-ZDUSSCGKSA-N 0 3 362.411 1.393 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852434746 967301906 /nfs/dbraw/zinc/30/19/06/967301906.db2.gz GXFQIBHDOFLENM-AWEZNQCLSA-N 0 3 362.386 1.758 20 5 FDBDHN O=C(CN1CC[C@H]2COC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852667448 967518444 /nfs/dbraw/zinc/51/84/44/967518444.db2.gz DZIUXBFTBANMNU-HOTGVXAUSA-N 0 3 374.441 1.212 20 5 FDBDHN Nc1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854497503 968942292 /nfs/dbraw/zinc/94/22/92/968942292.db2.gz RCJNBIDUXXJTDI-SFHVURJKSA-N 0 3 356.382 1.753 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000266071429 975658926 /nfs/dbraw/zinc/65/89/26/975658926.db2.gz FEQLJCHEGOFYGE-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000867443111 976150322 /nfs/dbraw/zinc/15/03/22/976150322.db2.gz CDLJCBBHTMRWII-MRXNPFEDSA-N 0 3 374.441 1.606 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000849494324 977688098 /nfs/dbraw/zinc/68/80/98/977688098.db2.gz SRCXTTRTKNBMQP-SJORKVTESA-N 0 3 369.425 1.953 20 5 FDBDHN COc1ccc(OCCN2C[C@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000880586627 979332367 /nfs/dbraw/zinc/33/23/67/979332367.db2.gz UXFLTTUWDXGTCT-CQSZACIVSA-N 0 3 366.414 1.846 20 5 FDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 ZINC000883371806 982100453 /nfs/dbraw/zinc/10/04/53/982100453.db2.gz ATLCRWQBRIKEGS-MRXNPFEDSA-N 0 3 366.437 1.620 20 5 FDBDHN COc1ccc(CC(=O)OC[C@]2(C)C[C@@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861343719 983694377 /nfs/dbraw/zinc/69/43/77/983694377.db2.gz JJSWYKYGVODCFC-DYVFJYSZSA-N 0 3 352.387 1.798 20 5 FDBDHN COC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCOC1 ZINC000886914299 986736046 /nfs/dbraw/zinc/73/60/46/986736046.db2.gz URNSATAYQIVQIL-JQFCIGGWSA-N 0 3 363.414 1.731 20 5 FDBDHN CC(C)[C@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCN1C ZINC000872737210 988023205 /nfs/dbraw/zinc/02/32/05/988023205.db2.gz JWXGRYFOZRHXGC-OAHLLOKOSA-N 0 3 361.402 1.641 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825643485 988365248 /nfs/dbraw/zinc/36/52/48/988365248.db2.gz BXLLKLKPCLPQKE-VXGBXAGGSA-N 0 3 366.393 1.393 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000876470120 992625626 /nfs/dbraw/zinc/62/56/26/992625626.db2.gz OGTRPUMGAOEJPI-KKMIYCERSA-N 0 3 363.414 1.414 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000876473596 992640610 /nfs/dbraw/zinc/64/06/10/992640610.db2.gz XHXDVBGSAAPKBV-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000876473595 992640934 /nfs/dbraw/zinc/64/09/34/992640934.db2.gz XHXDVBGSAAPKBV-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413099788 993094115 /nfs/dbraw/zinc/09/41/15/993094115.db2.gz BMQVFRVFRIAFEK-QGZVFWFLSA-N 0 3 371.441 2.498 20 5 FDBDHN C[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1F ZINC000889763228 998617071 /nfs/dbraw/zinc/61/70/71/998617071.db2.gz RWHHITPQYGWVDJ-AFAVFJNCSA-N 0 3 365.405 1.895 20 5 FDBDHN O=C1CNC(=O)N1CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266586759 999193841 /nfs/dbraw/zinc/19/38/41/999193841.db2.gz KGOKLYDJBGQFBY-UHFFFAOYSA-N 0 3 362.386 1.380 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000267322298 999311397 /nfs/dbraw/zinc/31/13/97/999311397.db2.gz DFBLCRUVFAFCBP-HUUCEWRRSA-N 0 3 362.430 1.576 20 5 FDBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000927638956 1000956192 /nfs/dbraw/zinc/95/61/92/1000956192.db2.gz FUTPUNVRGWLGDJ-INIZCTEOSA-N 0 3 374.441 1.916 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000932715317 1005119812 /nfs/dbraw/zinc/11/98/12/1005119812.db2.gz IHVJZPDHMZHTEK-ZDUSSCGKSA-N 0 3 366.487 1.930 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000934570401 1005761813 /nfs/dbraw/zinc/76/18/13/1005761813.db2.gz JPBZQJMRGTWACL-BBRMVZONSA-N 0 3 357.414 1.879 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000935982002 1006202026 /nfs/dbraw/zinc/20/20/26/1006202026.db2.gz AXUHYJVGXPGGOR-STQMWFEESA-N 0 3 367.833 1.848 20 5 FDBDHN COCCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000936050486 1006260294 /nfs/dbraw/zinc/26/02/94/1006260294.db2.gz YVTJUOPXEDUGML-UHFFFAOYSA-N 0 3 353.423 1.059 20 5 FDBDHN CCCc1noc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000963787159 1012694314 /nfs/dbraw/zinc/69/43/14/1012694314.db2.gz HJIVXLTXGRGGCH-UETSVZEDSA-N 0 3 363.418 1.204 20 5 FDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000194737305 178222638 /nfs/dbraw/zinc/22/26/38/178222638.db2.gz SFZKYYMINZHGFH-SNVBAGLBSA-N 0 3 364.221 1.373 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195171083 178244825 /nfs/dbraw/zinc/24/48/25/178244825.db2.gz QOCRRRWLRRURBB-NSHDSACASA-N 0 3 352.416 1.035 20 5 FDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000237935427 178338594 /nfs/dbraw/zinc/33/85/94/178338594.db2.gz KSTOUNJWUHJMAN-JTQLQIEISA-N 0 3 353.322 1.629 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000238003121 178343080 /nfs/dbraw/zinc/34/30/80/178343080.db2.gz ZLNABXQQLUMMDH-LLVKDONJSA-N 0 3 352.416 1.083 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](N(C)C)C1 ZINC000245822551 178383502 /nfs/dbraw/zinc/38/35/02/178383502.db2.gz WPPBHNZTANPFAR-GXTWGEPZSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000247657245 178498998 /nfs/dbraw/zinc/49/89/98/178498998.db2.gz XHFOVYUALUIEQI-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000264119193 179030900 /nfs/dbraw/zinc/03/09/00/179030900.db2.gz KLEZIBRZPOXLNI-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000264230255 179055502 /nfs/dbraw/zinc/05/55/02/179055502.db2.gz XSJQHXHSMXRXFZ-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264237279 179057212 /nfs/dbraw/zinc/05/72/12/179057212.db2.gz ABWWBECSKSIZEH-UHFFFAOYSA-N 0 3 373.413 1.064 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264436869 179107790 /nfs/dbraw/zinc/10/77/90/179107790.db2.gz CWZNQTWNLXTTHS-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264504829 179124956 /nfs/dbraw/zinc/12/49/56/179124956.db2.gz RWSDJRXWHKDXLT-MRXNPFEDSA-N 0 3 360.414 1.411 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@H]2CCN(C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000264672459 179163155 /nfs/dbraw/zinc/16/31/55/179163155.db2.gz YVXFRZLLWXERJB-CYBMUJFWSA-N 0 3 371.397 1.131 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@@H]2CCN(C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000264672462 179163440 /nfs/dbraw/zinc/16/34/40/179163440.db2.gz YVXFRZLLWXERJB-ZDUSSCGKSA-N 0 3 371.397 1.131 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000264755420 179189548 /nfs/dbraw/zinc/18/95/48/179189548.db2.gz MMGXHNTVJBWNDC-UHFFFAOYSA-N 0 3 364.421 1.834 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000268250414 180035865 /nfs/dbraw/zinc/03/58/65/180035865.db2.gz WWYARWYKSALMJX-PXAZEXFGSA-N 0 3 355.398 1.993 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269082211 180211112 /nfs/dbraw/zinc/21/11/12/180211112.db2.gz GHAHMYGJXYJQOQ-JSGCOSHPSA-N 0 3 368.459 1.423 20 5 FDBDHN CN(CC(=O)Nc1ccc(N2CCNCC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000269160218 180229920 /nfs/dbraw/zinc/22/99/20/180229920.db2.gz LDCMVDQTVJPOLK-UHFFFAOYSA-N 0 3 370.413 1.474 20 5 FDBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000269627001 180344747 /nfs/dbraw/zinc/34/47/47/180344747.db2.gz SZOQVUDSWYPHHL-ZDUSSCGKSA-N 0 3 358.402 1.528 20 5 FDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1N1CCCC1 ZINC000274695016 181147865 /nfs/dbraw/zinc/14/78/65/181147865.db2.gz RXYLPACUJMVJHU-STQMWFEESA-N 0 3 351.432 1.105 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532392916 540159007 /nfs/dbraw/zinc/15/90/07/540159007.db2.gz HKLRKHJQMCXSBU-UHFFFAOYSA-N 0 3 358.398 1.903 20 5 FDBDHN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397629 540159301 /nfs/dbraw/zinc/15/93/01/540159301.db2.gz IIZMYMUVABYIQL-CQSZACIVSA-N 0 3 362.411 1.855 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(OCCO)CC1 ZINC000534544046 540380358 /nfs/dbraw/zinc/38/03/58/540380358.db2.gz BYJZSEWVLPEENS-UHFFFAOYSA-N 0 3 365.386 1.366 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000534664399 540397462 /nfs/dbraw/zinc/39/74/62/540397462.db2.gz PUGHEJLZHBWXOK-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534951791 540430921 /nfs/dbraw/zinc/43/09/21/540430921.db2.gz MEWZXZWQUARQCJ-TUKIKUTGSA-N 0 3 352.460 1.899 20 5 FDBDHN CN(C)CCOCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000539749000 540987361 /nfs/dbraw/zinc/98/73/61/540987361.db2.gz IBFKHRKQMPYVSW-UHFFFAOYSA-N 0 3 350.419 1.503 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000542566594 541425473 /nfs/dbraw/zinc/42/54/73/541425473.db2.gz LRUSPPCUQLVNQL-HNNXBMFYSA-N 0 3 364.402 1.102 20 5 FDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546568339 542166313 /nfs/dbraw/zinc/16/63/13/542166313.db2.gz NAZQUNZGJVAHJE-INIZCTEOSA-N 0 3 353.444 1.893 20 5 FDBDHN CC1(C)OCC[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295309050 184057762 /nfs/dbraw/zinc/05/77/62/184057762.db2.gz VNMDWMDUUYXXDA-INIZCTEOSA-N 0 3 362.430 1.401 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000295457194 184073206 /nfs/dbraw/zinc/07/32/06/184073206.db2.gz YHMBLOFESBIWRN-UHFFFAOYSA-N 0 3 359.386 1.171 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000295619339 184088834 /nfs/dbraw/zinc/08/88/34/184088834.db2.gz YMKAEGADLDRLIN-LBPRGKRZSA-N 0 3 373.812 1.893 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000296854898 184207860 /nfs/dbraw/zinc/20/78/60/184207860.db2.gz YKHPQERGTKROHJ-CYBMUJFWSA-N 0 3 362.430 1.958 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000297125066 184236889 /nfs/dbraw/zinc/23/68/89/184236889.db2.gz XBBPWGNEHPSPCC-NEPJUHHUSA-N 0 3 364.377 1.676 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000297976171 184367148 /nfs/dbraw/zinc/36/71/48/184367148.db2.gz VSQMNUYDARDXSL-UHFFFAOYSA-N 0 3 362.430 1.998 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000547276246 542296443 /nfs/dbraw/zinc/29/64/43/542296443.db2.gz XEXXCLVUYMONGS-ZDUSSCGKSA-N 0 3 358.192 1.154 20 5 FDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C(N)=O)CCCC1 ZINC000129443721 258262258 /nfs/dbraw/zinc/26/22/58/258262258.db2.gz XRRHAYJJFBAXDA-UHFFFAOYSA-N 0 3 352.366 1.792 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000548747807 542770667 /nfs/dbraw/zinc/77/06/67/542770667.db2.gz CLQWVADJCQUFRQ-TXEJJXNPSA-N 0 3 351.407 1.279 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCN(C2CC2)CC1 ZINC000548935828 542810718 /nfs/dbraw/zinc/81/07/18/542810718.db2.gz ZEFXOTFYBNFOQY-UHFFFAOYSA-N 0 3 360.458 1.812 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]1(C)CCCO1 ZINC000551012925 543215675 /nfs/dbraw/zinc/21/56/75/543215675.db2.gz CEVVHKQHVPDOCV-WFASDCNBSA-N 0 3 357.432 1.420 20 5 FDBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000551715703 543327631 /nfs/dbraw/zinc/32/76/31/543327631.db2.gz GXLFAOFDGQKESB-WMLDXEAASA-N 0 3 373.409 1.767 20 5 FDBDHN Nc1nccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553129464 543574485 /nfs/dbraw/zinc/57/44/85/543574485.db2.gz ZSFGZLUTUXPWQW-CQSZACIVSA-N 0 3 355.398 1.966 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(COc3ccccc3)CC2)c1 ZINC000075646774 172093171 /nfs/dbraw/zinc/09/31/71/172093171.db2.gz HRVZGZMFOCEMSW-KRWDZBQOSA-N 0 3 360.414 1.943 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083026482 172202193 /nfs/dbraw/zinc/20/21/93/172202193.db2.gz WSFPUTYUVMZBBV-GJZGRUSLSA-N 0 3 365.430 1.979 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455759 172218649 /nfs/dbraw/zinc/21/86/49/172218649.db2.gz QPRKTBPRHVCJTD-GJZGRUSLSA-N 0 3 365.430 1.979 20 5 FDBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522654 172265987 /nfs/dbraw/zinc/26/59/87/172265987.db2.gz FJTAWAFMQUBSJG-CABCVRRESA-N 0 3 364.446 1.773 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549924 172266686 /nfs/dbraw/zinc/26/66/86/172266686.db2.gz QVPNGLIKUNRFAU-INIZCTEOSA-N 0 3 356.426 1.963 20 5 FDBDHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000104792992 172386191 /nfs/dbraw/zinc/38/61/91/172386191.db2.gz LUVFYMRDRUWHKJ-HIFRSBDPSA-N 0 3 352.387 1.610 20 5 FDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)Cc1ccccc1 ZINC000110353819 172522021 /nfs/dbraw/zinc/52/20/21/172522021.db2.gz WJYNZJVGCDCOTL-CQSZACIVSA-N 0 3 358.398 1.393 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127551705 173082067 /nfs/dbraw/zinc/08/20/67/173082067.db2.gz APSUBYXHYOLIKC-NEPJUHHUSA-N 0 3 358.398 1.991 20 5 FDBDHN COc1cc(CN2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000129760367 173149989 /nfs/dbraw/zinc/14/99/89/173149989.db2.gz VNVYKSIYIIQKJX-UHFFFAOYSA-N 0 3 365.430 1.909 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133148400 173255112 /nfs/dbraw/zinc/25/51/12/173255112.db2.gz LYLOQTQSKAQGAN-CYBMUJFWSA-N 0 3 352.410 1.737 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133148203 173255183 /nfs/dbraw/zinc/25/51/83/173255183.db2.gz LYLOQTQSKAQGAN-ZDUSSCGKSA-N 0 3 352.410 1.737 20 5 FDBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CN1CCN(C)CC1 ZINC000134613017 173329095 /nfs/dbraw/zinc/32/90/95/173329095.db2.gz XHLIWZQYYVEOHU-AWEZNQCLSA-N 0 3 373.457 1.618 20 5 FDBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137066849 173368172 /nfs/dbraw/zinc/36/81/72/173368172.db2.gz JQXIGEUDQSBEEM-YESZJQIVSA-N 0 3 350.415 1.880 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1Cc1ccccc1 ZINC000137464524 173370894 /nfs/dbraw/zinc/37/08/94/173370894.db2.gz PZEQARIGTZNRAJ-ZBFHGGJFSA-N 0 3 370.409 1.536 20 5 FDBDHN CN(C)CCN(Cc1cccs1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000175665108 174018304 /nfs/dbraw/zinc/01/83/04/174018304.db2.gz MOOKWHKOCABVJX-UHFFFAOYSA-N 0 3 351.432 1.833 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000179474886 258351788 /nfs/dbraw/zinc/35/17/88/258351788.db2.gz NVAPWOOZBYLUPX-UHFFFAOYSA-N 0 3 350.400 1.922 20 5 FDBDHN COc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184356321 258381066 /nfs/dbraw/zinc/38/10/66/258381066.db2.gz VWKJAQYBOLLOTB-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000554291539 543776293 /nfs/dbraw/zinc/77/62/93/543776293.db2.gz XTRSXODCJBCPPW-RDJZCZTQSA-N 0 3 365.430 1.573 20 5 FDBDHN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OCCN(C)C ZINC000299711444 259018706 /nfs/dbraw/zinc/01/87/06/259018706.db2.gz INKPGILQSPQPJY-UHFFFAOYSA-N 0 3 362.386 1.802 20 5 FDBDHN O=c1[nH]cnc2cc(N3CCC(CN4CCOCC4)CC3)c([N+](=O)[O-])cc21 ZINC000301549882 259029695 /nfs/dbraw/zinc/02/96/95/259029695.db2.gz VCFOZANZEJVZGM-UHFFFAOYSA-N 0 3 373.413 1.792 20 5 FDBDHN COc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301610678 259030476 /nfs/dbraw/zinc/03/04/76/259030476.db2.gz CRUJPJONVIYXDW-UHFFFAOYSA-N 0 3 366.393 1.487 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)CC1 ZINC000331549656 259203184 /nfs/dbraw/zinc/20/31/84/259203184.db2.gz VNUSPSLDLCJQFY-ZDUSSCGKSA-N 0 3 352.439 1.381 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000363209632 259553628 /nfs/dbraw/zinc/55/36/28/259553628.db2.gz RYSDUDMTEITESQ-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN CC1CCN(CCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000365892839 259886810 /nfs/dbraw/zinc/88/68/10/259886810.db2.gz HBKJEYDDKCPYSM-UHFFFAOYSA-N 0 3 364.450 1.870 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366192906 259916276 /nfs/dbraw/zinc/91/62/76/259916276.db2.gz PXGLHEGGMNCDTG-HNNXBMFYSA-N 0 3 362.430 1.644 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000367763725 260088052 /nfs/dbraw/zinc/08/80/52/260088052.db2.gz PQLSNHVYRQLXHF-HZMBPMFUSA-N 0 3 366.805 1.739 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])c4nonc43)C2)CC1 ZINC000369008957 260276349 /nfs/dbraw/zinc/27/63/49/260276349.db2.gz IDBRCHCIRUMDIN-CYBMUJFWSA-N 0 3 360.418 1.595 20 5 FDBDHN Cn1cc(CNC[C@H]2CN3CCC[C@@H]3CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369036694 260282039 /nfs/dbraw/zinc/28/20/39/260282039.db2.gz QPEOLIPTMQKKEL-MSOLQXFVSA-N 0 3 371.441 1.948 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369036385 260282811 /nfs/dbraw/zinc/28/28/11/260282811.db2.gz RNJQPGUGHIPZPN-KRWDZBQOSA-N 0 3 362.386 1.806 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000374432619 261130794 /nfs/dbraw/zinc/13/07/94/261130794.db2.gz ZQXZWSSKBSYKHD-FZMZJTMJSA-N 0 3 364.377 1.533 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000374806886 261200616 /nfs/dbraw/zinc/20/06/16/261200616.db2.gz NSZRGUQJLODIJW-VNHYZAJKSA-N 0 3 362.430 1.796 20 5 FDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000378396287 262017982 /nfs/dbraw/zinc/01/79/82/262017982.db2.gz DJSRZPWKFOICJC-UHFFFAOYSA-N 0 3 365.353 1.469 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378402911 262018697 /nfs/dbraw/zinc/01/86/97/262018697.db2.gz XKEQIKZIRVTXNJ-LLVKDONJSA-N 0 3 369.381 1.393 20 5 FDBDHN CN1CC[C@@H]2CCN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000378456880 262029156 /nfs/dbraw/zinc/02/91/56/262029156.db2.gz UTFGKHXYISSVMF-KCXAZCMYSA-N 0 3 358.398 1.253 20 5 FDBDHN COC(=O)c1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000270527781 674223336 /nfs/dbraw/zinc/22/33/36/674223336.db2.gz UWRKTMXOKPJXQP-ZIAGYGMSSA-N 0 3 367.427 1.499 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000270668825 674247680 /nfs/dbraw/zinc/24/76/80/674247680.db2.gz QSQSPMANIHTTFX-JKSUJKDBSA-N 0 3 364.471 1.461 20 5 FDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000034580625 519593756 /nfs/dbraw/zinc/59/37/56/519593756.db2.gz ZRXMOURZVJOJGI-UHFFFAOYSA-N 0 3 363.155 1.491 20 5 FDBDHN CCN1CCN(CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045624297 522122089 /nfs/dbraw/zinc/12/20/89/522122089.db2.gz LOFFMSMBGKZLND-UHFFFAOYSA-N 0 3 363.462 1.812 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000045744238 522147867 /nfs/dbraw/zinc/14/78/67/522147867.db2.gz HNYNVIZLJOWOHX-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1CCN(C2CC2)CC1 ZINC000072938233 522430068 /nfs/dbraw/zinc/43/00/68/522430068.db2.gz QCMBKARCFYKTPN-UHFFFAOYSA-N 0 3 361.398 1.652 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000064348234 522705512 /nfs/dbraw/zinc/70/55/12/522705512.db2.gz LGMUYYYEBQKFQJ-GJZGRUSLSA-N 0 3 360.414 1.762 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2Br)c1 ZINC000048820455 522784927 /nfs/dbraw/zinc/78/49/27/522784927.db2.gz NXWBXYIYEZOTLQ-LBPRGKRZSA-N 0 3 355.192 1.705 20 5 FDBDHN CC(C)N1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075694086 522958861 /nfs/dbraw/zinc/95/88/61/522958861.db2.gz ZXAZZFYXHYKGTC-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000067305670 523384379 /nfs/dbraw/zinc/38/43/79/523384379.db2.gz LLWCNFJZUUOKSY-MRXNPFEDSA-N 0 3 370.413 1.876 20 5 FDBDHN Cc1cc(NC(=O)CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000172358902 524208701 /nfs/dbraw/zinc/20/87/01/524208701.db2.gz MSMSUFUTWTZEMN-GFCCVEGCSA-N 0 3 360.374 1.801 20 5 FDBDHN Cc1c(NC(=O)CCN(C)CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000157646324 524313393 /nfs/dbraw/zinc/31/33/93/524313393.db2.gz ARYWGVPOOKVGJL-UHFFFAOYSA-N 0 3 350.419 1.936 20 5 FDBDHN CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1CCOC ZINC000121731924 524344081 /nfs/dbraw/zinc/34/40/81/524344081.db2.gz PDOSVYONIXMKBA-OAHLLOKOSA-N 0 3 352.435 1.189 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000112549623 524504386 /nfs/dbraw/zinc/50/43/86/524504386.db2.gz SZYXOXXTBUIXCB-ZYHUDNBSSA-N 0 3 374.401 1.435 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCN1CCCC1 ZINC000089897842 524539491 /nfs/dbraw/zinc/53/94/91/524539491.db2.gz QRUDDUZMIRSKNV-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000090539926 524601955 /nfs/dbraw/zinc/60/19/55/524601955.db2.gz YJMFHKAJYRXPTL-MAUKXSAKSA-N 0 3 359.430 1.670 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000159359868 524652196 /nfs/dbraw/zinc/65/21/96/524652196.db2.gz WJMIEYTXAJLFMU-INIZCTEOSA-N 0 3 362.430 1.388 20 5 FDBDHN CC[C@@H]1CCCCN1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000113438180 524682115 /nfs/dbraw/zinc/68/21/15/524682115.db2.gz LLKQYXLGTUHNTJ-OAHLLOKOSA-N 0 3 362.430 1.705 20 5 FDBDHN O=C(NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000174710989 524701869 /nfs/dbraw/zinc/70/18/69/524701869.db2.gz FCSMEIBNSTXNPX-KRWDZBQOSA-N 0 3 373.413 1.047 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000114211088 524759774 /nfs/dbraw/zinc/75/97/74/524759774.db2.gz DLZWZGJSFOUEQT-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000160021162 524790390 /nfs/dbraw/zinc/79/03/90/524790390.db2.gz MDQJRXYRETVJFI-UHFFFAOYSA-N 0 3 358.402 1.708 20 5 FDBDHN CC(C)N1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161117820 525037446 /nfs/dbraw/zinc/03/74/46/525037446.db2.gz YTEKONVNLVVDCG-ZBEGNZNMSA-N 0 3 358.398 1.895 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000152917126 525048143 /nfs/dbraw/zinc/04/81/43/525048143.db2.gz XHFOVYUALUIEQI-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161465746 525114392 /nfs/dbraw/zinc/11/43/92/525114392.db2.gz OLTQGCNZVJLPED-ZDUSSCGKSA-N 0 3 371.459 1.308 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000153151810 525123118 /nfs/dbraw/zinc/12/31/18/525123118.db2.gz ZQIBUQYTUFNBEJ-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN CCN1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000117256167 525292493 /nfs/dbraw/zinc/29/24/93/525292493.db2.gz JBJYVXOSAYGIRG-UHFFFAOYSA-N 0 3 368.821 1.532 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187248 525622792 /nfs/dbraw/zinc/62/27/92/525622792.db2.gz TXWUBFZOXQXETN-GOEBONIOSA-N 0 3 355.398 1.573 20 5 FDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CN1CCN(C)CC1 ZINC000154728121 525623061 /nfs/dbraw/zinc/62/30/61/525623061.db2.gz CCPACKGZZWCNLG-AWEZNQCLSA-N 0 3 371.441 1.756 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179748758 525623861 /nfs/dbraw/zinc/62/38/61/525623861.db2.gz DBHZKLJVCPTAGG-QAPCUYQASA-N 0 3 374.397 1.664 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000131349346 525850263 /nfs/dbraw/zinc/85/02/63/525850263.db2.gz TYOFKCBDSFUYSA-INIZCTEOSA-N 0 3 350.394 1.648 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000107599475 525898530 /nfs/dbraw/zinc/89/85/30/525898530.db2.gz IIIQZBBUUPWWTR-HNNXBMFYSA-N 0 3 370.413 1.876 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000156152627 526066578 /nfs/dbraw/zinc/06/65/78/526066578.db2.gz FAVCTSZOZRVOGE-ZDUSSCGKSA-N 0 3 365.434 1.608 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156269795 526097558 /nfs/dbraw/zinc/09/75/58/526097558.db2.gz BTTDUABMLIVMTM-ZBFHGGJFSA-N 0 3 353.444 1.841 20 5 FDBDHN CN1CCN(C(=O)CC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000109789042 526183902 /nfs/dbraw/zinc/18/39/02/526183902.db2.gz QZSMIIUIEWJMDX-UHFFFAOYSA-N 0 3 360.458 1.971 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](N(C)C)C1 ZINC000109807001 526188762 /nfs/dbraw/zinc/18/87/62/526188762.db2.gz WPPBHNZTANPFAR-JSGCOSHPSA-N 0 3 350.419 1.956 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000183615099 536015862 /nfs/dbraw/zinc/01/58/62/536015862.db2.gz JPJGPHLTPABVMB-AWEZNQCLSA-N 0 3 362.430 1.433 20 5 FDBDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000183728481 536037208 /nfs/dbraw/zinc/03/72/08/536037208.db2.gz PQKUGIYHENYGSK-CZUORRHYSA-N 0 3 355.460 1.882 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185354085 536206426 /nfs/dbraw/zinc/20/64/26/536206426.db2.gz QJAUPZNZRIQQLC-UHFFFAOYSA-N 0 3 350.419 1.594 20 5 FDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185502188 536210243 /nfs/dbraw/zinc/21/02/43/536210243.db2.gz NTXVSZVVLYWKTE-UHFFFAOYSA-N 0 3 361.377 1.915 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000186955829 536250179 /nfs/dbraw/zinc/25/01/79/536250179.db2.gz KDGDMSQPAKKQGA-SNVBAGLBSA-N 0 3 361.395 1.363 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000186955849 536250328 /nfs/dbraw/zinc/25/03/28/536250328.db2.gz KDGDMSQPAKKQGA-JTQLQIEISA-N 0 3 361.395 1.363 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000263658640 537055798 /nfs/dbraw/zinc/05/57/98/537055798.db2.gz GHCSJMNBABDQSM-GFCCVEGCSA-N 0 3 354.432 1.329 20 5 FDBDHN CCOC(=O)c1cc(C(=O)NCCN(C)CCOC)cc([N+](=O)[O-])c1 ZINC000263796489 537102627 /nfs/dbraw/zinc/10/26/27/537102627.db2.gz RUOAUHBKKMEMFN-UHFFFAOYSA-N 0 3 353.375 1.080 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000265620075 537162647 /nfs/dbraw/zinc/16/26/47/537162647.db2.gz XIWSBIDANIRLKK-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000265997387 537182876 /nfs/dbraw/zinc/18/28/76/537182876.db2.gz NYNFTEKHRCFWSF-NWDGAFQWSA-N 0 3 374.397 1.132 20 5 FDBDHN CN(CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)Cc1ccccc1 ZINC000285769993 537265066 /nfs/dbraw/zinc/26/50/66/537265066.db2.gz XXKKZNBQAVTGAT-UHFFFAOYSA-N 0 3 372.429 1.208 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298723523 537288578 /nfs/dbraw/zinc/28/85/78/537288578.db2.gz UTZOOTVWYMNCMP-NSHDSACASA-N 0 3 368.821 1.987 20 5 FDBDHN COC[C@H](O)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272511078 537290165 /nfs/dbraw/zinc/29/01/65/537290165.db2.gz WXXILSZYBLDWAF-LLVKDONJSA-N 0 3 364.345 1.734 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000276244666 537360897 /nfs/dbraw/zinc/36/08/97/537360897.db2.gz RARYSBIDIAFPBH-LBPRGKRZSA-N 0 3 371.415 1.096 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000273046965 537389279 /nfs/dbraw/zinc/38/92/79/537389279.db2.gz IUIZWAICPRVDFY-DOMZBBRYSA-N 0 3 360.414 1.232 20 5 FDBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000271719094 537483676 /nfs/dbraw/zinc/48/36/76/537483676.db2.gz KZXLAGAIRUFQGW-JTQLQIEISA-N 0 3 351.359 1.667 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000272138283 537534189 /nfs/dbraw/zinc/53/41/89/537534189.db2.gz YWDMVKGPKYHZJR-OLZOCXBDSA-N 0 3 357.407 1.947 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)CC1 ZINC000294376065 537689691 /nfs/dbraw/zinc/68/96/91/537689691.db2.gz KPTCNWAYFJCJHH-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285436909 537711018 /nfs/dbraw/zinc/71/10/18/537711018.db2.gz XGDCJVYNELWSPS-HIFRSBDPSA-N 0 3 353.444 1.983 20 5 FDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]12 ZINC000366477899 537767467 /nfs/dbraw/zinc/76/74/67/537767467.db2.gz BJHDUIXBZVYHTQ-LSDHHAIUSA-N 0 3 355.350 1.949 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000366479761 537768765 /nfs/dbraw/zinc/76/87/65/537768765.db2.gz OFMSZRKPXQCFCF-OAHLLOKOSA-N 0 3 363.414 1.733 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411561501 537776365 /nfs/dbraw/zinc/77/63/65/537776365.db2.gz AWSBKPFZUBRVKN-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN CN(C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000416305936 537797506 /nfs/dbraw/zinc/79/75/06/537797506.db2.gz YSOMRLORDQVRDF-LLVKDONJSA-N 0 3 350.375 1.003 20 5 FDBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000411986399 537923249 /nfs/dbraw/zinc/92/32/49/537923249.db2.gz RCZMOECUJYSSIT-MAUKXSAKSA-N 0 3 359.430 1.359 20 5 FDBDHN CC(C)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412087843 537952519 /nfs/dbraw/zinc/95/25/19/537952519.db2.gz RXCDANSIWOXBFZ-UONOGXRCSA-N 0 3 351.403 1.324 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412769600 538017004 /nfs/dbraw/zinc/01/70/04/538017004.db2.gz FHNKHGOZGJTWHU-UHFFFAOYSA-N 0 3 373.413 1.085 20 5 FDBDHN NC[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415425285 538043000 /nfs/dbraw/zinc/04/30/00/538043000.db2.gz KLZOGYCFLNMOQI-AWEZNQCLSA-N 0 3 352.366 1.696 20 5 FDBDHN C[C@@H]1CN(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000377961676 538051421 /nfs/dbraw/zinc/05/14/21/538051421.db2.gz LVWPWRAMBZGRID-OKILXGFUSA-N 0 3 365.434 1.139 20 5 FDBDHN N[C@@H](CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000419940694 538157513 /nfs/dbraw/zinc/15/75/13/538157513.db2.gz ZZNLXKFDYWTWNK-KRWDZBQOSA-N 0 3 368.393 1.296 20 5 FDBDHN Cn1ccnc1[C@H]1CNCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420323505 538266779 /nfs/dbraw/zinc/26/67/79/538266779.db2.gz YHDJKXFQUOBCPP-OAHLLOKOSA-N 0 3 358.402 1.303 20 5 FDBDHN CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000446904290 538328261 /nfs/dbraw/zinc/32/82/61/538328261.db2.gz KMJDJYUQPIIXFV-ZDUSSCGKSA-N 0 3 358.402 1.849 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452061761 538359238 /nfs/dbraw/zinc/35/92/38/538359238.db2.gz PZRFSVVJHAMXOB-DZGCQCFKSA-N 0 3 366.443 1.707 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425050616 538372457 /nfs/dbraw/zinc/37/24/57/538372457.db2.gz RMFPKRXZQKDCJL-IVMMDQJWSA-N 0 3 360.414 1.266 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000420976726 538372966 /nfs/dbraw/zinc/37/29/66/538372966.db2.gz TWBSBDTXYBOFTA-CYBMUJFWSA-N 0 3 357.432 1.232 20 5 FDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449670563 538426650 /nfs/dbraw/zinc/42/66/50/538426650.db2.gz XRCBUWAJNKNKOB-ZDUSSCGKSA-N 0 3 351.313 1.508 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000460271648 538478131 /nfs/dbraw/zinc/47/81/31/538478131.db2.gz RASXJZPLBJJMAD-KRWDZBQOSA-N 0 3 350.419 1.283 20 5 FDBDHN COC(=O)c1cnc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000477739278 538684206 /nfs/dbraw/zinc/68/42/06/538684206.db2.gz HPFUQZHNIYDNPP-CYBMUJFWSA-N 0 3 352.391 1.281 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487959159 538692726 /nfs/dbraw/zinc/69/27/26/538692726.db2.gz BDTMJPDNVPCAOG-OAHLLOKOSA-N 0 3 350.419 1.814 20 5 FDBDHN CC(C)[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000487961539 538695461 /nfs/dbraw/zinc/69/54/61/538695461.db2.gz WSOBGLDDYNLELE-CQSZACIVSA-N 0 3 364.402 1.534 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000464795721 538705614 /nfs/dbraw/zinc/70/56/14/538705614.db2.gz RZPRQOKVGGAZNN-GOSISDBHSA-N 0 3 360.414 1.834 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000474346001 538834812 /nfs/dbraw/zinc/83/48/12/538834812.db2.gz CFDDOFHYWCBSOJ-NVXWUHKLSA-N 0 3 352.387 1.787 20 5 FDBDHN CC(=O)N1CC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000562992693 546345530 /nfs/dbraw/zinc/34/55/30/546345530.db2.gz XIEBHDLQUKWFAA-HOCLYGCPSA-N 0 3 359.386 1.240 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000564584226 546963345 /nfs/dbraw/zinc/96/33/45/546963345.db2.gz JCYCICQRCNNFRV-ZDUSSCGKSA-N 0 3 364.402 1.485 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(C)C ZINC000567164899 548017809 /nfs/dbraw/zinc/01/78/09/548017809.db2.gz DGDXKFJBBLSYJU-SUMWQHHRSA-N 0 3 365.434 1.487 20 5 FDBDHN CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)c1ccccc1 ZINC000567860955 548294966 /nfs/dbraw/zinc/29/49/66/548294966.db2.gz CXKKTWVSQLUQKI-OAHLLOKOSA-N 0 3 362.361 1.315 20 5 FDBDHN CN(C(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000570949019 549472462 /nfs/dbraw/zinc/47/24/62/549472462.db2.gz UHJAUJVDXZPBCC-ROUUACIJSA-N 0 3 363.414 1.467 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000571087362 549522142 /nfs/dbraw/zinc/52/21/42/549522142.db2.gz YTPRAENMAMIAGV-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN CC(C)CC[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000571396595 549629203 /nfs/dbraw/zinc/62/92/03/549629203.db2.gz HYCGXXNBQCGPSN-AWEZNQCLSA-N 0 3 359.448 1.260 20 5 FDBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571524288 549675951 /nfs/dbraw/zinc/67/59/51/549675951.db2.gz ZQKZQSLSYPHVQL-QMMMGPOBSA-N 0 3 366.237 1.763 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)nn1 ZINC000572841289 550007335 /nfs/dbraw/zinc/00/73/35/550007335.db2.gz MQPZYBRRPPRRHP-CYBMUJFWSA-N 0 3 364.793 1.776 20 5 FDBDHN N[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000574787730 550371068 /nfs/dbraw/zinc/37/10/68/550371068.db2.gz BEXCRXBMUUKVBP-DLBZAZTESA-N 0 3 368.393 1.164 20 5 FDBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CN2CCN1CCC2 ZINC000575843919 550481576 /nfs/dbraw/zinc/48/15/76/550481576.db2.gz DJDCBVAGZYJERC-QGZVFWFLSA-N 0 3 357.414 1.125 20 5 FDBDHN N[C@H]1C[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935564 550492839 /nfs/dbraw/zinc/49/28/39/550492839.db2.gz YUSLBEOZHONXST-HOCLYGCPSA-N 0 3 356.382 1.599 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000577297742 550642070 /nfs/dbraw/zinc/64/20/70/550642070.db2.gz DKMWTPOIDKCYNL-QGTPRVQTSA-N 0 3 374.441 1.794 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)CC2CCCC2)cc1 ZINC000577503512 550664082 /nfs/dbraw/zinc/66/40/82/550664082.db2.gz RUTFADMNJYETRZ-HNNXBMFYSA-N 0 3 371.459 1.404 20 5 FDBDHN O=C([C@H]1CNCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577815277 550697342 /nfs/dbraw/zinc/69/73/42/550697342.db2.gz HPOAUOIXQGPTTK-KRWDZBQOSA-N 0 3 367.409 1.525 20 5 FDBDHN N[C@H]1C[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCN2C1=O ZINC000578644146 550786500 /nfs/dbraw/zinc/78/65/00/550786500.db2.gz OQBQVQIKJVYZMV-CABCVRRESA-N 0 3 373.438 1.462 20 5 FDBDHN CNc1nccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000579732485 550904652 /nfs/dbraw/zinc/90/46/52/550904652.db2.gz VJYIXPVUUNEJIT-DOMZBBRYSA-N 0 3 357.414 2.453 20 5 FDBDHN CN(C)C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000580335058 550968836 /nfs/dbraw/zinc/96/88/36/550968836.db2.gz DBWFAEILQQQBFN-GFCCVEGCSA-N 0 3 366.809 1.301 20 5 FDBDHN CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000581088420 551050820 /nfs/dbraw/zinc/05/08/20/551050820.db2.gz CJZYGFLSHLXNJZ-UONOGXRCSA-N 0 3 350.444 1.710 20 5 FDBDHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582900032 551278758 /nfs/dbraw/zinc/27/87/58/551278758.db2.gz ZSGZDYTYYOIALN-KRWDZBQOSA-N 0 3 370.413 1.745 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000588869362 551695117 /nfs/dbraw/zinc/69/51/17/551695117.db2.gz NOORJZTVMYQBIM-OAHLLOKOSA-N 0 3 350.419 1.360 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588868862 551695198 /nfs/dbraw/zinc/69/51/98/551695198.db2.gz HERQYDWKYQZHCV-OAHLLOKOSA-N 0 3 362.430 1.382 20 5 FDBDHN C[C@H](CC(N)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315635 551724512 /nfs/dbraw/zinc/72/45/12/551724512.db2.gz JDIGISQJSSBDIB-SSDOTTSWSA-N 0 3 363.155 1.553 20 5 FDBDHN Cc1nn(CCC(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000590398892 551780216 /nfs/dbraw/zinc/78/02/16/551780216.db2.gz BRNITEPPYSQEBS-HUUCEWRRSA-N 0 3 365.434 1.120 20 5 FDBDHN CSc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399241 551780617 /nfs/dbraw/zinc/78/06/17/551780617.db2.gz JSXSLWKTFNMYSJ-UHFFFAOYSA-N 0 3 364.471 1.636 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000590442309 551784739 /nfs/dbraw/zinc/78/47/39/551784739.db2.gz FKAFMPHMXWGUBI-DOMZBBRYSA-N 0 3 374.397 1.445 20 5 FDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590445065 551785322 /nfs/dbraw/zinc/78/53/22/551785322.db2.gz MTCDYLIPXFDJFF-SKDRFNHKSA-N 0 3 371.340 1.981 20 5 FDBDHN CSc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000590550881 551791259 /nfs/dbraw/zinc/79/12/59/551791259.db2.gz SVNIDOAZBUWNFT-OLZOCXBDSA-N 0 3 351.428 1.598 20 5 FDBDHN COC(=O)c1ccnc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000590587177 551794907 /nfs/dbraw/zinc/79/49/07/551794907.db2.gz WYANUKQYZNBROA-CHWSQXEVSA-N 0 3 366.418 2.078 20 5 FDBDHN CC[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590646166 551801349 /nfs/dbraw/zinc/80/13/49/551801349.db2.gz XZMFKCWSFQBJHJ-QWHCGFSZSA-N 0 3 357.432 1.420 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591924695 551917027 /nfs/dbraw/zinc/91/70/27/551917027.db2.gz HYYPNYALKRDTKP-MRXNPFEDSA-N 0 3 373.457 1.787 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000591986896 551923710 /nfs/dbraw/zinc/92/37/10/551923710.db2.gz YDGYFRZCXYFCDT-GFCCVEGCSA-N 0 3 364.402 1.246 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593133591 552066077 /nfs/dbraw/zinc/06/60/77/552066077.db2.gz LNKUITZBMJJVRD-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593465822 552113119 /nfs/dbraw/zinc/11/31/19/552113119.db2.gz UNULHYQIDDRUDD-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000593984565 552235107 /nfs/dbraw/zinc/23/51/07/552235107.db2.gz TYQMGNOHIMBYDI-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594717971 552362974 /nfs/dbraw/zinc/36/29/74/552362974.db2.gz JBUMUYCJUNLCJC-WFASDCNBSA-N 0 3 358.416 1.010 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745093 552368668 /nfs/dbraw/zinc/36/86/68/552368668.db2.gz WQBVNHIKRNGNTN-UHFFFAOYSA-N 0 3 352.416 1.763 20 5 FDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594753159 552371169 /nfs/dbraw/zinc/37/11/69/552371169.db2.gz HDICAQQMFFVADG-LBPRGKRZSA-N 0 3 364.427 1.858 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000595018012 552437813 /nfs/dbraw/zinc/43/78/13/552437813.db2.gz ZNMKXYJRADEXNF-GFCCVEGCSA-N 0 3 371.459 1.926 20 5 FDBDHN N[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1F ZINC000595260619 552507025 /nfs/dbraw/zinc/50/70/25/552507025.db2.gz GAPJDYMGPLVADN-GMTAPVOTSA-N 0 3 370.406 1.159 20 5 FDBDHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000595551150 552583011 /nfs/dbraw/zinc/58/30/11/552583011.db2.gz VJZHXRVAOCZOLL-UHFFFAOYSA-N 0 3 362.430 1.644 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595729928 552607681 /nfs/dbraw/zinc/60/76/81/552607681.db2.gz WZZIXHOFYKHURJ-GXTWGEPZSA-N 0 3 374.397 1.493 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596049298 552649805 /nfs/dbraw/zinc/64/98/05/552649805.db2.gz DMXGEGWGMZFDHX-VIFPVBQESA-N 0 3 357.310 1.114 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c1C ZINC000596049534 552649901 /nfs/dbraw/zinc/64/99/01/552649901.db2.gz FOKZPRLQUBOBSL-JTQLQIEISA-N 0 3 355.338 1.722 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091378 552654247 /nfs/dbraw/zinc/65/42/47/552654247.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 0 3 372.473 2.287 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC2(CNC2)C1 ZINC000596097850 552654755 /nfs/dbraw/zinc/65/47/55/552654755.db2.gz HSSSCFXVJYVPND-UHFFFAOYSA-N 0 3 356.176 1.172 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000596461341 552681610 /nfs/dbraw/zinc/68/16/10/552681610.db2.gz FUVGGGDXRUXCJE-UHFFFAOYSA-N 0 3 352.420 1.056 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597049826 552739495 /nfs/dbraw/zinc/73/94/95/552739495.db2.gz YMYODLDPPUZJTJ-IUODEOHRSA-N 0 3 355.416 1.030 20 5 FDBDHN CO[C@@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597187244 552758951 /nfs/dbraw/zinc/75/89/51/552758951.db2.gz MSAHIPLVVRDHGR-SFHVURJKSA-N 0 3 360.414 1.969 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597693193 552822750 /nfs/dbraw/zinc/82/27/50/552822750.db2.gz BWKSPHZCKIVJLJ-HOCLYGCPSA-N 0 3 351.378 1.598 20 5 FDBDHN COc1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597694570 552823122 /nfs/dbraw/zinc/82/31/22/552823122.db2.gz LHCDNBBOHPRHOC-ZBFHGGJFSA-N 0 3 363.414 1.468 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597697702 552823602 /nfs/dbraw/zinc/82/36/02/552823602.db2.gz ZERKZYLZSGNKCZ-ROUUACIJSA-N 0 3 372.425 1.871 20 5 FDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000597715584 552825847 /nfs/dbraw/zinc/82/58/47/552825847.db2.gz MZINJDNYOGZVIS-GOSISDBHSA-N 0 3 370.413 1.733 20 5 FDBDHN CCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597943891 552849041 /nfs/dbraw/zinc/84/90/41/552849041.db2.gz AKSHVFQCECHZKY-ZDUSSCGKSA-N 0 3 374.397 1.414 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597989269 552853300 /nfs/dbraw/zinc/85/33/00/552853300.db2.gz DYSGPWJBIUDESS-KRWDZBQOSA-N 0 3 373.413 1.064 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598574528 552910579 /nfs/dbraw/zinc/91/05/79/552910579.db2.gz RIYUAOQGMNQTTH-OLZOCXBDSA-N 0 3 352.439 1.284 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c(C)c1[N+](=O)[O-] ZINC000598600407 552913743 /nfs/dbraw/zinc/91/37/43/552913743.db2.gz BBCIJZFVNCHLNX-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN O=[N+]([O-])c1c(N[C@H]2CCCN3CCCC[C@H]23)ncnc1N1CCOCC1 ZINC000598629661 552918357 /nfs/dbraw/zinc/91/83/57/552918357.db2.gz ANHKJBYZWXJBHB-UONOGXRCSA-N 0 3 362.434 1.650 20 5 FDBDHN CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000598898536 552941130 /nfs/dbraw/zinc/94/11/30/552941130.db2.gz STUDSSSVEAXLLT-OAHLLOKOSA-N 0 3 361.402 1.269 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000599024402 552959120 /nfs/dbraw/zinc/95/91/20/552959120.db2.gz PEZMMQFRFQWISH-SWLSCSKDSA-N 0 3 357.432 1.420 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(N2CCOCC2)CC1 ZINC000599472496 553067507 /nfs/dbraw/zinc/06/75/07/553067507.db2.gz HNQDCGTYLUQGLG-MRXNPFEDSA-N 0 3 365.430 1.131 20 5 FDBDHN COc1ccc(OCCN2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599474427 553067924 /nfs/dbraw/zinc/06/79/24/553067924.db2.gz RIPQSDFXENRCJB-UHFFFAOYSA-N 0 3 365.430 1.779 20 5 FDBDHN CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986449 553194242 /nfs/dbraw/zinc/19/42/42/553194242.db2.gz SLOAVZVERDJLEP-UHFFFAOYSA-N 0 3 369.443 1.555 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600064068 553211301 /nfs/dbraw/zinc/21/13/01/553211301.db2.gz ZRGUKDRYSLFHSZ-OAHLLOKOSA-N 0 3 360.414 1.975 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCC1 ZINC000600470186 553273164 /nfs/dbraw/zinc/27/31/64/553273164.db2.gz HKNWUAKIOYOPHY-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCN(CC3CC3)C2)C1=O ZINC000600693160 553302273 /nfs/dbraw/zinc/30/22/73/553302273.db2.gz FEMBXYUHNNKLPO-MAUKXSAKSA-N 0 3 358.398 1.846 20 5 FDBDHN COCCOCCN(C)CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602047362 553507460 /nfs/dbraw/zinc/50/74/60/553507460.db2.gz QZKBIMPFDBIITQ-UHFFFAOYSA-N 0 3 351.403 1.469 20 5 FDBDHN CN(CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000602511929 553596454 /nfs/dbraw/zinc/59/64/54/553596454.db2.gz SDVIOLBCXNTQLV-UHFFFAOYSA-N 0 3 369.365 1.985 20 5 FDBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCc3nnnn3CC2)cc1Br ZINC000602693314 553623520 /nfs/dbraw/zinc/62/35/20/553623520.db2.gz FQGZRGDMJVIWAW-SSDOTTSWSA-N 0 3 373.236 1.900 20 5 FDBDHN C[N@@H+]1CCCN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000603404837 553781028 /nfs/dbraw/zinc/78/10/28/553781028.db2.gz ZVFBAZJXESFOFU-UHFFFAOYSA-N 0 3 374.438 1.040 20 5 FDBDHN C[N@H+]1CCCN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000603404837 553781030 /nfs/dbraw/zinc/78/10/30/553781030.db2.gz ZVFBAZJXESFOFU-UHFFFAOYSA-N 0 3 374.438 1.040 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000609664955 554408876 /nfs/dbraw/zinc/40/88/76/554408876.db2.gz PJGMYEPOKWUOMJ-OAHLLOKOSA-N 0 3 350.394 1.586 20 5 FDBDHN NC(=O)c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610002348 554448178 /nfs/dbraw/zinc/44/81/78/554448178.db2.gz BINSDPJUCSWKAX-INIZCTEOSA-N 0 3 362.430 1.380 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OCCCO)CC2)c1 ZINC000610682919 554549207 /nfs/dbraw/zinc/54/92/07/554549207.db2.gz HOCWTLKYYADIRL-OAHLLOKOSA-N 0 3 354.403 1.198 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922254 554581420 /nfs/dbraw/zinc/58/14/20/554581420.db2.gz ATZRSVAUOZRMCN-VXGBXAGGSA-N 0 3 351.407 1.113 20 5 FDBDHN COC1CCN(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000611155875 554610517 /nfs/dbraw/zinc/61/05/17/554610517.db2.gz NQLQYLJAMCHVGQ-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000611234381 554618300 /nfs/dbraw/zinc/61/83/00/554618300.db2.gz WGKZRDIAXYPGTM-OAHLLOKOSA-N 0 3 357.414 1.970 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC1CCN(c3cccnn3)CC1)OCCO2 ZINC000617509924 555459500 /nfs/dbraw/zinc/45/95/00/555459500.db2.gz FOJZAKYWRWXESW-UHFFFAOYSA-N 0 3 371.397 1.915 20 5 FDBDHN CCc1[nH]nc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000618179935 555582682 /nfs/dbraw/zinc/58/26/82/555582682.db2.gz HTEBKMLILLSDMH-UHFFFAOYSA-N 0 3 374.401 1.424 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618816487 555681472 /nfs/dbraw/zinc/68/14/72/555681472.db2.gz UNOFJJWJRXTLMC-CQSZACIVSA-N 0 3 362.434 1.622 20 5 FDBDHN COc1c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000619436802 555776399 /nfs/dbraw/zinc/77/63/99/555776399.db2.gz SWBUOEXFIRJTJY-AWEZNQCLSA-N 0 3 362.430 1.455 20 5 FDBDHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134632 598523288 /nfs/dbraw/zinc/52/32/88/598523288.db2.gz KVDWRDCZPOVMHK-WDEREUQCSA-N 0 3 369.389 1.364 20 5 FDBDHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134632 598523290 /nfs/dbraw/zinc/52/32/90/598523290.db2.gz KVDWRDCZPOVMHK-WDEREUQCSA-N 0 3 369.389 1.364 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821596921 606041344 /nfs/dbraw/zinc/04/13/44/606041344.db2.gz YQUZDLBPXNYHAX-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821596921 606041351 /nfs/dbraw/zinc/04/13/51/606041351.db2.gz YQUZDLBPXNYHAX-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821596921 606041355 /nfs/dbraw/zinc/04/13/55/606041355.db2.gz YQUZDLBPXNYHAX-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821596921 606041361 /nfs/dbraw/zinc/04/13/61/606041361.db2.gz YQUZDLBPXNYHAX-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639832 606240036 /nfs/dbraw/zinc/24/00/36/606240036.db2.gz IEXTYQBHHDRIIF-AWEZNQCLSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639832 606240037 /nfs/dbraw/zinc/24/00/37/606240037.db2.gz IEXTYQBHHDRIIF-AWEZNQCLSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639832 606240038 /nfs/dbraw/zinc/24/00/38/606240038.db2.gz IEXTYQBHHDRIIF-AWEZNQCLSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639832 606240039 /nfs/dbraw/zinc/24/00/39/606240039.db2.gz IEXTYQBHHDRIIF-AWEZNQCLSA-N 0 3 373.417 1.466 20 5 FDBDHN CC[N@@H+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825464992 607821586 /nfs/dbraw/zinc/82/15/86/607821586.db2.gz FWEASOKQMPIMEE-LLVKDONJSA-N 0 3 368.401 1.854 20 5 FDBDHN CC[N@H+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825464992 607821587 /nfs/dbraw/zinc/82/15/87/607821587.db2.gz FWEASOKQMPIMEE-LLVKDONJSA-N 0 3 368.401 1.854 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281679632 675544080 /nfs/dbraw/zinc/54/40/80/675544080.db2.gz FEOQYQCKBBVMHQ-UHFFFAOYSA-N 0 3 352.439 1.197 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000364144000 676995228 /nfs/dbraw/zinc/99/52/28/676995228.db2.gz OTPNOBNSKPXSOJ-UHFFFAOYSA-N 0 3 353.423 1.189 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000364144000 676995230 /nfs/dbraw/zinc/99/52/30/676995230.db2.gz OTPNOBNSKPXSOJ-UHFFFAOYSA-N 0 3 353.423 1.189 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000371685790 677757229 /nfs/dbraw/zinc/75/72/29/677757229.db2.gz ORSRJFLCSWVTJA-YGRLFVJLSA-N 0 3 366.805 1.739 20 5 FDBDHN Cc1csc(N2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000371797938 677782189 /nfs/dbraw/zinc/78/21/89/677782189.db2.gz XDJJZNKHOOVYMW-AWEZNQCLSA-N 0 3 366.447 1.129 20 5 FDBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000422557402 680741332 /nfs/dbraw/zinc/74/13/32/680741332.db2.gz WAQAOTGNOYJJNO-UHFFFAOYSA-N 0 3 366.237 1.763 20 5 FDBDHN COC(=O)[C@H]1CSCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412096589 679155656 /nfs/dbraw/zinc/15/56/56/679155656.db2.gz SNWCEBIYOJGRPD-TZMCWYRMSA-N 0 3 370.427 1.173 20 5 FDBDHN CCN(CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000416476521 679635013 /nfs/dbraw/zinc/63/50/13/679635013.db2.gz YJEZRRCWUKOZMY-UHFFFAOYSA-N 0 3 373.431 1.390 20 5 FDBDHN CC(C)N1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452103942 683028705 /nfs/dbraw/zinc/02/87/05/683028705.db2.gz LDNLCPFVXMPVLI-INIZCTEOSA-N 0 3 355.460 1.882 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000453938104 683244565 /nfs/dbraw/zinc/24/45/65/683244565.db2.gz SOOHQGLRRQRNQW-RNCFNFMXSA-N 0 3 352.778 1.349 20 5 FDBDHN COc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000455102396 683396846 /nfs/dbraw/zinc/39/68/46/683396846.db2.gz NIJBLIUGQOVABX-CYBMUJFWSA-N 0 3 352.391 1.572 20 5 FDBDHN Cc1c(CNC(=O)NC[C@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000458694310 684305469 /nfs/dbraw/zinc/30/54/69/684305469.db2.gz ONEONTHWXNTULW-OAHLLOKOSA-N 0 3 350.419 1.549 20 5 FDBDHN CN(C(=O)CN1CCNC[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000262299393 776983253 /nfs/dbraw/zinc/98/32/53/776983253.db2.gz XFGYJEJHSMOOMY-KRWDZBQOSA-N 0 3 355.398 1.599 20 5 FDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccnc1 ZINC000376740117 790520009 /nfs/dbraw/zinc/52/00/09/790520009.db2.gz QKLHMBLMIXVINE-WFASDCNBSA-N 0 3 356.386 1.589 20 5 FDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000430773298 779374692 /nfs/dbraw/zinc/37/46/92/779374692.db2.gz SAVQSQKTKHPLKF-QGZVFWFLSA-N 0 3 365.386 1.105 20 5 FDBDHN Cc1noc(C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000277270358 781276488 /nfs/dbraw/zinc/27/64/88/781276488.db2.gz ROUUDWAVHVEDGK-HZPDHXFCSA-N 0 3 372.385 1.417 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000376953483 790897508 /nfs/dbraw/zinc/89/75/08/790897508.db2.gz GFSKTWQLQVHNSW-AWEZNQCLSA-N 0 3 361.446 1.277 20 5 FDBDHN COc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000782618837 785398111 /nfs/dbraw/zinc/39/81/11/785398111.db2.gz ADSHFKIMHPCUIQ-STQMWFEESA-N 0 3 350.375 1.588 20 5 FDBDHN COc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000782618834 785398402 /nfs/dbraw/zinc/39/84/02/785398402.db2.gz ADSHFKIMHPCUIQ-CHWSQXEVSA-N 0 3 350.375 1.588 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377511379 792060553 /nfs/dbraw/zinc/06/05/53/792060553.db2.gz JOJSJEBOTUYZIL-HOTGVXAUSA-N 0 3 371.397 1.374 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCCN2CCO)c1F ZINC000412375147 794221106 /nfs/dbraw/zinc/22/11/06/794221106.db2.gz OTXDSAGIZFXJFY-GFCCVEGCSA-N 0 3 369.393 1.248 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000419266786 810279326 /nfs/dbraw/zinc/27/93/26/810279326.db2.gz HPOKRHNXLSIOLF-BBRMVZONSA-N 0 3 370.409 1.897 20 5 FDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367060682 814296174 /nfs/dbraw/zinc/29/61/74/814296174.db2.gz QZWNEXLJDDSQLW-UKRRQHHQSA-N 0 3 363.418 1.965 20 5 FDBDHN N[C@H](CC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514930445 816038683 /nfs/dbraw/zinc/03/86/83/816038683.db2.gz DJTKPGIXIQFNTB-MRXNPFEDSA-N 0 3 361.446 1.936 20 5 FDBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000438718515 817683724 /nfs/dbraw/zinc/68/37/24/817683724.db2.gz YCWNQHNFYOFHIM-UHFFFAOYSA-N 0 3 358.402 1.309 20 5 FDBDHN O=C(N[C@H]1C[C@H](CNCc2nnc(C(F)F)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656037 818420968 /nfs/dbraw/zinc/42/09/68/818420968.db2.gz WOLKUBDWDOZTQE-FNCVBFRFSA-N 0 3 361.374 1.125 20 5 FDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729504866 819993018 /nfs/dbraw/zinc/99/30/18/819993018.db2.gz FHEIDAXHNVFDFX-CVEARBPZSA-N 0 3 363.418 1.169 20 5 FDBDHN O=c1[nH]c(N2CCC(CN3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280986075 825845056 /nfs/dbraw/zinc/84/50/56/825845056.db2.gz NUNCHIGLGFFDBO-UHFFFAOYSA-N 0 3 373.413 1.792 20 5 FDBDHN CC(C)c1cnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985430547 827808663 /nfs/dbraw/zinc/80/86/63/827808663.db2.gz CDVMDYIRRLARGW-ZIAGYGMSSA-N 0 3 350.419 1.886 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000448973496 829318094 /nfs/dbraw/zinc/31/80/94/829318094.db2.gz BSUGIVZAMHWFEI-GFCCVEGCSA-N 0 3 368.409 1.498 20 5 FDBDHN Cc1nc(N2CCN(c3ccc(CN(C)C)cn3)CC2)ncc1[N+](=O)[O-] ZINC000450316763 829918184 /nfs/dbraw/zinc/91/81/84/829918184.db2.gz FZNYJEVJXGCNPW-UHFFFAOYSA-N 0 3 357.418 1.476 20 5 FDBDHN Cc1nc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450453223 829969690 /nfs/dbraw/zinc/96/96/90/829969690.db2.gz OKBACVIYKLZVBX-SFHVURJKSA-N 0 3 357.414 1.766 20 5 FDBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000454610902 835590456 /nfs/dbraw/zinc/59/04/56/835590456.db2.gz GHKXUJOEKGECKP-CABCVRRESA-N 0 3 363.462 1.839 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455357982 836018709 /nfs/dbraw/zinc/01/87/09/836018709.db2.gz LCSPOZXKVZGMKZ-CQSZACIVSA-N 0 3 366.418 1.962 20 5 FDBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C12CCC2 ZINC000459759725 838931724 /nfs/dbraw/zinc/93/17/24/838931724.db2.gz MBGRUFADTBENKI-HUUCEWRRSA-N 0 3 363.370 1.809 20 5 FDBDHN CC(C)Cc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000490496694 861373201 /nfs/dbraw/zinc/37/32/01/861373201.db2.gz VAZSAOMFIBSZIQ-MRXNPFEDSA-N 0 3 374.445 1.804 20 5 FDBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccnc1 ZINC000484109622 850418950 /nfs/dbraw/zinc/41/89/50/850418950.db2.gz XKYZISMEPXLLNE-CQSZACIVSA-N 0 3 356.386 1.900 20 5 FDBDHN CN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CN2CCC1CC2 ZINC000906546165 852996071 /nfs/dbraw/zinc/99/60/71/852996071.db2.gz SGGZZRWAMXEZMY-INIZCTEOSA-N 0 3 370.413 1.401 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906579621 853043961 /nfs/dbraw/zinc/04/39/61/853043961.db2.gz WHAATYSLINUDPZ-UHFFFAOYSA-N 0 3 367.402 1.406 20 5 FDBDHN Cc1ccc(NCCCNC(=O)[C@@H]2CN3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000489581527 860007015 /nfs/dbraw/zinc/00/70/15/860007015.db2.gz ZILGBJVGLLFOOL-KRWDZBQOSA-N 0 3 361.446 1.211 20 5 FDBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000255672742 872547950 /nfs/dbraw/zinc/54/79/50/872547950.db2.gz PDNUCXWYYSJZPF-IVZVJUQRSA-N 0 3 374.441 1.131 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272179205 873237533 /nfs/dbraw/zinc/23/75/33/873237533.db2.gz CZUSKGUXMLXIGA-UHFFFAOYSA-N 0 3 364.402 1.081 20 5 FDBDHN CC[C@H](CN1CCOCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922589404 878716901 /nfs/dbraw/zinc/71/69/01/878716901.db2.gz LDGAIUIEFWKIJU-CQSZACIVSA-N 0 3 351.403 1.566 20 5 FDBDHN COc1cc(CONC(=N)[C@@H]2CN(C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064185 883619287 /nfs/dbraw/zinc/61/92/87/883619287.db2.gz LSRAZKOLFCVPRF-HNNXBMFYSA-N 0 3 370.381 1.850 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000920447807 886939400 /nfs/dbraw/zinc/93/94/00/886939400.db2.gz YEPMSBBGRYAKGS-UHFFFAOYSA-N 0 3 374.445 1.088 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000923309210 888874935 /nfs/dbraw/zinc/87/49/35/888874935.db2.gz NGWAJDKIBKQPRV-GOEBONIOSA-N 0 3 374.441 1.740 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000733161904 920708366 /nfs/dbraw/zinc/70/83/66/920708366.db2.gz MTPVZHAMKCMSJP-CYBMUJFWSA-N 0 3 368.409 1.255 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012244 928222033 /nfs/dbraw/zinc/22/20/33/928222033.db2.gz OUGMPOHLLNNOHR-ARFHVFGLSA-N 0 3 368.478 1.669 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000788962645 932891456 /nfs/dbraw/zinc/89/14/56/932891456.db2.gz FSOVTZZYFJWHAQ-KRWDZBQOSA-N 0 3 364.354 1.737 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000791306790 933948513 /nfs/dbraw/zinc/94/85/13/933948513.db2.gz ULQVDGOMBUMMTK-UHFFFAOYSA-N 0 3 367.425 1.167 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747230691 938680651 /nfs/dbraw/zinc/68/06/51/938680651.db2.gz WUIKEVJTOBFVQP-HZPDHXFCSA-N 0 3 358.398 1.529 20 5 FDBDHN COC(=O)COc1c(C)cc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571747 940770308 /nfs/dbraw/zinc/77/03/08/940770308.db2.gz FDXLSEHENHCKLQ-RISCZKNCSA-N 0 3 353.375 1.244 20 5 FDBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170678966 941222091 /nfs/dbraw/zinc/22/20/91/941222091.db2.gz LCRFOXLHSVYISJ-JTQLQIEISA-N 0 3 352.354 1.961 20 5 FDBDHN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102548 941325797 /nfs/dbraw/zinc/32/57/97/941325797.db2.gz RNVKJWQCTJNOIW-VFZGTOFNSA-N 0 3 351.334 1.563 20 5 FDBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106956 941333678 /nfs/dbraw/zinc/33/36/78/941333678.db2.gz IWIGXLHMFGLWGH-LBPRGKRZSA-N 0 3 358.416 1.848 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)[N+](=O)[O-] ZINC000813108535 941334341 /nfs/dbraw/zinc/33/43/41/941334341.db2.gz GZPBMAJGIKMMLN-NWDGAFQWSA-N 0 3 373.431 1.268 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109606 941334362 /nfs/dbraw/zinc/33/43/62/941334362.db2.gz UQTVKDAECNXZGP-GFCCVEGCSA-N 0 3 374.415 1.304 20 5 FDBDHN CC(COC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[N+](=O)[O-] ZINC000813109683 941334838 /nfs/dbraw/zinc/33/48/38/941334838.db2.gz NOJXXYSHMARTJV-JTQLQIEISA-N 0 3 365.411 1.935 20 5 FDBDHN CC(COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813111521 941335267 /nfs/dbraw/zinc/33/52/67/941335267.db2.gz UHHHVBORBCZIMS-BDAKNGLRSA-N 0 3 350.780 1.215 20 5 FDBDHN CC(COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111599 941335663 /nfs/dbraw/zinc/33/56/63/941335663.db2.gz VMIOSJHPFIBFFZ-QMMMGPOBSA-N 0 3 367.343 1.697 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813113749 941336369 /nfs/dbraw/zinc/33/63/69/941336369.db2.gz UQDGJCJCGJTYCK-KGLIPLIRSA-N 0 3 370.427 1.604 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625418 941921526 /nfs/dbraw/zinc/92/15/26/941921526.db2.gz CSMVKCJNJYSYTQ-YPMHNXCESA-N 0 3 356.448 1.642 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000815703824 941945830 /nfs/dbraw/zinc/94/58/30/941945830.db2.gz NRRKNWJALDAVLK-RNCFNFMXSA-N 0 3 352.778 1.349 20 5 FDBDHN O=C(Cc1cccc(F)c1)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989764 943374852 /nfs/dbraw/zinc/37/48/52/943374852.db2.gz DBEDRMBUHXREAS-QGZVFWFLSA-N 0 3 361.373 1.716 20 5 FDBDHN Cn1ccnc1CN1CCC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819221978 943494461 /nfs/dbraw/zinc/49/44/61/943494461.db2.gz KMMGUVVAKHLTRT-HOTGVXAUSA-N 0 3 373.413 1.143 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635062 946460433 /nfs/dbraw/zinc/46/04/33/946460433.db2.gz QPYCBRRGQHPAHL-INIZCTEOSA-N 0 3 370.369 1.477 20 5 FDBDHN CC([C@@H](OC(=O)COCc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876366 950049237 /nfs/dbraw/zinc/04/92/37/950049237.db2.gz CPSKDEFEVPLABS-MEBBXXQBSA-N 0 3 352.322 1.421 20 5 FDBDHN CC([C@H](OC(=O)CN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878759 950051519 /nfs/dbraw/zinc/05/15/19/950051519.db2.gz VVNXDKULOYIBBG-HZMBPMFUSA-N 0 3 360.363 1.111 20 5 FDBDHN O=C(CCN1CCN(c2ncc[nH]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000846878077 951663797 /nfs/dbraw/zinc/66/37/97/951663797.db2.gz QWDYEXJQQCPZID-UHFFFAOYSA-N 0 3 362.365 1.608 20 5 FDBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847040490 951791400 /nfs/dbraw/zinc/79/14/00/951791400.db2.gz QMGGSAVZJDZZPO-WCFLWFBJSA-N 0 3 368.821 1.326 20 5 FDBDHN COCCCNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580535 967182236 /nfs/dbraw/zinc/18/22/36/967182236.db2.gz WDOAMCUEIQJPFC-KRWDZBQOSA-N 0 3 365.430 1.493 20 5 FDBDHN O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852437419 967308717 /nfs/dbraw/zinc/30/87/17/967308717.db2.gz BZLQQQMCCPWPJA-GFCCVEGCSA-N 0 3 366.349 1.589 20 5 FDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855694918 970618489 /nfs/dbraw/zinc/61/84/89/970618489.db2.gz DGIJAEKTAMLMAD-OWBHPGMISA-N 0 3 362.430 1.477 20 5 FDBDHN O=C1NCCC2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)O1 ZINC001198300491 972965268 /nfs/dbraw/zinc/96/52/68/972965268.db2.gz OHHIQVCESRMHOM-CYBMUJFWSA-N 0 3 365.386 1.299 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000863585133 973034512 /nfs/dbraw/zinc/03/45/12/973034512.db2.gz RGYUFQVDGMOUQP-MOPGFXCFSA-N 0 3 372.425 1.514 20 5 FDBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1S(C)(=O)=O ZINC001198778932 973514789 /nfs/dbraw/zinc/51/47/89/973514789.db2.gz IGPVOXAJJQCUJF-LLVKDONJSA-N 0 3 368.415 1.554 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000866211975 975488685 /nfs/dbraw/zinc/48/86/85/975488685.db2.gz HIYZJHHLVITCNM-UHFFFAOYSA-N 0 3 362.430 1.598 20 5 FDBDHN CN1CCN(C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866213559 975491810 /nfs/dbraw/zinc/49/18/10/975491810.db2.gz SHYLCUSASWWTHL-UHFFFAOYSA-N 0 3 362.459 1.816 20 5 FDBDHN Cc1ccc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868510765 977726367 /nfs/dbraw/zinc/72/63/67/977726367.db2.gz ZVSOAWDMQDKXOZ-OAHLLOKOSA-N 0 3 363.462 1.728 20 5 FDBDHN CCON(CC)C(=O)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000862453690 984394826 /nfs/dbraw/zinc/39/48/26/984394826.db2.gz XTUYLAJEUBCWTR-LBPRGKRZSA-N 0 3 352.391 1.702 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293413054 988067518 /nfs/dbraw/zinc/06/75/18/988067518.db2.gz ZBYKOQDDRMMHGD-DLBZAZTESA-N 0 3 362.430 1.353 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000365938768 988247914 /nfs/dbraw/zinc/24/79/14/988247914.db2.gz YABNWDSQJWYOSO-OLZOCXBDSA-N 0 3 362.434 1.763 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000293998909 988279077 /nfs/dbraw/zinc/27/90/77/988279077.db2.gz XBXANHWWDWCESU-JKSUJKDBSA-N 0 3 367.377 1.434 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCN(Cc4cccnc4)C3)nn21 ZINC000362427980 988661641 /nfs/dbraw/zinc/66/16/41/988661641.db2.gz GJEPWRIRPUEFOT-OAHLLOKOSA-N 0 3 367.413 2.357 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000363146902 988952293 /nfs/dbraw/zinc/95/22/93/988952293.db2.gz JKSJVWCYZXLJHV-DKRLNXSXSA-N 0 3 372.425 1.549 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000363348329 989116746 /nfs/dbraw/zinc/11/67/46/989116746.db2.gz FJKOAFLQFIYEBC-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN CN(C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])nc1 ZINC000875655349 991871343 /nfs/dbraw/zinc/87/13/43/991871343.db2.gz DNUJNTDJIALNLC-HUUCEWRRSA-N 0 3 358.402 1.422 20 5 FDBDHN Cc1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000876169016 992393557 /nfs/dbraw/zinc/39/35/57/992393557.db2.gz JAKQNJYXDPAWIL-UHFFFAOYSA-N 0 3 363.462 1.682 20 5 FDBDHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925238387 995422582 /nfs/dbraw/zinc/42/25/82/995422582.db2.gz WYSZZSPSTJWRHA-LSDHHAIUSA-N 0 3 363.462 1.981 20 5 FDBDHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000887403135 997239118 /nfs/dbraw/zinc/23/91/18/997239118.db2.gz PHSLMEYCGLQQFE-UONOGXRCSA-N 0 3 362.430 1.225 20 5 FDBDHN CCOc1ccc([C@H](C)NCCn2cc(C(=O)OC)nn2)cc1[N+](=O)[O-] ZINC000284394448 999823317 /nfs/dbraw/zinc/82/33/17/999823317.db2.gz PIWKPHBWQBHKSF-NSHDSACASA-N 0 3 363.374 1.722 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000930164160 1002899855 /nfs/dbraw/zinc/89/98/55/1002899855.db2.gz WZHIZACWYPZJQE-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN COCCN1CCC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930715036 1003426869 /nfs/dbraw/zinc/42/68/69/1003426869.db2.gz NAAMKQMAVYSHJH-UHFFFAOYSA-N 0 3 353.394 1.894 20 5 FDBDHN CCN1CCN(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932702966 1005109900 /nfs/dbraw/zinc/10/99/00/1005109900.db2.gz ZNOUQPLUGUQWPW-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN COc1ccc(OCCN2CCC3(CC2)C[C@H](O)CCO3)c([N+](=O)[O-])c1 ZINC000933062308 1005338790 /nfs/dbraw/zinc/33/87/90/1005338790.db2.gz QSSYUMGMRYUSJM-CQSZACIVSA-N 0 3 366.414 1.988 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000192805678 178134818 /nfs/dbraw/zinc/13/48/18/178134818.db2.gz IQUBWTDMASYZSP-QWHCGFSZSA-N 0 3 368.409 1.449 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000192828087 178135225 /nfs/dbraw/zinc/13/52/25/178135225.db2.gz MVMZHIRZHOHABH-ZIAGYGMSSA-N 0 3 353.419 1.369 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-]CC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193377183 178159892 /nfs/dbraw/zinc/15/98/92/178159892.db2.gz SCOAJSFVFOWVBN-UHFFFAOYSA-N 0 3 361.395 1.411 20 5 FDBDHN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000193668567 178175053 /nfs/dbraw/zinc/17/50/53/178175053.db2.gz WFVXZCLKWAINGQ-CABCVRRESA-N 0 3 354.794 1.783 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](N(C)C)C1 ZINC000245822555 178383325 /nfs/dbraw/zinc/38/33/25/178383325.db2.gz WPPBHNZTANPFAR-TZMCWYRMSA-N 0 3 350.419 1.956 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245964134 178392336 /nfs/dbraw/zinc/39/23/36/178392336.db2.gz VIVGZGWCDWKTQU-HZPDHXFCSA-N 0 3 367.471 1.883 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000519138460 539469902 /nfs/dbraw/zinc/46/99/02/539469902.db2.gz GHSVTGOTTOUCDQ-UHFFFAOYSA-N 0 3 361.402 1.091 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000519141395 539471339 /nfs/dbraw/zinc/47/13/39/539471339.db2.gz DFWSBZAAYRWFNZ-FMKPAKJESA-N 0 3 353.419 1.033 20 5 FDBDHN O=C1C[C@H](N2CC[C@@H](N3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000264633737 179153901 /nfs/dbraw/zinc/15/39/01/179153901.db2.gz UPASXOFCMLFVNG-SJORKVTESA-N 0 3 372.425 1.787 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000265097627 179286146 /nfs/dbraw/zinc/28/61/46/179286146.db2.gz FUPLWVDSWQENTP-UHFFFAOYSA-N 0 3 352.410 1.881 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC(C)CC1 ZINC000522848013 539585374 /nfs/dbraw/zinc/58/53/74/539585374.db2.gz PPOZSOFPDUSYHT-AWEZNQCLSA-N 0 3 366.466 1.675 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000268217218 180027320 /nfs/dbraw/zinc/02/73/20/180027320.db2.gz PSQAOWLHPZWSMC-RISCZKNCSA-N 0 3 356.386 1.388 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268587076 180120892 /nfs/dbraw/zinc/12/08/92/180120892.db2.gz RNYYXDBNIUYGNA-MRXNPFEDSA-N 0 3 357.414 1.833 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000268912768 180178060 /nfs/dbraw/zinc/17/80/60/180178060.db2.gz IDTTXEMDRMELHZ-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000269156367 180229602 /nfs/dbraw/zinc/22/96/02/180229602.db2.gz GXPWEDRXQDARMX-UHFFFAOYSA-N 0 3 356.386 1.450 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274014379 181012076 /nfs/dbraw/zinc/01/20/76/181012076.db2.gz VFUCQJGJEIRAPD-UHFFFAOYSA-N 0 3 357.432 1.108 20 5 FDBDHN CN(C)CCOc1ccccc1-c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000274001529 181009745 /nfs/dbraw/zinc/00/97/45/181009745.db2.gz YGQSIRPHKUHWKM-UHFFFAOYSA-N 0 3 358.358 1.830 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274237474 181053302 /nfs/dbraw/zinc/05/33/02/181053302.db2.gz FXRPUYSNRFUKCJ-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN CN(C)[C@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCSC1 ZINC000530650953 540016071 /nfs/dbraw/zinc/01/60/71/540016071.db2.gz DMUJAJWANHYVMT-HNNXBMFYSA-N 0 3 353.400 1.491 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCn4ccnc4)CC3)nc2c1 ZINC000274859398 181178698 /nfs/dbraw/zinc/17/86/98/181178698.db2.gz SYSOBPONJHCIOU-UHFFFAOYSA-N 0 3 355.402 1.880 20 5 FDBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)CN1CCN(C)CC1 ZINC000534250329 540338699 /nfs/dbraw/zinc/33/86/99/540338699.db2.gz KIPMOAIFHBNQLC-ZDUSSCGKSA-N 0 3 359.430 1.689 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000539066018 540920393 /nfs/dbraw/zinc/92/03/93/540920393.db2.gz LHNAJGPZEOQQGZ-HUUCEWRRSA-N 0 3 354.428 1.319 20 5 FDBDHN COc1ccc(NC(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000541106476 541151887 /nfs/dbraw/zinc/15/18/87/541151887.db2.gz SDMPTYMNIRRSIL-UHFFFAOYSA-N 0 3 365.434 1.753 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542958221 541508712 /nfs/dbraw/zinc/50/87/12/541508712.db2.gz CTBQNMKPVSTRGH-ZDUSSCGKSA-N 0 3 352.391 1.836 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NCc1ccco1 ZINC000544000613 541698752 /nfs/dbraw/zinc/69/87/52/541698752.db2.gz WZCYRWXWQWWVHV-GFCCVEGCSA-N 0 3 360.370 1.811 20 5 FDBDHN CN1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000096948724 209164794 /nfs/dbraw/zinc/16/47/94/209164794.db2.gz WBGMLABNVAZFJB-UHFFFAOYSA-N 0 3 362.386 1.447 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282377984 182001401 /nfs/dbraw/zinc/00/14/01/182001401.db2.gz GMUNNQCKEVDUMB-LBPRGKRZSA-N 0 3 366.393 1.971 20 5 FDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(F)ccc1[N+](=O)[O-] ZINC000282475791 182018188 /nfs/dbraw/zinc/01/81/88/182018188.db2.gz LOZSNMSZYQRHNW-ZWNOBZJWSA-N 0 3 366.393 1.779 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282721486 182047229 /nfs/dbraw/zinc/04/72/29/182047229.db2.gz ZGFOSIIYJKSIKE-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN CN(C)CCOC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000546071621 542089797 /nfs/dbraw/zinc/08/97/97/542089797.db2.gz ZXAFZGUXQHCOPY-UHFFFAOYSA-N 0 3 371.459 1.467 20 5 FDBDHN CNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000286457239 183070794 /nfs/dbraw/zinc/07/07/94/183070794.db2.gz REITXZKKATZKFA-GJZGRUSLSA-N 0 3 362.430 1.644 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000287286079 183253782 /nfs/dbraw/zinc/25/37/82/183253782.db2.gz UFBBCFTXRGRSNV-XJKSGUPXSA-N 0 3 362.430 1.574 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294724399 184004557 /nfs/dbraw/zinc/00/45/57/184004557.db2.gz ZSFTVBGFAKUVSX-UHFFFAOYSA-N 0 3 369.393 1.973 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000295025558 184028594 /nfs/dbraw/zinc/02/85/94/184028594.db2.gz RAHAGKXBHHCIOA-UHFFFAOYSA-N 0 3 361.320 1.800 20 5 FDBDHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294966189 184023455 /nfs/dbraw/zinc/02/34/55/184023455.db2.gz NYQRJEGXWXAUTO-LLVKDONJSA-N 0 3 354.432 1.163 20 5 FDBDHN CN(C)CCn1nccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000295248832 184049784 /nfs/dbraw/zinc/04/97/84/184049784.db2.gz WILDZAFCVZGPOF-UHFFFAOYSA-N 0 3 367.431 1.337 20 5 FDBDHN CN1CCN(CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000295483800 184075620 /nfs/dbraw/zinc/07/56/20/184075620.db2.gz JMBJWZAALOWLLX-UHFFFAOYSA-N 0 3 358.446 1.935 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000295638281 184090548 /nfs/dbraw/zinc/09/05/48/184090548.db2.gz AXXKVKFDHRZJAH-HNNXBMFYSA-N 0 3 365.430 1.635 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000295979316 184119429 /nfs/dbraw/zinc/11/94/29/184119429.db2.gz KAKPEONMBNSKFZ-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN CCN(C)C(=O)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000296327552 184154404 /nfs/dbraw/zinc/15/44/04/184154404.db2.gz PDERVPLPIHYKRR-ZBFHGGJFSA-N 0 3 353.419 1.427 20 5 FDBDHN C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@@H]1C ZINC000296916252 184214325 /nfs/dbraw/zinc/21/43/25/184214325.db2.gz KMYOQWCDVNBZTR-QLFBSQMISA-N 0 3 361.446 1.900 20 5 FDBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000296958134 184219491 /nfs/dbraw/zinc/21/94/91/184219491.db2.gz CLXPTILUBSALHP-HOTGVXAUSA-N 0 3 357.414 1.988 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297921834 184356242 /nfs/dbraw/zinc/35/62/42/184356242.db2.gz QMESXWVCZQQDGR-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548112527 542558863 /nfs/dbraw/zinc/55/88/63/542558863.db2.gz ZDFQSBMGSYWUTE-GFCCVEGCSA-N 0 3 364.402 1.079 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000172614330 258280625 /nfs/dbraw/zinc/28/06/25/258280625.db2.gz XMWWQBDHZASSPQ-AAEUAGOBSA-N 0 3 369.443 1.553 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548761130 542773326 /nfs/dbraw/zinc/77/33/26/542773326.db2.gz AVYMLTIMSUEMII-CQSZACIVSA-N 0 3 359.382 1.953 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000549828243 542950076 /nfs/dbraw/zinc/95/00/76/542950076.db2.gz WPMPCUGVKIFDHT-CABCVRRESA-N 0 3 360.414 1.215 20 5 FDBDHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000069901619 172033833 /nfs/dbraw/zinc/03/38/33/172033833.db2.gz MMAKXMIUCORLGK-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090519771 172265744 /nfs/dbraw/zinc/26/57/44/172265744.db2.gz IGYTWDWVVPDWSO-LSDHHAIUSA-N 0 3 364.446 1.773 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093820967 172320180 /nfs/dbraw/zinc/32/01/80/172320180.db2.gz WQPLBJXKBQKEKN-UKTKYZJWSA-N 0 3 358.442 1.846 20 5 FDBDHN NC(=O)CC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128293497 173105943 /nfs/dbraw/zinc/10/59/43/173105943.db2.gz UUICQRZLHNMFHS-UHFFFAOYSA-N 0 3 352.366 1.650 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000133102918 173254505 /nfs/dbraw/zinc/25/45/05/173254505.db2.gz NSXASSLCYDQFCH-QGZVFWFLSA-N 0 3 372.429 1.928 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000134033249 173317197 /nfs/dbraw/zinc/31/71/97/173317197.db2.gz JIWOFMVZTBTOFE-AWEZNQCLSA-N 0 3 362.430 1.950 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000140049753 173375110 /nfs/dbraw/zinc/37/51/10/173375110.db2.gz HRYVIRNFWOHMOX-ZDUSSCGKSA-N 0 3 363.443 1.881 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150818278 173382777 /nfs/dbraw/zinc/38/27/77/173382777.db2.gz LPCSKTRKUSLDMV-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000152659962 173440359 /nfs/dbraw/zinc/44/03/59/173440359.db2.gz LGJIOTZEJWJYGW-AWEZNQCLSA-N 0 3 351.403 1.274 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000177054605 174104475 /nfs/dbraw/zinc/10/44/75/174104475.db2.gz WPGSJPOTNFVXAJ-ZDUSSCGKSA-N 0 3 369.443 1.852 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177294198 174119925 /nfs/dbraw/zinc/11/99/25/174119925.db2.gz PEZGNLRGGQTMEI-SQWLQELKSA-N 0 3 360.414 1.089 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177536837 174138999 /nfs/dbraw/zinc/13/89/99/174138999.db2.gz UEUFBRBFSGLSKW-NSHDSACASA-N 0 3 354.794 1.739 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CCN(c2ccncc2)CC1 ZINC000180548760 258370505 /nfs/dbraw/zinc/37/05/05/258370505.db2.gz AYKRUCPOVOJVSC-UHFFFAOYSA-N 0 3 371.397 1.184 20 5 FDBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000180647290 258372414 /nfs/dbraw/zinc/37/24/14/258372414.db2.gz QPDUFDKRYCRCFR-GJZGRUSLSA-N 0 3 362.386 1.664 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000173776808 258310248 /nfs/dbraw/zinc/31/02/48/258310248.db2.gz PCLJECCMNYBLBS-HIFRSBDPSA-N 0 3 371.401 1.075 20 5 FDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H]1CCOC1 ZINC000178776726 258335509 /nfs/dbraw/zinc/33/55/09/258335509.db2.gz KNMNPJUZTONFFZ-HNNXBMFYSA-N 0 3 362.430 1.212 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178823369 258336668 /nfs/dbraw/zinc/33/66/68/258336668.db2.gz RXKADMIFOZYDTR-CABCVRRESA-N 0 3 362.430 1.576 20 5 FDBDHN O=C1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000178903794 258339139 /nfs/dbraw/zinc/33/91/39/258339139.db2.gz PDNUCXWYYSJZPF-NJELEJDNSA-N 0 3 374.441 1.131 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000247277961 258398076 /nfs/dbraw/zinc/39/80/76/258398076.db2.gz FTYZXFJPQMIXBW-VNHYZAJKSA-N 0 3 362.430 1.654 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)n1 ZINC000553389817 543625101 /nfs/dbraw/zinc/62/51/01/543625101.db2.gz KLUZXRCKODDINJ-LBPRGKRZSA-N 0 3 352.391 1.281 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000553696832 543683046 /nfs/dbraw/zinc/68/30/46/543683046.db2.gz WNWLTTMCOVKMTA-AWEZNQCLSA-N 0 3 358.402 1.780 20 5 FDBDHN Cc1c([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000554086279 543745225 /nfs/dbraw/zinc/74/52/25/543745225.db2.gz ULFKDOFGRGJZLP-ZIAGYGMSSA-N 0 3 370.475 1.825 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C ZINC000554336777 543786893 /nfs/dbraw/zinc/78/68/93/543786893.db2.gz KHISKFJVPRHOBQ-UKRRQHHQSA-N 0 3 374.441 1.685 20 5 FDBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000556127838 544102790 /nfs/dbraw/zinc/10/27/90/544102790.db2.gz USELWVIFIDWIKA-HNNXBMFYSA-N 0 3 362.474 1.872 20 5 FDBDHN C[C@@H](NC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000558747870 544524175 /nfs/dbraw/zinc/52/41/75/544524175.db2.gz JEALGKRVTVWIPX-CYBMUJFWSA-N 0 3 373.413 1.948 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000299318369 258988815 /nfs/dbraw/zinc/98/88/15/258988815.db2.gz DKLCADRTFWBDFK-UHFFFAOYSA-N 0 3 357.414 1.664 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301896054 259035094 /nfs/dbraw/zinc/03/50/94/259035094.db2.gz YUMPSZCTHBIKFP-HIFRSBDPSA-N 0 3 371.397 1.136 20 5 FDBDHN Cc1nn(C)c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302467667 259042864 /nfs/dbraw/zinc/04/28/64/259042864.db2.gz STMDSIHPZUOEFV-SFHVURJKSA-N 0 3 359.430 1.710 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000330432468 259144084 /nfs/dbraw/zinc/14/40/84/259144084.db2.gz KAMIAVLVQDSCDC-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000330961810 259171307 /nfs/dbraw/zinc/17/13/07/259171307.db2.gz PEGZTTMFWXJYJI-XBFCOCLRSA-N 0 3 366.466 1.768 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1N1CCCC1 ZINC000332081132 259239238 /nfs/dbraw/zinc/23/92/38/259239238.db2.gz LGEBMTXKTYGDCS-CABCVRRESA-N 0 3 350.444 1.950 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332515067 259272413 /nfs/dbraw/zinc/27/24/13/259272413.db2.gz WMXBOPPBSGTWSQ-TZMCWYRMSA-N 0 3 363.414 1.850 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368598382 260207812 /nfs/dbraw/zinc/20/78/12/260207812.db2.gz ZWGANLPWSQSYSM-XJKSGUPXSA-N 0 3 370.413 1.650 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369163068 260306064 /nfs/dbraw/zinc/30/60/64/260306064.db2.gz LAMAKPRTVQDOKA-OAHLLOKOSA-N 0 3 358.402 1.215 20 5 FDBDHN C[C@@]1(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000374200203 261092974 /nfs/dbraw/zinc/09/29/74/261092974.db2.gz AUWKUXUQGBHLJR-KRWDZBQOSA-N 0 3 362.386 1.284 20 5 FDBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374330473 261111416 /nfs/dbraw/zinc/11/14/16/261111416.db2.gz NXHTVMMAJLYGPH-YJBOKZPZSA-N 0 3 360.458 1.622 20 5 FDBDHN O=C(NC1CC1)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000374596989 261160427 /nfs/dbraw/zinc/16/04/27/261160427.db2.gz SSTMZXRZLYMIDD-HNNXBMFYSA-N 0 3 363.414 1.325 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375024870 261251045 /nfs/dbraw/zinc/25/10/45/261251045.db2.gz YJFQBTCSJCLJQK-DYVFJYSZSA-N 0 3 362.430 1.958 20 5 FDBDHN CC(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000025920016 519090581 /nfs/dbraw/zinc/09/05/81/519090581.db2.gz QRJXQPZSHBXMLA-SFHVURJKSA-N 0 3 371.441 1.990 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000044533556 521966204 /nfs/dbraw/zinc/96/62/04/521966204.db2.gz VNLOLNHQVVQYDN-LBPRGKRZSA-N 0 3 374.397 1.039 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC[C@H]1C ZINC000046858586 522372624 /nfs/dbraw/zinc/37/26/24/522372624.db2.gz KUDORQLNZJRSNN-ZIAGYGMSSA-N 0 3 362.430 1.704 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830087 522396522 /nfs/dbraw/zinc/39/65/22/522396522.db2.gz AYSHWDLGFOJOTK-GOSISDBHSA-N 0 3 360.414 1.834 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818171 522613887 /nfs/dbraw/zinc/61/38/87/522613887.db2.gz XUSFRZQYXISZNU-KRWDZBQOSA-N 0 3 364.446 1.890 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048883054 522790731 /nfs/dbraw/zinc/79/07/31/522790731.db2.gz QAQICTLRLOHWFT-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066045607 522938329 /nfs/dbraw/zinc/93/83/29/522938329.db2.gz CGFIAYZATKCHNW-UHFFFAOYSA-N 0 3 373.457 1.693 20 5 FDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067118829 523324158 /nfs/dbraw/zinc/32/41/58/523324158.db2.gz ROXBNXAIEQYZDK-LLVKDONJSA-N 0 3 373.431 1.375 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CN1CCCC1 ZINC000067751808 523571279 /nfs/dbraw/zinc/57/12/79/523571279.db2.gz QINLHQJNJVYPHH-GFCCVEGCSA-N 0 3 369.443 1.460 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000079982231 523817133 /nfs/dbraw/zinc/81/71/33/523817133.db2.gz PBEGBIJBWJXXJI-ZDUSSCGKSA-N 0 3 362.430 1.356 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000120959031 524110436 /nfs/dbraw/zinc/11/04/36/524110436.db2.gz WZNFRPOOEDJVFR-LBPRGKRZSA-N 0 3 362.430 1.998 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000110995862 524184489 /nfs/dbraw/zinc/18/44/89/524184489.db2.gz VVGXEBHSBJTRQC-CZUORRHYSA-N 0 3 362.430 1.704 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121375651 524238338 /nfs/dbraw/zinc/23/83/38/524238338.db2.gz FQQOWDNNFUDJAS-AWEZNQCLSA-N 0 3 373.475 1.847 20 5 FDBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157666095 524316006 /nfs/dbraw/zinc/31/60/06/524316006.db2.gz OQGPAHJAPHOMBN-BXUZGUMPSA-N 0 3 350.423 1.763 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173246045 524353659 /nfs/dbraw/zinc/35/36/59/524353659.db2.gz QNYYUJHSBQOKIE-AAEUAGOBSA-N 0 3 357.432 1.564 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144578684 524387996 /nfs/dbraw/zinc/38/79/96/524387996.db2.gz PDCAZLDWFRHUPD-HUUCEWRRSA-N 0 3 365.430 1.837 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(N2CCSCC2)CCCCC1 ZINC000112186990 524419564 /nfs/dbraw/zinc/41/95/64/524419564.db2.gz QJXSINQTYHQHTB-UHFFFAOYSA-N 0 3 367.475 1.659 20 5 FDBDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173595662 524421444 /nfs/dbraw/zinc/42/14/44/524421444.db2.gz QNWLDJZUWPXOEE-CZUORRHYSA-N 0 3 367.450 1.025 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000122327332 524509723 /nfs/dbraw/zinc/50/97/23/524509723.db2.gz OKFWUMGWAJMUTC-ZBFHGGJFSA-N 0 3 353.444 1.841 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)cc1Br ZINC000122805983 524619193 /nfs/dbraw/zinc/61/91/93/524619193.db2.gz YHPIJNLARRSFBA-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000114379127 524780600 /nfs/dbraw/zinc/78/06/00/524780600.db2.gz UKVIPDURCXYOCH-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000123769288 524825765 /nfs/dbraw/zinc/82/57/65/524825765.db2.gz FSPJBXROJNVZSE-CYBMUJFWSA-N 0 3 357.414 1.882 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175370395 524952768 /nfs/dbraw/zinc/95/27/68/524952768.db2.gz UWWUAHLKWGEWCA-HNNXBMFYSA-N 0 3 361.446 1.911 20 5 FDBDHN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000152875645 525036028 /nfs/dbraw/zinc/03/60/28/525036028.db2.gz LTDKFMXZSVHPOK-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000124814519 525085417 /nfs/dbraw/zinc/08/54/17/525085417.db2.gz DZZWMHWMMMPUHU-WCQYABFASA-N 0 3 374.401 1.264 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CCN(CCO)CC2)c1C ZINC000161391848 525099274 /nfs/dbraw/zinc/09/92/74/525099274.db2.gz IYRGZRWYJNFDOO-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000153151704 525122221 /nfs/dbraw/zinc/12/22/21/525122221.db2.gz ZQIBUQYTUFNBEJ-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000161666219 525147619 /nfs/dbraw/zinc/14/76/19/525147619.db2.gz GHSPUIJMVJDJRB-HNNXBMFYSA-N 0 3 371.459 1.274 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000161676934 525149070 /nfs/dbraw/zinc/14/90/70/525149070.db2.gz HDZCSGNGLSDEKM-AWEZNQCLSA-N 0 3 371.459 1.274 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@H]1CO ZINC000161721447 525157065 /nfs/dbraw/zinc/15/70/65/525157065.db2.gz HRVULTSVUGQFPN-ZDUSSCGKSA-N 0 3 357.432 1.110 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@H]1CO ZINC000161721447 525157075 /nfs/dbraw/zinc/15/70/75/525157075.db2.gz HRVULTSVUGQFPN-ZDUSSCGKSA-N 0 3 357.432 1.110 20 5 FDBDHN COCCN(C)CCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125245547 525175376 /nfs/dbraw/zinc/17/53/76/525175376.db2.gz FGIKSFDBQVKONI-UHFFFAOYSA-N 0 3 350.419 1.631 20 5 FDBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(OCCN2CCCC2)cc1 ZINC000126763107 525351602 /nfs/dbraw/zinc/35/16/02/525351602.db2.gz DODRCSPIDLBTGL-UHFFFAOYSA-N 0 3 374.401 1.324 20 5 FDBDHN O=C(NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)c1ccccc1 ZINC000178047827 525376167 /nfs/dbraw/zinc/37/61/67/525376167.db2.gz MPDPUQSVXMGQES-OAHLLOKOSA-N 0 3 357.414 1.933 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000154309892 525489365 /nfs/dbraw/zinc/48/93/65/525489365.db2.gz QIDSXUMDDSBOKK-MRXNPFEDSA-N 0 3 362.474 1.917 20 5 FDBDHN CC(C)C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129492578 525660333 /nfs/dbraw/zinc/66/03/33/525660333.db2.gz LUKQKMTYXRZDCD-NSHDSACASA-N 0 3 368.463 1.808 20 5 FDBDHN CN(C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180537137 525719989 /nfs/dbraw/zinc/71/99/89/525719989.db2.gz DXIYIROWRFMYLB-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000119681801 525826415 /nfs/dbraw/zinc/82/64/15/525826415.db2.gz QMOXQUFYINBYEH-ZDUSSCGKSA-N 0 3 363.443 1.881 20 5 FDBDHN CCN(CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000171250916 525917495 /nfs/dbraw/zinc/91/74/95/525917495.db2.gz CSNZKGJPMPDVFB-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000120118586 525967353 /nfs/dbraw/zinc/96/73/53/525967353.db2.gz QKCGNTJIMMNGDH-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000171371634 525967637 /nfs/dbraw/zinc/96/76/37/525967637.db2.gz QTXDDUCEYLTIGL-UHFFFAOYSA-N 0 3 351.407 1.065 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000171371634 525967648 /nfs/dbraw/zinc/96/76/48/525967648.db2.gz QTXDDUCEYLTIGL-UHFFFAOYSA-N 0 3 351.407 1.065 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171448991 525997363 /nfs/dbraw/zinc/99/73/63/525997363.db2.gz KOVGBNQYBMPQTI-CZUORRHYSA-N 0 3 360.414 1.410 20 5 FDBDHN CCOC(=O)c1ccnc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000133189907 526031799 /nfs/dbraw/zinc/03/17/99/526031799.db2.gz LMRARSHFGJCKRV-UHFFFAOYSA-N 0 3 357.370 1.888 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182053905 526037079 /nfs/dbraw/zinc/03/70/79/526037079.db2.gz UHMWUOQTTYKVCD-WBMJQRKESA-N 0 3 357.374 1.084 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000120488564 526082769 /nfs/dbraw/zinc/08/27/69/526082769.db2.gz XKMWQICZVRUEPL-KRWDZBQOSA-N 0 3 362.430 1.773 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000171768730 526114111 /nfs/dbraw/zinc/11/41/11/526114111.db2.gz JELAYDNAQQHPSC-HNNXBMFYSA-N 0 3 361.446 1.768 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134596938 526168401 /nfs/dbraw/zinc/16/84/01/526168401.db2.gz CZYWOAHZEYUIET-CQSZACIVSA-N 0 3 373.457 1.761 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171899018 526172576 /nfs/dbraw/zinc/17/25/76/526172576.db2.gz QWKWDFALSVJVSN-AWEZNQCLSA-N 0 3 365.434 1.417 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110018326 526215338 /nfs/dbraw/zinc/21/53/38/526215338.db2.gz ABFQQFMDIKFAGK-UHFFFAOYSA-N 0 3 363.462 1.370 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182766061 535858946 /nfs/dbraw/zinc/85/89/46/535858946.db2.gz YAEXFMPRMSFLLQ-LLVKDONJSA-N 0 3 354.794 1.787 20 5 FDBDHN CCOC(=O)c1ccnc(N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184826825 536186188 /nfs/dbraw/zinc/18/61/88/536186188.db2.gz TZBYDOWWCJCDJE-ZDUSSCGKSA-N 0 3 365.434 1.604 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1Cc1ccccc1 ZINC000185318989 536205330 /nfs/dbraw/zinc/20/53/30/536205330.db2.gz QECQHKZAWAPYHY-OCCSQVGLSA-N 0 3 355.398 1.965 20 5 FDBDHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000185599878 536213293 /nfs/dbraw/zinc/21/32/93/536213293.db2.gz AUTPYAUZEQSSPA-LSDHHAIUSA-N 0 3 363.462 1.981 20 5 FDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000187461580 536266909 /nfs/dbraw/zinc/26/69/09/536266909.db2.gz YVWLBXHYFRAMIP-HNNXBMFYSA-N 0 3 357.414 1.969 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246396778 536944848 /nfs/dbraw/zinc/94/48/48/536944848.db2.gz KONLAXVMIYPOQT-MBNYWOFBSA-N 0 3 360.414 1.455 20 5 FDBDHN CSc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000189007942 536984875 /nfs/dbraw/zinc/98/48/75/536984875.db2.gz ITKZVEIEVJIOKI-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000246663122 536999491 /nfs/dbraw/zinc/99/94/91/536999491.db2.gz LRXWNTNSYUHDPD-YSVLISHTSA-N 0 3 374.441 1.656 20 5 FDBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246692286 537004949 /nfs/dbraw/zinc/00/49/49/537004949.db2.gz IMCTZNLZWHGOOR-SUMWQHHRSA-N 0 3 371.401 1.426 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@H](C)O)CC1 ZINC000189348834 537031622 /nfs/dbraw/zinc/03/16/22/537031622.db2.gz FZBZCSHXOFNGGO-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000263645761 537050557 /nfs/dbraw/zinc/05/05/57/537050557.db2.gz CHIKIRKMQURCAQ-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000247105199 537082135 /nfs/dbraw/zinc/08/21/35/537082135.db2.gz VFGGJMFIMQYDQE-JKSUJKDBSA-N 0 3 374.441 1.544 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000189842054 537104108 /nfs/dbraw/zinc/10/41/08/537104108.db2.gz NFIHXODCWOLLAY-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000247736342 537147022 /nfs/dbraw/zinc/14/70/22/537147022.db2.gz VVGXEBHSBJTRQC-BBRMVZONSA-N 0 3 362.430 1.704 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC(C)C)CC2)n1 ZINC000191835933 537213310 /nfs/dbraw/zinc/21/33/10/537213310.db2.gz YVKGVLVMCMOGLP-UHFFFAOYSA-N 0 3 353.423 1.430 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298723518 537286915 /nfs/dbraw/zinc/28/69/15/537286915.db2.gz UTZOOTVWYMNCMP-LLVKDONJSA-N 0 3 368.821 1.987 20 5 FDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1[N+](=O)[O-] ZINC000270878891 537388941 /nfs/dbraw/zinc/38/89/41/537388941.db2.gz PCLBGALBFMDTRB-GJZGRUSLSA-N 0 3 373.413 1.239 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000290930993 537475188 /nfs/dbraw/zinc/47/51/88/537475188.db2.gz YQHBKXKAVYJHMI-HIFRSBDPSA-N 0 3 360.414 1.791 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000299214651 537487939 /nfs/dbraw/zinc/48/79/39/537487939.db2.gz HTNPEXWHOHORAB-UHFFFAOYSA-N 0 3 364.446 1.426 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000299248113 537509183 /nfs/dbraw/zinc/50/91/83/537509183.db2.gz KNXXPCOJGPUULP-INIZCTEOSA-N 0 3 366.443 1.395 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272003547 537517137 /nfs/dbraw/zinc/51/71/37/537517137.db2.gz IHTLLEIDQTZTHX-CZUORRHYSA-N 0 3 374.441 1.644 20 5 FDBDHN COc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281785622 537583651 /nfs/dbraw/zinc/58/36/51/537583651.db2.gz NMBCUVATCYHUFI-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN COCCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CCN(C)CC1 ZINC000291521935 537619451 /nfs/dbraw/zinc/61/94/51/537619451.db2.gz YHIOYFRICGNEJQ-UHFFFAOYSA-N 0 3 353.423 1.210 20 5 FDBDHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000245425751 537658200 /nfs/dbraw/zinc/65/82/00/537658200.db2.gz FFFJLQDYHMACQX-BBRMVZONSA-N 0 3 362.430 1.656 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000298516002 537722835 /nfs/dbraw/zinc/72/28/35/537722835.db2.gz ZGIOFHTWPMZNTP-CHWSQXEVSA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@@H](C)O1 ZINC000285686984 537746159 /nfs/dbraw/zinc/74/61/59/537746159.db2.gz QVQSOJYZSGWKFW-VXGBXAGGSA-N 0 3 351.407 1.279 20 5 FDBDHN O=C1NC(=O)[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]12 ZINC000366477896 537767646 /nfs/dbraw/zinc/76/76/46/537767646.db2.gz BJHDUIXBZVYHTQ-CABCVRRESA-N 0 3 355.350 1.949 20 5 FDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(CCN2CCCOCC2)CC1 ZINC000366917267 537890806 /nfs/dbraw/zinc/89/08/06/537890806.db2.gz NVGAQNJGWYCVBM-UHFFFAOYSA-N 0 3 366.437 1.574 20 5 FDBDHN NC(=O)c1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000411974920 537919011 /nfs/dbraw/zinc/91/90/11/537919011.db2.gz ZJJXBKJFHVZPEY-IBGZPJMESA-N 0 3 368.393 1.323 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1[N+](=O)[O-] ZINC000419281769 538020707 /nfs/dbraw/zinc/02/07/07/538020707.db2.gz XXFVADWADRWOEF-RBOXIYTFSA-N 0 3 362.430 1.666 20 5 FDBDHN C[C@@H]1CN(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000377961677 538050515 /nfs/dbraw/zinc/05/05/15/538050515.db2.gz LVWPWRAMBZGRID-ZIAGYGMSSA-N 0 3 365.434 1.139 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000450481616 538131226 /nfs/dbraw/zinc/13/12/26/538131226.db2.gz BIPJBZBZNQXPDL-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419974421 538172085 /nfs/dbraw/zinc/17/20/85/538172085.db2.gz IHJGDZUSULTPLC-CQSZACIVSA-N 0 3 362.430 1.575 20 5 FDBDHN Cc1c(NC(=O)CCN(C)[C@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433154178 538204113 /nfs/dbraw/zinc/20/41/13/538204113.db2.gz SNCMCKWESCSFGZ-CQSZACIVSA-N 0 3 353.419 1.950 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424420812 538294391 /nfs/dbraw/zinc/29/43/91/538294391.db2.gz WTUUTTPMANIEKW-UONOGXRCSA-N 0 3 374.401 1.686 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000428962087 538323411 /nfs/dbraw/zinc/32/34/11/538323411.db2.gz JEZRURAKGSHOFI-IBGZPJMESA-N 0 3 372.425 1.642 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000429096444 538333242 /nfs/dbraw/zinc/33/32/42/538333242.db2.gz DIORQPOKOSFVGM-KGLIPLIRSA-N 0 3 360.418 1.643 20 5 FDBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1F ZINC000458277696 538586528 /nfs/dbraw/zinc/58/65/28/538586528.db2.gz FHEPJZLJRMHJLJ-UHFFFAOYSA-N 0 3 351.338 1.660 20 5 FDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489464556 538815349 /nfs/dbraw/zinc/81/53/49/538815349.db2.gz KMRHFSKOXDEUOS-ILXRZTDVSA-N 0 3 354.403 1.460 20 5 FDBDHN Cc1ccc(C[C@@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563137595 546419918 /nfs/dbraw/zinc/41/99/18/546419918.db2.gz HRCFNRTZOMYESP-FUHWJXTLSA-N 0 3 360.410 1.836 20 5 FDBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000563811228 546694095 /nfs/dbraw/zinc/69/40/95/546694095.db2.gz VMXKQAXSUQMYBC-WCFLWFBJSA-N 0 3 352.309 1.626 20 5 FDBDHN COCCO[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564149580 546823701 /nfs/dbraw/zinc/82/37/01/546823701.db2.gz ZGRJQRZIGRYXMI-LSDHHAIUSA-N 0 3 354.403 1.462 20 5 FDBDHN COc1cc2c(cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)O[C@H](C)C2 ZINC000564852518 547068366 /nfs/dbraw/zinc/06/83/66/547068366.db2.gz MOMCIKDEFSAUSQ-IAQYHMDHSA-N 0 3 362.386 1.274 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2N2CCCCC2)c1 ZINC000565654889 547433550 /nfs/dbraw/zinc/43/35/50/547433550.db2.gz YJNSBCNXURLQCI-KRWDZBQOSA-N 0 3 359.430 1.932 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566664607 547844045 /nfs/dbraw/zinc/84/40/45/547844045.db2.gz DBMPIHUSXCAKQG-UHFFFAOYSA-N 0 3 361.358 1.376 20 5 FDBDHN NC(=O)c1ccnc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000567657577 548198209 /nfs/dbraw/zinc/19/82/09/548198209.db2.gz YEOMJGVRMPAPQU-ZDUSSCGKSA-N 0 3 363.418 1.170 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000567710728 548223576 /nfs/dbraw/zinc/22/35/76/548223576.db2.gz QQGXBSLCQLRLGD-CJNGLKHVSA-N 0 3 354.428 1.916 20 5 FDBDHN COc1cc(CCNC(=O)C(N)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000568756458 548668161 /nfs/dbraw/zinc/66/81/61/548668161.db2.gz RRFPJACEFMFHID-LLVKDONJSA-N 0 3 351.281 1.160 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000573134554 550072459 /nfs/dbraw/zinc/07/24/59/550072459.db2.gz MWPNZRUPAHRSPS-CYBMUJFWSA-N 0 3 357.414 2.282 20 5 FDBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000573249188 550096794 /nfs/dbraw/zinc/09/67/94/550096794.db2.gz YLYAXCDRJFMFDV-GBIKHYSHSA-N 0 3 352.309 1.626 20 5 FDBDHN CCc1[nH]nc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000573906770 550230045 /nfs/dbraw/zinc/23/00/45/550230045.db2.gz WOYLALXWDUGHOS-UHFFFAOYSA-N 0 3 359.390 1.279 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573947405 550236457 /nfs/dbraw/zinc/23/64/57/550236457.db2.gz YOHYZZHLAUYYGX-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN O=C1NCCc2ccc(CNC[C@@H](O)COc3ccccc3[N+](=O)[O-])cc21 ZINC000574751192 550364276 /nfs/dbraw/zinc/36/42/76/550364276.db2.gz OZOAFAGUTVJAEE-OAHLLOKOSA-N 0 3 371.393 1.410 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C3CC[NH2+]CC3)s2)n1 ZINC000574915276 550391783 /nfs/dbraw/zinc/39/17/83/550391783.db2.gz MTJFCMXHVSPOMA-UHFFFAOYSA-N 0 3 350.404 1.987 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575989543 550499043 /nfs/dbraw/zinc/49/90/43/550499043.db2.gz OTTJPNWQWSTHLZ-JOQOYGCGSA-N 0 3 360.414 1.407 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000576598989 550566722 /nfs/dbraw/zinc/56/67/22/550566722.db2.gz MDVMYZFSZLOYIM-CQSZACIVSA-N 0 3 366.418 1.120 20 5 FDBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000578422886 550761703 /nfs/dbraw/zinc/76/17/03/550761703.db2.gz IGEIGIYGIPXVRG-CQSZACIVSA-N 0 3 362.386 1.393 20 5 FDBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2n1 ZINC000579703950 550901543 /nfs/dbraw/zinc/90/15/43/550901543.db2.gz NRUUGELLMOYLBC-CQSZACIVSA-N 0 3 357.370 1.499 20 5 FDBDHN NC(=O)c1ncn(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)c1N ZINC000580574892 550996986 /nfs/dbraw/zinc/99/69/86/550996986.db2.gz PMORLHJCISJOHS-UHFFFAOYSA-N 0 3 374.401 1.188 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)n1 ZINC000581901248 551147292 /nfs/dbraw/zinc/14/72/92/551147292.db2.gz KQPWQNZUOUUBNH-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CCNC2 ZINC000582355143 551211652 /nfs/dbraw/zinc/21/16/52/551211652.db2.gz WSBLPZVTQHEKBN-UHFFFAOYSA-N 0 3 368.393 1.999 20 5 FDBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000582532830 551237263 /nfs/dbraw/zinc/23/72/63/551237263.db2.gz ATLQOLSHYIUZDN-UHFFFAOYSA-N 0 3 366.462 1.947 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000583843182 551409615 /nfs/dbraw/zinc/40/96/15/551409615.db2.gz BIBMBPJDGWOFJO-LBPRGKRZSA-N 0 3 350.419 1.995 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860139 551693942 /nfs/dbraw/zinc/69/39/42/551693942.db2.gz DZECFLLWIRDVAK-KBPBESRZSA-N 0 3 353.806 1.458 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)[C@H]2C1 ZINC000590445113 551785139 /nfs/dbraw/zinc/78/51/39/551785139.db2.gz NOGRPZBVJJHTQG-RISCZKNCSA-N 0 3 351.428 1.455 20 5 FDBDHN COC(=O)c1ccnc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590587178 551795139 /nfs/dbraw/zinc/79/51/39/551795139.db2.gz WYANUKQYZNBROA-STQMWFEESA-N 0 3 366.418 2.078 20 5 FDBDHN Cn1c2cc(NC[C@@H]3CCCN3CCCO)c([N+](=O)[O-])cc2n(C)c1=O ZINC000590707532 551807205 /nfs/dbraw/zinc/80/72/05/551807205.db2.gz CXFCQUWRDWPWKA-LBPRGKRZSA-N 0 3 363.418 1.044 20 5 FDBDHN Cn1c2cc(NC[C@H]3CCCN3CCCO)c([N+](=O)[O-])cc2n(C)c1=O ZINC000590707531 551807335 /nfs/dbraw/zinc/80/73/35/551807335.db2.gz CXFCQUWRDWPWKA-GFCCVEGCSA-N 0 3 363.418 1.044 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000590753047 551812536 /nfs/dbraw/zinc/81/25/36/551812536.db2.gz ZJULJRIBAWMUFU-RTXFEEFZSA-N 0 3 365.386 1.862 20 5 FDBDHN CC[C@H](CN1CCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591742825 551905260 /nfs/dbraw/zinc/90/52/60/551905260.db2.gz IVZOZUCAOQIYDV-CQSZACIVSA-N 0 3 355.460 1.833 20 5 FDBDHN COC(=O)CC1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000593058916 552057135 /nfs/dbraw/zinc/05/71/35/552057135.db2.gz HLXIGQLNLNNENH-UHFFFAOYSA-N 0 3 351.359 1.617 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593080448 552059232 /nfs/dbraw/zinc/05/92/32/552059232.db2.gz KYZVWZODXOWNQB-MRXNPFEDSA-N 0 3 361.402 1.338 20 5 FDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](Cc2ccccc2)C1 ZINC000593090425 552060952 /nfs/dbraw/zinc/06/09/52/552060952.db2.gz XCQHQIJMCDMFET-SFHVURJKSA-N 0 3 356.426 1.615 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593124763 552065093 /nfs/dbraw/zinc/06/50/93/552065093.db2.gz XTIFCMMKMCFQHZ-BHYGNILZSA-N 0 3 364.398 1.466 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593409773 552104204 /nfs/dbraw/zinc/10/42/04/552104204.db2.gz CYZJQQGSXWJZOG-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593468238 552113431 /nfs/dbraw/zinc/11/34/31/552113431.db2.gz PPAPQDKOXSGQJM-UHFFFAOYSA-N 0 3 353.394 1.846 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593468023 552113603 /nfs/dbraw/zinc/11/36/03/552113603.db2.gz RUFHPIMCWASRRM-CQSZACIVSA-N 0 3 366.437 1.666 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000593906508 552223130 /nfs/dbraw/zinc/22/31/30/552223130.db2.gz NOECJBLIDFZWJQ-GJZGRUSLSA-N 0 3 361.377 1.578 20 5 FDBDHN C[C@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000594500373 552326788 /nfs/dbraw/zinc/32/67/88/552326788.db2.gz RUSCTKBCIPDPGV-NWDGAFQWSA-N 0 3 359.473 1.747 20 5 FDBDHN Cn1nnc2c1CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000594512965 552327170 /nfs/dbraw/zinc/32/71/70/552327170.db2.gz FZMOZIVGUOMQSD-SNVBAGLBSA-N 0 3 353.329 1.972 20 5 FDBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594717969 552362937 /nfs/dbraw/zinc/36/29/37/552362937.db2.gz JBUMUYCJUNLCJC-IUODEOHRSA-N 0 3 358.416 1.010 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595107402 552452714 /nfs/dbraw/zinc/45/27/14/552452714.db2.gz YDUBYKGDRRRHEC-GFCCVEGCSA-N 0 3 369.443 1.869 20 5 FDBDHN N[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1cccc(F)c1 ZINC000595225255 552497243 /nfs/dbraw/zinc/49/72/43/552497243.db2.gz LKYOOQRMNKFILI-HZPDHXFCSA-N 0 3 361.377 1.664 20 5 FDBDHN COc1cccc([C@]2(C)CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595765396 552612936 /nfs/dbraw/zinc/61/29/36/552612936.db2.gz KQPFVEPPTOHQHO-FUHWJXTLSA-N 0 3 360.414 1.824 20 5 FDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595850752 552623114 /nfs/dbraw/zinc/62/31/14/552623114.db2.gz ODCQPOKPBKSJPT-GDBMZVCRSA-N 0 3 365.430 1.571 20 5 FDBDHN COc1cc(CN2CCOC3(CNC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000596103214 552655479 /nfs/dbraw/zinc/65/54/79/552655479.db2.gz CWDLASQDEOHTPZ-UHFFFAOYSA-N 0 3 373.356 1.422 20 5 FDBDHN NC(=O)c1cc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596144947 552659650 /nfs/dbraw/zinc/65/96/50/552659650.db2.gz JNEKNFVDUBVBKD-IBGZPJMESA-N 0 3 370.409 1.743 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596325607 552674406 /nfs/dbraw/zinc/67/44/06/552674406.db2.gz CBKFWASXHQHPQM-LLVKDONJSA-N 0 3 356.448 1.788 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596845888 552717294 /nfs/dbraw/zinc/71/72/94/552717294.db2.gz XPCWRDIBKXRFAM-UHFFFAOYSA-N 0 3 367.406 1.087 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597652911 552818101 /nfs/dbraw/zinc/81/81/01/552818101.db2.gz FVJMCXYWLPIJJF-HNNXBMFYSA-N 0 3 373.409 1.826 20 5 FDBDHN COc1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597694566 552823372 /nfs/dbraw/zinc/82/33/72/552823372.db2.gz LHCDNBBOHPRHOC-GOEBONIOSA-N 0 3 363.414 1.468 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000597714820 552825713 /nfs/dbraw/zinc/82/57/13/552825713.db2.gz JVELGHLRZSCQMU-GOSISDBHSA-N 0 3 361.398 1.939 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062554 552862227 /nfs/dbraw/zinc/86/22/27/552862227.db2.gz QVPWMLUOYKZXDF-UHFFFAOYSA-N 0 3 372.429 1.523 20 5 FDBDHN CCc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598183944 552873509 /nfs/dbraw/zinc/87/35/09/552873509.db2.gz CAYCNAOVDKJAAT-UHFFFAOYSA-N 0 3 350.419 1.249 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598193560 552874794 /nfs/dbraw/zinc/87/47/94/552874794.db2.gz CJCLPOLDZRCZLI-QGZVFWFLSA-N 0 3 371.441 1.957 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598195844 552875144 /nfs/dbraw/zinc/87/51/44/552875144.db2.gz UOEMGSQMPYKJCS-INIZCTEOSA-N 0 3 357.414 1.567 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598341433 552887056 /nfs/dbraw/zinc/88/70/56/552887056.db2.gz BKAWZAFTIFRLMM-OLZOCXBDSA-N 0 3 352.439 1.428 20 5 FDBDHN CC1CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598589475 552912181 /nfs/dbraw/zinc/91/21/81/552912181.db2.gz GIXMFYUWEOAKEN-UHFFFAOYSA-N 0 3 350.423 1.365 20 5 FDBDHN CC[C@H]1CCCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596722 552913037 /nfs/dbraw/zinc/91/30/37/552913037.db2.gz UTILPYZGDNFMPO-AWEZNQCLSA-N 0 3 364.450 1.898 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599412870 553050675 /nfs/dbraw/zinc/05/06/75/553050675.db2.gz PTDSFDSNMIGXFB-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599412871 553050822 /nfs/dbraw/zinc/05/08/22/553050822.db2.gz PTDSFDSNMIGXFB-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN O=C(CCN1CCC(N2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599472123 553067236 /nfs/dbraw/zinc/06/72/36/553067236.db2.gz OWSAUYMBWFOKMA-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000599570579 553091565 /nfs/dbraw/zinc/09/15/65/553091565.db2.gz RYFYNVAATTZFOQ-QGZVFWFLSA-N 0 3 365.386 1.496 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585289 553095907 /nfs/dbraw/zinc/09/59/07/553095907.db2.gz FAANAVNMAJBWLX-YUELXQCFSA-N 0 3 368.434 1.452 20 5 FDBDHN COC(=O)[C@](C)(NC[C@@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599655727 553114604 /nfs/dbraw/zinc/11/46/04/553114604.db2.gz WSDYWWAYXXVHBA-NVXWUHKLSA-N 0 3 351.403 1.028 20 5 FDBDHN COC(=O)C1C[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599688314 553121798 /nfs/dbraw/zinc/12/17/98/553121798.db2.gz CIYDUMOHHFOOOT-HEHGZKQESA-N 0 3 366.414 1.997 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000599835614 553158197 /nfs/dbraw/zinc/15/81/97/553158197.db2.gz XCLBETILFBLLFB-NWDGAFQWSA-N 0 3 357.370 1.426 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007713 553198576 /nfs/dbraw/zinc/19/85/76/553198576.db2.gz YMKSMXLQYCINFF-UHFFFAOYSA-N 0 3 365.434 1.597 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007713 553198577 /nfs/dbraw/zinc/19/85/77/553198577.db2.gz YMKSMXLQYCINFF-UHFFFAOYSA-N 0 3 365.434 1.597 20 5 FDBDHN COC[C@]1(C(=O)OC(C)(C)C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602962419 553682058 /nfs/dbraw/zinc/68/20/58/553682058.db2.gz SRUGRWWPMRDILA-INIZCTEOSA-N 0 3 354.407 1.472 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000603384632 553776635 /nfs/dbraw/zinc/77/66/35/553776635.db2.gz SAPQDXSJDORNHG-UHFFFAOYSA-N 0 3 357.407 1.840 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000604511322 553882420 /nfs/dbraw/zinc/88/24/20/553882420.db2.gz VLMOCLVCFMJARB-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000609347435 554370622 /nfs/dbraw/zinc/37/06/22/554370622.db2.gz JHKONQUMGHMMLQ-UHFFFAOYSA-N 0 3 367.450 1.532 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000609354289 554371866 /nfs/dbraw/zinc/37/18/66/554371866.db2.gz OQACPLDBVFWFLN-TXEJJXNPSA-N 0 3 356.448 1.917 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609514052 554385634 /nfs/dbraw/zinc/38/56/34/554385634.db2.gz VIVWGYNGKUVNOZ-QWHCGFSZSA-N 0 3 364.402 1.393 20 5 FDBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335725 554492801 /nfs/dbraw/zinc/49/28/01/554492801.db2.gz VNMNRKVRQCSKRW-QGZVFWFLSA-N 0 3 373.413 1.176 20 5 FDBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000611132778 554608587 /nfs/dbraw/zinc/60/85/87/554608587.db2.gz LXCYZMUTDZIPCY-NSHDSACASA-N 0 3 359.224 1.909 20 5 FDBDHN CCOc1ccc([C@H](C)NCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611248107 554619391 /nfs/dbraw/zinc/61/93/91/554619391.db2.gz VALFAJZAWSRCKI-LBPRGKRZSA-N 0 3 359.448 1.926 20 5 FDBDHN CN1CCCN(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000615698785 555230065 /nfs/dbraw/zinc/23/00/65/555230065.db2.gz RKXJGBFKFUWBRB-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2ccc(Br)cc2)n1 ZINC000273142549 674510766 /nfs/dbraw/zinc/51/07/66/674510766.db2.gz UULADTZJCASSQM-GFCCVEGCSA-N 0 3 355.192 1.877 20 5 FDBDHN Cc1cnc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000277266367 674903173 /nfs/dbraw/zinc/90/31/73/674903173.db2.gz AEFOLCBXQURSAG-CQSZACIVSA-N 0 3 351.432 1.797 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000267471754 673307312 /nfs/dbraw/zinc/30/73/12/673307312.db2.gz OTCWEBPGXHRVSQ-LLVKDONJSA-N 0 3 372.219 1.760 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279233658 675262121 /nfs/dbraw/zinc/26/21/21/675262121.db2.gz PHJVKWNBGBQOIE-UHFFFAOYSA-N 0 3 353.398 1.074 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[C@H]2C1 ZINC000293799082 676365770 /nfs/dbraw/zinc/36/57/70/676365770.db2.gz DGUAFMGRFMURKK-NWDGAFQWSA-N 0 3 351.407 1.377 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN([C@@H](C)CO)CC1 ZINC000364953987 677340516 /nfs/dbraw/zinc/34/05/16/677340516.db2.gz IUSDUYROOLMOMA-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000365769611 677380251 /nfs/dbraw/zinc/38/02/51/677380251.db2.gz NQKGSKPEWSGNGN-LLVKDONJSA-N 0 3 373.812 1.845 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000376549042 678332756 /nfs/dbraw/zinc/33/27/56/678332756.db2.gz UBIZECKLXHPBEY-STQMWFEESA-N 0 3 352.387 1.466 20 5 FDBDHN Cc1ncc(CN2CC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000378318507 678739394 /nfs/dbraw/zinc/73/93/94/678739394.db2.gz MKDJHJOKSKROMH-SKDRFNHKSA-N 0 3 364.431 1.723 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000378319378 678740071 /nfs/dbraw/zinc/74/00/71/678740071.db2.gz RQGKVZQEGBQPAC-STQMWFEESA-N 0 3 352.460 1.754 20 5 FDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413504877 679275005 /nfs/dbraw/zinc/27/50/05/679275005.db2.gz UPYVDGGBJMJESM-JTQLQIEISA-N 0 3 359.329 1.737 20 5 FDBDHN CCCN(CC)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474189505 685378106 /nfs/dbraw/zinc/37/81/06/685378106.db2.gz NWGUGZHZXITGFI-UHFFFAOYSA-N 0 3 373.431 1.376 20 5 FDBDHN CC(C)NS(=O)(=O)NCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083153 681172222 /nfs/dbraw/zinc/17/22/22/681172222.db2.gz NALNJLVEIAPIBY-HNNXBMFYSA-N 0 3 370.475 1.739 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](OC)[C@H](OC)C1 ZINC000488039057 687023830 /nfs/dbraw/zinc/02/38/30/687023830.db2.gz IPCKNTSGXAOYBY-HUUCEWRRSA-N 0 3 353.375 1.278 20 5 FDBDHN C[C@@H]1C[C@@H]1N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000488748585 687056385 /nfs/dbraw/zinc/05/63/85/687056385.db2.gz CFHVRDUUSTVFNP-SCRDCRAPSA-N 0 3 368.459 1.409 20 5 FDBDHN C[C@H]1C[C@H]1N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000488748588 687056398 /nfs/dbraw/zinc/05/63/98/687056398.db2.gz CFHVRDUUSTVFNP-SGMGOOAPSA-N 0 3 368.459 1.409 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498912835 687878223 /nfs/dbraw/zinc/87/82/23/687878223.db2.gz FPJMJVKKBQMQNL-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000516774219 689989223 /nfs/dbraw/zinc/98/92/23/689989223.db2.gz IXUJNXSGDYGLNO-CZUORRHYSA-N 0 3 371.459 1.356 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000516774217 689989272 /nfs/dbraw/zinc/98/92/72/689989272.db2.gz IXUJNXSGDYGLNO-BBRMVZONSA-N 0 3 371.459 1.356 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000521227896 690397103 /nfs/dbraw/zinc/39/71/03/690397103.db2.gz AHXAQONMYUPYCO-NSHDSACASA-N 0 3 371.191 1.410 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524591371 694568683 /nfs/dbraw/zinc/56/86/83/694568683.db2.gz GLJWAFCEBOBVJQ-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164623168 719132148 /nfs/dbraw/zinc/13/21/48/719132148.db2.gz RJAHGRWOLCBNAU-QMMMGPOBSA-N 0 3 350.709 1.139 20 5 FDBDHN Nc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164867211 721105002 /nfs/dbraw/zinc/10/50/02/721105002.db2.gz WXXMBSLXHGXKFW-HUUCEWRRSA-N 0 3 370.413 1.447 20 5 FDBDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000511113990 782714853 /nfs/dbraw/zinc/71/48/53/782714853.db2.gz FRCPTXMJHHHCST-GOEBONIOSA-N 0 3 360.414 1.948 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359956488 771281736 /nfs/dbraw/zinc/28/17/36/771281736.db2.gz LGMUYYYEBQKFQJ-HUUCEWRRSA-N 0 3 360.414 1.762 20 5 FDBDHN CN1CC[C@H]1CNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934036475 780653163 /nfs/dbraw/zinc/65/31/63/780653163.db2.gz IBQSXOWTXRLNJD-AWEZNQCLSA-N 0 3 362.434 1.172 20 5 FDBDHN Cn1c(C(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000479962152 783296181 /nfs/dbraw/zinc/29/61/81/783296181.db2.gz IOFCBYZVYBKTKN-UHFFFAOYSA-N 0 3 372.425 1.820 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H](N2CC=CC2)C1 ZINC000278801950 787344494 /nfs/dbraw/zinc/34/44/94/787344494.db2.gz XTTIPIHEHHNCFZ-CYBMUJFWSA-N 0 3 356.386 1.627 20 5 FDBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000412146847 792318897 /nfs/dbraw/zinc/31/88/97/792318897.db2.gz LPFLLNWQFAFQJX-JCGIZDLHSA-N 0 3 360.458 1.698 20 5 FDBDHN Cc1cccnc1NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365783928 794029569 /nfs/dbraw/zinc/02/95/69/794029569.db2.gz FBFRYUBRAURAFK-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000725895549 794813017 /nfs/dbraw/zinc/81/30/17/794813017.db2.gz IXFGHKYEDPEWOH-CABCVRRESA-N 0 3 371.397 1.374 20 5 FDBDHN C[C@@]1(CO)CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759891917 796061548 /nfs/dbraw/zinc/06/15/48/796061548.db2.gz CTHAJFDXYNQEJU-SFHVURJKSA-N 0 3 362.430 1.090 20 5 FDBDHN O=C(C(=O)N1CCCNCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423616692 815161508 /nfs/dbraw/zinc/16/15/08/815161508.db2.gz WUCTYGUSTFLHQB-OAHLLOKOSA-N 0 3 360.414 1.123 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000500752691 809484286 /nfs/dbraw/zinc/48/42/86/809484286.db2.gz XDFJNJQOMJQWDT-UHFFFAOYSA-N 0 3 358.398 1.959 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000419266787 810279799 /nfs/dbraw/zinc/27/97/99/810279799.db2.gz HPOKRHNXLSIOLF-CJNGLKHVSA-N 0 3 370.409 1.897 20 5 FDBDHN COC(=O)C1CCN(CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420592406 813748444 /nfs/dbraw/zinc/74/84/44/813748444.db2.gz YUEZKMIEVOPXAW-UHFFFAOYSA-N 0 3 364.402 1.381 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])c1 ZINC000421042383 813928216 /nfs/dbraw/zinc/92/82/16/813928216.db2.gz ZMGFBCJSRCQQLX-GFCCVEGCSA-N 0 3 367.402 1.716 20 5 FDBDHN CN1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000367088957 814318561 /nfs/dbraw/zinc/31/85/61/814318561.db2.gz FUXIASPRGVFHFU-OAHLLOKOSA-N 0 3 358.402 1.036 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(OC3CCCC3)c2)c1 ZINC000519545662 818084280 /nfs/dbraw/zinc/08/42/80/818084280.db2.gz VSKDKOXTNDTEII-HNNXBMFYSA-N 0 3 361.402 1.658 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440923049 828401975 /nfs/dbraw/zinc/40/19/75/828401975.db2.gz FHMQVENPFIATMS-QKCSRTOESA-N 0 3 364.450 1.569 20 5 FDBDHN Cc1c(C(=O)NCCN2CC[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000524775432 828440743 /nfs/dbraw/zinc/44/07/43/828440743.db2.gz MMMBTDUHKZETDT-LBPRGKRZSA-N 0 3 358.402 1.556 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444455538 828102193 /nfs/dbraw/zinc/10/21/93/828102193.db2.gz TYVKWANZJKNBIK-UHFFFAOYSA-N 0 3 359.386 1.387 20 5 FDBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CN2CCC1CC2 ZINC000448951598 829309325 /nfs/dbraw/zinc/30/93/25/829309325.db2.gz CJLKIDRFAQJTJU-KRWDZBQOSA-N 0 3 355.398 1.947 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000912054970 859271301 /nfs/dbraw/zinc/27/13/01/859271301.db2.gz WKYGFIHUCVDBIH-UONOGXRCSA-N 0 3 353.806 1.458 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760867641 863367123 /nfs/dbraw/zinc/36/71/23/863367123.db2.gz RRAKLTOBDADNQO-CYBMUJFWSA-N 0 3 358.192 1.154 20 5 FDBDHN CNc1c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000462770805 868192492 /nfs/dbraw/zinc/19/24/92/868192492.db2.gz YZYTXGRTRZFGMG-UHFFFAOYSA-N 0 3 359.386 1.612 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000918465652 884516594 /nfs/dbraw/zinc/51/65/94/884516594.db2.gz QRUDMROXIPEMLQ-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN Cc1nc(C)c(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)o1 ZINC001034816332 885145827 /nfs/dbraw/zinc/14/58/27/885145827.db2.gz NDKFISQHUXICQP-HZPDHXFCSA-N 0 3 358.398 1.863 20 5 FDBDHN CN1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccnc1 ZINC000377973316 887653459 /nfs/dbraw/zinc/65/34/59/887653459.db2.gz AVGSUMKQZDVHPF-GUYCJALGSA-N 0 3 353.386 2.137 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000923274576 888700022 /nfs/dbraw/zinc/70/00/22/888700022.db2.gz MADFJAHKNBCBMT-OGHNNQOOSA-N 0 3 358.398 1.783 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](C[C@@H]3COCCN3)c3ccccc32)c1 ZINC000923543645 889697186 /nfs/dbraw/zinc/69/71/86/889697186.db2.gz WMLRKFSULIQFJG-LSDHHAIUSA-N 0 3 357.414 1.774 20 5 FDBDHN Cn1ccnc1[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376430664 901374218 /nfs/dbraw/zinc/37/42/18/901374218.db2.gz YMGXFWYDEULDNB-CABCVRRESA-N 0 3 360.414 1.948 20 5 FDBDHN CN(C)C(=O)c1cccnc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036108 928232081 /nfs/dbraw/zinc/23/20/81/928232081.db2.gz FJEPRZVVBYMWHE-LSDHHAIUSA-N 0 3 361.446 1.351 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN(C2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169043515 928236372 /nfs/dbraw/zinc/23/63/72/928236372.db2.gz GXVSGSXKJDEWLT-HUUCEWRRSA-N 0 3 368.478 1.669 20 5 FDBDHN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044559 928236510 /nfs/dbraw/zinc/23/65/10/928236510.db2.gz IGZLEPZRJRVRBB-GBJTYRQASA-N 0 3 350.419 1.884 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787996023 932508705 /nfs/dbraw/zinc/50/87/05/932508705.db2.gz PWPIFMASMMXNAO-JQWIXIFHSA-N 0 3 354.794 1.691 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000788962648 932891475 /nfs/dbraw/zinc/89/14/75/932891475.db2.gz FSOVTZZYFJWHAQ-QGZVFWFLSA-N 0 3 364.354 1.737 20 5 FDBDHN Cc1nn(C)c(C(=O)OCCCN2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000791780494 934146246 /nfs/dbraw/zinc/14/62/46/934146246.db2.gz WVNUHXJNZFGKKV-UHFFFAOYSA-N 0 3 353.423 1.210 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001170451503 938437797 /nfs/dbraw/zinc/43/77/97/938437797.db2.gz KRVSLIYDZFDKBP-UONOGXRCSA-N 0 3 356.382 1.038 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](CO)CN(C)C)CC1 ZINC000808174019 940528171 /nfs/dbraw/zinc/52/81/71/940528171.db2.gz PAPRVMNZSMVKMV-AWEZNQCLSA-N 0 3 364.446 1.483 20 5 FDBDHN O=[N+]([O-])c1nn(CN2CCN(C3CCOCC3)CC2)cc1Br ZINC000747471396 940534579 /nfs/dbraw/zinc/53/45/79/940534579.db2.gz KIKQOOIKPFKIJZ-UHFFFAOYSA-N 0 3 374.239 1.308 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813103235 941326564 /nfs/dbraw/zinc/32/65/64/941326564.db2.gz BAHWVFSEQHHJST-LBPRGKRZSA-N 0 3 366.395 1.717 20 5 FDBDHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106701 941333814 /nfs/dbraw/zinc/33/38/14/941333814.db2.gz GOINHCVVSQFNIJ-ZFWWWQNUSA-N 0 3 372.443 1.896 20 5 FDBDHN CC(COC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107976 941333870 /nfs/dbraw/zinc/33/38/70/941333870.db2.gz SKAQCOWKSBVYOG-VXGBXAGGSA-N 0 3 373.406 1.101 20 5 FDBDHN CC(COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813110800 941334850 /nfs/dbraw/zinc/33/48/50/941334850.db2.gz JTIJBQYAOQTVOF-NSHDSACASA-N 0 3 373.383 1.220 20 5 FDBDHN CC(COC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[N+](=O)[O-] ZINC000813109684 941334864 /nfs/dbraw/zinc/33/48/64/941334864.db2.gz NOJXXYSHMARTJV-SNVBAGLBSA-N 0 3 365.411 1.935 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813113750 941336402 /nfs/dbraw/zinc/33/64/02/941336402.db2.gz UQDGJCJCGJTYCK-UONOGXRCSA-N 0 3 370.427 1.604 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000817676336 942904226 /nfs/dbraw/zinc/90/42/26/942904226.db2.gz DWSWELCDIFZHAF-LLVKDONJSA-N 0 3 352.366 1.859 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCNS(=O)(=O)c2ccccc2)c1 ZINC000818948272 943358929 /nfs/dbraw/zinc/35/89/29/943358929.db2.gz OIQROCVSKZYQIA-MRXNPFEDSA-N 0 3 365.411 1.196 20 5 FDBDHN CN1CCN(c2ncccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980275 943369357 /nfs/dbraw/zinc/36/93/57/943369357.db2.gz BEXPUVRXZZGIBB-SFHVURJKSA-N 0 3 371.441 1.565 20 5 FDBDHN Cc1cc(S(N)(=O)=O)ccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819267029 943519050 /nfs/dbraw/zinc/51/90/50/943519050.db2.gz IOGQWLRJSNZWSE-MRXNPFEDSA-N 0 3 365.411 1.374 20 5 FDBDHN O=[N+]([O-])c1cnn(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000844727347 948335150 /nfs/dbraw/zinc/33/51/50/948335150.db2.gz GIQDZJQYSNOTJY-ZWKOTPCHSA-N 0 3 357.414 1.724 20 5 FDBDHN C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000845224945 948830164 /nfs/dbraw/zinc/83/01/64/948830164.db2.gz PLESREUROYUMLS-ZDUSSCGKSA-N 0 3 363.418 1.071 20 5 FDBDHN CC(=O)c1cn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845883267 950064213 /nfs/dbraw/zinc/06/42/13/950064213.db2.gz RGZBUKUOIOOSTN-RFAUZJTJSA-N 0 3 350.306 1.570 20 5 FDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC001197844918 972469012 /nfs/dbraw/zinc/46/90/12/972469012.db2.gz PTVHZQHLNOAUOT-WWGRRREGSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@]2(C)CCS(=O)(=O)C2)c1F ZINC001173187501 961956564 /nfs/dbraw/zinc/95/65/64/961956564.db2.gz DSLHDVNGBKLHGN-ZUZCIYMTSA-N 0 3 360.407 1.840 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]3CNC(=O)[C@H]3C2)c1F ZINC001173195269 961959581 /nfs/dbraw/zinc/95/95/81/961959581.db2.gz DVUIKPKTPYMBQA-GVXVVHGQSA-N 0 3 351.378 1.741 20 5 FDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001184057461 963425626 /nfs/dbraw/zinc/42/56/26/963425626.db2.gz VCAQVMGYTDFJIT-IDKOKKFVSA-N 0 3 353.444 1.855 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001176832857 963563860 /nfs/dbraw/zinc/56/38/60/963563860.db2.gz KOZFOIHVSXDTPL-OAHLLOKOSA-N 0 3 365.386 1.470 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001176832856 963564076 /nfs/dbraw/zinc/56/40/76/963564076.db2.gz KOZFOIHVSXDTPL-HNNXBMFYSA-N 0 3 365.386 1.470 20 5 FDBDHN CCN1C[C@@H](NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C(C)(C)C1 ZINC001178861053 964534721 /nfs/dbraw/zinc/53/47/21/964534721.db2.gz QTNALERDPUCICH-CYBMUJFWSA-N 0 3 358.402 1.636 20 5 FDBDHN CN(C)CCCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001194877393 970491756 /nfs/dbraw/zinc/49/17/56/970491756.db2.gz FDKCMHIRHLCXHZ-UHFFFAOYSA-N 0 3 369.447 1.275 20 5 FDBDHN COC(=O)C1([C@]2(O)CCCN(CCn3c(C)ncc3[N+](=O)[O-])C2)CCC1 ZINC001198132667 972772617 /nfs/dbraw/zinc/77/26/17/972772617.db2.gz ZRGQOCHVPSOEGD-KRWDZBQOSA-N 0 3 366.418 1.270 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000863585135 973034966 /nfs/dbraw/zinc/03/49/66/973034966.db2.gz RGYUFQVDGMOUQP-RBUKOAKNSA-N 0 3 372.425 1.514 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865499501 974327823 /nfs/dbraw/zinc/32/78/23/974327823.db2.gz PIGFKAXSQVCDEX-HNNXBMFYSA-N 0 3 368.409 1.581 20 5 FDBDHN CN1CCN(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000866215086 975493520 /nfs/dbraw/zinc/49/35/20/975493520.db2.gz TZYINOPQIBFZOO-UHFFFAOYSA-N 0 3 350.448 1.520 20 5 FDBDHN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(CCN(C)C)C(=O)C3)c2c1 ZINC000884544919 983234817 /nfs/dbraw/zinc/23/48/17/983234817.db2.gz TYDLVSCMUDZHMA-UHFFFAOYSA-N 0 3 373.413 1.362 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CC=C(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000862466863 984397387 /nfs/dbraw/zinc/39/73/87/984397387.db2.gz RKTBPVMCJJASNJ-CYBMUJFWSA-N 0 3 364.354 1.498 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCN1C1CCOCC1 ZINC000885865877 985723092 /nfs/dbraw/zinc/72/30/92/985723092.db2.gz NMLHZIYLODRLFO-ZDUSSCGKSA-N 0 3 367.377 1.482 20 5 FDBDHN Nc1c(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575903 987453821 /nfs/dbraw/zinc/45/38/21/987453821.db2.gz TWFRWJLHCXRDET-WDEREUQCSA-N 0 3 369.809 1.815 20 5 FDBDHN O=C(CCN1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292905353 987928708 /nfs/dbraw/zinc/92/87/08/987928708.db2.gz GVXJFKFOZTYSMB-CQSZACIVSA-N 0 3 374.401 1.344 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872780159 988051107 /nfs/dbraw/zinc/05/11/07/988051107.db2.gz KCAONBVFOAXVLL-QWHCGFSZSA-N 0 3 354.432 1.176 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825643482 988365321 /nfs/dbraw/zinc/36/53/21/988365321.db2.gz BXLLKLKPCLPQKE-RYUDHWBXSA-N 0 3 366.393 1.393 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000366197897 988531377 /nfs/dbraw/zinc/53/13/77/988531377.db2.gz CWXQGQGWLYMFBT-ZIAGYGMSSA-N 0 3 362.430 1.951 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363088605 988912459 /nfs/dbraw/zinc/91/24/59/988912459.db2.gz NFFIHNPLJPTJDM-OAHLLOKOSA-N 0 3 364.377 1.288 20 5 FDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363718058 989406985 /nfs/dbraw/zinc/40/69/85/989406985.db2.gz IGXJDCZTMOCRIB-ZDUSSCGKSA-N 0 3 364.358 1.486 20 5 FDBDHN O=C(CCN1CCN([C@H]2CCC[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363728729 989412653 /nfs/dbraw/zinc/41/26/53/989412653.db2.gz PACPYDXTUYITDF-IRXDYDNUSA-N 0 3 362.430 1.454 20 5 FDBDHN CC(C)C(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298549189 990153487 /nfs/dbraw/zinc/15/34/87/990153487.db2.gz FZUBQJQXFAMPRG-INIZCTEOSA-N 0 3 365.430 1.571 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000876471596 992630847 /nfs/dbraw/zinc/63/08/47/992630847.db2.gz DLTDBEDTFVHAHH-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000876473033 992638036 /nfs/dbraw/zinc/63/80/36/992638036.db2.gz PMYAINKJGBPLNB-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889752715 998596759 /nfs/dbraw/zinc/59/67/59/998596759.db2.gz YEXUHYDTXAPNKI-IAGOWNOFSA-N 0 3 361.442 1.930 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287934011 999973939 /nfs/dbraw/zinc/97/39/39/999973939.db2.gz XLRTWZMNZJWHCO-GFCCVEGCSA-N 0 3 373.413 1.933 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](CO)CN1CCCCC1 ZINC000288451093 1000018448 /nfs/dbraw/zinc/01/84/48/1000018448.db2.gz JIRLWGMHIQDQNL-AWEZNQCLSA-N 0 3 360.414 1.582 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000928441220 1001523041 /nfs/dbraw/zinc/52/30/41/1001523041.db2.gz DISRFFPAACYDCT-IJLUTSLNSA-N 0 3 366.443 1.470 20 5 FDBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000931612501 1004318444 /nfs/dbraw/zinc/31/84/44/1004318444.db2.gz XUAJPPHJWBFTEM-UONOGXRCSA-N 0 3 352.366 1.797 20 5 FDBDHN O=C1NC[C@H](O)CC12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000932841337 1005210536 /nfs/dbraw/zinc/21/05/36/1005210536.db2.gz JIKSJEHDUYGKEW-CYBMUJFWSA-N 0 3 353.806 1.711 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC000192231939 178104691 /nfs/dbraw/zinc/10/46/91/178104691.db2.gz CHXWGRMIWUHIQE-CQSZACIVSA-N 0 3 359.386 1.339 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000192231939 178104693 /nfs/dbraw/zinc/10/46/93/178104693.db2.gz CHXWGRMIWUHIQE-CQSZACIVSA-N 0 3 359.386 1.339 20 5 FDBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193414962 178162204 /nfs/dbraw/zinc/16/22/04/178162204.db2.gz CGTXRQGPUDOVQD-KCJUWKMLSA-N 0 3 367.349 1.890 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000193990047 178192138 /nfs/dbraw/zinc/19/21/38/178192138.db2.gz AARVTKULTBLQDX-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281231 178204660 /nfs/dbraw/zinc/20/46/60/178204660.db2.gz RGBGTPYLWSHGPE-SFHVURJKSA-N 0 3 354.410 1.813 20 5 FDBDHN CC(C)C[C@](C)(CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236704651 178280058 /nfs/dbraw/zinc/28/00/58/178280058.db2.gz CTHMCXSUTHSJGG-OAHLLOKOSA-N 0 3 357.432 1.492 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245606815 178369997 /nfs/dbraw/zinc/36/99/97/178369997.db2.gz YRCBZTYULDBQIA-BZUAXINKSA-N 0 3 364.446 1.330 20 5 FDBDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000513270191 538991837 /nfs/dbraw/zinc/99/18/37/538991837.db2.gz ATNOZEYWTQVPIH-INIZCTEOSA-N 0 3 367.450 1.265 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264089266 179026317 /nfs/dbraw/zinc/02/63/17/179026317.db2.gz RSYXUYDMPUUDSS-UHFFFAOYSA-N 0 3 362.430 1.150 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264540199 179131575 /nfs/dbraw/zinc/13/15/75/179131575.db2.gz PHKUEIWTYGDNMN-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN CN(C)[C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000264707316 179174065 /nfs/dbraw/zinc/17/40/65/179174065.db2.gz JZRJONCQODJAJN-NSHDSACASA-N 0 3 350.375 1.288 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000264751740 179189078 /nfs/dbraw/zinc/18/90/78/179189078.db2.gz LSFOBJFLZDFJHN-UHFFFAOYSA-N 0 3 364.421 1.834 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000264899267 179234276 /nfs/dbraw/zinc/23/42/76/179234276.db2.gz LCCYBWXLMDRNQX-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264932764 179244033 /nfs/dbraw/zinc/24/40/33/179244033.db2.gz SRXSESSHTGNOLK-UHFFFAOYSA-N 0 3 366.393 1.264 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000265515651 179396426 /nfs/dbraw/zinc/39/64/26/179396426.db2.gz GZDGCXZNESAFCN-CYBMUJFWSA-N 0 3 351.407 1.027 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268197435 180022053 /nfs/dbraw/zinc/02/20/53/180022053.db2.gz NYFFNTZDOOJEEF-BLLLJJGKSA-N 0 3 360.414 1.314 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000268217214 180027552 /nfs/dbraw/zinc/02/75/52/180027552.db2.gz PSQAOWLHPZWSMC-FZMZJTMJSA-N 0 3 356.386 1.388 20 5 FDBDHN CN1CCN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268517285 180103035 /nfs/dbraw/zinc/10/30/35/180103035.db2.gz YRWXUISSLYSWLI-UHFFFAOYSA-N 0 3 358.240 1.802 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269082203 180211351 /nfs/dbraw/zinc/21/13/51/180211351.db2.gz GHAHMYGJXYJQOQ-GXTWGEPZSA-N 0 3 368.459 1.423 20 5 FDBDHN CCN(CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000274452581 181097599 /nfs/dbraw/zinc/09/75/99/181097599.db2.gz VQIZCGSMAVBFMA-UHFFFAOYSA-N 0 3 362.333 1.632 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274562144 181122739 /nfs/dbraw/zinc/12/27/39/181122739.db2.gz DBTBAAUQUCZQJX-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN CNC(=O)c1ccc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000274696743 181148557 /nfs/dbraw/zinc/14/85/57/181148557.db2.gz SLMDIAZVBPTMDD-HOTGVXAUSA-N 0 3 364.471 1.970 20 5 FDBDHN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000532398057 540159364 /nfs/dbraw/zinc/15/93/64/540159364.db2.gz BRQXWSDGMFIUBY-UHFFFAOYSA-N 0 3 353.331 1.926 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])n1 ZINC000533179789 540210948 /nfs/dbraw/zinc/21/09/48/540210948.db2.gz GGAIEOIHYXZKKU-UHFFFAOYSA-N 0 3 373.479 1.744 20 5 FDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000533397910 540242165 /nfs/dbraw/zinc/24/21/65/540242165.db2.gz DAHWBBKYFKPOCB-LLVKDONJSA-N 0 3 351.359 1.427 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000535982960 540533428 /nfs/dbraw/zinc/53/34/28/540533428.db2.gz DGTPJWUIWQSJST-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN Cc1ccc([C@@H](CN2CCOCC2)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539242792 540939230 /nfs/dbraw/zinc/93/92/30/540939230.db2.gz BORGEGHSXOBQIO-GOSISDBHSA-N 0 3 359.430 1.763 20 5 FDBDHN CC(C)[C@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000540710917 541090641 /nfs/dbraw/zinc/09/06/41/541090641.db2.gz PWOKSHKHQNXETF-DZGCQCFKSA-N 0 3 371.459 1.666 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541012205 541135502 /nfs/dbraw/zinc/13/55/02/541135502.db2.gz UDUJAWQNWBSVNN-UHFFFAOYSA-N 0 3 372.372 1.516 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025296 541138408 /nfs/dbraw/zinc/13/84/08/541138408.db2.gz XZMIYWHNVLHBHR-UONOGXRCSA-N 0 3 374.319 1.494 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000541815692 541271327 /nfs/dbraw/zinc/27/13/27/541271327.db2.gz MGBIWJLFKQPHNG-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000542080853 541332411 /nfs/dbraw/zinc/33/24/11/541332411.db2.gz OSGFFTPDGXAWHE-INIZCTEOSA-N 0 3 360.414 1.186 20 5 FDBDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000275618722 181369657 /nfs/dbraw/zinc/36/96/57/181369657.db2.gz MKBAVONFVBUWGS-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000542506450 541417716 /nfs/dbraw/zinc/41/77/16/541417716.db2.gz QKAGPOWBABVOBZ-HNNXBMFYSA-N 0 3 372.429 1.893 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000543009961 541518879 /nfs/dbraw/zinc/51/88/79/541518879.db2.gz LYYVAQPOHIJLDL-OAHLLOKOSA-N 0 3 360.414 1.328 20 5 FDBDHN Cn1c(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000543957312 541690606 /nfs/dbraw/zinc/69/06/06/541690606.db2.gz YYQZMWRZBGOMCK-INIZCTEOSA-N 0 3 372.425 1.820 20 5 FDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(F)ccc1[N+](=O)[O-] ZINC000282475785 182018297 /nfs/dbraw/zinc/01/82/97/182018297.db2.gz LOZSNMSZYQRHNW-GXFFZTMASA-N 0 3 366.393 1.779 20 5 FDBDHN CN(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000283052293 182098267 /nfs/dbraw/zinc/09/82/67/182098267.db2.gz VYUNNOHHYQLCCU-AWEZNQCLSA-N 0 3 351.794 1.864 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000545880623 542036147 /nfs/dbraw/zinc/03/61/47/542036147.db2.gz METZLRIBFPFMCP-HNNXBMFYSA-N 0 3 357.794 1.200 20 5 FDBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000546035552 542081132 /nfs/dbraw/zinc/08/11/32/542081132.db2.gz BRDYOORHGGPTHS-UONOGXRCSA-N 0 3 362.430 1.704 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000546271771 542136785 /nfs/dbraw/zinc/13/67/85/542136785.db2.gz FPWDGVZWYZTFIF-UHFFFAOYSA-N 0 3 358.358 1.830 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CCN(C)CC1 ZINC000286305629 183035161 /nfs/dbraw/zinc/03/51/61/183035161.db2.gz YTGKSMHOLSWUPL-UHFFFAOYSA-N 0 3 350.419 1.739 20 5 FDBDHN COc1ccc(CSCC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000546588089 542174432 /nfs/dbraw/zinc/17/44/32/542174432.db2.gz GMTZDTORPPMJRC-MRXNPFEDSA-N 0 3 369.443 1.019 20 5 FDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000287331153 183265654 /nfs/dbraw/zinc/26/56/54/183265654.db2.gz VNWVYDAYRYDWNN-CXAGYDPISA-N 0 3 370.413 1.874 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294719327 184003664 /nfs/dbraw/zinc/00/36/64/184003664.db2.gz BSJAFYOSWRBOKL-CYBMUJFWSA-N 0 3 369.443 1.564 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000295638282 184090378 /nfs/dbraw/zinc/09/03/78/184090378.db2.gz AXXKVKFDHRZJAH-OAHLLOKOSA-N 0 3 365.430 1.635 20 5 FDBDHN COC(=O)Cc1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000296536948 184176167 /nfs/dbraw/zinc/17/61/67/184176167.db2.gz NOPANZQGIJTUGI-AWEZNQCLSA-N 0 3 351.403 1.569 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@H](C)CN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000552886643 543532443 /nfs/dbraw/zinc/53/24/43/543532443.db2.gz ZTFBRNNOERLGDM-LBPRGKRZSA-N 0 3 373.413 1.377 20 5 FDBDHN NC(=O)c1cccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553143597 543575754 /nfs/dbraw/zinc/57/57/54/543575754.db2.gz PSBRMGOZAIIIDJ-HUUCEWRRSA-N 0 3 370.409 1.741 20 5 FDBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090519776 172265610 /nfs/dbraw/zinc/26/56/10/172265610.db2.gz IGYTWDWVVPDWSO-HUUCEWRRSA-N 0 3 364.446 1.773 20 5 FDBDHN CN1CCN(c2ncc(CNCCc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000134285112 173321677 /nfs/dbraw/zinc/32/16/77/173321677.db2.gz NNCAJNMRABCJBS-UHFFFAOYSA-N 0 3 356.430 1.469 20 5 FDBDHN COCCN(C)CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135858657 173353785 /nfs/dbraw/zinc/35/37/85/173353785.db2.gz IUIYJKQOUJYCRY-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN COc1cc(CCNC(=O)[C@@H](N)C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000261628862 258404070 /nfs/dbraw/zinc/40/40/70/258404070.db2.gz CUDHMEKRZXCYAQ-INIZCTEOSA-N 0 3 367.402 1.025 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CCOC)CC1 ZINC000281035631 258636696 /nfs/dbraw/zinc/63/66/96/258636696.db2.gz VVBHFWHBEJIDGW-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000553360170 543618404 /nfs/dbraw/zinc/61/84/04/543618404.db2.gz JLENHKVMVXXUCM-WDEREUQCSA-N 0 3 352.391 1.248 20 5 FDBDHN CCN1CC[C@H]2OCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000559301682 544636353 /nfs/dbraw/zinc/63/63/53/544636353.db2.gz GENKHDMOYWZMIW-UWWQBHOKSA-N 0 3 365.430 1.130 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000299717868 259019421 /nfs/dbraw/zinc/01/94/21/259019421.db2.gz RUBZIUDTXWWOEE-ZDUSSCGKSA-N 0 3 360.414 1.917 20 5 FDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000301701447 259032170 /nfs/dbraw/zinc/03/21/70/259032170.db2.gz FZWQEFQIRSXQFU-AWEZNQCLSA-N 0 3 366.393 1.485 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)s1 ZINC000301922135 259036388 /nfs/dbraw/zinc/03/63/88/259036388.db2.gz JVMQOQRGPUFJOV-UHFFFAOYSA-N 0 3 368.440 1.781 20 5 FDBDHN C[C@]1(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000363498049 259605386 /nfs/dbraw/zinc/60/53/86/259605386.db2.gz CECLQINAIMFJDM-QGZVFWFLSA-N 0 3 362.386 1.284 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367452706 260044266 /nfs/dbraw/zinc/04/42/66/260044266.db2.gz VTRDUXCLMOEECX-CXAGYDPISA-N 0 3 362.386 1.189 20 5 FDBDHN COc1ccc(CSCC(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368212654 260152078 /nfs/dbraw/zinc/15/20/78/260152078.db2.gz IOYJWOOPOPXSNA-RYUDHWBXSA-N 0 3 357.407 1.653 20 5 FDBDHN Cc1ccccc1CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000368405702 260178439 /nfs/dbraw/zinc/17/84/39/260178439.db2.gz UMOQZGJRRPQLBB-LJQANCHMSA-N 0 3 373.457 1.669 20 5 FDBDHN CC(C)NC(=O)c1ccc(N2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000368973591 260270564 /nfs/dbraw/zinc/27/05/64/260270564.db2.gz KKJOVMLCJSTOCD-CQSZACIVSA-N 0 3 364.446 1.626 20 5 FDBDHN C[C@H](CO)N1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000368976879 260271147 /nfs/dbraw/zinc/27/11/47/260271147.db2.gz ZKVITUAUQKLCDS-CYBMUJFWSA-N 0 3 361.402 1.533 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369165658 260305455 /nfs/dbraw/zinc/30/54/55/260305455.db2.gz VGPAHILSZGTDQC-MRXNPFEDSA-N 0 3 372.429 1.523 20 5 FDBDHN CN1CCC2(CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374293604 261104833 /nfs/dbraw/zinc/10/48/33/261104833.db2.gz HYFRCQPJKWQVPP-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN NC(=O)c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000374365079 261117949 /nfs/dbraw/zinc/11/79/49/261117949.db2.gz JLHXHBRNUJKAAC-CVEARBPZSA-N 0 3 370.409 1.741 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000374432618 261130752 /nfs/dbraw/zinc/13/07/52/261130752.db2.gz ZQXZWSSKBSYKHD-BXUZGUMPSA-N 0 3 364.377 1.533 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000374478188 261139184 /nfs/dbraw/zinc/13/91/84/261139184.db2.gz IZTGYJPJWVVYEE-GFCCVEGCSA-N 0 3 364.377 1.678 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000374895491 261220845 /nfs/dbraw/zinc/22/08/45/261220845.db2.gz JSWHWPZARRMVCC-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375042940 261254246 /nfs/dbraw/zinc/25/42/46/261254246.db2.gz UPKCSKGDEQRGAP-ABAIWWIYSA-N 0 3 354.432 1.033 20 5 FDBDHN Cc1nc(CO[C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375395357 261329849 /nfs/dbraw/zinc/32/98/49/261329849.db2.gz RYUXYAVJFJGZIQ-HUUCEWRRSA-N 0 3 367.431 1.208 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375626942 261384192 /nfs/dbraw/zinc/38/41/92/261384192.db2.gz ZPVVTNIJWMZKPI-CZUORRHYSA-N 0 3 353.444 1.983 20 5 FDBDHN O=C(CCN1CCN([C@H]2CCC[C@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375797069 261426516 /nfs/dbraw/zinc/42/65/16/261426516.db2.gz TYZSKARFBANOKB-DLBZAZTESA-N 0 3 362.430 1.454 20 5 FDBDHN CS[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000270668814 674247707 /nfs/dbraw/zinc/24/77/07/674247707.db2.gz QSQSPMANIHTTFX-CVEARBPZSA-N 0 3 364.471 1.461 20 5 FDBDHN COCCN(C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270848965 674277280 /nfs/dbraw/zinc/27/72/80/674277280.db2.gz WYDQSIODPWQXBN-UHFFFAOYSA-N 0 3 350.419 1.847 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc([N+](=O)[O-])c1OC ZINC000271127383 674312780 /nfs/dbraw/zinc/31/27/80/674312780.db2.gz MCYZLVFEPORRFC-OCCSQVGLSA-N 0 3 369.443 1.730 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1N(C)C ZINC000271152826 674316335 /nfs/dbraw/zinc/31/63/35/674316335.db2.gz QMYSZZUEHJJLBG-WFASDCNBSA-N 0 3 367.427 1.484 20 5 FDBDHN CC1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000057213317 522034210 /nfs/dbraw/zinc/03/42/10/522034210.db2.gz NBKXJOUVMMIARS-UHFFFAOYSA-N 0 3 374.397 1.039 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000058048973 522200040 /nfs/dbraw/zinc/20/00/40/522200040.db2.gz WGMJQIJRUZRSHG-NSHDSACASA-N 0 3 350.404 1.201 20 5 FDBDHN CCN1CCC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000060793615 522417943 /nfs/dbraw/zinc/41/79/43/522417943.db2.gz KCKHPAQWKRZHTQ-UHFFFAOYSA-N 0 3 366.443 1.386 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000062227999 522514699 /nfs/dbraw/zinc/51/46/99/522514699.db2.gz GUUOBRPEKQYRNV-OAHLLOKOSA-N 0 3 358.402 1.357 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065937568 522921128 /nfs/dbraw/zinc/92/11/28/522921128.db2.gz ONJHESDIAOPQMK-UHFFFAOYSA-N 0 3 367.356 1.660 20 5 FDBDHN COc1cc(CCNC(=O)N[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000052519388 523188568 /nfs/dbraw/zinc/18/85/68/523188568.db2.gz RQTIEUUGGSFNGF-ZDUSSCGKSA-N 0 3 366.418 1.548 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000055265117 523782388 /nfs/dbraw/zinc/78/23/88/523782388.db2.gz MXXLPPUCKGFBBE-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000055265249 523782844 /nfs/dbraw/zinc/78/28/44/523782844.db2.gz ZGJDYFRKIVNVHR-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000157120666 524212914 /nfs/dbraw/zinc/21/29/14/524212914.db2.gz ZLWLOGWOVLTZTL-HUUCEWRRSA-N 0 3 370.413 1.732 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000142463090 524352801 /nfs/dbraw/zinc/35/28/01/524352801.db2.gz QGUHBLGSBYTFEC-UHFFFAOYSA-N 0 3 351.359 1.164 20 5 FDBDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173595676 524420593 /nfs/dbraw/zinc/42/05/93/524420593.db2.gz QNWLDJZUWPXOEE-XJKSGUPXSA-N 0 3 367.450 1.025 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000122327553 524509689 /nfs/dbraw/zinc/50/96/89/524509689.db2.gz CGYCZBAIBSTDCG-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122411872 524529483 /nfs/dbraw/zinc/52/94/83/524529483.db2.gz ICYDPCZOMNYIBK-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000090015298 524574240 /nfs/dbraw/zinc/57/42/40/524574240.db2.gz OFYXKRMSDONABS-LBPRGKRZSA-N 0 3 357.432 1.278 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000112851335 524575497 /nfs/dbraw/zinc/57/54/97/524575497.db2.gz DHKQLJWAUBDNOS-CZUORRHYSA-N 0 3 360.414 1.866 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112917244 524593012 /nfs/dbraw/zinc/59/30/12/524593012.db2.gz PJKGVLIPHGQBSM-NSHDSACASA-N 0 3 353.398 1.072 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112917366 524593453 /nfs/dbraw/zinc/59/34/53/524593453.db2.gz KVWZPXIZDPWVBL-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655234 524676768 /nfs/dbraw/zinc/67/67/68/524676768.db2.gz UKICMWISRXDCIY-ZDUSSCGKSA-N 0 3 356.329 1.886 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCN1CCN(C)CC1 ZINC000174721146 524707252 /nfs/dbraw/zinc/70/72/52/524707252.db2.gz KVUVHBLTPXFEQO-HNNXBMFYSA-N 0 3 363.462 1.491 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000115433744 524993608 /nfs/dbraw/zinc/99/36/08/524993608.db2.gz WHKJOAPTFDPOBO-ZDUSSCGKSA-N 0 3 358.402 1.589 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000152809311 525012182 /nfs/dbraw/zinc/01/21/82/525012182.db2.gz RGIOTCVJMMXVCB-ZDUSSCGKSA-N 0 3 368.459 1.741 20 5 FDBDHN CCc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000152825183 525017981 /nfs/dbraw/zinc/01/79/81/525017981.db2.gz FARJGFLKXORYRB-MRXNPFEDSA-N 0 3 374.441 1.536 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000152895377 525041066 /nfs/dbraw/zinc/04/10/66/525041066.db2.gz ZMJUCBNXDNVFPI-RISCZKNCSA-N 0 3 357.407 1.839 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000124689581 525054237 /nfs/dbraw/zinc/05/42/37/525054237.db2.gz PXZRELAMSBCIKB-VXGBXAGGSA-N 0 3 374.401 1.264 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000176184359 525062564 /nfs/dbraw/zinc/06/25/64/525062564.db2.gz ZYOOOUSJERRXHQ-AWEZNQCLSA-N 0 3 364.446 1.968 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000152984857 525068255 /nfs/dbraw/zinc/06/82/55/525068255.db2.gz JLPIODYTRBQOLQ-GOSISDBHSA-N 0 3 364.446 1.240 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153188913 525135924 /nfs/dbraw/zinc/13/59/24/525135924.db2.gz WEVPHUFMZMRGKC-MRXNPFEDSA-N 0 3 364.427 1.761 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153351174 525186508 /nfs/dbraw/zinc/18/65/08/525186508.db2.gz AKWFNIMDVWTYAD-HNNXBMFYSA-N 0 3 359.810 1.446 20 5 FDBDHN CC(C)(C)[C@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(N)=O ZINC000117340310 525323185 /nfs/dbraw/zinc/32/31/85/525323185.db2.gz LWCYVPJCJUOWKT-CYBMUJFWSA-N 0 3 350.375 1.382 20 5 FDBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127192918 525392955 /nfs/dbraw/zinc/39/29/55/525392955.db2.gz BNJGNRGUOBYRHP-RHSMWYFYSA-N 0 3 359.430 1.877 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154026091 525396978 /nfs/dbraw/zinc/39/69/78/525396978.db2.gz KQDCJGJZTLMGRF-AWEZNQCLSA-N 0 3 355.398 1.995 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118096832 525440199 /nfs/dbraw/zinc/44/01/99/525440199.db2.gz KVPPIJQPBAIQCN-NSHDSACASA-N 0 3 354.794 1.787 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000128049211 525496630 /nfs/dbraw/zinc/49/66/30/525496630.db2.gz LWXZAPXPDIBLBS-HNNXBMFYSA-N 0 3 350.419 1.417 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CN1C1CC1 ZINC000128468499 525546294 /nfs/dbraw/zinc/54/62/94/525546294.db2.gz PBLKSJVNAAKXLA-ZIAGYGMSSA-N 0 3 374.441 1.786 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCN2CCC[C@H]2CO)c1 ZINC000154535940 525565142 /nfs/dbraw/zinc/56/51/42/525565142.db2.gz RHMQOVYZPRJKKV-INIZCTEOSA-N 0 3 371.459 1.251 20 5 FDBDHN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000165975555 525567367 /nfs/dbraw/zinc/56/73/67/525567367.db2.gz QNMTYAVDTCTVNU-LBPRGKRZSA-N 0 3 357.208 1.072 20 5 FDBDHN CCN(CC)CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000129307716 525640907 /nfs/dbraw/zinc/64/09/07/525640907.db2.gz MOGZNEKXNYPSBR-UHFFFAOYSA-N 0 3 357.432 1.460 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000119614343 525806007 /nfs/dbraw/zinc/80/60/07/525806007.db2.gz XUXGSTFTVLRBBG-UHFFFAOYSA-N 0 3 368.409 1.733 20 5 FDBDHN CCO[C@@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000181613407 525881364 /nfs/dbraw/zinc/88/13/64/525881364.db2.gz IVPHFMPHFHGXHW-HUUCEWRRSA-N 0 3 371.459 1.666 20 5 FDBDHN CCO[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000181971326 526003237 /nfs/dbraw/zinc/00/32/37/526003237.db2.gz WWMMGLSJONWAQO-LSDHHAIUSA-N 0 3 371.459 1.666 20 5 FDBDHN CN(C)C(=O)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000182167246 526080979 /nfs/dbraw/zinc/08/09/79/526080979.db2.gz LNRPIOYZKSMZDG-INIZCTEOSA-N 0 3 365.430 1.525 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000182444876 526176171 /nfs/dbraw/zinc/17/61/71/526176171.db2.gz NTHVXKMVUPFVLG-UHFFFAOYSA-N 0 3 363.462 1.416 20 5 FDBDHN Nc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000109981626 526211004 /nfs/dbraw/zinc/21/10/04/526211004.db2.gz YBIACKONOPNKFG-UHFFFAOYSA-N 0 3 362.430 1.942 20 5 FDBDHN CN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000109984197 526211412 /nfs/dbraw/zinc/21/14/12/526211412.db2.gz GCCWGOSZURCZAQ-GFCCVEGCSA-N 0 3 350.375 1.003 20 5 FDBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](N2CCCC2)C1 ZINC000182997721 535901254 /nfs/dbraw/zinc/90/12/54/535901254.db2.gz LSLAMJLKFXGHIV-DYVFJYSZSA-N 0 3 358.398 1.785 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H](C)O1 ZINC000183601956 536011895 /nfs/dbraw/zinc/01/18/95/536011895.db2.gz PKHUULDEBCDXGS-RYUDHWBXSA-N 0 3 351.407 1.191 20 5 FDBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000183918757 536067470 /nfs/dbraw/zinc/06/74/70/536067470.db2.gz LYDCBZJJRQHTHO-UHFFFAOYSA-N 0 3 360.208 1.401 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000184070932 536089923 /nfs/dbraw/zinc/08/99/23/536089923.db2.gz UMJXSIBNPKCWKX-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000184281601 536126378 /nfs/dbraw/zinc/12/63/78/536126378.db2.gz IHXRINQAZDHGNY-UHFFFAOYSA-N 0 3 358.402 1.572 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000184358585 536138322 /nfs/dbraw/zinc/13/83/22/536138322.db2.gz UVGZLQSCSARJNH-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184404374 536145966 /nfs/dbraw/zinc/14/59/66/536145966.db2.gz XZMYWILYYPKBGE-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCN(CC)CC1 ZINC000184786969 536183727 /nfs/dbraw/zinc/18/37/27/536183727.db2.gz NSJITTWJFTZGPZ-KRWDZBQOSA-N 0 3 362.474 1.917 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000187729954 536273075 /nfs/dbraw/zinc/27/30/75/536273075.db2.gz QPGCWQBNAZUWOF-UHFFFAOYSA-N 0 3 354.794 1.739 20 5 FDBDHN COc1cc(OCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000246578670 536984399 /nfs/dbraw/zinc/98/43/99/536984399.db2.gz CJNJYJUQZFXDGB-ZFWWWQNUSA-N 0 3 363.414 1.925 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000247289444 537103930 /nfs/dbraw/zinc/10/39/30/537103930.db2.gz GIMULVWXPXRSDT-WCQYABFASA-N 0 3 369.443 1.411 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000263814694 537107813 /nfs/dbraw/zinc/10/78/13/537107813.db2.gz RSNAFHBQROWZHA-QGZVFWFLSA-N 0 3 374.441 1.718 20 5 FDBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247337450 537110143 /nfs/dbraw/zinc/11/01/43/537110143.db2.gz JAWFACBLPAQKRK-MLGOLLRUSA-N 0 3 372.429 1.896 20 5 FDBDHN CCN1CCC(n2nccc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000263863165 537121374 /nfs/dbraw/zinc/12/13/74/537121374.db2.gz FCKOLYDRXQQNAO-UHFFFAOYSA-N 0 3 374.401 1.249 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)NCC2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000189996474 537125664 /nfs/dbraw/zinc/12/56/64/537125664.db2.gz UPAOOXFOUOEDNN-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190063557 537133821 /nfs/dbraw/zinc/13/38/21/537133821.db2.gz RMRSWWDULHRLIK-AWEZNQCLSA-N 0 3 373.475 1.847 20 5 FDBDHN CCN1CCN([C@H](C)CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190167740 537148790 /nfs/dbraw/zinc/14/87/90/537148790.db2.gz QBAZEKCQHOLYDO-GFCCVEGCSA-N 0 3 351.407 1.214 20 5 FDBDHN CS(=O)(=O)c1ccc(N2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000265798891 537173918 /nfs/dbraw/zinc/17/39/18/537173918.db2.gz JGWIJKHVVHHUGU-ZDUSSCGKSA-N 0 3 353.444 1.920 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266303724 537197162 /nfs/dbraw/zinc/19/71/62/537197162.db2.gz YZACTBIIUFFEIH-NEPJUHHUSA-N 0 3 356.448 1.422 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000249055266 537226271 /nfs/dbraw/zinc/22/62/71/537226271.db2.gz OQSQMWKUYCRHLW-OAGGEKHMSA-N 0 3 366.805 1.925 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249513074 537236887 /nfs/dbraw/zinc/23/68/87/537236887.db2.gz OXIKVGIWOSTTJZ-HUUCEWRRSA-N 0 3 364.446 1.619 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276173915 537316382 /nfs/dbraw/zinc/31/63/82/537316382.db2.gz SQDDRVLLBYFRRG-CYBMUJFWSA-N 0 3 360.414 1.917 20 5 FDBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000285960547 537385199 /nfs/dbraw/zinc/38/51/99/537385199.db2.gz ANSKPLSFNFZTMD-UHFFFAOYSA-N 0 3 350.419 1.739 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199160441 537427986 /nfs/dbraw/zinc/42/79/86/537427986.db2.gz BJIHXWGPWACEHU-GOSISDBHSA-N 0 3 354.410 1.813 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1(C(N)=O)CCCC1 ZINC000271361662 537431836 /nfs/dbraw/zinc/43/18/36/537431836.db2.gz LGEHURHXYMUCOG-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290883108 537448464 /nfs/dbraw/zinc/44/84/64/537448464.db2.gz JSXYAUPHDBJOCZ-IAQYHMDHSA-N 0 3 359.386 1.406 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000275928427 537594308 /nfs/dbraw/zinc/59/43/08/537594308.db2.gz NJZQVPVJZLBAHI-UHFFFAOYSA-N 0 3 350.375 1.095 20 5 FDBDHN COCCN(C)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000313928570 537607938 /nfs/dbraw/zinc/60/79/38/537607938.db2.gz CHJKIPOXUQQVKC-LLVKDONJSA-N 0 3 363.208 1.675 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285273785 537674775 /nfs/dbraw/zinc/67/47/75/537674775.db2.gz TWDITYIUSBBXJR-UHFFFAOYSA-N 0 3 358.402 1.708 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285436920 537711030 /nfs/dbraw/zinc/71/10/30/537711030.db2.gz XGDCJVYNELWSPS-ZFWWWQNUSA-N 0 3 353.444 1.983 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411716873 537838551 /nfs/dbraw/zinc/83/85/51/537838551.db2.gz HKOJEKIAWMPQFH-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000372575506 537976550 /nfs/dbraw/zinc/97/65/50/537976550.db2.gz XWXVCDBUXGPDSQ-BBRMVZONSA-N 0 3 370.413 1.613 20 5 FDBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000415302892 537993397 /nfs/dbraw/zinc/99/33/97/537993397.db2.gz CRWTUFRJALZEPJ-UHFFFAOYSA-N 0 3 371.191 1.118 20 5 FDBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000372782969 538027589 /nfs/dbraw/zinc/02/75/89/538027589.db2.gz PWWABOGZRCXGEU-FUHWJXTLSA-N 0 3 362.474 1.960 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COCC(F)(F)F)C2)nc1 ZINC000432777656 538177270 /nfs/dbraw/zinc/17/72/70/538177270.db2.gz BUICACWIMZFLDY-ZYHUDNBSSA-N 0 3 364.324 1.416 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420017963 538190262 /nfs/dbraw/zinc/19/02/62/538190262.db2.gz PFXLXJRFMWJYQF-QAPCUYQASA-N 0 3 351.447 1.982 20 5 FDBDHN Cn1c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440511164 538251314 /nfs/dbraw/zinc/25/13/14/538251314.db2.gz IOYHYVUXIYWODZ-SFHVURJKSA-N 0 3 358.398 1.300 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433749271 538268696 /nfs/dbraw/zinc/26/86/96/538268696.db2.gz DZYXTPAKEQYVHO-UHFFFAOYSA-N 0 3 366.466 1.589 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000433804300 538273110 /nfs/dbraw/zinc/27/31/10/538273110.db2.gz HMJGFAWBZYZOKN-CQSZACIVSA-N 0 3 363.418 1.170 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919782 538335115 /nfs/dbraw/zinc/33/51/15/538335115.db2.gz UIPJTPRMMLMYGS-HNNXBMFYSA-N 0 3 362.430 1.390 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000452367906 538381610 /nfs/dbraw/zinc/38/16/10/538381610.db2.gz BYVFOVHJPGPVMT-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN COc1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000457917868 538529104 /nfs/dbraw/zinc/52/91/04/538529104.db2.gz HDLYWJDLMRMMCL-AWEZNQCLSA-N 0 3 366.418 1.249 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000494670384 538573994 /nfs/dbraw/zinc/57/39/94/538573994.db2.gz FONGVLLQNBBERM-UHFFFAOYSA-N 0 3 373.413 1.659 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000494760287 538587563 /nfs/dbraw/zinc/58/75/63/538587563.db2.gz LUEPYNCDMKDOQJ-OWCLPIDISA-N 0 3 366.439 1.916 20 5 FDBDHN CC(C)[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000487961537 538696261 /nfs/dbraw/zinc/69/62/61/538696261.db2.gz WSOBGLDDYNLELE-AWEZNQCLSA-N 0 3 364.402 1.534 20 5 FDBDHN COCCn1cc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000502317108 538736012 /nfs/dbraw/zinc/73/60/12/538736012.db2.gz DRJIUTIEAXSGNQ-ZDUSSCGKSA-N 0 3 361.402 1.945 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1CCN(CCO)CC1 ZINC000476156839 538859594 /nfs/dbraw/zinc/85/95/94/538859594.db2.gz NHVDXUXQWUITBC-UHFFFAOYSA-N 0 3 366.418 1.107 20 5 FDBDHN O=C1CN(CCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000563414919 546525736 /nfs/dbraw/zinc/52/57/36/546525736.db2.gz AZAQKDMKBDTXOK-UHFFFAOYSA-N 0 3 358.398 1.766 20 5 FDBDHN CCc1ccccc1[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565765291 547471990 /nfs/dbraw/zinc/47/19/90/547471990.db2.gz XYQIQIBDJIAXFC-ZDUSSCGKSA-N 0 3 350.400 1.531 20 5 FDBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000565891729 547522660 /nfs/dbraw/zinc/52/26/60/547522660.db2.gz CBFMOSCYGOIHFR-MNOVXSKESA-N 0 3 371.415 1.162 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566179088 547643501 /nfs/dbraw/zinc/64/35/01/547643501.db2.gz NYYLVKHYGFDRMX-RKVPGOIHSA-N 0 3 363.414 1.622 20 5 FDBDHN COC(=O)c1cc(C)nc(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000566636859 547836097 /nfs/dbraw/zinc/83/60/97/547836097.db2.gz YAGWESWZZUJABO-UHFFFAOYSA-N 0 3 365.434 1.159 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C)C[C@H]1CN ZINC000568512040 548568696 /nfs/dbraw/zinc/56/86/96/548568696.db2.gz GSDALVXPKPYIFQ-ZYHUDNBSSA-N 0 3 356.810 1.117 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000569095745 548794223 /nfs/dbraw/zinc/79/42/23/548794223.db2.gz JEANMICCUALDHT-XEZPLFJOSA-N 0 3 373.413 1.108 20 5 FDBDHN N[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1c1ccccc1 ZINC000569247017 548850840 /nfs/dbraw/zinc/85/08/40/548850840.db2.gz VXANNAOEMAZGKV-UONOGXRCSA-N 0 3 355.350 1.890 20 5 FDBDHN Cc1cccc(C[C@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569693541 549013758 /nfs/dbraw/zinc/01/37/58/549013758.db2.gz QQGZVVHDORIPNG-SJLPKXTDSA-N 0 3 360.410 1.836 20 5 FDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000569993450 549122525 /nfs/dbraw/zinc/12/25/25/549122525.db2.gz SGHMJDPHPNUSHS-WOSRLPQWSA-N 0 3 360.414 1.722 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000572670403 549968836 /nfs/dbraw/zinc/96/88/36/549968836.db2.gz KEQCBXSGRLKFDO-OAHLLOKOSA-N 0 3 362.430 1.510 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)nn1 ZINC000572841290 550007312 /nfs/dbraw/zinc/00/73/12/550007312.db2.gz MQPZYBRRPPRRHP-ZDUSSCGKSA-N 0 3 364.793 1.776 20 5 FDBDHN CNc1nccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000573106225 550065772 /nfs/dbraw/zinc/06/57/72/550065772.db2.gz RHWAXCKDAIKFER-UHFFFAOYSA-N 0 3 369.425 2.426 20 5 FDBDHN CN1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000573188288 550082715 /nfs/dbraw/zinc/08/27/15/550082715.db2.gz VNWFUWZEENNYIT-LBPRGKRZSA-N 0 3 372.223 1.464 20 5 FDBDHN O=C1CCCN1Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000573712634 550199154 /nfs/dbraw/zinc/19/91/54/550199154.db2.gz CNQZFFKFSISTCD-KRWDZBQOSA-N 0 3 373.413 1.064 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000578165638 550735152 /nfs/dbraw/zinc/73/51/52/550735152.db2.gz IKYWQHOQWOIXLE-DOMZBBRYSA-N 0 3 362.430 1.318 20 5 FDBDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579053122 550829957 /nfs/dbraw/zinc/82/99/57/550829957.db2.gz DKZZJTJTUMUUIX-FZMZJTMJSA-N 0 3 364.402 1.182 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217303 550956202 /nfs/dbraw/zinc/95/62/02/550956202.db2.gz ZWJZLUZSGJINQY-HUUCEWRRSA-N 0 3 371.397 1.036 20 5 FDBDHN CN(C)C(=O)Nc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000580424012 550980816 /nfs/dbraw/zinc/98/08/16/550980816.db2.gz MQEYHGXUYTZDKX-OAHLLOKOSA-N 0 3 362.390 1.036 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000580796859 551019599 /nfs/dbraw/zinc/01/95/99/551019599.db2.gz GXTSYXPWJWOTCY-HOCLYGCPSA-N 0 3 366.414 1.604 20 5 FDBDHN Nc1cc(N2CC[C@H](OCCN3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588003192 551639694 /nfs/dbraw/zinc/63/96/94/551639694.db2.gz UKVJYMQHGBEUCH-INIZCTEOSA-N 0 3 364.446 1.751 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196684 551716799 /nfs/dbraw/zinc/71/67/99/551716799.db2.gz BDPLPCQILJDHDG-UHFFFAOYSA-N 0 3 364.446 1.435 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000589503479 551734130 /nfs/dbraw/zinc/73/41/30/551734130.db2.gz RUANPTOLXIGBKO-CQSZACIVSA-N 0 3 363.414 1.536 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000590399958 551780340 /nfs/dbraw/zinc/78/03/40/551780340.db2.gz RAPYRGOJHGBQQJ-UHFFFAOYSA-N 0 3 357.414 1.396 20 5 FDBDHN COc1cccc2c1OC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000591733870 551904788 /nfs/dbraw/zinc/90/47/88/551904788.db2.gz XRDBGWXEKNTPMP-HOCLYGCPSA-N 0 3 374.393 1.936 20 5 FDBDHN CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000591745518 551905576 /nfs/dbraw/zinc/90/55/76/551905576.db2.gz LPUSNGUZUJYZMV-LSDHHAIUSA-N 0 3 354.794 1.783 20 5 FDBDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000591910444 551915940 /nfs/dbraw/zinc/91/59/40/551915940.db2.gz CVPCLYOTROBODV-STQMWFEESA-N 0 3 363.418 1.417 20 5 FDBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000592016458 551927113 /nfs/dbraw/zinc/92/71/13/551927113.db2.gz JJBDXDIDJTXVAR-LBPRGKRZSA-N 0 3 353.444 1.920 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000592390023 551988168 /nfs/dbraw/zinc/98/81/68/551988168.db2.gz IANDHWXBRIOXJX-IUCAKERBSA-N 0 3 351.787 1.535 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592490514 552001269 /nfs/dbraw/zinc/00/12/69/552001269.db2.gz YPAITPIGSOPRPZ-OAHLLOKOSA-N 0 3 364.402 1.069 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000593495843 552117475 /nfs/dbraw/zinc/11/74/75/552117475.db2.gz KWUDCOIMDBXZFV-DLBZAZTESA-N 0 3 355.398 1.865 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)nc1 ZINC000593495845 552117612 /nfs/dbraw/zinc/11/76/12/552117612.db2.gz KWUDCOIMDBXZFV-IAGOWNOFSA-N 0 3 355.398 1.865 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000593682692 552173286 /nfs/dbraw/zinc/17/32/86/552173286.db2.gz CDEWJTVPDVDHCH-UHFFFAOYSA-N 0 3 352.410 1.419 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000593882892 552216351 /nfs/dbraw/zinc/21/63/51/552216351.db2.gz LAHCNSHJILAIID-UHFFFAOYSA-N 0 3 374.397 1.135 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000593905409 552222462 /nfs/dbraw/zinc/22/24/62/552222462.db2.gz FPQCECYBEYQSBM-TZMCWYRMSA-N 0 3 357.414 1.970 20 5 FDBDHN COc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000594026404 552241009 /nfs/dbraw/zinc/24/10/09/552241009.db2.gz AOUSTKWDXTZWIF-NWDGAFQWSA-N 0 3 373.356 1.456 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594201706 552263904 /nfs/dbraw/zinc/26/39/04/552263904.db2.gz PUWDSDDIWWTVRX-IAGOWNOFSA-N 0 3 374.441 1.848 20 5 FDBDHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594299279 552281641 /nfs/dbraw/zinc/28/16/41/552281641.db2.gz IAYWWBDXNHTPSX-AWEZNQCLSA-N 0 3 360.414 1.221 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)cc1SC ZINC000594450743 552313317 /nfs/dbraw/zinc/31/33/17/552313317.db2.gz YFAZGOHCORFPMD-JTQLQIEISA-N 0 3 353.322 1.945 20 5 FDBDHN C[C@H]1CC[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594505647 552326413 /nfs/dbraw/zinc/32/64/13/552326413.db2.gz YIFGUMWQKIQWDN-RYUDHWBXSA-N 0 3 359.473 1.747 20 5 FDBDHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801423 552389880 /nfs/dbraw/zinc/38/98/80/552389880.db2.gz NZMGYSWERJUDCP-CQSZACIVSA-N 0 3 355.460 1.930 20 5 FDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(OCCO)CCOC2)c1 ZINC000594974253 552429309 /nfs/dbraw/zinc/42/93/09/552429309.db2.gz JQYOQDDKXKTCMQ-HNNXBMFYSA-N 0 3 362.329 1.454 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCSCC1 ZINC000595020226 552438434 /nfs/dbraw/zinc/43/84/34/552438434.db2.gz WKHMVKNYBWLKMI-LBPRGKRZSA-N 0 3 359.473 1.748 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595535919 552580483 /nfs/dbraw/zinc/58/04/83/552580483.db2.gz JJNVDLXMFFUALH-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595593165 552589678 /nfs/dbraw/zinc/58/96/78/552589678.db2.gz RTXPPGCNKKRSOX-SJORKVTESA-N 0 3 360.410 1.870 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595806950 552618181 /nfs/dbraw/zinc/61/81/81/552618181.db2.gz MZYDSEMWSGKSCU-OAHLLOKOSA-N 0 3 361.446 1.911 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000595808533 552618482 /nfs/dbraw/zinc/61/84/82/552618482.db2.gz NOKFCTYYMPSZBE-INIZCTEOSA-N 0 3 362.430 1.990 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595898018 552630459 /nfs/dbraw/zinc/63/04/59/552630459.db2.gz LAZPKAZEIVABPZ-JAXWNDFKSA-N 0 3 373.409 1.877 20 5 FDBDHN NCC12CC(C1)CN2C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595986025 552641118 /nfs/dbraw/zinc/64/11/18/552641118.db2.gz HGKIQVUCALRKOR-UHFFFAOYSA-N 0 3 358.398 1.036 20 5 FDBDHN CC(C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCCC1 ZINC000596069697 552652206 /nfs/dbraw/zinc/65/22/06/552652206.db2.gz IQWPMFDACRSOQP-CQSZACIVSA-N 0 3 356.448 1.775 20 5 FDBDHN CCN1CCN(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000596074307 552652813 /nfs/dbraw/zinc/65/28/13/552652813.db2.gz SWHSINDWVTWYTO-UHFFFAOYSA-N 0 3 361.446 1.536 20 5 FDBDHN CC(C)(C)CCN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596086997 552654070 /nfs/dbraw/zinc/65/40/70/552654070.db2.gz GMZJNELIKYVQDK-UHFFFAOYSA-N 0 3 370.475 1.800 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091149 552654277 /nfs/dbraw/zinc/65/42/77/552654277.db2.gz WPRJWLMLOBLPPV-GFCCVEGCSA-N 0 3 362.386 1.146 20 5 FDBDHN NC(=O)c1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596167122 552661445 /nfs/dbraw/zinc/66/14/45/552661445.db2.gz DJJLGXWRQVBRMO-HNNXBMFYSA-N 0 3 362.430 1.775 20 5 FDBDHN CN(CC1CN(C)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000596453450 552680497 /nfs/dbraw/zinc/68/04/97/552680497.db2.gz JVCJCCOTNCENRP-UHFFFAOYSA-N 0 3 363.805 1.792 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596654393 552697574 /nfs/dbraw/zinc/69/75/74/552697574.db2.gz NTUCFSOXYYSPLO-SNVBAGLBSA-N 0 3 360.374 1.056 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597584383 552808853 /nfs/dbraw/zinc/80/88/53/552808853.db2.gz FUKWQRLPDXFWLS-SFHVURJKSA-N 0 3 365.430 1.911 20 5 FDBDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597617419 552812458 /nfs/dbraw/zinc/81/24/58/552812458.db2.gz QRLQMMTYLDOQFJ-CYBMUJFWSA-N 0 3 367.450 1.651 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000597857325 552841276 /nfs/dbraw/zinc/84/12/76/552841276.db2.gz DMEOQIDKLAWQFJ-CYBMUJFWSA-N 0 3 358.402 1.778 20 5 FDBDHN O=[N+]([O-])c1c(NC2CC(N3CCCCC3)C2)ncnc1N1CCOCC1 ZINC000598624528 552917400 /nfs/dbraw/zinc/91/74/00/552917400.db2.gz IFSOJDZBDLRPHD-UHFFFAOYSA-N 0 3 362.434 1.650 20 5 FDBDHN CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000598898299 552941217 /nfs/dbraw/zinc/94/12/17/552941217.db2.gz QVODCSKJJIRJGT-HNNXBMFYSA-N 0 3 361.402 1.411 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCC[C@H]1C(N)=O ZINC000599066071 552964183 /nfs/dbraw/zinc/96/41/83/552964183.db2.gz PJFIWLATOQTMRL-DOMZBBRYSA-N 0 3 350.419 1.594 20 5 FDBDHN COC(=O)CCNC(=O)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000599170509 552978607 /nfs/dbraw/zinc/97/86/07/552978607.db2.gz SDRDIWFWUTVKFQ-UHFFFAOYSA-N 0 3 360.370 1.355 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000599570942 553092082 /nfs/dbraw/zinc/09/20/82/553092082.db2.gz YDJILPGQNZNOKH-QGZVFWFLSA-N 0 3 365.386 1.496 20 5 FDBDHN COc1ccc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599681107 553120064 /nfs/dbraw/zinc/12/00/64/553120064.db2.gz WBPVJCDHKFXGBE-DZGCQCFKSA-N 0 3 364.377 1.789 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938456 553178418 /nfs/dbraw/zinc/17/84/18/553178418.db2.gz AWCHIAMMTUMCMW-CABCVRRESA-N 0 3 371.397 1.062 20 5 FDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938503 553178527 /nfs/dbraw/zinc/17/85/27/553178527.db2.gz CCQQKOXGBOWTKA-CABCVRRESA-N 0 3 371.397 1.266 20 5 FDBDHN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCN(CC3CC3)C2)C1=O ZINC000600693163 553302347 /nfs/dbraw/zinc/30/23/47/553302347.db2.gz FEMBXYUHNNKLPO-YJBOKZPZSA-N 0 3 358.398 1.846 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000601192301 553358155 /nfs/dbraw/zinc/35/81/55/553358155.db2.gz UPOYWLANLNEZEG-GFCCVEGCSA-N 0 3 356.448 1.423 20 5 FDBDHN CN(C)CCCS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601383645 553390444 /nfs/dbraw/zinc/39/04/44/553390444.db2.gz RSLNDCNFIWZCLI-CQSZACIVSA-N 0 3 359.473 1.924 20 5 FDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000601422201 553401303 /nfs/dbraw/zinc/40/13/03/553401303.db2.gz PQGCGXBQENUDNX-WCQYABFASA-N 0 3 364.427 1.856 20 5 FDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000601421918 553401408 /nfs/dbraw/zinc/40/14/08/553401408.db2.gz NAFWNCSIBWIBDI-SMDDNHRTSA-N 0 3 364.427 1.856 20 5 FDBDHN CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602874947 553657173 /nfs/dbraw/zinc/65/71/73/553657173.db2.gz WCADQUGEDAKSAY-RHSMWYFYSA-N 0 3 351.447 1.997 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000602908216 553666462 /nfs/dbraw/zinc/66/64/62/553666462.db2.gz UUESDVIBWBPSMB-OAHLLOKOSA-N 0 3 351.451 1.675 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603428478 553786172 /nfs/dbraw/zinc/78/61/72/553786172.db2.gz NWVXWWZIEZCQNT-VQIMIIECSA-N 0 3 374.485 1.968 20 5 FDBDHN Cc1ccc(CN[C@H]2CCCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000603428507 553786267 /nfs/dbraw/zinc/78/62/67/553786267.db2.gz OFYQTVXPJHFCKF-SFHVURJKSA-N 0 3 362.474 1.789 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609354989 554371947 /nfs/dbraw/zinc/37/19/47/554371947.db2.gz WIQVLCPGOODIJI-KBPBESRZSA-N 0 3 362.430 1.704 20 5 FDBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000609392166 554374231 /nfs/dbraw/zinc/37/42/31/554374231.db2.gz SVTLGNQDRXFQOC-JTQLQIEISA-N 0 3 366.805 1.331 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000610263125 554483967 /nfs/dbraw/zinc/48/39/67/554483967.db2.gz CXDOZBFOLLNKTG-CYBMUJFWSA-N 0 3 354.432 1.629 20 5 FDBDHN CN(C)CCn1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610478070 554516087 /nfs/dbraw/zinc/51/60/87/554516087.db2.gz NUASSCBLRPOUTD-UHFFFAOYSA-N 0 3 361.406 1.587 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610887177 554575555 /nfs/dbraw/zinc/57/55/55/554575555.db2.gz WJGYAUVAJJORFS-OAHLLOKOSA-N 0 3 350.419 1.650 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000610896852 554577152 /nfs/dbraw/zinc/57/71/52/554577152.db2.gz NLSBAAMZNFBNHH-OAHLLOKOSA-N 0 3 353.444 1.541 20 5 FDBDHN CN1CCC[C@@H](N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000611706923 554669288 /nfs/dbraw/zinc/66/92/88/554669288.db2.gz MOPLLVRCRQCQCK-OAHLLOKOSA-N 0 3 356.430 1.754 20 5 FDBDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065571 554729140 /nfs/dbraw/zinc/72/91/40/554729140.db2.gz BYVBFVAHUUDTNL-KBPBESRZSA-N 0 3 352.387 1.752 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](n2cncn2)C1 ZINC000614419004 555049562 /nfs/dbraw/zinc/04/95/62/555049562.db2.gz PSVLGPJQRCRAFF-CYBMUJFWSA-N 0 3 358.358 1.431 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)C(C)(C)C1 ZINC000614920476 555136779 /nfs/dbraw/zinc/13/67/79/555136779.db2.gz IQLNPNLGIMFSEZ-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2CS(=O)(=O)C2)c1 ZINC000615728171 555233612 /nfs/dbraw/zinc/23/36/12/555233612.db2.gz NBHHRZPJKSIRPY-UHFFFAOYSA-N 0 3 350.343 1.721 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000617368385 555427195 /nfs/dbraw/zinc/42/71/95/555427195.db2.gz JQEIZXAQBYWCQE-UHFFFAOYSA-N 0 3 374.401 1.355 20 5 FDBDHN COc1c(C(=O)NCC2(N3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000619434917 555776522 /nfs/dbraw/zinc/77/65/22/555776522.db2.gz LJFSQIFKJCQTKH-UHFFFAOYSA-N 0 3 363.414 1.978 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000619486581 555786211 /nfs/dbraw/zinc/78/62/11/555786211.db2.gz GVUZCNQVZDIRNW-OLZOCXBDSA-N 0 3 371.459 1.954 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000619495538 555788859 /nfs/dbraw/zinc/78/88/59/555788859.db2.gz YAKJICRHQOBNEU-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227027 598498488 /nfs/dbraw/zinc/49/84/88/598498488.db2.gz YMPVNGIMEZSQAI-TUAOUCFPSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227027 598498490 /nfs/dbraw/zinc/49/84/90/598498490.db2.gz YMPVNGIMEZSQAI-TUAOUCFPSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227027 598498492 /nfs/dbraw/zinc/49/84/92/598498492.db2.gz YMPVNGIMEZSQAI-TUAOUCFPSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227027 598498493 /nfs/dbraw/zinc/49/84/93/598498493.db2.gz YMPVNGIMEZSQAI-TUAOUCFPSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000272892435 674485637 /nfs/dbraw/zinc/48/56/37/674485637.db2.gz JYBFVFKTWNKRIM-NWDGAFQWSA-N 0 3 356.448 1.775 20 5 FDBDHN C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCSC1 ZINC000821581339 606241434 /nfs/dbraw/zinc/24/14/34/606241434.db2.gz IVLFNZYPQKGSDI-ZDUSSCGKSA-N 0 3 350.408 1.019 20 5 FDBDHN C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCSC1 ZINC000821581339 606241436 /nfs/dbraw/zinc/24/14/36/606241436.db2.gz IVLFNZYPQKGSDI-ZDUSSCGKSA-N 0 3 350.408 1.019 20 5 FDBDHN CCn1c(CC[NH3+])nnc1Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821563844 606300383 /nfs/dbraw/zinc/30/03/83/606300383.db2.gz IKLOCRLBEUWXFE-UHFFFAOYSA-N 0 3 361.391 1.039 20 5 FDBDHN CCn1c(CC[NH3+])nnc1Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821563844 606300385 /nfs/dbraw/zinc/30/03/85/606300385.db2.gz IKLOCRLBEUWXFE-UHFFFAOYSA-N 0 3 361.391 1.039 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@@H]2COCC[C@H]21 ZINC000273422995 674535765 /nfs/dbraw/zinc/53/57/65/674535765.db2.gz ZDBNPQQHXVHATO-XNRPHZJLSA-N 0 3 354.428 1.541 20 5 FDBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000273452069 674538839 /nfs/dbraw/zinc/53/88/39/674538839.db2.gz OVGBGJHSFKGKNQ-RBSFLKMASA-N 0 3 354.428 1.772 20 5 FDBDHN C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000826022979 607903988 /nfs/dbraw/zinc/90/39/88/607903988.db2.gz URULJOGZOVUEIU-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000826022979 607903989 /nfs/dbraw/zinc/90/39/89/607903989.db2.gz URULJOGZOVUEIU-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000275991689 674681276 /nfs/dbraw/zinc/68/12/76/674681276.db2.gz FODFHHRTYOQKMJ-JTQLQIEISA-N 0 3 366.805 1.953 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000193906867 672375440 /nfs/dbraw/zinc/37/54/40/672375440.db2.gz CXVKRBGTUMOURH-UHFFFAOYSA-N 0 3 357.407 1.887 20 5 FDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292763128 676311564 /nfs/dbraw/zinc/31/15/64/676311564.db2.gz JAFOIUDGLXFRKU-INIZCTEOSA-N 0 3 353.444 1.842 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1N1CCCC1 ZINC000332075790 676736693 /nfs/dbraw/zinc/73/66/93/676736693.db2.gz FWPRUHJQUXQQIU-OLZOCXBDSA-N 0 3 351.432 1.224 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ncc([N+](=O)[O-])s1 ZINC000374490444 678084012 /nfs/dbraw/zinc/08/40/12/678084012.db2.gz AVPPWCNMSVCDPF-UHFFFAOYSA-N 0 3 365.463 1.847 20 5 FDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000376356300 678284797 /nfs/dbraw/zinc/28/47/97/678284797.db2.gz YLHAKBNDWNDZSJ-CZUORRHYSA-N 0 3 353.444 1.983 20 5 FDBDHN Cc1ncc(CN2CC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000378318504 678739463 /nfs/dbraw/zinc/73/94/63/678739463.db2.gz MKDJHJOKSKROMH-CABZTGNLSA-N 0 3 364.431 1.723 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)CN1CCOCC1 ZINC000412002187 679141181 /nfs/dbraw/zinc/14/11/81/679141181.db2.gz JXHVLQWEZGIGMG-UHFFFAOYSA-N 0 3 350.419 1.542 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1F ZINC000412243887 679167288 /nfs/dbraw/zinc/16/72/88/679167288.db2.gz FZXKYFQRPIUCLY-FZMZJTMJSA-N 0 3 351.378 1.838 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CNCCO1 ZINC000418090975 679998441 /nfs/dbraw/zinc/99/84/41/679998441.db2.gz OVOUUNBESYHIAX-LBPRGKRZSA-N 0 3 362.308 1.401 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](NC(C)=O)C1 ZINC000420960943 680579850 /nfs/dbraw/zinc/57/98/50/680579850.db2.gz RUKVMJYRLFEVLV-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN CC1(C)CCCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000443967967 682367705 /nfs/dbraw/zinc/36/77/05/682367705.db2.gz CQOBIVYNIOEOPY-UHFFFAOYSA-N 0 3 356.448 1.776 20 5 FDBDHN Cc1c(CNC(=O)NC[C@@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000458694295 684305523 /nfs/dbraw/zinc/30/55/23/684305523.db2.gz ONEONTHWXNTULW-HNNXBMFYSA-N 0 3 350.419 1.549 20 5 FDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459599620 684430715 /nfs/dbraw/zinc/43/07/15/684430715.db2.gz RNQSBDBPWWIZJM-UHFFFAOYSA-N 0 3 352.391 1.436 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459693828 684444915 /nfs/dbraw/zinc/44/49/15/684444915.db2.gz JBKOYFCFOFRBIH-UHFFFAOYSA-N 0 3 355.416 1.390 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472619793 685227904 /nfs/dbraw/zinc/22/79/04/685227904.db2.gz SACHSZCHXVLJAX-ZDUSSCGKSA-N 0 3 352.366 1.663 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000516774220 689989112 /nfs/dbraw/zinc/98/91/12/689989112.db2.gz IXUJNXSGDYGLNO-XJKSGUPXSA-N 0 3 371.459 1.356 20 5 FDBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868357 721062835 /nfs/dbraw/zinc/06/28/35/721062835.db2.gz OAIDVAFDRUFLLH-HZPDHXFCSA-N 0 3 355.398 1.865 20 5 FDBDHN Cc1ccccc1-c1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022064051 777695102 /nfs/dbraw/zinc/69/51/02/777695102.db2.gz SHPSPOXMDIZOJF-AYRXBEOTSA-N 0 3 371.397 1.447 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255370860 778525000 /nfs/dbraw/zinc/52/50/00/778525000.db2.gz WQPLBJXKBQKEKN-GINYUPMKSA-N 0 3 358.442 1.846 20 5 FDBDHN Cc1cc(OCC(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000431918658 794940421 /nfs/dbraw/zinc/94/04/21/794940421.db2.gz KKRFCTBVSZZILP-INIZCTEOSA-N 0 3 365.430 1.851 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512142164 808455768 /nfs/dbraw/zinc/45/57/68/808455768.db2.gz HOFNVZWMXDYXRZ-RISCZKNCSA-N 0 3 364.450 1.594 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893876687 809784342 /nfs/dbraw/zinc/78/43/42/809784342.db2.gz PTVRWAWLPHNNBX-IAGOWNOFSA-N 0 3 362.430 1.378 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] ZINC000504929841 815358785 /nfs/dbraw/zinc/35/87/85/815358785.db2.gz LYTRTIYDPVADPM-GFCCVEGCSA-N 0 3 359.386 1.864 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413210897 813390047 /nfs/dbraw/zinc/39/00/47/813390047.db2.gz VWNCQDOUHZVMTA-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413203713 813396802 /nfs/dbraw/zinc/39/68/02/813396802.db2.gz PDRZCCNVUQCTQP-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367069572 814299193 /nfs/dbraw/zinc/29/91/93/814299193.db2.gz XCGTXCKJALRXFM-GUYCJALGSA-N 0 3 362.386 1.189 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272831700 814781680 /nfs/dbraw/zinc/78/16/80/814781680.db2.gz FKOGZFWZLTWVMP-LBPRGKRZSA-N 0 3 364.402 1.390 20 5 FDBDHN CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000294587654 821095116 /nfs/dbraw/zinc/09/51/16/821095116.db2.gz PBHALWMRASTCKT-INIZCTEOSA-N 0 3 362.430 1.465 20 5 FDBDHN Nc1c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487522248 828500366 /nfs/dbraw/zinc/50/03/66/828500366.db2.gz CFXIBKWPKGOZID-IBGZPJMESA-N 0 3 370.409 1.544 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000896156876 824101364 /nfs/dbraw/zinc/10/13/64/824101364.db2.gz OANSCVBMYFYLTO-UHFFFAOYSA-N 0 3 374.441 1.592 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000474794527 824438532 /nfs/dbraw/zinc/43/85/32/824438532.db2.gz DYOHSKSVDZNDKK-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000281771286 826234836 /nfs/dbraw/zinc/23/48/36/826234836.db2.gz XYLJFLGLUHVMCF-CYBMUJFWSA-N 0 3 364.402 1.533 20 5 FDBDHN CN1CCN(C)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000897100802 827005621 /nfs/dbraw/zinc/00/56/21/827005621.db2.gz WBLYBHCZVBJCDX-UHFFFAOYSA-N 0 3 361.446 1.171 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520231049 830855201 /nfs/dbraw/zinc/85/52/01/830855201.db2.gz UWWLJPCMRJVWTO-OAHLLOKOSA-N 0 3 366.393 1.406 20 5 FDBDHN Cc1nc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC001029964495 831933321 /nfs/dbraw/zinc/93/33/21/831933321.db2.gz MBCKUABKXMJPJG-HUUCEWRRSA-N 0 3 350.419 1.627 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898382089 841059200 /nfs/dbraw/zinc/05/92/00/841059200.db2.gz RNZHHQGVNGAXSJ-KBPBESRZSA-N 0 3 350.371 1.661 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000913103633 861425157 /nfs/dbraw/zinc/42/51/57/861425157.db2.gz NAWQFKNJXMETQI-GDBMZVCRSA-N 0 3 357.414 1.818 20 5 FDBDHN CC(=O)N[C@H](C)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000481152134 846134639 /nfs/dbraw/zinc/13/46/39/846134639.db2.gz GVAHFTVIDFMBOH-DYVFJYSZSA-N 0 3 365.430 1.571 20 5 FDBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000482964036 849063099 /nfs/dbraw/zinc/06/30/99/849063099.db2.gz NTPAHKMTXMPUGM-GFCCVEGCSA-N 0 3 364.402 1.028 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)CC1 ZINC000908399234 855381574 /nfs/dbraw/zinc/38/15/74/855381574.db2.gz JQDWKFFVUPCITQ-UHFFFAOYSA-N 0 3 370.812 1.707 20 5 FDBDHN CN(CCO)CCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912610726 859956139 /nfs/dbraw/zinc/95/61/39/859956139.db2.gz ZZQLVPWJXDACMG-UHFFFAOYSA-N 0 3 364.446 1.194 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000916609056 881824804 /nfs/dbraw/zinc/82/48/04/881824804.db2.gz CGZGPIDPBQCFHA-HNNXBMFYSA-N 0 3 356.400 1.798 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000494343186 873459794 /nfs/dbraw/zinc/45/97/94/873459794.db2.gz KRFUASTURYUZOE-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272581092 877965869 /nfs/dbraw/zinc/96/58/69/877965869.db2.gz GTPNYPKEHTXQLG-XJKSGUPXSA-N 0 3 360.414 1.267 20 5 FDBDHN CC(C)c1nsc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034644412 884605421 /nfs/dbraw/zinc/60/54/21/884605421.db2.gz GKGNUXWOWMCEQC-FDYHWXHSSA-N 0 3 367.475 1.844 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000498513273 885132622 /nfs/dbraw/zinc/13/26/22/885132622.db2.gz XYTMSAAPGZEUIF-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000499214481 886590306 /nfs/dbraw/zinc/59/03/06/886590306.db2.gz OEGXXCUYZARPMA-HNNXBMFYSA-N 0 3 364.402 1.103 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000920599585 887072535 /nfs/dbraw/zinc/07/25/35/887072535.db2.gz XFYUEISOQKCBMH-MRXNPFEDSA-N 0 3 362.430 1.690 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450302422 887207635 /nfs/dbraw/zinc/20/76/35/887207635.db2.gz KUSUPRJZHKCNOJ-KRWDZBQOSA-N 0 3 371.441 2.498 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734243151 923122483 /nfs/dbraw/zinc/12/24/83/923122483.db2.gz VEKVJAYPKDUVEB-CYBMUJFWSA-N 0 3 365.434 1.644 20 5 FDBDHN Nc1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000743766473 926463798 /nfs/dbraw/zinc/46/37/98/926463798.db2.gz YGHUXLZTYWQKSP-LJQANCHMSA-N 0 3 370.409 1.544 20 5 FDBDHN O=C(NC[C@H]1C[C@H](NCc2csc(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363174 926829458 /nfs/dbraw/zinc/82/94/58/926829458.db2.gz GGBXOCVKPAFTGZ-WGEPELCKSA-N 0 3 350.444 1.670 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000744798196 926888132 /nfs/dbraw/zinc/88/81/32/926888132.db2.gz GYUUMATVNGJCLN-CQSZACIVSA-N 0 3 362.430 1.503 20 5 FDBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001132750218 941117765 /nfs/dbraw/zinc/11/77/65/941117765.db2.gz FFBFICZXUARIJO-ZIAGYGMSSA-N 0 3 374.401 1.406 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1I ZINC000813102005 941325346 /nfs/dbraw/zinc/32/53/46/941325346.db2.gz MQSQBRFKAPXLSJ-ZCFIWIBFSA-N 0 3 366.111 1.517 20 5 FDBDHN CC(C)c1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102995 941325745 /nfs/dbraw/zinc/32/57/45/941325745.db2.gz XJORPBBDOFNTKI-LBPRGKRZSA-N 0 3 358.416 1.687 20 5 FDBDHN COc1cccc(-n2c(C)nnc2SCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102375 941325881 /nfs/dbraw/zinc/32/58/81/941325881.db2.gz QEVDHXCPHCRAPZ-JTQLQIEISA-N 0 3 366.399 1.885 20 5 FDBDHN CC(COC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[N+](=O)[O-] ZINC000813109643 941334353 /nfs/dbraw/zinc/33/43/53/941334353.db2.gz VAOVEGVQJBFOOO-BXKDBHETSA-N 0 3 369.761 1.753 20 5 FDBDHN CSC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000813110639 941335208 /nfs/dbraw/zinc/33/52/08/941335208.db2.gz GEJSGYVVBCPNIC-FIQHERPVSA-N 0 3 358.416 1.102 20 5 FDBDHN CC1(C)CCN(CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001135000782 941843662 /nfs/dbraw/zinc/84/36/62/941843662.db2.gz MQFPHVFZERJGNK-MRXNPFEDSA-N 0 3 360.414 1.936 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccnc(N3CCOCC3)c2)c1 ZINC000818951847 943361400 /nfs/dbraw/zinc/36/14/00/943361400.db2.gz SBBNPNHVRXLRCW-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827057 944225594 /nfs/dbraw/zinc/22/55/94/944225594.db2.gz JKUBPGTWBVMIRK-UHFFFAOYSA-N 0 3 371.825 1.732 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994619 946143871 /nfs/dbraw/zinc/14/38/71/946143871.db2.gz WQUVYUNWHJODJO-CYBMUJFWSA-N 0 3 351.407 1.752 20 5 FDBDHN O=[N+]([O-])c1cnn(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000844727345 948335453 /nfs/dbraw/zinc/33/54/53/948335453.db2.gz GIQDZJQYSNOTJY-ROUUACIJSA-N 0 3 357.414 1.724 20 5 FDBDHN C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001144209101 948381810 /nfs/dbraw/zinc/38/18/10/948381810.db2.gz BWVULZMFKRFYLM-LLVKDONJSA-N 0 3 369.853 1.444 20 5 FDBDHN CC([C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874029 950045866 /nfs/dbraw/zinc/04/58/66/950045866.db2.gz GQDURRDWBJVHCI-JRPNMDOOSA-N 0 3 359.375 1.900 20 5 FDBDHN CC([C@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881119 950058999 /nfs/dbraw/zinc/05/89/99/950058999.db2.gz YAWRJQFRBZVOTQ-SKDRFNHKSA-N 0 3 362.379 1.403 20 5 FDBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845882238 950060324 /nfs/dbraw/zinc/06/03/24/950060324.db2.gz RUMZANAKNLSBDU-QMTHXVAHSA-N 0 3 352.322 1.627 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)NCC(F)(F)F)c1F ZINC001173177429 961953593 /nfs/dbraw/zinc/95/35/93/961953593.db2.gz BPPJIXGFMVMCLX-QMMMGPOBSA-N 0 3 367.299 1.942 20 5 FDBDHN CCN(C1COC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173705866 962589082 /nfs/dbraw/zinc/58/90/82/962589082.db2.gz VYSDHCGHAJSKSD-UHFFFAOYSA-N 0 3 369.443 1.469 20 5 FDBDHN COc1c([O-])ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC001183024817 962772224 /nfs/dbraw/zinc/77/22/24/962772224.db2.gz PJAAFVVRTRGVCL-QGZVFWFLSA-N 0 3 354.403 1.966 20 5 FDBDHN COc1c(O)ccc(CNCC(C)(C)[C@@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC001183024817 962772228 /nfs/dbraw/zinc/77/22/28/962772228.db2.gz PJAAFVVRTRGVCL-QGZVFWFLSA-N 0 3 354.403 1.966 20 5 FDBDHN CNC(=O)CCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593655 967279746 /nfs/dbraw/zinc/27/97/46/967279746.db2.gz YYIUWPOYAIVHHO-INIZCTEOSA-N 0 3 351.403 1.245 20 5 FDBDHN O=C(CN1CC[C@H]2COC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852667450 967518850 /nfs/dbraw/zinc/51/88/50/967518850.db2.gz DZIUXBFTBANMNU-JKSUJKDBSA-N 0 3 374.441 1.212 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCOC2(CNC2)C1 ZINC000853245027 967941218 /nfs/dbraw/zinc/94/12/18/967941218.db2.gz HNLNBPQCDQJGOM-UHFFFAOYSA-N 0 3 360.414 1.400 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854644637 969049777 /nfs/dbraw/zinc/04/97/77/969049777.db2.gz QXDFLDDZGRIQBF-UHFFFAOYSA-N 0 3 350.394 1.362 20 5 FDBDHN C[C@@H]1C[C@@H](N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CN1C1CC1 ZINC000863506314 972974911 /nfs/dbraw/zinc/97/49/11/972974911.db2.gz FMKMESYMOZWPOA-MZKGEVEHSA-N 0 3 358.398 1.987 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865177367 974162955 /nfs/dbraw/zinc/16/29/55/974162955.db2.gz HERSMRGMPJLYOQ-CQSZACIVSA-N 0 3 353.394 1.846 20 5 FDBDHN Cn1ccnc1[C@H](N[C@H]1CCN(CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866412391 975621273 /nfs/dbraw/zinc/62/12/73/975621273.db2.gz IGFUTZSLCNCRCS-DOTOQJQBSA-N 0 3 373.457 1.853 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000867808361 976907423 /nfs/dbraw/zinc/90/74/23/976907423.db2.gz MXWLMIGIONDPAK-AAEUAGOBSA-N 0 3 357.407 1.757 20 5 FDBDHN CN1CCN(C2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000868062656 977250665 /nfs/dbraw/zinc/25/06/65/977250665.db2.gz NMDNMPKHTTYBHP-UHFFFAOYSA-N 0 3 361.446 1.516 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000849503247 977697037 /nfs/dbraw/zinc/69/70/37/977697037.db2.gz WRYJHOJURWAXFE-HZPDHXFCSA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849506093 977701178 /nfs/dbraw/zinc/70/11/78/977701178.db2.gz LGKVIWZGZCTZIE-ZWKOTPCHSA-N 0 3 371.441 1.723 20 5 FDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882769306 981664783 /nfs/dbraw/zinc/66/47/83/981664783.db2.gz PZVYKGZRBTTYSG-UHFFFAOYSA-N 0 3 357.407 1.983 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862100431 984114040 /nfs/dbraw/zinc/11/40/40/984114040.db2.gz HRDMMQXGOUZKHB-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN CC(C)(O)CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000869778384 985328784 /nfs/dbraw/zinc/32/87/84/985328784.db2.gz IQYJLWYCTUPJSB-LBPRGKRZSA-N 0 3 367.421 1.973 20 5 FDBDHN C[C@@H](C(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000869779115 985330119 /nfs/dbraw/zinc/33/01/19/985330119.db2.gz VBXMKAHTBSJRMI-NEPJUHHUSA-N 0 3 353.394 1.799 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869784899 985344041 /nfs/dbraw/zinc/34/40/41/985344041.db2.gz UGIDHWCFNKOZAQ-LBPRGKRZSA-N 0 3 350.419 1.236 20 5 FDBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCOC1 ZINC000886360552 986098988 /nfs/dbraw/zinc/09/89/88/986098988.db2.gz XZBLKPHSXUTAAZ-WBMJQRKESA-N 0 3 352.387 1.993 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000293813310 988224301 /nfs/dbraw/zinc/22/43/01/988224301.db2.gz FJSJODJBOXSFPS-LSDHHAIUSA-N 0 3 359.386 1.406 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365970380 988271097 /nfs/dbraw/zinc/27/10/97/988271097.db2.gz RLIXXHGLXNGLDV-CQSZACIVSA-N 0 3 363.414 1.685 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000294171838 988331376 /nfs/dbraw/zinc/33/13/76/988331376.db2.gz RKNMHERUIVSXFZ-ZDUSSCGKSA-N 0 3 362.430 1.356 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295180934 988624313 /nfs/dbraw/zinc/62/43/13/988624313.db2.gz IAWQXAMRPYHRMK-UHFFFAOYSA-N 0 3 367.425 1.167 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298486890 990128444 /nfs/dbraw/zinc/12/84/44/990128444.db2.gz BKKHFFVKWSZAMR-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN CCOC(=O)c1ccnc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000371128853 990267825 /nfs/dbraw/zinc/26/78/25/990267825.db2.gz JAUIOFICCMTKDA-ZDUSSCGKSA-N 0 3 364.402 1.832 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371350598 990373339 /nfs/dbraw/zinc/37/33/39/990373339.db2.gz AKOHQLAVXGXPPP-XJKSGUPXSA-N 0 3 364.421 1.832 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825756075 990706049 /nfs/dbraw/zinc/70/60/49/990706049.db2.gz HBQHOABUPXVRGP-QGZVFWFLSA-N 0 3 358.398 1.614 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000373172912 991975072 /nfs/dbraw/zinc/97/50/72/991975072.db2.gz LFLMUWSQQMQWCG-KBPBESRZSA-N 0 3 364.398 1.610 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000876473511 992640553 /nfs/dbraw/zinc/64/05/53/992640553.db2.gz QGFGBWYNAHVSLH-GOSISDBHSA-N 0 3 365.430 1.251 20 5 FDBDHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825977118 993322691 /nfs/dbraw/zinc/32/26/91/993322691.db2.gz XREMNPRYBIQWRH-INIZCTEOSA-N 0 3 354.370 1.940 20 5 FDBDHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825977118 993322710 /nfs/dbraw/zinc/32/27/10/993322710.db2.gz XREMNPRYBIQWRH-INIZCTEOSA-N 0 3 354.370 1.940 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889764730 998620328 /nfs/dbraw/zinc/62/03/28/998620328.db2.gz XZPINRGNPMLFRR-HUUCEWRRSA-N 0 3 353.806 1.919 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000270846297 999624280 /nfs/dbraw/zinc/62/42/80/999624280.db2.gz LHYVFKHQWBUIOH-LSDHHAIUSA-N 0 3 359.382 1.801 20 5 FDBDHN COc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271125543 999664406 /nfs/dbraw/zinc/66/44/06/999664406.db2.gz ZUHKNMAPTPYRAQ-CYBMUJFWSA-N 0 3 366.393 1.485 20 5 FDBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000271268467 999682603 /nfs/dbraw/zinc/68/26/03/999682603.db2.gz IBJDIOQDPXPEJG-MRXNPFEDSA-N 0 3 373.413 1.753 20 5 FDBDHN C[C@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000289318665 1000090020 /nfs/dbraw/zinc/09/00/20/1000090020.db2.gz XAIHNYPCHLSECK-WMLDXEAASA-N 0 3 372.429 1.754 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928433772 1001519938 /nfs/dbraw/zinc/51/99/38/1001519938.db2.gz UVMVSOCXITUHPG-BBRMVZONSA-N 0 3 357.414 1.970 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000931187228 1003945188 /nfs/dbraw/zinc/94/51/88/1003945188.db2.gz QWSOAIGNQJASHL-OLZOCXBDSA-N 0 3 351.428 1.910 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000931187230 1003945550 /nfs/dbraw/zinc/94/55/50/1003945550.db2.gz QWSOAIGNQJASHL-STQMWFEESA-N 0 3 351.428 1.910 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(O)(C3CCC3)CC2)c1 ZINC000932822172 1005198331 /nfs/dbraw/zinc/19/83/31/1005198331.db2.gz QFJSWRBOQDEVJU-INIZCTEOSA-N 0 3 350.415 1.962 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000935984024 1006206460 /nfs/dbraw/zinc/20/64/60/1006206460.db2.gz KZEFJDAHQANCHJ-LSDHHAIUSA-N 0 3 351.378 1.334 20 5 FDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2cccc(OC)c2)C1 ZINC000950055678 1008701571 /nfs/dbraw/zinc/70/15/71/1008701571.db2.gz KRTVMQYRMXXEEH-QZTJIDSGSA-N 0 3 361.442 1.826 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192567439 1010347264 /nfs/dbraw/zinc/34/72/64/1010347264.db2.gz ZWUAELLDOAVUJD-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192053843 178088710 /nfs/dbraw/zinc/08/87/10/178088710.db2.gz OQSQMWKUYCRHLW-XHSDSOJGSA-N 0 3 366.805 1.925 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000193349281 178159011 /nfs/dbraw/zinc/15/90/11/178159011.db2.gz FBEAWWGOVOXPPU-VIFPVBQESA-N 0 3 364.221 1.388 20 5 FDBDHN C[C@@H]1CN(CCN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000194727471 178222069 /nfs/dbraw/zinc/22/20/69/178222069.db2.gz PSMXPZZDQDBBRI-TXEJJXNPSA-N 0 3 361.402 1.652 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000246830103 178453591 /nfs/dbraw/zinc/45/35/91/178453591.db2.gz YDUZIOLQLNVDAU-CVEARBPZSA-N 0 3 374.397 1.761 20 5 FDBDHN COCCN1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521902054 539520872 /nfs/dbraw/zinc/52/08/72/539520872.db2.gz IUCRFBRYOJEVIG-UHFFFAOYSA-N 0 3 366.418 1.384 20 5 FDBDHN COCCN1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264604927 179145742 /nfs/dbraw/zinc/14/57/42/179145742.db2.gz ZSEKMJYBBQPDRQ-UHFFFAOYSA-N 0 3 365.386 1.013 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264640736 179155844 /nfs/dbraw/zinc/15/58/44/179155844.db2.gz VPRQSDHLBMNWQD-PBHICJAKSA-N 0 3 374.441 1.800 20 5 FDBDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000264707313 179174083 /nfs/dbraw/zinc/17/40/83/179174083.db2.gz JZRJONCQODJAJN-LLVKDONJSA-N 0 3 350.375 1.288 20 5 FDBDHN COC(=O)[C@@H]1CC12CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000265100316 179286431 /nfs/dbraw/zinc/28/64/31/179286431.db2.gz XHACDBYPDYXSLS-HOCLYGCPSA-N 0 3 364.398 1.610 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265406048 179367575 /nfs/dbraw/zinc/36/75/75/179367575.db2.gz YWALPUYAVXUSED-CYBMUJFWSA-N 0 3 371.821 1.854 20 5 FDBDHN CN(C)CCOC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000524648876 539655282 /nfs/dbraw/zinc/65/52/82/539655282.db2.gz LULMUTOOGADIPZ-UHFFFAOYSA-N 0 3 357.432 1.326 20 5 FDBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000268267655 180039948 /nfs/dbraw/zinc/03/99/48/180039948.db2.gz GQCPOWWOFUFHDZ-JTQLQIEISA-N 0 3 353.375 1.719 20 5 FDBDHN COc1cc(CNCCCCCS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000274793399 181166876 /nfs/dbraw/zinc/16/68/76/181166876.db2.gz ZEPICFKKKBVAND-UHFFFAOYSA-N 0 3 360.432 1.917 20 5 FDBDHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397912 540159304 /nfs/dbraw/zinc/15/93/04/540159304.db2.gz VYCZQHYCAJVCMR-QGZVFWFLSA-N 0 3 356.382 1.793 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000534828349 540416337 /nfs/dbraw/zinc/41/63/37/540416337.db2.gz QMLHXRUHFNJZLJ-HUUCEWRRSA-N 0 3 352.460 1.901 20 5 FDBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000538874525 540903753 /nfs/dbraw/zinc/90/37/53/540903753.db2.gz NVKRKGYVNOMJIS-UHFFFAOYSA-N 0 3 373.417 1.346 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000539066021 540920448 /nfs/dbraw/zinc/92/04/48/540920448.db2.gz LHNAJGPZEOQQGZ-LSDHHAIUSA-N 0 3 354.428 1.319 20 5 FDBDHN C[C@@H](C(=O)N(CCN(C)C)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716985 541452677 /nfs/dbraw/zinc/45/26/77/541452677.db2.gz ULDQQPXFUXUZEZ-CYBMUJFWSA-N 0 3 354.426 1.789 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000542913279 541501446 /nfs/dbraw/zinc/50/14/46/541501446.db2.gz AMRXAXWUCIARTI-MRXNPFEDSA-N 0 3 358.398 1.430 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544393658 541763015 /nfs/dbraw/zinc/76/30/15/541763015.db2.gz GFISUCDPHGIVAD-UHFFFAOYSA-N 0 3 372.429 1.528 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1N1CCCC1 ZINC000283233273 182135035 /nfs/dbraw/zinc/13/50/35/182135035.db2.gz TUKKLYOEIKFAFG-CABCVRRESA-N 0 3 368.434 1.968 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000286171280 183005090 /nfs/dbraw/zinc/00/50/90/183005090.db2.gz QYHFAGTVRPWCGK-CQSZACIVSA-N 0 3 361.402 1.922 20 5 FDBDHN COc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1OCCN(C)C ZINC000286495505 183081587 /nfs/dbraw/zinc/08/15/87/183081587.db2.gz QVSBHCKZXAMGIH-UHFFFAOYSA-N 0 3 363.374 1.197 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000546587860 542173841 /nfs/dbraw/zinc/17/38/41/542173841.db2.gz UQNCKCWEKQBNJU-CQSZACIVSA-N 0 3 372.219 1.083 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCCN1CCN(C)CC1 ZINC000287211163 183236875 /nfs/dbraw/zinc/23/68/75/183236875.db2.gz IITMOZGAYZCRSB-UHFFFAOYSA-N 0 3 364.446 1.764 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295081876 184032376 /nfs/dbraw/zinc/03/23/76/184032376.db2.gz VRARRGQBHRGYIS-UHFFFAOYSA-N 0 3 368.409 1.377 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000295933502 184114814 /nfs/dbraw/zinc/11/48/14/184114814.db2.gz GDODEJFXNCFUMB-UHFFFAOYSA-N 0 3 366.393 1.829 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296149442 184134749 /nfs/dbraw/zinc/13/47/49/184134749.db2.gz KJYXLZOHTUEHAD-LBPRGKRZSA-N 0 3 352.391 1.572 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000296351398 184156803 /nfs/dbraw/zinc/15/68/03/184156803.db2.gz HTLAKUXVXSNXDP-UONOGXRCSA-N 0 3 374.445 1.447 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296716740 184193357 /nfs/dbraw/zinc/19/33/57/184193357.db2.gz BYMBDOCZVCXDMG-LLVKDONJSA-N 0 3 364.377 1.747 20 5 FDBDHN C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297469763 184275484 /nfs/dbraw/zinc/27/54/84/184275484.db2.gz URBRVEHZEXMFDU-UKRRQHHQSA-N 0 3 350.419 1.802 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCCN(CCCO)C1 ZINC000298060989 184384943 /nfs/dbraw/zinc/38/49/43/184384943.db2.gz VUGXDGSGBZFGGO-ZDUSSCGKSA-N 0 3 370.837 1.894 20 5 FDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000277468058 781983850 /nfs/dbraw/zinc/98/38/50/781983850.db2.gz HPZMDSMJGPZHSR-OAHLLOKOSA-N 0 3 370.413 1.922 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000173263054 258294510 /nfs/dbraw/zinc/29/45/10/258294510.db2.gz HYAZGZLLVOGINO-TZMCWYRMSA-N 0 3 371.459 1.954 20 5 FDBDHN COc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000549195201 542849803 /nfs/dbraw/zinc/84/98/03/542849803.db2.gz ZEQWKQJSWLAPAI-UHFFFAOYSA-N 0 3 363.374 1.197 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000549726778 542924529 /nfs/dbraw/zinc/92/45/29/542924529.db2.gz NHAYAGJTFOQWNI-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000550322804 543068016 /nfs/dbraw/zinc/06/80/16/543068016.db2.gz UOOXTRBCKYYPDA-AWEZNQCLSA-N 0 3 374.235 1.708 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000550701056 543153486 /nfs/dbraw/zinc/15/34/86/543153486.db2.gz SKZLKFPVTCWWIJ-SWLSCSKDSA-N 0 3 357.432 1.420 20 5 FDBDHN Cc1cccc(C(=O)NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000552355065 543455322 /nfs/dbraw/zinc/45/53/22/543455322.db2.gz UVMAJHOIUBTRTC-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN CS(=O)(=O)NCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102420566 172350137 /nfs/dbraw/zinc/35/01/37/172350137.db2.gz WNDPERPBWIHMTA-UHFFFAOYSA-N 0 3 353.400 1.884 20 5 FDBDHN NC(=O)NC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128851766 173122206 /nfs/dbraw/zinc/12/22/06/173122206.db2.gz LQZJNZKDXSYQJG-UHFFFAOYSA-N 0 3 353.354 1.195 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000161862887 173753412 /nfs/dbraw/zinc/75/34/12/173753412.db2.gz ZJJKJNGTUHIRLH-CQSZACIVSA-N 0 3 350.423 1.451 20 5 FDBDHN O=C(Nc1ccccc1O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176198782 174057578 /nfs/dbraw/zinc/05/75/78/174057578.db2.gz ZQNPLLZQQQMEQS-UHFFFAOYSA-N 0 3 359.386 1.848 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OCC3CCCC3)CC2)c1 ZINC000177499571 174136150 /nfs/dbraw/zinc/13/61/50/174136150.db2.gz UQLIGODDZFXNSB-MRXNPFEDSA-N 0 3 352.435 1.823 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OCC3CCCC3)CC2)c1 ZINC000177499589 174136276 /nfs/dbraw/zinc/13/62/76/174136276.db2.gz UQLIGODDZFXNSB-INIZCTEOSA-N 0 3 352.435 1.823 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000173549510 258302865 /nfs/dbraw/zinc/30/28/65/258302865.db2.gz OKBVBSSPITVDEU-UHFFFAOYSA-N 0 3 354.363 1.510 20 5 FDBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178677251 258332304 /nfs/dbraw/zinc/33/23/04/258332304.db2.gz DOCHBTVYLVWINF-CYBMUJFWSA-N 0 3 358.402 1.528 20 5 FDBDHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178821390 258336409 /nfs/dbraw/zinc/33/64/09/258336409.db2.gz OYAHFURIPHBMGS-OAHLLOKOSA-N 0 3 374.441 1.138 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000554028334 543735371 /nfs/dbraw/zinc/73/53/71/543735371.db2.gz GALWYDZTCXGRQJ-DZGCQCFKSA-N 0 3 374.441 1.685 20 5 FDBDHN O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)NC1CCN(C2CC2)CC1 ZINC000554973493 543898902 /nfs/dbraw/zinc/89/89/02/543898902.db2.gz XKGWGAWFGNHUGE-UHFFFAOYSA-N 0 3 374.441 1.532 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000555915355 544054568 /nfs/dbraw/zinc/05/45/68/544054568.db2.gz HYRFXIYWEMTQJO-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN COc1ccc(CNCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000557316118 544277527 /nfs/dbraw/zinc/27/75/27/544277527.db2.gz SIXRXKIQXPHVSD-UHFFFAOYSA-N 0 3 355.350 1.989 20 5 FDBDHN Cc1c(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000559568921 544728832 /nfs/dbraw/zinc/72/88/32/544728832.db2.gz ICZGVQCWXZQLCB-UHFFFAOYSA-N 0 3 360.414 1.262 20 5 FDBDHN Cc1n[nH]c(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000299576041 259008064 /nfs/dbraw/zinc/00/80/64/259008064.db2.gz WQRAEVJCWDEFDZ-UHFFFAOYSA-N 0 3 372.429 1.304 20 5 FDBDHN O=[N+]([O-])c1c(N2CCC[C@H]2CN2CCC[C@H]2CO)nc2sccn21 ZINC000301550846 259029693 /nfs/dbraw/zinc/02/96/93/259029693.db2.gz QUUCCAIDXAOYHS-RYUDHWBXSA-N 0 3 351.432 1.730 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000330786256 259162804 /nfs/dbraw/zinc/16/28/04/259162804.db2.gz VIJOODCUIXDKST-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332109496 259242343 /nfs/dbraw/zinc/24/23/43/259242343.db2.gz GSRRMVOKJMORNZ-CHWSQXEVSA-N 0 3 350.423 1.134 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000367979916 260118746 /nfs/dbraw/zinc/11/87/46/260118746.db2.gz ZPAANWXJKFGIRN-KBPBESRZSA-N 0 3 365.434 1.980 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368616695 260209724 /nfs/dbraw/zinc/20/97/24/260209724.db2.gz FAKLUXKVOGISHT-CVEARBPZSA-N 0 3 362.430 1.642 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000368971545 260269697 /nfs/dbraw/zinc/26/96/97/260269697.db2.gz CCFPNZYPSDBQIV-LBPRGKRZSA-N 0 3 374.397 1.377 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000369008964 260276052 /nfs/dbraw/zinc/27/60/52/260276052.db2.gz IELPIHGJYOBTOK-UHFFFAOYSA-N 0 3 363.462 1.370 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000369535183 260386189 /nfs/dbraw/zinc/38/61/89/260386189.db2.gz OPWSRHSXVVRHKY-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000369535183 260386190 /nfs/dbraw/zinc/38/61/90/260386190.db2.gz OPWSRHSXVVRHKY-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN C[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000374264302 261102284 /nfs/dbraw/zinc/10/22/84/261102284.db2.gz JKNBWDRYXVCCAV-SFHVURJKSA-N 0 3 357.414 1.820 20 5 FDBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000375475074 261347370 /nfs/dbraw/zinc/34/73/70/261347370.db2.gz UXILKJDISNABGW-HOTGVXAUSA-N 0 3 362.430 1.427 20 5 FDBDHN Cc1c(NC(=O)[C@@H](C)N2CCCN([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375502042 261355529 /nfs/dbraw/zinc/35/55/29/261355529.db2.gz PPIZXTOPDXWSFP-UKRRQHHQSA-N 0 3 364.446 1.619 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376348057 261545986 /nfs/dbraw/zinc/54/59/86/261545986.db2.gz FVPMTRAVDWTKEC-OCCSQVGLSA-N 0 3 369.443 1.851 20 5 FDBDHN COc1ccc(NC(=O)CN2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270629218 674240276 /nfs/dbraw/zinc/24/02/76/674240276.db2.gz GFCUDMJGJCCKFG-CABCVRRESA-N 0 3 368.459 1.519 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000523062532 490436077 /nfs/dbraw/zinc/43/60/77/490436077.db2.gz ZGCGFAPAQZQENC-UHFFFAOYSA-N 0 3 361.358 1.376 20 5 FDBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000271470293 674345925 /nfs/dbraw/zinc/34/59/25/674345925.db2.gz SHMRDLXDMVBXGK-QWHCGFSZSA-N 0 3 357.407 1.947 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000069501885 521896104 /nfs/dbraw/zinc/89/61/04/521896104.db2.gz DEUMNXINXCAQRL-CQSZACIVSA-N 0 3 353.423 1.025 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000069529774 521903998 /nfs/dbraw/zinc/90/39/98/521903998.db2.gz SHVITCFLNLETTN-OAHLLOKOSA-N 0 3 373.413 1.621 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000057065624 521994624 /nfs/dbraw/zinc/99/46/24/521994624.db2.gz HCCDCVJRUTVZSD-UHFFFAOYSA-N 0 3 360.458 1.623 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000049969045 522869863 /nfs/dbraw/zinc/86/98/63/522869863.db2.gz ZXLHBFGEXZATOA-UHFFFAOYSA-N 0 3 350.419 1.816 20 5 FDBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075740981 522967045 /nfs/dbraw/zinc/96/70/45/522967045.db2.gz HXHQLZAZXOOCBO-HIFRSBDPSA-N 0 3 367.450 1.027 20 5 FDBDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000052101369 523119596 /nfs/dbraw/zinc/11/95/96/523119596.db2.gz VXGTUENGENUCPJ-NEPJUHHUSA-N 0 3 356.448 1.917 20 5 FDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067118830 523324929 /nfs/dbraw/zinc/32/49/29/523324929.db2.gz ROXBNXAIEQYZDK-NSHDSACASA-N 0 3 373.431 1.375 20 5 FDBDHN CCCN1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067134319 523330972 /nfs/dbraw/zinc/33/09/72/523330972.db2.gz JGDHRKWKPQFAFD-UHFFFAOYSA-N 0 3 358.402 1.780 20 5 FDBDHN Cc1ccccc1CN1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000053836846 523523735 /nfs/dbraw/zinc/52/37/35/523523735.db2.gz DGRFZPJMXRMHPC-UHFFFAOYSA-N 0 3 358.402 1.276 20 5 FDBDHN COC1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000080010141 523821792 /nfs/dbraw/zinc/82/17/92/523821792.db2.gz GQTMCLZZACHONQ-UHFFFAOYSA-N 0 3 350.419 1.624 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000121381053 524241656 /nfs/dbraw/zinc/24/16/56/524241656.db2.gz ICSJAJSZNDDSAX-AWEZNQCLSA-N 0 3 360.414 1.751 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000157288488 524246169 /nfs/dbraw/zinc/24/61/69/524246169.db2.gz QSDCMYAMSUUDNI-MLGOLLRUSA-N 0 3 361.398 1.938 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000121781759 524360844 /nfs/dbraw/zinc/36/08/44/524360844.db2.gz HUYVGTCKXBXLPH-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN COCCN1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000122634758 524579923 /nfs/dbraw/zinc/57/99/23/524579923.db2.gz BMYKWPMPFDMSME-UHFFFAOYSA-N 0 3 362.430 1.773 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000112921633 524596610 /nfs/dbraw/zinc/59/66/10/524596610.db2.gz HYRSYTXGFDOACD-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000151948230 524737056 /nfs/dbraw/zinc/73/70/56/524737056.db2.gz UKVCTTZZHNPSLY-UHFFFAOYSA-N 0 3 351.403 1.707 20 5 FDBDHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CN1CCN(C)CC1 ZINC000114379179 524779229 /nfs/dbraw/zinc/77/92/29/524779229.db2.gz RCZPEPKYSDSPMR-CYBMUJFWSA-N 0 3 359.430 1.689 20 5 FDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000123658886 524801814 /nfs/dbraw/zinc/80/18/14/524801814.db2.gz IHNZAMQJDOKDMQ-INIZCTEOSA-N 0 3 370.409 1.822 20 5 FDBDHN CNC(=O)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174999810 524826806 /nfs/dbraw/zinc/82/68/06/524826806.db2.gz ZZQSBANYEWUZIR-OAHLLOKOSA-N 0 3 351.403 1.183 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000152671011 524967191 /nfs/dbraw/zinc/96/71/91/524967191.db2.gz YJHKGRNSBFZPRT-KRWDZBQOSA-N 0 3 374.441 1.292 20 5 FDBDHN CCN1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000152811333 525014598 /nfs/dbraw/zinc/01/45/98/525014598.db2.gz PZYHAWSWJJMNGF-UHFFFAOYSA-N 0 3 356.448 1.377 20 5 FDBDHN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000152875750 525035289 /nfs/dbraw/zinc/03/52/89/525035289.db2.gz LTDKFMXZSVHPOK-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000152882727 525038304 /nfs/dbraw/zinc/03/83/04/525038304.db2.gz MCLRYUPLAGZFRG-YPMHNXCESA-N 0 3 357.407 1.839 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152901492 525043707 /nfs/dbraw/zinc/04/37/07/525043707.db2.gz ZXDPVPPYSQAIMP-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000161735654 525159902 /nfs/dbraw/zinc/15/99/02/525159902.db2.gz NYRDSDSHZREOHA-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000161735654 525159909 /nfs/dbraw/zinc/15/99/09/525159909.db2.gz NYRDSDSHZREOHA-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1 ZINC000161738691 525162208 /nfs/dbraw/zinc/16/22/08/525162208.db2.gz IGIJPNIVYBPKKI-AWEZNQCLSA-N 0 3 357.432 1.110 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000126096033 525270682 /nfs/dbraw/zinc/27/06/82/525270682.db2.gz VTHDMOXXEJJDRF-HNNXBMFYSA-N 0 3 374.441 1.496 20 5 FDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000154654179 525600675 /nfs/dbraw/zinc/60/06/75/525600675.db2.gz MXKZGUOCIHZAOQ-CYBMUJFWSA-N 0 3 352.410 1.276 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCN(CCCc2ccccc2)CC1 ZINC000170636493 525652690 /nfs/dbraw/zinc/65/26/90/525652690.db2.gz YHDKXUSCJWIPIK-UHFFFAOYSA-N 0 3 371.441 1.958 20 5 FDBDHN COc1ccc(OCCN2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000119501545 525767775 /nfs/dbraw/zinc/76/77/75/525767775.db2.gz HAERTEDSRZTISR-CQSZACIVSA-N 0 3 361.402 1.986 20 5 FDBDHN CCc1ccc([C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000131453472 525859978 /nfs/dbraw/zinc/85/99/78/525859978.db2.gz QAGCKZWZRGFSOA-QGZVFWFLSA-N 0 3 374.445 1.956 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000171125928 525860020 /nfs/dbraw/zinc/86/00/20/525860020.db2.gz ZGPVSOHMYPSFOW-UHFFFAOYSA-N 0 3 366.374 1.734 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1C ZINC000131444815 525860407 /nfs/dbraw/zinc/86/04/07/525860407.db2.gz FKNGSFGEGOZQDW-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN CN1CC[C@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000131977776 525925302 /nfs/dbraw/zinc/92/53/02/525925302.db2.gz HABWJWMCZWZWBH-QMMMGPOBSA-N 0 3 355.811 1.733 20 5 FDBDHN COCCCN1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171412428 525983211 /nfs/dbraw/zinc/98/32/11/525983211.db2.gz SJDJLZXWPQZGSP-UHFFFAOYSA-N 0 3 365.430 1.981 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)c1[N+](=O)[O-] ZINC000109627879 526140917 /nfs/dbraw/zinc/14/09/17/526140917.db2.gz ROIUOQSPZGKBQL-UHFFFAOYSA-N 0 3 374.401 1.636 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 ZINC000183487063 535991068 /nfs/dbraw/zinc/99/10/68/535991068.db2.gz UWIKDENGESLKFI-AWEZNQCLSA-N 0 3 353.444 1.541 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000184029112 536082911 /nfs/dbraw/zinc/08/29/11/536082911.db2.gz UCCJBCZEBUUJSI-DOTOQJQBSA-N 0 3 374.441 1.576 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184383961 536142672 /nfs/dbraw/zinc/14/26/72/536142672.db2.gz XRWZLXPEHGOPGS-KGLIPLIRSA-N 0 3 366.437 1.980 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000184488615 536156998 /nfs/dbraw/zinc/15/69/98/536156998.db2.gz KRZLHMJGKNMIRG-UHFFFAOYSA-N 0 3 357.432 1.125 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000185282318 536204316 /nfs/dbraw/zinc/20/43/16/536204316.db2.gz UKOIWOKBCQVRFN-UHFFFAOYSA-N 0 3 363.462 1.810 20 5 FDBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186312275 536231790 /nfs/dbraw/zinc/23/17/90/536231790.db2.gz FDYAYTKJIHRJRM-MRXNPFEDSA-N 0 3 357.414 1.914 20 5 FDBDHN CN(C)[C@]1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCSC1 ZINC000267151074 536961262 /nfs/dbraw/zinc/96/12/62/536961262.db2.gz WTIWHRBGOGARJP-HNNXBMFYSA-N 0 3 357.407 1.666 20 5 FDBDHN COC(=O)[C@]1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189111550 536998851 /nfs/dbraw/zinc/99/88/51/536998851.db2.gz XLCOJOVRNNXNHO-MRXNPFEDSA-N 0 3 353.350 1.948 20 5 FDBDHN Cc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000263659057 537055571 /nfs/dbraw/zinc/05/55/71/537055571.db2.gz CAFYBNLAFKFEDK-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000263664942 537057609 /nfs/dbraw/zinc/05/76/09/537057609.db2.gz FIBGVAKHCWIJGW-NSHDSACASA-N 0 3 366.447 1.659 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247471062 537122890 /nfs/dbraw/zinc/12/28/90/537122890.db2.gz RXCWXGZONZIOOY-TZMCWYRMSA-N 0 3 351.403 1.781 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000247673511 537144640 /nfs/dbraw/zinc/14/46/40/537144640.db2.gz ZXDPVPPYSQAIMP-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000249281780 537231809 /nfs/dbraw/zinc/23/18/09/537231809.db2.gz MVMZHIRZHOHABH-KGLIPLIRSA-N 0 3 353.419 1.369 20 5 FDBDHN CC(C)(CO)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293147461 537367922 /nfs/dbraw/zinc/36/79/22/537367922.db2.gz UASOLXSECMTUCF-OAHLLOKOSA-N 0 3 356.444 1.755 20 5 FDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285938488 537376711 /nfs/dbraw/zinc/37/67/11/537376711.db2.gz LZZDNSSHRUKKGA-PMPSAXMXSA-N 0 3 365.430 1.130 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000299133258 537451985 /nfs/dbraw/zinc/45/19/85/537451985.db2.gz OKTONOQMYMKLPH-MRXNPFEDSA-N 0 3 357.414 1.962 20 5 FDBDHN CN(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290097674 537670199 /nfs/dbraw/zinc/67/01/99/537670199.db2.gz HUONMOBKTXTKPY-UKRRQHHQSA-N 0 3 355.460 1.787 20 5 FDBDHN CN1CCN(Cc2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000294463763 537700457 /nfs/dbraw/zinc/70/04/57/537700457.db2.gz LTVNZHJUAAMCSL-UHFFFAOYSA-N 0 3 362.474 1.886 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296513935 537714480 /nfs/dbraw/zinc/71/44/80/537714480.db2.gz KISCXGWUNUQISS-GFCCVEGCSA-N 0 3 366.393 1.971 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000298224188 537717612 /nfs/dbraw/zinc/71/76/12/537717612.db2.gz IMHHONDCMZKWGP-QGZVFWFLSA-N 0 3 374.441 1.638 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411540799 537763522 /nfs/dbraw/zinc/76/35/22/537763522.db2.gz XIVOCUVOUWSQKN-XJKSGUPXSA-N 0 3 360.414 1.927 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415221196 537980205 /nfs/dbraw/zinc/98/02/05/537980205.db2.gz ZUQZBJARZLTLRR-UHFFFAOYSA-N 0 3 368.393 1.838 20 5 FDBDHN Cc1cccnc1NC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000377956478 538050021 /nfs/dbraw/zinc/05/00/21/538050021.db2.gz ZOBUARCHPFAQTK-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423629438 538124463 /nfs/dbraw/zinc/12/44/63/538124463.db2.gz XHOWSVQUTRUSOJ-NVXWUHKLSA-N 0 3 374.441 1.641 20 5 FDBDHN CCN1CC[NH+](CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000432492124 538152644 /nfs/dbraw/zinc/15/26/44/538152644.db2.gz FTDNCHIQNOUUFO-UHFFFAOYSA-N 0 3 350.419 1.448 20 5 FDBDHN CC[NH+]1CCN(CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000432492124 538152651 /nfs/dbraw/zinc/15/26/51/538152651.db2.gz FTDNCHIQNOUUFO-UHFFFAOYSA-N 0 3 350.419 1.448 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424223643 538259677 /nfs/dbraw/zinc/25/96/77/538259677.db2.gz IJLGGFJRFJBNQG-UONOGXRCSA-N 0 3 358.402 1.084 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000452388379 538390995 /nfs/dbraw/zinc/39/09/95/538390995.db2.gz JIXCJQRXLVYRHC-KRWDZBQOSA-N 0 3 364.446 1.750 20 5 FDBDHN C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000477124787 538601530 /nfs/dbraw/zinc/60/15/30/538601530.db2.gz FQSHTVFVVMSQIY-VXGBXAGGSA-N 0 3 356.448 1.740 20 5 FDBDHN C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000477124784 538602469 /nfs/dbraw/zinc/60/24/69/538602469.db2.gz FQSHTVFVVMSQIY-NEPJUHHUSA-N 0 3 356.448 1.740 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC/C=C/c1ccncc1 ZINC000487267558 538625344 /nfs/dbraw/zinc/62/53/44/538625344.db2.gz KSMDAXAGQAXGLV-ONEGZZNKSA-N 0 3 362.411 1.571 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000472735031 538688766 /nfs/dbraw/zinc/68/87/66/538688766.db2.gz KKOORJZISBTJHI-JTQLQIEISA-N 0 3 350.350 1.439 20 5 FDBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000560692627 545581300 /nfs/dbraw/zinc/58/13/00/545581300.db2.gz MHRMPTBGKMXRAY-UHFFFAOYSA-N 0 3 361.324 1.853 20 5 FDBDHN COCCn1cc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000502317107 538736181 /nfs/dbraw/zinc/73/61/81/538736181.db2.gz DRJIUTIEAXSGNQ-CYBMUJFWSA-N 0 3 361.402 1.945 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000498324869 538824277 /nfs/dbraw/zinc/82/42/77/538824277.db2.gz IVCJOIXTRUATQX-UHFFFAOYSA-N 0 3 361.402 1.654 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000563618397 546618499 /nfs/dbraw/zinc/61/84/99/546618499.db2.gz VFNIYDDZYWUTBL-RNJTYBCJSA-N 0 3 366.414 1.651 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000564666417 546996202 /nfs/dbraw/zinc/99/62/02/546996202.db2.gz IKWGHGBZYSAHCD-HNNXBMFYSA-N 0 3 373.331 1.800 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000564702201 547007064 /nfs/dbraw/zinc/00/70/64/547007064.db2.gz GWUYTZSQPOFQSP-CVEARBPZSA-N 0 3 363.418 1.562 20 5 FDBDHN Cc1ccc([C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000564847112 547064737 /nfs/dbraw/zinc/06/47/37/547064737.db2.gz JEYZSTNAOTUUBZ-CVEARBPZSA-N 0 3 363.418 1.480 20 5 FDBDHN Cc1cccc(C[C@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000564975939 547137603 /nfs/dbraw/zinc/13/76/03/547137603.db2.gz OJDFHLXJFFSQTR-SJORKVTESA-N 0 3 360.410 1.836 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000566008889 547564573 /nfs/dbraw/zinc/56/45/73/547564573.db2.gz PYNYQJFGPPMESV-GFCCVEGCSA-N 0 3 364.793 1.776 20 5 FDBDHN CC(C)(C)N1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000566111033 547609245 /nfs/dbraw/zinc/60/92/45/547609245.db2.gz WOBYFOKMFOGGGL-CHWSQXEVSA-N 0 3 351.403 1.324 20 5 FDBDHN CCOc1ccc([C@@H](C)NCC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000566988779 547955806 /nfs/dbraw/zinc/95/58/06/547955806.db2.gz HWRNFRBTPRPHSY-GFCCVEGCSA-N 0 3 372.443 1.584 20 5 FDBDHN CO[C@H](c1ccccc1F)[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567686722 548213564 /nfs/dbraw/zinc/21/35/64/548213564.db2.gz XWHGNQIMQBOYSV-RBOXIYTFSA-N 0 3 352.366 1.657 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000569095741 548794551 /nfs/dbraw/zinc/79/45/51/548794551.db2.gz JEANMICCUALDHT-HEHGZKQESA-N 0 3 373.413 1.108 20 5 FDBDHN Cc1nn(-c2ccccc2)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571993621 549819159 /nfs/dbraw/zinc/81/91/59/549819159.db2.gz KJUULSKASAHJQP-QGZVFWFLSA-N 0 3 356.386 1.436 20 5 FDBDHN CS(=O)(=O)c1cc(C(=O)N2CC3CCC2(CN)CC3)cc([N+](=O)[O-])c1 ZINC000574215406 550277374 /nfs/dbraw/zinc/27/73/74/550277374.db2.gz HCDLHVRHKUAGIN-UHFFFAOYSA-N 0 3 367.427 1.342 20 5 FDBDHN CCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000574234965 550280579 /nfs/dbraw/zinc/28/05/79/550280579.db2.gz WBXXPTQZKGLWPQ-AWEZNQCLSA-N 0 3 350.375 1.349 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(CO)c(F)c2)c1 ZINC000574313224 550294149 /nfs/dbraw/zinc/29/41/49/550294149.db2.gz RDVLMVWVBWNJNR-OAHLLOKOSA-N 0 3 350.346 1.756 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000574926898 550394526 /nfs/dbraw/zinc/39/45/26/550394526.db2.gz QMUVCZXFAXFCCV-UKRRQHHQSA-N 0 3 364.446 1.346 20 5 FDBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CN2CCN1CCC2 ZINC000575843918 550481729 /nfs/dbraw/zinc/48/17/29/550481729.db2.gz DJDCBVAGZYJERC-KRWDZBQOSA-N 0 3 357.414 1.125 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000577435518 550656148 /nfs/dbraw/zinc/65/61/48/550656148.db2.gz KOWFVERNNLATFF-HNNXBMFYSA-N 0 3 360.414 1.216 20 5 FDBDHN COC(=O)c1cc(C(=O)NCCCNCc2cccnc2)cc([N+](=O)[O-])c1 ZINC000577508436 550664522 /nfs/dbraw/zinc/66/45/22/550664522.db2.gz MYZRDALQYJUHRI-UHFFFAOYSA-N 0 3 372.381 1.686 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000578764911 550799470 /nfs/dbraw/zinc/79/94/70/550799470.db2.gz WINUESAZMFXAQZ-MRXNPFEDSA-N 0 3 351.428 1.260 20 5 FDBDHN CSC1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN(C)CC1 ZINC000582791615 551267549 /nfs/dbraw/zinc/26/75/49/551267549.db2.gz AMASHSJGEZVGGL-UHFFFAOYSA-N 0 3 367.427 1.881 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)c2cccnc2)cc1 ZINC000582964396 551286113 /nfs/dbraw/zinc/28/61/13/551286113.db2.gz BMNQBHLSVARPRB-AWEZNQCLSA-N 0 3 365.411 1.129 20 5 FDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000583953682 551425985 /nfs/dbraw/zinc/42/59/85/551425985.db2.gz VDUPNKKPYDPABG-GOSISDBHSA-N 0 3 361.398 1.924 20 5 FDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000584231453 551467659 /nfs/dbraw/zinc/46/76/59/551467659.db2.gz VMLSIMYOKJXRPR-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586768014 551616629 /nfs/dbraw/zinc/61/66/29/551616629.db2.gz XUOHPONIVUQXPG-INIZCTEOSA-N 0 3 368.384 1.787 20 5 FDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860084 551693858 /nfs/dbraw/zinc/69/38/58/551693858.db2.gz DEIBBICOJNXGEP-HOTGVXAUSA-N 0 3 374.441 1.476 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566271 551793148 /nfs/dbraw/zinc/79/31/48/551793148.db2.gz XFTWXKIGSUSPPY-MSOLQXFVSA-N 0 3 372.425 1.940 20 5 FDBDHN Nc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)nc1[N+](=O)[O-] ZINC000590576812 551794200 /nfs/dbraw/zinc/79/42/00/551794200.db2.gz OPRFNLYJYUOGMC-UHFFFAOYSA-N 0 3 357.414 2.141 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590751856 551812234 /nfs/dbraw/zinc/81/22/34/551812234.db2.gz IWMQSMHVBSDSMS-KGLIPLIRSA-N 0 3 356.400 1.300 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590926394 551827328 /nfs/dbraw/zinc/82/73/28/551827328.db2.gz SKZVYPMSSNWXPW-AWEZNQCLSA-N 0 3 362.434 1.306 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000591012803 551835240 /nfs/dbraw/zinc/83/52/40/551835240.db2.gz DUWGRUWUJRPPAE-AWEZNQCLSA-N 0 3 360.414 1.751 20 5 FDBDHN Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000592244336 551966457 /nfs/dbraw/zinc/96/64/57/551966457.db2.gz ASVLRMMSEUDKLC-OAHLLOKOSA-N 0 3 358.402 1.554 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592248832 551967289 /nfs/dbraw/zinc/96/72/89/551967289.db2.gz BMVHDMXGAFFAJX-LLVKDONJSA-N 0 3 365.390 1.187 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000592368141 551985156 /nfs/dbraw/zinc/98/51/56/551985156.db2.gz VZJQWCQQSGODCH-SECBINFHSA-N 0 3 367.349 1.892 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2cnc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000592540941 552006530 /nfs/dbraw/zinc/00/65/30/552006530.db2.gz XOLFZOKDJLAOQA-UHFFFAOYSA-N 0 3 369.381 1.312 20 5 FDBDHN CC(C)c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592873670 552037579 /nfs/dbraw/zinc/03/75/79/552037579.db2.gz QGWZSBYVTPKHEJ-CYBMUJFWSA-N 0 3 362.430 1.910 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CC(N)=O)C2CCOCC2)c1 ZINC000593022104 552053644 /nfs/dbraw/zinc/05/36/44/552053644.db2.gz BMBFSOXYGABDJB-CQSZACIVSA-N 0 3 365.386 1.142 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000593020078 552053719 /nfs/dbraw/zinc/05/37/19/552053719.db2.gz ISACSCJJGVZAKU-GJZGRUSLSA-N 0 3 353.444 1.859 20 5 FDBDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593091942 552060839 /nfs/dbraw/zinc/06/08/39/552060839.db2.gz NYFVKTCGGPBLFO-UKRRQHHQSA-N 0 3 368.434 1.739 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593514847 552120794 /nfs/dbraw/zinc/12/07/94/552120794.db2.gz BGIZXEZDBYTNEF-UHFFFAOYSA-N 0 3 370.475 1.767 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)nc1 ZINC000593567391 552136750 /nfs/dbraw/zinc/13/67/50/552136750.db2.gz QMDJPEITUGGRLT-IUODEOHRSA-N 0 3 366.443 1.627 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594327977 552289822 /nfs/dbraw/zinc/28/98/22/552289822.db2.gz YINMQLCITVTKOV-GDBMZVCRSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594418175 552306697 /nfs/dbraw/zinc/30/66/97/552306697.db2.gz GVIPBASAOVKSPO-RRQGHBQHSA-N 0 3 374.441 1.846 20 5 FDBDHN C[C@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000594500374 552326394 /nfs/dbraw/zinc/32/63/94/552326394.db2.gz RUSCTKBCIPDPGV-RYUDHWBXSA-N 0 3 359.473 1.747 20 5 FDBDHN CC(C)Oc1nc(N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000594556344 552333813 /nfs/dbraw/zinc/33/38/13/552333813.db2.gz PNLLHHGAGVYJOM-OAHLLOKOSA-N 0 3 363.462 1.993 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN4C[C@H](O)C[C@H]4C3)cs2)c1 ZINC000594611507 552340555 /nfs/dbraw/zinc/34/05/55/552340555.db2.gz GPZDMVAYVNUOQC-JKSUJKDBSA-N 0 3 360.439 1.969 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594621962 552343129 /nfs/dbraw/zinc/34/31/29/552343129.db2.gz KVHJGIZMIMHNIK-NVXWUHKLSA-N 0 3 374.441 1.653 20 5 FDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000594775918 552380432 /nfs/dbraw/zinc/38/04/32/552380432.db2.gz LLJSDGITJPHYIV-NSHDSACASA-N 0 3 352.416 1.619 20 5 FDBDHN CO[C@]1(CO)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000595658045 552598212 /nfs/dbraw/zinc/59/82/12/552598212.db2.gz GXXAADKTPBKDOR-QGZVFWFLSA-N 0 3 365.386 1.366 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@](CO)(OC)C1 ZINC000595661547 552599353 /nfs/dbraw/zinc/59/93/53/552599353.db2.gz WOWKTEJCMNXSCP-KRWDZBQOSA-N 0 3 367.402 1.405 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595729929 552607801 /nfs/dbraw/zinc/60/78/01/552607801.db2.gz WZZIXHOFYKHURJ-JSGCOSHPSA-N 0 3 374.397 1.493 20 5 FDBDHN CN(C)C(=O)N(C)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595823048 552619898 /nfs/dbraw/zinc/61/98/98/552619898.db2.gz DZROIYCIZLYYJJ-ZDUSSCGKSA-N 0 3 363.418 1.611 20 5 FDBDHN CCOc1ccc(NC(=O)CN(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595909192 552631972 /nfs/dbraw/zinc/63/19/72/552631972.db2.gz QFXJEVSEYLMKBR-GFCCVEGCSA-N 0 3 364.324 1.753 20 5 FDBDHN NCC12CC(C1)CN2C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595988044 552641504 /nfs/dbraw/zinc/64/15/04/552641504.db2.gz NKIATXZEMJUNET-UHFFFAOYSA-N 0 3 358.398 1.036 20 5 FDBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1CCOC ZINC000596176526 552662381 /nfs/dbraw/zinc/66/23/81/552662381.db2.gz HQMWZTLCXPIOGB-AWEZNQCLSA-N 0 3 350.419 1.631 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596209823 552664877 /nfs/dbraw/zinc/66/48/77/552664877.db2.gz SDQIJAMHTQWBEZ-SFHVURJKSA-N 0 3 357.414 1.645 20 5 FDBDHN CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596250619 552668481 /nfs/dbraw/zinc/66/84/81/552668481.db2.gz IWIDIOVTHRRVIF-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN NC(=O)c1ccnc(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596436259 552679246 /nfs/dbraw/zinc/67/92/46/552679246.db2.gz JCMOSHZKMZGHBV-UHFFFAOYSA-N 0 3 370.413 1.808 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597207861 552760543 /nfs/dbraw/zinc/76/05/43/552760543.db2.gz HWNMWPXRLRXZAP-BZPMIXESSA-N 0 3 369.443 1.867 20 5 FDBDHN C[C@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597574882 552806868 /nfs/dbraw/zinc/80/68/68/552806868.db2.gz SXCPYQJGKZEETI-SJCJKPOMSA-N 0 3 353.394 1.753 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598188431 552874026 /nfs/dbraw/zinc/87/40/26/552874026.db2.gz SLJWTSSTJBCAEB-UHFFFAOYSA-N 0 3 361.402 1.168 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000598341657 552887337 /nfs/dbraw/zinc/88/73/37/552887337.db2.gz FLHXKPWSFKPFPS-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598535853 552906744 /nfs/dbraw/zinc/90/67/44/552906744.db2.gz JSZRMYHXDPMUBB-CYBMUJFWSA-N 0 3 362.430 1.892 20 5 FDBDHN CN(C)[C@]1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCSC1 ZINC000598602342 552913986 /nfs/dbraw/zinc/91/39/86/552913986.db2.gz SGCFBLRHSAWFMO-HNNXBMFYSA-N 0 3 368.463 1.071 20 5 FDBDHN COc1ccc(OCCN[C@@H]2CCO[C@@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000599684684 553121384 /nfs/dbraw/zinc/12/13/84/553121384.db2.gz GAYNIQAWPXBTGL-DOMZBBRYSA-N 0 3 364.358 1.793 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599688313 553122031 /nfs/dbraw/zinc/12/20/31/553122031.db2.gz CIYDUMOHHFOOOT-FQLMCAECSA-N 0 3 366.414 1.997 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694501 553123702 /nfs/dbraw/zinc/12/37/02/553123702.db2.gz IBGZLQAWOCBOGI-LXTVHRRPSA-N 0 3 366.414 1.997 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601136428 553351830 /nfs/dbraw/zinc/35/18/30/553351830.db2.gz RRAZNGCEIAFWPS-UHFFFAOYSA-N 0 3 366.393 1.406 20 5 FDBDHN CN(C)CCCS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000601405502 553396491 /nfs/dbraw/zinc/39/64/91/553396491.db2.gz VZQATLLQHMMIMI-UHFFFAOYSA-N 0 3 369.365 1.985 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000602783304 553637993 /nfs/dbraw/zinc/63/79/93/553637993.db2.gz KQWABUSKOUFKAR-MRXNPFEDSA-N 0 3 350.467 1.200 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000603279179 553751979 /nfs/dbraw/zinc/75/19/79/553751979.db2.gz PBPYCGAFNFKORA-QWHCGFSZSA-N 0 3 373.461 1.682 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000603619762 553807139 /nfs/dbraw/zinc/80/71/39/553807139.db2.gz DVPBPZIYFZZALY-UHFFFAOYSA-N 0 3 359.386 1.477 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCCS1(=O)=O ZINC000609440646 554376796 /nfs/dbraw/zinc/37/67/96/554376796.db2.gz BEDRDRMAUNYSSH-UHFFFAOYSA-N 0 3 357.432 1.509 20 5 FDBDHN O=C(NCCN1CCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609555206 554392275 /nfs/dbraw/zinc/39/22/75/554392275.db2.gz CTPBHIOHODUCHH-GFCCVEGCSA-N 0 3 350.375 1.004 20 5 FDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000609620085 554403104 /nfs/dbraw/zinc/40/31/04/554403104.db2.gz WQAZTZPYQIFGJU-IBGZPJMESA-N 0 3 355.394 1.848 20 5 FDBDHN CC1CCC(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000609652792 554408151 /nfs/dbraw/zinc/40/81/51/554408151.db2.gz HJQUAFHZAMWPEJ-UHFFFAOYSA-N 0 3 362.430 1.479 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000609841131 554427877 /nfs/dbraw/zinc/42/78/77/554427877.db2.gz CCDLGHLGNDCLTI-OCCSQVGLSA-N 0 3 366.466 1.675 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000610654041 554544839 /nfs/dbraw/zinc/54/48/39/554544839.db2.gz DELBNFFWWRYJSM-NWDGAFQWSA-N 0 3 374.397 1.062 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000610819606 554567006 /nfs/dbraw/zinc/56/70/06/554567006.db2.gz AMRZOBIQJPUJIC-IRXDYDNUSA-N 0 3 362.474 1.960 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610892258 554576773 /nfs/dbraw/zinc/57/67/73/554576773.db2.gz WVFMOJKAYFKVTG-WBVHZDCISA-N 0 3 374.441 1.657 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611091980 554604240 /nfs/dbraw/zinc/60/42/40/554604240.db2.gz FLOSYKHVBWXOIF-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000611185720 554613481 /nfs/dbraw/zinc/61/34/81/554613481.db2.gz TZRBJVMJZYNVEM-HOTGVXAUSA-N 0 3 354.410 1.825 20 5 FDBDHN COc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000611255858 554619919 /nfs/dbraw/zinc/61/99/19/554619919.db2.gz OLISSJAODDEWRT-CYBMUJFWSA-N 0 3 352.410 1.959 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611558428 554646127 /nfs/dbraw/zinc/64/61/27/554646127.db2.gz ITDKWKSAMWUFCD-OAHLLOKOSA-N 0 3 362.430 1.541 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611558428 554646130 /nfs/dbraw/zinc/64/61/30/554646130.db2.gz ITDKWKSAMWUFCD-OAHLLOKOSA-N 0 3 362.430 1.541 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611558428 554646132 /nfs/dbraw/zinc/64/61/32/554646132.db2.gz ITDKWKSAMWUFCD-OAHLLOKOSA-N 0 3 362.430 1.541 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611708426 554669553 /nfs/dbraw/zinc/66/95/53/554669553.db2.gz VEXMFIFSQZMCMA-UHFFFAOYSA-N 0 3 372.429 1.893 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000611772992 554679078 /nfs/dbraw/zinc/67/90/78/554679078.db2.gz OOASPIVAHKNZNF-KRWDZBQOSA-N 0 3 359.430 1.763 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618588139 555653186 /nfs/dbraw/zinc/65/31/86/555653186.db2.gz PZZMOINSSAGTAE-OAHLLOKOSA-N 0 3 358.402 1.390 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000619254535 555745429 /nfs/dbraw/zinc/74/54/29/555745429.db2.gz MDDXZIXGYAMJEX-QGZVFWFLSA-N 0 3 367.402 1.141 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000619491972 555787799 /nfs/dbraw/zinc/78/77/99/555787799.db2.gz IUPYOLMNJWCMSH-CHWSQXEVSA-N 0 3 369.443 1.708 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000619567159 555800076 /nfs/dbraw/zinc/80/00/76/555800076.db2.gz XGSZLIZEFOLFLD-ZDUSSCGKSA-N 0 3 358.402 1.732 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272311893 674430634 /nfs/dbraw/zinc/43/06/34/674430634.db2.gz IIVZGMQOSZCIHY-RYUDHWBXSA-N 0 3 367.456 1.717 20 5 FDBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736227029 598498821 /nfs/dbraw/zinc/49/88/21/598498821.db2.gz YMPVNGIMEZSQAI-UTUOFQBUSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736227029 598498823 /nfs/dbraw/zinc/49/88/23/598498823.db2.gz YMPVNGIMEZSQAI-UTUOFQBUSA-N 0 3 360.422 1.948 20 5 FDBDHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134627 598523009 /nfs/dbraw/zinc/52/30/09/598523009.db2.gz KVDWRDCZPOVMHK-MNOVXSKESA-N 0 3 369.389 1.364 20 5 FDBDHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134627 598523010 /nfs/dbraw/zinc/52/30/10/598523010.db2.gz KVDWRDCZPOVMHK-MNOVXSKESA-N 0 3 369.389 1.364 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000273141079 674510455 /nfs/dbraw/zinc/51/04/55/674510455.db2.gz KDASORDXMKTEOV-LSDHHAIUSA-N 0 3 350.346 1.797 20 5 FDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276260419 674725820 /nfs/dbraw/zinc/72/58/20/674725820.db2.gz UCTUMGOLVANMIP-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000277364843 674925776 /nfs/dbraw/zinc/92/57/76/674925776.db2.gz VBMULDYATZGKSF-ZDUSSCGKSA-N 0 3 369.443 1.555 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277399614 674934910 /nfs/dbraw/zinc/93/49/10/674934910.db2.gz JRSLQVUPDGSGNM-LBPRGKRZSA-N 0 3 354.432 1.671 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292116084 676284458 /nfs/dbraw/zinc/28/44/58/676284458.db2.gz WCWWEDBIBHTTFT-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292677541 676304525 /nfs/dbraw/zinc/30/45/25/676304525.db2.gz BOPPNBMDTSTYMK-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000294241623 676379473 /nfs/dbraw/zinc/37/94/73/676379473.db2.gz XLVFCICAFAFIDJ-UHFFFAOYSA-N 0 3 351.338 1.510 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000298631694 676483834 /nfs/dbraw/zinc/48/38/34/676483834.db2.gz QNXCFTJKHCKEBB-GFCCVEGCSA-N 0 3 373.812 1.893 20 5 FDBDHN CN1CCC2(CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364641086 677037932 /nfs/dbraw/zinc/03/79/32/677037932.db2.gz IFKPMLQEZWGOJC-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN CN1C(=O)CSC12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000371619434 677743176 /nfs/dbraw/zinc/74/31/76/677743176.db2.gz RXFAHWGFUDZYSK-UHFFFAOYSA-N 0 3 351.428 1.971 20 5 FDBDHN Cc1cc(OCC(=O)N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000413797298 679298353 /nfs/dbraw/zinc/29/83/53/679298353.db2.gz IONSGQOSRVJPBG-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000416392955 679601587 /nfs/dbraw/zinc/60/15/87/679601587.db2.gz UBQGZUWMQDWJOP-NSHDSACASA-N 0 3 371.415 1.096 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000421020214 680590148 /nfs/dbraw/zinc/59/01/48/680590148.db2.gz NORHKFZIVNWTHN-UHFFFAOYSA-N 0 3 357.432 1.110 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425807729 680932232 /nfs/dbraw/zinc/93/22/32/680932232.db2.gz GOQWXBRRWUHREB-IINYFYTJSA-N 0 3 366.805 1.739 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)n1 ZINC000427697067 680981558 /nfs/dbraw/zinc/98/15/58/680981558.db2.gz LTVXSFWZHLFSTN-DGCLKSJQSA-N 0 3 353.448 1.463 20 5 FDBDHN CS[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000442560527 682158284 /nfs/dbraw/zinc/15/82/84/682158284.db2.gz WZTCFSJIVOYXPK-CHWSQXEVSA-N 0 3 352.416 1.037 20 5 FDBDHN COCCN1CCC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450307550 682752037 /nfs/dbraw/zinc/75/20/37/682752037.db2.gz HFGRRJUBLUHZMH-AWEZNQCLSA-N 0 3 351.403 1.833 20 5 FDBDHN O=C1CC[C@@H](N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451918613 682968236 /nfs/dbraw/zinc/96/82/36/682968236.db2.gz QONQPESOEAMPOA-CYBMUJFWSA-N 0 3 350.394 1.520 20 5 FDBDHN COc1cc(S(=O)(=O)NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000452082321 683019673 /nfs/dbraw/zinc/01/96/73/683019673.db2.gz JRERPYUQLWHHLM-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475708020 685630078 /nfs/dbraw/zinc/63/00/78/685630078.db2.gz FDLYCWBGHYBWOH-UKRRQHHQSA-N 0 3 352.387 1.739 20 5 FDBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000457848404 683793764 /nfs/dbraw/zinc/79/37/64/683793764.db2.gz JPWYQTLBRIAOFF-XJKSGUPXSA-N 0 3 350.419 1.802 20 5 FDBDHN CN(C)CCN(Cc1ccsc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000458207053 683841028 /nfs/dbraw/zinc/84/10/28/683841028.db2.gz VKJPJIDFBSWZMK-UHFFFAOYSA-N 0 3 351.432 1.833 20 5 FDBDHN COc1cc(C(=O)NC2(CCO)CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000480540346 686188877 /nfs/dbraw/zinc/18/88/77/686188877.db2.gz NIOCQKPQPUAPRU-UHFFFAOYSA-N 0 3 351.403 1.488 20 5 FDBDHN C[C@H]1CN(CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000490098449 687132409 /nfs/dbraw/zinc/13/24/09/687132409.db2.gz CEXAXAKXCQEAPV-STQMWFEESA-N 0 3 350.419 1.995 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000499895068 688001673 /nfs/dbraw/zinc/00/16/73/688001673.db2.gz HSNFMLAHGPZNBS-CQSZACIVSA-N 0 3 353.423 1.059 20 5 FDBDHN COc1c(C(=O)NCCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000508333000 688727753 /nfs/dbraw/zinc/72/77/53/688727753.db2.gz KDXQVBZDVNHYHS-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN COc1cc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510811263 689424718 /nfs/dbraw/zinc/42/47/18/689424718.db2.gz OPIDOHFMQUEPSK-STQMWFEESA-N 0 3 357.432 1.553 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164683724 719727381 /nfs/dbraw/zinc/72/73/81/719727381.db2.gz DKKBKCLCEORSSU-UHFFFAOYSA-N 0 3 372.429 1.652 20 5 FDBDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365019600 785257086 /nfs/dbraw/zinc/25/70/86/785257086.db2.gz QSTCJVULTWMXJL-LSDHHAIUSA-N 0 3 360.414 1.948 20 5 FDBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN2CCC1CC2 ZINC000892767615 791149830 /nfs/dbraw/zinc/14/98/30/791149830.db2.gz XUCPIOPYEKICDN-SFHVURJKSA-N 0 3 355.398 1.995 20 5 FDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571660 787519080 /nfs/dbraw/zinc/51/90/80/787519080.db2.gz VFQYMFQLQROZQJ-NEPJUHHUSA-N 0 3 366.393 1.909 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCOc2cccc(F)c2)CC1 ZINC000981138660 807578628 /nfs/dbraw/zinc/57/86/28/807578628.db2.gz XJQSSUZQZJWNIO-HZPDHXFCSA-N 0 3 351.378 1.404 20 5 FDBDHN CCOc1cc(NC(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OCC ZINC000414757822 815211482 /nfs/dbraw/zinc/21/14/82/815211482.db2.gz LTODPEKTYXFARH-LLVKDONJSA-N 0 3 368.390 1.502 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418785557 809206254 /nfs/dbraw/zinc/20/62/54/809206254.db2.gz RCLHMRQDGATSRN-MISXGVKJSA-N 0 3 364.402 1.001 20 5 FDBDHN COC(=O)CC1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000280306918 811778009 /nfs/dbraw/zinc/77/80/09/811778009.db2.gz FWQDIBRRBDHEOQ-UHFFFAOYSA-N 0 3 361.398 1.949 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425016240 815501282 /nfs/dbraw/zinc/50/12/82/815501282.db2.gz WUHKBLQXVPXWIR-GOEBONIOSA-N 0 3 355.398 1.675 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000425059603 815510899 /nfs/dbraw/zinc/51/08/99/815510899.db2.gz SAMXYALVABNMRD-BLLLJJGKSA-N 0 3 356.386 1.342 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000501778750 813660419 /nfs/dbraw/zinc/66/04/19/813660419.db2.gz VQIVDRKVJDOERO-GJYPPUQNSA-N 0 3 373.457 1.747 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000427622662 820388216 /nfs/dbraw/zinc/38/82/16/820388216.db2.gz JPCCNRXCLJFPTO-SFHVURJKSA-N 0 3 373.413 1.178 20 5 FDBDHN CCOc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000508306396 820919292 /nfs/dbraw/zinc/91/92/92/820919292.db2.gz XFNPDSZCGVVKJH-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN CN1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1(C)C ZINC000442965382 821341873 /nfs/dbraw/zinc/34/18/73/821341873.db2.gz MDMQYEKSSLGMIO-UHFFFAOYSA-N 0 3 359.430 1.832 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C ZINC000897023609 826782025 /nfs/dbraw/zinc/78/20/25/826782025.db2.gz XETDOXFNGPIVOP-INIZCTEOSA-N 0 3 374.441 1.590 20 5 FDBDHN COC(=O)c1cc(N2CCN(C)CCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000897097752 827000262 /nfs/dbraw/zinc/00/02/62/827000262.db2.gz PNKNZJWKPGOAAI-UHFFFAOYSA-N 0 3 350.419 1.373 20 5 FDBDHN CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897219078 827178484 /nfs/dbraw/zinc/17/84/84/827178484.db2.gz JBEFCQWXCTWJEO-KBPBESRZSA-N 0 3 350.419 1.812 20 5 FDBDHN C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2)C1 ZINC000448519796 829159957 /nfs/dbraw/zinc/15/99/57/829159957.db2.gz LBFAOPUIHQGJRH-GFCCVEGCSA-N 0 3 372.385 1.483 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450101650 829812114 /nfs/dbraw/zinc/81/21/14/829812114.db2.gz CWAVNEXUBYESLZ-WFASDCNBSA-N 0 3 355.398 1.993 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CCN1 ZINC000450893894 830170557 /nfs/dbraw/zinc/17/05/57/830170557.db2.gz SOFRCAVNNFJOSA-CYBMUJFWSA-N 0 3 359.430 1.354 20 5 FDBDHN CCc1[nH]nc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428535433 832020498 /nfs/dbraw/zinc/02/04/98/832020498.db2.gz KACUTOLXSAZAQT-ZDUSSCGKSA-N 0 3 359.386 1.699 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428543054 832458243 /nfs/dbraw/zinc/45/82/43/832458243.db2.gz GSENVTDCQQWFMK-AWEZNQCLSA-N 0 3 356.382 1.996 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000459477335 838718273 /nfs/dbraw/zinc/71/82/73/838718273.db2.gz MDNGDNHSPDIHKE-RYUDHWBXSA-N 0 3 364.402 1.677 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000913103634 861425069 /nfs/dbraw/zinc/42/50/69/861425069.db2.gz NAWQFKNJXMETQI-GOEBONIOSA-N 0 3 357.414 1.818 20 5 FDBDHN Cc1ccc(-c2csc(CNCCNC(=O)[C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC001126936238 848586859 /nfs/dbraw/zinc/58/68/59/848586859.db2.gz CCSNGHVWEXUWQZ-UKRRQHHQSA-N 0 3 360.439 1.990 20 5 FDBDHN O=C(NCCNCc1csc(-c2ccsc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126948622 849051571 /nfs/dbraw/zinc/05/15/71/849051571.db2.gz FSMWHKCNGPKZHT-VXGBXAGGSA-N 0 3 352.441 1.743 20 5 FDBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000484637512 850999821 /nfs/dbraw/zinc/99/98/21/850999821.db2.gz HCYJHHGQWWQYJZ-PVXIVEMSSA-N 0 3 367.402 1.714 20 5 FDBDHN CCN1CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906673755 853142848 /nfs/dbraw/zinc/14/28/48/853142848.db2.gz WKKOCMQFIDMORB-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000249378966 857123041 /nfs/dbraw/zinc/12/30/41/857123041.db2.gz OPLOMLCKBVYHGZ-HUUCEWRRSA-N 0 3 367.446 1.112 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916666507 882022672 /nfs/dbraw/zinc/02/26/72/882022672.db2.gz PYYVOCIMAMYTGV-MNOVXSKESA-N 0 3 359.835 1.820 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCN1CCN(C)CC1 ZINC000492806029 870380918 /nfs/dbraw/zinc/38/09/18/870380918.db2.gz HPKUSRNGDMKDIC-UHFFFAOYSA-N 0 3 363.462 1.411 20 5 FDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC(=O)NCCN1CCCCC1 ZINC000915648682 877147563 /nfs/dbraw/zinc/14/75/63/877147563.db2.gz IXSKBUSHBFMYNQ-TWGQIWQCSA-N 0 3 360.414 1.326 20 5 FDBDHN C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272560689 877908280 /nfs/dbraw/zinc/90/82/80/877908280.db2.gz JOXAICRJTFMLQS-OAHLLOKOSA-N 0 3 363.462 1.935 20 5 FDBDHN COc1ccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001002782744 893939194 /nfs/dbraw/zinc/93/91/94/893939194.db2.gz OYSJSONXSVWYGI-UKRRQHHQSA-N 0 3 351.378 1.580 20 5 FDBDHN CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086084660 925921622 /nfs/dbraw/zinc/92/16/22/925921622.db2.gz ZZRYHDFMKOOVAM-WRWGMCAJSA-N 0 3 353.448 1.311 20 5 FDBDHN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044561 928236432 /nfs/dbraw/zinc/23/64/32/928236432.db2.gz IGZLEPZRJRVRBB-XQLPTFJDSA-N 0 3 350.419 1.884 20 5 FDBDHN COc1cc(OC)nc(CN2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169023193 928246217 /nfs/dbraw/zinc/24/62/17/928246217.db2.gz DKMSWZUXCMZVPH-KBPBESRZSA-N 0 3 365.434 1.057 20 5 FDBDHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047921 928255030 /nfs/dbraw/zinc/25/50/30/928255030.db2.gz SORSDFVTWRLHIA-AHIWAGSCSA-N 0 3 371.434 1.574 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000785803614 931627325 /nfs/dbraw/zinc/62/73/25/931627325.db2.gz XRYLZNAYFBGFCZ-OLZOCXBDSA-N 0 3 366.374 1.579 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804429112 938431280 /nfs/dbraw/zinc/43/12/80/938431280.db2.gz DFSPWUYGJDUBNN-UHFFFAOYSA-N 0 3 352.822 1.993 20 5 FDBDHN CCOC(=O)C1=C(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCNC1 ZINC001170521019 940297100 /nfs/dbraw/zinc/29/71/00/940297100.db2.gz DVTBXIWLSLPFEO-UHFFFAOYSA-N 0 3 369.399 1.221 20 5 FDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000810064211 940950977 /nfs/dbraw/zinc/95/09/77/940950977.db2.gz WNAIKJKWEAPVSY-UHFFFAOYSA-N 0 3 360.388 1.432 20 5 FDBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001132750215 941117779 /nfs/dbraw/zinc/11/77/79/941117779.db2.gz FFBFICZXUARIJO-KBPBESRZSA-N 0 3 374.401 1.406 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813102522 941325813 /nfs/dbraw/zinc/32/58/13/941325813.db2.gz HOSHFQDTKAEXIR-GFCCVEGCSA-N 0 3 372.443 1.861 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N+](=O)[O-] ZINC000813108144 941334141 /nfs/dbraw/zinc/33/41/41/941334141.db2.gz BCKJINRWFVYOTC-VIFPVBQESA-N 0 3 362.791 1.556 20 5 FDBDHN CC(COC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)[N+](=O)[O-] ZINC000813109106 941334211 /nfs/dbraw/zinc/33/42/11/941334211.db2.gz FKCZHYCWQKEWIX-WODVXLOZSA-N 0 3 370.402 1.657 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813112786 941335931 /nfs/dbraw/zinc/33/59/31/941335931.db2.gz LHKHFQWRCYLYAX-DZGCQCFKSA-N 0 3 370.427 1.437 20 5 FDBDHN CC(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112194 941335969 /nfs/dbraw/zinc/33/59/69/941335969.db2.gz NMAHJGPKIXSNEG-GXTWGEPZSA-N 0 3 356.400 1.438 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000813113874 941336386 /nfs/dbraw/zinc/33/63/86/941336386.db2.gz KFAGAJJJVVLBKD-OLZOCXBDSA-N 0 3 370.427 1.929 20 5 FDBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[N+](=O)[O-] ZINC000813114958 941336490 /nfs/dbraw/zinc/33/64/90/941336490.db2.gz YLBCXDVDTLUFQB-NSHDSACASA-N 0 3 374.390 1.435 20 5 FDBDHN COc1cccc([C@@H]2[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C2CC2)c1 ZINC000813115295 941336922 /nfs/dbraw/zinc/33/69/22/941336922.db2.gz ONZOYZWCPUORLV-XQAQDONZSA-N 0 3 362.382 1.956 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(F)ccc1[N+](=O)[O-] ZINC000815705672 941945609 /nfs/dbraw/zinc/94/56/09/941945609.db2.gz VJVPFOUMCAEWOO-GWCFXTLKSA-N 0 3 350.350 1.143 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)[C@@H]2C1 ZINC000816950274 942397616 /nfs/dbraw/zinc/39/76/16/942397616.db2.gz PCJUUBMZOJNPFN-CXAGYDPISA-N 0 3 360.414 1.208 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CNCCO2)CC1 ZINC000818008658 943143461 /nfs/dbraw/zinc/14/34/61/943143461.db2.gz WODZGRYHXXGUEK-OAHLLOKOSA-N 0 3 362.430 1.549 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001195488528 970989025 /nfs/dbraw/zinc/98/90/25/970989025.db2.gz SZADFYCRMRZLGZ-BETUJISGSA-N 0 3 357.432 1.230 20 5 FDBDHN Cn1ccnc1CN1CCC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819221157 943492902 /nfs/dbraw/zinc/49/29/02/943492902.db2.gz BRCBFHPACBCNLV-HZPDHXFCSA-N 0 3 373.413 1.143 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000819336249 943531180 /nfs/dbraw/zinc/53/11/80/943531180.db2.gz CWJFALHBCYBGQN-CZUORRHYSA-N 0 3 362.407 1.789 20 5 FDBDHN CS(=O)(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819349699 943537379 /nfs/dbraw/zinc/53/73/79/943537379.db2.gz WHRUFOSKMXMPIR-MRXNPFEDSA-N 0 3 350.396 1.822 20 5 FDBDHN CN1CCN(CC2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000820495395 944071299 /nfs/dbraw/zinc/07/12/99/944071299.db2.gz PYYQWNONUSXSPO-UHFFFAOYSA-N 0 3 364.421 1.372 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CCN1CCCC1 ZINC000823091883 945435064 /nfs/dbraw/zinc/43/50/64/945435064.db2.gz PRKCCEGEAWZDNY-UHFFFAOYSA-N 0 3 352.366 1.860 20 5 FDBDHN C/C(=C\C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844036057 947635949 /nfs/dbraw/zinc/63/59/49/947635949.db2.gz PWKSFTZYNUKLNN-YPDDLIOESA-N 0 3 360.414 1.577 20 5 FDBDHN CN(C)C(=O)CN(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017522 961888040 /nfs/dbraw/zinc/88/80/40/961888040.db2.gz FEDVKKBVUWRNOC-UHFFFAOYSA-N 0 3 356.373 1.862 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCO[C@H](CN(C)C)C2)c1F ZINC001173182784 961955271 /nfs/dbraw/zinc/95/52/71/961955271.db2.gz UGNDORLJRJYLTM-QWHCGFSZSA-N 0 3 355.410 1.936 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CN(c3ncccn3)C2)c1F ZINC001173193023 961960113 /nfs/dbraw/zinc/96/01/13/961960113.db2.gz SJVACNBCONZIOO-NSHDSACASA-N 0 3 361.377 1.942 20 5 FDBDHN CCCCc1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458480 964243971 /nfs/dbraw/zinc/24/39/71/964243971.db2.gz ISGQVCXNVQTZDD-ZIAGYGMSSA-N 0 3 367.450 1.844 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CC3(O)CCCCC3)C2)nc1 ZINC001191763784 968733511 /nfs/dbraw/zinc/73/35/11/968733511.db2.gz LIHQCKGSEQBCOR-GOEBONIOSA-N 0 3 364.446 1.922 20 5 FDBDHN C[NH+](C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001195097755 970685007 /nfs/dbraw/zinc/68/50/07/970685007.db2.gz LLCDBMULGJMGNN-KGLIPLIRSA-N 0 3 357.407 1.885 20 5 FDBDHN CCOc1cc(CN2CCC3(CC2)C[C@H](O)CNC3=O)ccc1[N+](=O)[O-] ZINC001198354853 973051664 /nfs/dbraw/zinc/05/16/64/973051664.db2.gz SGUHDGXTOKNTDH-AWEZNQCLSA-N 0 3 363.414 1.457 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000867428730 975239416 /nfs/dbraw/zinc/23/94/16/975239416.db2.gz NQYHPPDWTXYQSP-OAHLLOKOSA-N 0 3 360.414 1.216 20 5 FDBDHN CCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000867630437 976540448 /nfs/dbraw/zinc/54/04/48/976540448.db2.gz XPALMGXHMYTMIV-OAHLLOKOSA-N 0 3 362.430 1.462 20 5 FDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867815312 976926176 /nfs/dbraw/zinc/92/61/76/976926176.db2.gz ZPIYHDBBANPQNL-JQWIXIFHSA-N 0 3 359.835 1.963 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850371005 978342538 /nfs/dbraw/zinc/34/25/38/978342538.db2.gz WZMXPWOSRDDJOI-ZDUSSCGKSA-N 0 3 350.371 1.948 20 5 FDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)CC1 ZINC000882540821 980710959 /nfs/dbraw/zinc/71/09/59/980710959.db2.gz YWLITALFWSKCLS-UHFFFAOYSA-N 0 3 373.457 1.171 20 5 FDBDHN COC[C@]1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000857768343 981679574 /nfs/dbraw/zinc/67/95/74/981679574.db2.gz OEWWHROTVOEQJZ-CQSZACIVSA-N 0 3 359.329 1.451 20 5 FDBDHN COC[C@@]1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000857768378 981679638 /nfs/dbraw/zinc/67/96/38/981679638.db2.gz PCFPHMRBSFQVTO-AWEZNQCLSA-N 0 3 359.329 1.451 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000859523415 982893206 /nfs/dbraw/zinc/89/32/06/982893206.db2.gz PSCHHVCMPXZAIP-SJORKVTESA-N 0 3 350.415 1.882 20 5 FDBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000860854714 983539363 /nfs/dbraw/zinc/53/93/63/983539363.db2.gz HAPAHLHPEDHHFI-WTDIUWLJSA-N 0 3 355.318 1.796 20 5 FDBDHN COC(=O)c1cnn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000860854489 983539497 /nfs/dbraw/zinc/53/94/97/983539497.db2.gz BEYLJBQIENCYLL-BONVTDFDSA-N 0 3 365.317 1.759 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466791744 984620350 /nfs/dbraw/zinc/62/03/50/984620350.db2.gz RUGCSRLHFHSCDW-KBXCAEBGSA-N 0 3 373.457 1.909 20 5 FDBDHN CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1(C)C ZINC000871153245 986723590 /nfs/dbraw/zinc/72/35/90/986723590.db2.gz CZBGPQPAFIOLGO-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000293941606 988266634 /nfs/dbraw/zinc/26/66/34/988266634.db2.gz CTDXCNRVFMKICG-HNNXBMFYSA-N 0 3 372.385 1.485 20 5 FDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000294669692 988524064 /nfs/dbraw/zinc/52/40/64/988524064.db2.gz VGNUTVZRVSKRNR-QGZVFWFLSA-N 0 3 372.425 1.506 20 5 FDBDHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364142580 989501476 /nfs/dbraw/zinc/50/14/76/989501476.db2.gz FQCYNBXTAQQEOY-JKSUJKDBSA-N 0 3 362.430 1.992 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000874848894 990577624 /nfs/dbraw/zinc/57/76/24/990577624.db2.gz USNWBTWZXRJPRB-KGLIPLIRSA-N 0 3 356.386 1.484 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000875079022 990848883 /nfs/dbraw/zinc/84/88/83/990848883.db2.gz QDAVHAHWMPSIQX-IAGOWNOFSA-N 0 3 369.425 1.953 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000875302770 991284343 /nfs/dbraw/zinc/28/43/43/991284343.db2.gz CMNFHPVMZYYGLJ-UHFFFAOYSA-N 0 3 362.430 1.462 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000372788026 991530513 /nfs/dbraw/zinc/53/05/13/991530513.db2.gz ZHUPDTFNFNPTPS-CQSZACIVSA-N 0 3 373.413 1.846 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000876471987 992634017 /nfs/dbraw/zinc/63/40/17/992634017.db2.gz RGYPSMLALGGBKU-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000876474719 992645908 /nfs/dbraw/zinc/64/59/08/992645908.db2.gz GLOGMJXNTQBPAE-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN COC(=O)[C@H]1CN(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411903836 992690183 /nfs/dbraw/zinc/69/01/83/992690183.db2.gz LBLMNVLAXZZGMA-ZDUSSCGKSA-N 0 3 367.402 1.019 20 5 FDBDHN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])[n-]1 ZINC000468179629 993487037 /nfs/dbraw/zinc/48/70/37/993487037.db2.gz NVAXCCPCJJAZME-HNNXBMFYSA-N 0 3 358.398 1.810 20 5 FDBDHN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])[n-]1 ZINC000468179629 993487044 /nfs/dbraw/zinc/48/70/44/993487044.db2.gz NVAXCCPCJJAZME-HNNXBMFYSA-N 0 3 358.398 1.810 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889752717 998596180 /nfs/dbraw/zinc/59/61/80/998596180.db2.gz YEXUHYDTXAPNKI-SJORKVTESA-N 0 3 361.442 1.930 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889774282 998642354 /nfs/dbraw/zinc/64/23/54/998642354.db2.gz NTXKPQSATGCXGD-GJZGRUSLSA-N 0 3 363.414 1.421 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889778683 998650257 /nfs/dbraw/zinc/65/02/57/998650257.db2.gz BERYBDGSRPYRIC-DLBZAZTESA-N 0 3 374.441 1.840 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C2CCOCC2)CC1 ZINC000288295701 1000005383 /nfs/dbraw/zinc/00/53/83/1000005383.db2.gz HVNMMOJHEWFKRL-UHFFFAOYSA-N 0 3 363.414 1.991 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000288454770 1000018648 /nfs/dbraw/zinc/01/86/48/1000018648.db2.gz JMXHXTJMIKMZCA-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN C[C@H](c1ccccc1)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292263437 1000225031 /nfs/dbraw/zinc/22/50/31/1000225031.db2.gz ROGDGIMDASWNLS-SKDZVZGDSA-N 0 3 373.409 1.582 20 5 FDBDHN Cc1cc(C(=O)N2Cc3ccc(CNC(=O)[C@@H]4CC4[N+](=O)[O-])cc3C2)n[nH]1 ZINC000965869550 1016447782 /nfs/dbraw/zinc/44/77/82/1016447782.db2.gz UXXNOLCBAQSKNG-GDBMZVCRSA-N 0 3 369.381 1.156 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000931186378 1003944608 /nfs/dbraw/zinc/94/46/08/1003944608.db2.gz MQJHWTIWMOIZLJ-CABCVRRESA-N 0 3 351.378 1.646 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260160 1005723922 /nfs/dbraw/zinc/72/39/22/1005723922.db2.gz LCOAQSBPQXLBEV-XYPHTWIQSA-N 0 3 362.430 1.453 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000934784764 1005800942 /nfs/dbraw/zinc/80/09/42/1005800942.db2.gz BQCSASZANYZBJT-MRXNPFEDSA-N 0 3 357.414 1.833 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000936005246 1006228309 /nfs/dbraw/zinc/22/83/09/1006228309.db2.gz JSVRUYWLIFXESO-BBRMVZONSA-N 0 3 357.414 1.879 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000189122451 177910347 /nfs/dbraw/zinc/91/03/47/177910347.db2.gz VLWKJGULZANMBB-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191164380 178043678 /nfs/dbraw/zinc/04/36/78/178043678.db2.gz OSZRCTCZYRBLFP-UHFFFAOYSA-N 0 3 350.419 1.279 20 5 FDBDHN C[C@@H]1CN(CCN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195309531 178254967 /nfs/dbraw/zinc/25/49/67/178254967.db2.gz FCINSIWQLZRCFW-UXLLHSPISA-N 0 3 367.446 1.376 20 5 FDBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCNCC2)ccc1Br ZINC000236623728 178276739 /nfs/dbraw/zinc/27/67/39/178276739.db2.gz DNAABOOLRNNGIE-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000236626795 178277224 /nfs/dbraw/zinc/27/72/24/178277224.db2.gz UQVQBPJJEJESMZ-SECBINFHSA-N 0 3 364.221 1.388 20 5 FDBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236647499 178277855 /nfs/dbraw/zinc/27/78/55/178277855.db2.gz DMRRBAYVXGVELT-UHFFFAOYSA-N 0 3 352.210 1.373 20 5 FDBDHN Cc1ccc(NCCCNC(=O)CNC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000237667147 178325031 /nfs/dbraw/zinc/32/50/31/178325031.db2.gz VDAXMQPDKVOEBB-AWEZNQCLSA-N 0 3 350.419 1.590 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520563 178363668 /nfs/dbraw/zinc/36/36/68/178363668.db2.gz JQISUZIPZWCDDT-RBUKOAKNSA-N 0 3 362.474 1.730 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000247230600 178479617 /nfs/dbraw/zinc/47/96/17/178479617.db2.gz YGCNGWPAJOBKAE-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262738378 178788408 /nfs/dbraw/zinc/78/84/08/178788408.db2.gz HXUWQTHYVRVEOD-SNVBAGLBSA-N 0 3 359.404 1.018 20 5 FDBDHN Nc1c(C(=O)NCC2(N3CCCC3)CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000264351590 179085985 /nfs/dbraw/zinc/08/59/85/179085985.db2.gz ZQYAVFXPECQFCC-UHFFFAOYSA-N 0 3 366.393 1.691 20 5 FDBDHN COc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000265095034 179285179 /nfs/dbraw/zinc/28/51/79/179285179.db2.gz FAAPWVQZBGVPTM-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN O=[N+]([O-])c1c(N2CCN(CC3CCOCC3)CC2)nc2sccn21 ZINC000265464714 179384030 /nfs/dbraw/zinc/38/40/30/179384030.db2.gz BCOBCZHTGCJLHR-UHFFFAOYSA-N 0 3 351.432 1.853 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524715522 539658622 /nfs/dbraw/zinc/65/86/22/539658622.db2.gz CXRDZPZHGAJVDH-GOSISDBHSA-N 0 3 358.398 1.300 20 5 FDBDHN CN(C)C[C@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000268181402 180018165 /nfs/dbraw/zinc/01/81/65/180018165.db2.gz QWSRKOWNMBQUOZ-LLVKDONJSA-N 0 3 368.821 1.531 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268262773 180039384 /nfs/dbraw/zinc/03/93/84/180039384.db2.gz ZRAGIOWZMOMHPQ-SWLSCSKDSA-N 0 3 355.398 1.993 20 5 FDBDHN COC(=O)[C@]1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000268340025 180057486 /nfs/dbraw/zinc/05/74/86/180057486.db2.gz KPEMXQSXSMBYME-QGZVFWFLSA-N 0 3 365.386 1.817 20 5 FDBDHN COc1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)ccc1[N+](=O)[O-] ZINC000269169596 180232519 /nfs/dbraw/zinc/23/25/19/180232519.db2.gz SRMOJAXSIXJLGM-UHFFFAOYSA-N 0 3 357.370 1.660 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269246642 180252715 /nfs/dbraw/zinc/25/27/15/180252715.db2.gz UZSMWYVGKHESBA-TZMCWYRMSA-N 0 3 361.398 1.922 20 5 FDBDHN C[C@@H](Cn1cccn1)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269399165 180293960 /nfs/dbraw/zinc/29/39/60/180293960.db2.gz CEDRTCSFWYYREJ-HNNXBMFYSA-N 0 3 372.429 1.118 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000530806084 540045838 /nfs/dbraw/zinc/04/58/38/540045838.db2.gz GDPGQPOGLQFPNQ-JTQLQIEISA-N 0 3 354.794 1.645 20 5 FDBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275137382 181248135 /nfs/dbraw/zinc/24/81/35/181248135.db2.gz UDUDVXOXTQGZRL-NSHDSACASA-N 0 3 361.320 1.974 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COC[C@@H]3CCCO3)C2)nc1 ZINC000533378362 540239854 /nfs/dbraw/zinc/23/98/54/540239854.db2.gz IBSXNHLAVWBGTR-BMFZPTHFSA-N 0 3 366.418 1.033 20 5 FDBDHN CCO[C@@H]1C[C@](CO)(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000275455869 181322206 /nfs/dbraw/zinc/32/22/06/181322206.db2.gz BGZOWWFMVOJEKG-QGPMSJSTSA-N 0 3 368.430 1.490 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000539480638 540964815 /nfs/dbraw/zinc/96/48/15/540964815.db2.gz NMDUDJGPBRZFCD-GJZGRUSLSA-N 0 3 352.460 1.819 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000544741576 541820641 /nfs/dbraw/zinc/82/06/41/541820641.db2.gz HHHSTMYGIIIRBH-UHFFFAOYSA-N 0 3 351.407 1.191 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282721287 182047363 /nfs/dbraw/zinc/04/73/63/182047363.db2.gz HGRRRZAVZRSLGP-UHFFFAOYSA-N 0 3 370.381 1.065 20 5 FDBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285591858 182850137 /nfs/dbraw/zinc/85/01/37/182850137.db2.gz BNEBKMJRGRWTSO-GHMZBOCLSA-N 0 3 351.359 1.403 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)cc1SC ZINC000546569696 542166369 /nfs/dbraw/zinc/16/63/69/542166369.db2.gz OMZBRZIXKKWSQD-OAHLLOKOSA-N 0 3 355.416 1.122 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000546587859 542173774 /nfs/dbraw/zinc/17/37/74/542173774.db2.gz UQNCKCWEKQBNJU-AWEZNQCLSA-N 0 3 372.219 1.083 20 5 FDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286550598 183094337 /nfs/dbraw/zinc/09/43/37/183094337.db2.gz CQNVHJKNETVNLT-ZFWWWQNUSA-N 0 3 353.444 1.983 20 5 FDBDHN COC(=O)c1cn(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)nn1 ZINC000286606465 183108274 /nfs/dbraw/zinc/10/82/74/183108274.db2.gz XYQHXDOKIFBKBW-UHFFFAOYSA-N 0 3 356.342 1.942 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000296351403 184156748 /nfs/dbraw/zinc/15/67/48/184156748.db2.gz HTLAKUXVXSNXDP-ZIAGYGMSSA-N 0 3 374.445 1.447 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000296725435 184194213 /nfs/dbraw/zinc/19/42/13/184194213.db2.gz CKUIICURNNZOLX-GFCCVEGCSA-N 0 3 366.393 1.781 20 5 FDBDHN C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@H]1C ZINC000296916246 184214178 /nfs/dbraw/zinc/21/41/78/184214178.db2.gz KMYOQWCDVNBZTR-KFWWJZLASA-N 0 3 361.446 1.900 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297344737 184260402 /nfs/dbraw/zinc/26/04/02/184260402.db2.gz BDJDKFJUUUEOMZ-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297229270 184247811 /nfs/dbraw/zinc/24/78/11/184247811.db2.gz COWCAALCWYOZHR-GFCCVEGCSA-N 0 3 366.393 1.924 20 5 FDBDHN CCN(CC)CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000549940974 542973872 /nfs/dbraw/zinc/97/38/72/542973872.db2.gz PRVFALZBKNKOJS-UHFFFAOYSA-N 0 3 362.430 1.544 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CCN(c2ccncc2)CC1 ZINC000090148455 172260992 /nfs/dbraw/zinc/26/09/92/172260992.db2.gz SYDKIKGNTMTCCQ-UHFFFAOYSA-N 0 3 358.402 1.609 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)CN1CCOCC1 ZINC000090588904 172268341 /nfs/dbraw/zinc/26/83/41/172268341.db2.gz QCKIZKJAHHYGJX-UHFFFAOYSA-N 0 3 352.435 1.047 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103449607 172365394 /nfs/dbraw/zinc/36/53/94/172365394.db2.gz TYMFWSKVVWJYIB-UHFFFAOYSA-N 0 3 362.430 1.150 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127551928 173081771 /nfs/dbraw/zinc/08/17/71/173081771.db2.gz APSUBYXHYOLIKC-RYUDHWBXSA-N 0 3 358.398 1.991 20 5 FDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN1CCOCC1 ZINC000150726954 173378703 /nfs/dbraw/zinc/37/87/03/173378703.db2.gz WREMYOVOLVHXCQ-LBPRGKRZSA-N 0 3 355.366 1.197 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000151006559 173387681 /nfs/dbraw/zinc/38/76/81/173387681.db2.gz DQDQCOAGOHYYDW-MRXNPFEDSA-N 0 3 372.429 1.755 20 5 FDBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000180425814 258368712 /nfs/dbraw/zinc/36/87/12/258368712.db2.gz FYYUNXRNHUSFLG-UHFFFAOYSA-N 0 3 372.429 1.951 20 5 FDBDHN COc1ccc(OCCN2CCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000174027510 258317788 /nfs/dbraw/zinc/31/77/88/258317788.db2.gz WJWNXCICDKVPJR-HNNXBMFYSA-N 0 3 365.430 1.779 20 5 FDBDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176986161 258325943 /nfs/dbraw/zinc/32/59/43/258325943.db2.gz FFFJLQDYHMACQX-CZUORRHYSA-N 0 3 362.430 1.656 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192918961 258392606 /nfs/dbraw/zinc/39/26/06/258392606.db2.gz WNJWKBGUMVHUTD-PHIMTYICSA-N 0 3 359.835 1.739 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000193500447 258393684 /nfs/dbraw/zinc/39/36/84/258393684.db2.gz CUQYYVOEURLKKV-BETUJISGSA-N 0 3 351.407 1.590 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000554845689 543880408 /nfs/dbraw/zinc/88/04/08/543880408.db2.gz DVTKQPKWXIAFQM-RVKKMQEKSA-N 0 3 351.447 1.539 20 5 FDBDHN CCCN(CCN1CCCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000557575054 544311760 /nfs/dbraw/zinc/31/17/60/544311760.db2.gz DITJIYPHPMHEET-UHFFFAOYSA-N 0 3 362.430 1.659 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCS1(=O)=O ZINC000558328266 544411058 /nfs/dbraw/zinc/41/10/58/544411058.db2.gz RCJOXXNXIQXFRI-DOMZBBRYSA-N 0 3 369.443 1.869 20 5 FDBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000558019513 544373375 /nfs/dbraw/zinc/37/33/75/544373375.db2.gz OLFOORPXWSZXTE-GJZGRUSLSA-N 0 3 374.441 1.752 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000558033522 544375942 /nfs/dbraw/zinc/37/59/42/544375942.db2.gz QBDXDJNWIAUSSX-CXAGYDPISA-N 0 3 364.450 1.381 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299533444 259004305 /nfs/dbraw/zinc/00/43/05/259004305.db2.gz HGOPVOUVPFPNRU-UHFFFAOYSA-N 0 3 358.402 1.260 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299688783 259016783 /nfs/dbraw/zinc/01/67/83/259016783.db2.gz VFAUZFBPGKRFTA-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301210332 259023056 /nfs/dbraw/zinc/02/30/56/259023056.db2.gz WENQWAOIMWTRDV-LLVKDONJSA-N 0 3 354.432 1.671 20 5 FDBDHN COc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000301624266 259030628 /nfs/dbraw/zinc/03/06/28/259030628.db2.gz PDTPRIQAUSKXEK-ZDUSSCGKSA-N 0 3 352.410 1.959 20 5 FDBDHN CCN1CCN(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301876787 259035384 /nfs/dbraw/zinc/03/53/84/259035384.db2.gz GZMPMQZIWRXPIZ-UHFFFAOYSA-N 0 3 356.448 1.048 20 5 FDBDHN CS(=O)(=O)c1cccc(N2CC[C@@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC000301898425 259035778 /nfs/dbraw/zinc/03/57/78/259035778.db2.gz SBNODGYNFNTYEI-ZDUSSCGKSA-N 0 3 353.444 1.920 20 5 FDBDHN CCN1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)c2)CC1 ZINC000302242670 259040432 /nfs/dbraw/zinc/04/04/32/259040432.db2.gz JEMTWOITPAXOGK-UHFFFAOYSA-N 0 3 370.413 1.974 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000330418361 259143919 /nfs/dbraw/zinc/14/39/19/259143919.db2.gz FJJIVFDWBMOCSN-TXEJJXNPSA-N 0 3 365.434 1.588 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332515053 259272479 /nfs/dbraw/zinc/27/24/79/259272479.db2.gz WMXBOPPBSGTWSQ-GXTWGEPZSA-N 0 3 363.414 1.850 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000332605803 259281805 /nfs/dbraw/zinc/28/18/05/259281805.db2.gz APSVWJIMPPZNHH-WCQYABFASA-N 0 3 358.402 1.696 20 5 FDBDHN Cn1cc(C[C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000368255600 260157151 /nfs/dbraw/zinc/15/71/51/260157151.db2.gz VEWCPLFCMDUOEJ-GOEBONIOSA-N 0 3 360.414 1.633 20 5 FDBDHN CC1(C)NC(=O)N(CCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000368473956 260188325 /nfs/dbraw/zinc/18/83/25/260188325.db2.gz LNOKTPLLPMDJPQ-UHFFFAOYSA-N 0 3 364.406 1.149 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000368971544 260270273 /nfs/dbraw/zinc/27/02/73/260270273.db2.gz CCFPNZYPSDBQIV-GFCCVEGCSA-N 0 3 374.397 1.377 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)C1 ZINC000369356929 260347899 /nfs/dbraw/zinc/34/78/99/260347899.db2.gz ZZYCKLVVBYJWOK-CYBMUJFWSA-N 0 3 365.409 1.168 20 5 FDBDHN CCCN1CCCN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000374411362 261126689 /nfs/dbraw/zinc/12/66/89/261126689.db2.gz YUBFBVWBPFBMBL-UHFFFAOYSA-N 0 3 366.393 1.925 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374546455 261151408 /nfs/dbraw/zinc/15/14/08/261151408.db2.gz VEXNMVBRGBCUQK-LBPRGKRZSA-N 0 3 374.401 1.930 20 5 FDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000375961984 261462972 /nfs/dbraw/zinc/46/29/72/261462972.db2.gz DOWKIYPSTYAMME-OAHLLOKOSA-N 0 3 369.377 1.983 20 5 FDBDHN CN1CC[C@H]2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408145155 262087976 /nfs/dbraw/zinc/08/79/76/262087976.db2.gz FZDNYYIUDIQYRO-KSSFIOAISA-N 0 3 374.441 1.598 20 5 FDBDHN COc1cc(C(=O)N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC000024085785 518976726 /nfs/dbraw/zinc/97/67/26/518976726.db2.gz MMBCIUHWENQOGP-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000032733333 519531512 /nfs/dbraw/zinc/53/15/12/519531512.db2.gz BRDYOORHGGPTHS-KGLIPLIRSA-N 0 3 362.430 1.704 20 5 FDBDHN CCN1CCN(CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000041442359 519656275 /nfs/dbraw/zinc/65/62/75/519656275.db2.gz HDKZNKAXXLZTTJ-UHFFFAOYSA-N 0 3 363.462 1.541 20 5 FDBDHN COCCN(C)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000041966865 519674597 /nfs/dbraw/zinc/67/45/97/519674597.db2.gz RSDALDNJCYOCQY-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000042073277 519681030 /nfs/dbraw/zinc/68/10/30/519681030.db2.gz JVROBMHDHHQYMK-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCN2CCOC)c([N+](=O)[O-])c1 ZINC000068911217 521757673 /nfs/dbraw/zinc/75/76/73/521757673.db2.gz BMGQCJBQQOKIFT-GFCCVEGCSA-N 0 3 372.447 1.026 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Br)cs2)c1 ZINC000071308993 522111879 /nfs/dbraw/zinc/11/18/79/522111879.db2.gz GDSBPFMRZDOHBW-SNVBAGLBSA-N 0 3 361.221 1.766 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073016065 522449940 /nfs/dbraw/zinc/44/99/40/522449940.db2.gz DLARKXWRWACZQE-ZDUSSCGKSA-N 0 3 363.414 1.899 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073018569 522450198 /nfs/dbraw/zinc/45/01/98/522450198.db2.gz CLYJLLLMKYXAML-CYBMUJFWSA-N 0 3 363.414 1.757 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073018571 522450362 /nfs/dbraw/zinc/45/03/62/522450362.db2.gz CLYJLLLMKYXAML-ZDUSSCGKSA-N 0 3 363.414 1.757 20 5 FDBDHN CC(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000063760303 522645284 /nfs/dbraw/zinc/64/52/84/522645284.db2.gz UJHIXTVGRHDSLC-INIZCTEOSA-N 0 3 372.429 1.385 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000064333888 522702655 /nfs/dbraw/zinc/70/26/55/522702655.db2.gz XZQKICHBMMBTQV-IRXDYDNUSA-N 0 3 371.397 1.374 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000076295639 523071777 /nfs/dbraw/zinc/07/17/77/523071777.db2.gz FTHVFYVFHWTCCZ-CQSZACIVSA-N 0 3 364.446 1.749 20 5 FDBDHN CCCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000052703784 523251715 /nfs/dbraw/zinc/25/17/15/523251715.db2.gz OYFRBJJMSWQZMW-UHFFFAOYSA-N 0 3 352.391 1.519 20 5 FDBDHN CC1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067137288 523331577 /nfs/dbraw/zinc/33/15/77/523331577.db2.gz NSCREMYJFZDJDT-UHFFFAOYSA-N 0 3 358.402 1.637 20 5 FDBDHN CN1CCC[C@@H](N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000083174419 524241943 /nfs/dbraw/zinc/24/19/43/524241943.db2.gz KXBKRGUYLWYFGU-OAHLLOKOSA-N 0 3 359.430 1.948 20 5 FDBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157665928 524316938 /nfs/dbraw/zinc/31/69/38/524316938.db2.gz OQGPAHJAPHOMBN-FZMZJTMJSA-N 0 3 350.423 1.763 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CCN(CCO)CC1 ZINC000111837611 524353125 /nfs/dbraw/zinc/35/31/25/524353125.db2.gz HYGKSJLJYVBBMA-UHFFFAOYSA-N 0 3 350.419 1.141 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000085403712 524353857 /nfs/dbraw/zinc/35/38/57/524353857.db2.gz QEWREGFAHVMUHE-CJNGLKHVSA-N 0 3 350.419 1.955 20 5 FDBDHN CC(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000087329751 524423406 /nfs/dbraw/zinc/42/34/06/524423406.db2.gz ROTPROGEFCOACU-GOSISDBHSA-N 0 3 362.474 1.916 20 5 FDBDHN COC(=O)[C@@H](C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090559322 524603293 /nfs/dbraw/zinc/60/32/93/524603293.db2.gz RNTMSHMCBSLKHS-SUMWQHHRSA-N 0 3 359.382 1.897 20 5 FDBDHN CCOC(=O)CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090588793 524606844 /nfs/dbraw/zinc/60/68/44/524606844.db2.gz CBYUOHGWZJUZAF-CQSZACIVSA-N 0 3 351.403 1.812 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000151605446 524626246 /nfs/dbraw/zinc/62/62/46/524626246.db2.gz BDAWADOGUIIBLY-OAHLLOKOSA-N 0 3 352.822 1.991 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCN1CCN(C)CC1 ZINC000174715522 524704328 /nfs/dbraw/zinc/70/43/28/524704328.db2.gz BXEBMHAQTHQMTO-OAHLLOKOSA-N 0 3 363.462 1.491 20 5 FDBDHN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CN1CCN(C)CC1 ZINC000114379177 524778108 /nfs/dbraw/zinc/77/81/08/524778108.db2.gz RCZPEPKYSDSPMR-ZDUSSCGKSA-N 0 3 359.430 1.689 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(C3CCCCC3)CC2)c1 ZINC000152439729 524886846 /nfs/dbraw/zinc/88/68/46/524886846.db2.gz KMZQMOGXHARNJR-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000124341330 524960386 /nfs/dbraw/zinc/96/03/86/524960386.db2.gz LAYPOVFFDIGVLP-UHFFFAOYSA-N 0 3 350.400 1.922 20 5 FDBDHN CN(C)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000176377979 525112789 /nfs/dbraw/zinc/11/27/89/525112789.db2.gz HQGFCFVAPSTMKI-NSHDSACASA-N 0 3 354.432 1.281 20 5 FDBDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161465871 525114476 /nfs/dbraw/zinc/11/44/76/525114476.db2.gz OLTQGCNZVJLPED-CYBMUJFWSA-N 0 3 371.459 1.308 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000161652576 525144453 /nfs/dbraw/zinc/14/44/53/525144453.db2.gz OGFONVOFSRQLIO-CQSZACIVSA-N 0 3 371.459 1.274 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000116448128 525155048 /nfs/dbraw/zinc/15/50/48/525155048.db2.gz QXDUJPREAIJYRH-CYBMUJFWSA-N 0 3 361.402 1.294 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117252567 525292903 /nfs/dbraw/zinc/29/29/03/525292903.db2.gz YUFYLRDTSVEKGP-ZDUSSCGKSA-N 0 3 358.398 1.993 20 5 FDBDHN C[C@@H](C[S@@](C)=O)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126529900 525323361 /nfs/dbraw/zinc/32/33/61/525323361.db2.gz JYUAPGXKONJYFJ-BUBHHJDNSA-N 0 3 355.416 1.592 20 5 FDBDHN COc1cc(OCC(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000104413419 525411086 /nfs/dbraw/zinc/41/10/86/525411086.db2.gz PEJXZBPFNSNHSO-CYBMUJFWSA-N 0 3 351.403 1.925 20 5 FDBDHN CC(C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000127993225 525489688 /nfs/dbraw/zinc/48/96/88/525489688.db2.gz KEHSMKWGUNGQTK-INIZCTEOSA-N 0 3 364.446 1.346 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154698689 525614547 /nfs/dbraw/zinc/61/45/47/525614547.db2.gz NDEMSACBUFOKJM-UHFFFAOYSA-N 0 3 357.414 1.510 20 5 FDBDHN Cc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000129251094 525634924 /nfs/dbraw/zinc/63/49/24/525634924.db2.gz OHYAOQNNFWBVNB-OAHLLOKOSA-N 0 3 358.402 1.448 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119734926 525842501 /nfs/dbraw/zinc/84/25/01/525842501.db2.gz OLAQWXINAMUEHK-INIZCTEOSA-N 0 3 350.419 1.547 20 5 FDBDHN CC(C)N1C[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155468336 525874186 /nfs/dbraw/zinc/87/41/86/525874186.db2.gz LOSLJKCPKOAJSE-ZENOOKHLSA-N 0 3 362.430 1.558 20 5 FDBDHN Cc1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000131808887 525905341 /nfs/dbraw/zinc/90/53/41/525905341.db2.gz RKKXAQTWPRQJDS-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN Cc1cc(C(=O)NCc2ccnc(OCCN(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000155630841 525927086 /nfs/dbraw/zinc/92/70/86/525927086.db2.gz QDCBAGOOHXQVCK-UHFFFAOYSA-N 0 3 373.413 1.751 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000120079547 525956347 /nfs/dbraw/zinc/95/63/47/525956347.db2.gz LDSDPEWNBPFXGE-UHFFFAOYSA-N 0 3 351.407 1.093 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108447172 525970448 /nfs/dbraw/zinc/97/04/48/525970448.db2.gz GZNVBZJHYUXETF-LLVKDONJSA-N 0 3 368.821 1.579 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000183636643 536019278 /nfs/dbraw/zinc/01/92/78/536019278.db2.gz UVLPEOIJQRWXSS-INIZCTEOSA-N 0 3 353.444 1.637 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000183983590 536076617 /nfs/dbraw/zinc/07/66/17/536076617.db2.gz ORIOXPOCADKQDB-UHFFFAOYSA-N 0 3 364.446 1.629 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000183987075 536076832 /nfs/dbraw/zinc/07/68/32/536076832.db2.gz RDXVVPHFXHTVEU-UHFFFAOYSA-N 0 3 350.419 1.239 20 5 FDBDHN CSc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000185278865 536204271 /nfs/dbraw/zinc/20/42/71/536204271.db2.gz IQAKIRWGVZUXLH-UHFFFAOYSA-N 0 3 352.460 1.636 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)c1 ZINC000185830336 536218640 /nfs/dbraw/zinc/21/86/40/536218640.db2.gz TYFBZPWZSJQYHT-CQSZACIVSA-N 0 3 357.432 1.110 20 5 FDBDHN Cn1c2ccccc2nc1C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186577272 536237639 /nfs/dbraw/zinc/23/76/39/536237639.db2.gz SDQDDZMICNXOEY-ZDUSSCGKSA-N 0 3 358.402 1.564 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246663114 536999714 /nfs/dbraw/zinc/99/97/14/536999714.db2.gz LRXWNTNSYUHDPD-JLJPHGGASA-N 0 3 374.441 1.656 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000246827120 537034794 /nfs/dbraw/zinc/03/47/94/537034794.db2.gz BKYLGNKRFKAMIW-WCQYABFASA-N 0 3 357.407 1.839 20 5 FDBDHN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000247016985 537069759 /nfs/dbraw/zinc/06/97/59/537069759.db2.gz HHSQULLUDGOKRQ-DAXOMENPSA-N 0 3 362.386 1.292 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000263894594 537128953 /nfs/dbraw/zinc/12/89/53/537128953.db2.gz YGIZZQWKPNYYTR-UHFFFAOYSA-N 0 3 359.386 1.144 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000190148197 537146570 /nfs/dbraw/zinc/14/65/70/537146570.db2.gz IALFLZBMFYEOED-UHFFFAOYSA-N 0 3 351.403 1.752 20 5 FDBDHN NC(=O)CC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459572 537184718 /nfs/dbraw/zinc/18/47/18/537184718.db2.gz NSQZKOAWDRYGHN-UONOGXRCSA-N 0 3 351.403 1.312 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000191888352 537214178 /nfs/dbraw/zinc/21/41/78/537214178.db2.gz OPZCRVNFMWJKIM-HNNXBMFYSA-N 0 3 373.413 1.308 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249513072 537236902 /nfs/dbraw/zinc/23/69/02/537236902.db2.gz OXIKVGIWOSTTJZ-GJZGRUSLSA-N 0 3 364.446 1.619 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272334451 537266718 /nfs/dbraw/zinc/26/67/18/537266718.db2.gz AQICPSJWXCGKKB-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363695723 537282689 /nfs/dbraw/zinc/28/26/89/537282689.db2.gz VFCKQOSOGBJNCB-IRXDYDNUSA-N 0 3 362.430 1.766 20 5 FDBDHN CN(C)[C@]1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCSC1 ZINC000272406622 537283270 /nfs/dbraw/zinc/28/32/70/537283270.db2.gz ZPRBBKGHHJQEFL-HNNXBMFYSA-N 0 3 353.400 1.491 20 5 FDBDHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000293207772 537392879 /nfs/dbraw/zinc/39/28/79/537392879.db2.gz JBDOASWQZOIWCV-DLBZAZTESA-N 0 3 363.414 1.756 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000273181396 537408119 /nfs/dbraw/zinc/40/81/19/537408119.db2.gz JNFAAQGWMRSCRK-UHFFFAOYSA-N 0 3 363.370 1.758 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000299188051 537466474 /nfs/dbraw/zinc/46/64/74/537466474.db2.gz CNWJZIZXHDFUBM-KGLIPLIRSA-N 0 3 360.414 1.845 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292061983 537704468 /nfs/dbraw/zinc/70/44/68/537704468.db2.gz OVIWYZGQVXMVID-MRXNPFEDSA-N 0 3 353.444 1.495 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000285761376 537756554 /nfs/dbraw/zinc/75/65/54/537756554.db2.gz XEQVSBHQAVZICQ-FUNVUKJBSA-N 0 3 369.443 1.849 20 5 FDBDHN COC(=O)C[C@]1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000411538413 537762526 /nfs/dbraw/zinc/76/25/26/537762526.db2.gz DWTHIEXPZUECLZ-MRXNPFEDSA-N 0 3 351.359 1.235 20 5 FDBDHN C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000418790744 537766144 /nfs/dbraw/zinc/76/61/44/537766144.db2.gz YAQAZLNOQJWDNO-WBMJQRKESA-N 0 3 362.430 1.796 20 5 FDBDHN COCCNC(=O)C1(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414199858 537770530 /nfs/dbraw/zinc/77/05/30/537770530.db2.gz CWBMTCRQSZQADG-LBPRGKRZSA-N 0 3 364.402 1.197 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000366601061 537794438 /nfs/dbraw/zinc/79/44/38/537794438.db2.gz QIKQSIGVQBKEHO-CYBMUJFWSA-N 0 3 354.432 1.044 20 5 FDBDHN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412087839 537951346 /nfs/dbraw/zinc/95/13/46/537951346.db2.gz RXCDANSIWOXBFZ-KBPBESRZSA-N 0 3 351.403 1.324 20 5 FDBDHN CC(C)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412087845 537952124 /nfs/dbraw/zinc/95/21/24/537952124.db2.gz RXCDANSIWOXBFZ-ZIAGYGMSSA-N 0 3 351.403 1.324 20 5 FDBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000412775083 538018334 /nfs/dbraw/zinc/01/83/34/538018334.db2.gz QOZURWWTSXEXPK-UHFFFAOYSA-N 0 3 359.386 1.075 20 5 FDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419347083 538048030 /nfs/dbraw/zinc/04/80/30/538048030.db2.gz WCPJEARQEPEFDR-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@H]21 ZINC000372978411 538073666 /nfs/dbraw/zinc/07/36/66/538073666.db2.gz LOEJGWCVZOQSOC-RHSMWYFYSA-N 0 3 374.441 1.598 20 5 FDBDHN CN(C)CCOc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000438910388 538144388 /nfs/dbraw/zinc/14/43/88/538144388.db2.gz AZQCLXGFJCORHE-UHFFFAOYSA-N 0 3 360.370 1.336 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2C2CCN(CC)CC2)n1 ZINC000427455882 538210599 /nfs/dbraw/zinc/21/05/99/538210599.db2.gz FJKRHQRQCZLNEJ-UHFFFAOYSA-N 0 3 361.406 1.917 20 5 FDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000420352750 538274432 /nfs/dbraw/zinc/27/44/32/538274432.db2.gz MOXNHADFOSMWLP-UHFFFAOYSA-N 0 3 372.429 1.548 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433915515 538288333 /nfs/dbraw/zinc/28/83/33/538288333.db2.gz QLNYCRYNJJGPDQ-GFCCVEGCSA-N 0 3 353.423 1.264 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424412873 538292254 /nfs/dbraw/zinc/29/22/54/538292254.db2.gz BWIQMSGCAKVDHS-UONOGXRCSA-N 0 3 358.402 1.904 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424419912 538294719 /nfs/dbraw/zinc/29/47/19/538294719.db2.gz TUAYLVWYKGJONC-UONOGXRCSA-N 0 3 358.402 1.904 20 5 FDBDHN C[C@@H]1C[C@@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420973094 538368285 /nfs/dbraw/zinc/36/82/85/538368285.db2.gz LWKYHIAOFMEZNX-KGLIPLIRSA-N 0 3 371.459 1.620 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000481787015 538563856 /nfs/dbraw/zinc/56/38/56/538563856.db2.gz VNGLJPVEISNSDA-CYBMUJFWSA-N 0 3 351.407 1.045 20 5 FDBDHN CN(CCN(C)C1CC1)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000472672828 538685577 /nfs/dbraw/zinc/68/55/77/538685577.db2.gz LZOCSEVJIGYBLL-UHFFFAOYSA-N 0 3 362.430 1.598 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000478440162 538742646 /nfs/dbraw/zinc/74/26/46/538742646.db2.gz VJNIWASNULATHG-UHFFFAOYSA-N 0 3 374.401 1.807 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473280269 538766401 /nfs/dbraw/zinc/76/64/01/538766401.db2.gz HWOBAUCVABRDJM-QGZVFWFLSA-N 0 3 362.386 1.281 20 5 FDBDHN COc1ccc(CNCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000479600804 538818141 /nfs/dbraw/zinc/81/81/41/538818141.db2.gz FTMXVRGMTDLUDT-UHFFFAOYSA-N 0 3 362.386 1.558 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000498487963 538835802 /nfs/dbraw/zinc/83/58/02/538835802.db2.gz GXFLPEJEJKCOSO-UHTWSYAYSA-N 0 3 364.402 1.435 20 5 FDBDHN Cc1ccc(C[C@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563137594 546419794 /nfs/dbraw/zinc/41/97/94/546419794.db2.gz HRCFNRTZOMYESP-AEFFLSMTSA-N 0 3 360.410 1.836 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)Cc1cccc(F)c1 ZINC000563137618 546419814 /nfs/dbraw/zinc/41/98/14/546419814.db2.gz IDAJEXKESQYXAI-CVEARBPZSA-N 0 3 364.373 1.667 20 5 FDBDHN Cc1cc(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000565829101 547498701 /nfs/dbraw/zinc/49/87/01/547498701.db2.gz VJOBGJNZKBKRPN-LLVKDONJSA-N 0 3 352.416 1.621 20 5 FDBDHN Cc1cc(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000565829101 547498706 /nfs/dbraw/zinc/49/87/06/547498706.db2.gz VJOBGJNZKBKRPN-LLVKDONJSA-N 0 3 352.416 1.621 20 5 FDBDHN CC(C)C(=O)Nc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566108564 547606307 /nfs/dbraw/zinc/60/63/07/547606307.db2.gz GSYLJFSNAMREJQ-INIZCTEOSA-N 0 3 361.402 1.537 20 5 FDBDHN CCCN(CCN1CCCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000566906013 547926243 /nfs/dbraw/zinc/92/62/43/547926243.db2.gz IDCVHXLWCXVCPX-UHFFFAOYSA-N 0 3 370.475 1.945 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)Cc2ccco2)cc1 ZINC000567734381 548236011 /nfs/dbraw/zinc/23/60/11/548236011.db2.gz FXOVQUVBONSAIM-ZDUSSCGKSA-N 0 3 368.411 1.402 20 5 FDBDHN Cc1cccc(C[C@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569693539 549014135 /nfs/dbraw/zinc/01/41/35/549014135.db2.gz QQGZVVHDORIPNG-AEFFLSMTSA-N 0 3 360.410 1.836 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000570777650 549405456 /nfs/dbraw/zinc/40/54/56/549405456.db2.gz IRIFBXYMDCWSLT-OAHLLOKOSA-N 0 3 366.418 1.120 20 5 FDBDHN CNc1nccc(C(=O)Nc2cc(CN(C)C)ccc2OC)c1[N+](=O)[O-] ZINC000570982891 549483497 /nfs/dbraw/zinc/48/34/97/549483497.db2.gz GJRTYJXHIAFHTG-UHFFFAOYSA-N 0 3 359.386 2.354 20 5 FDBDHN Cn1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571276331 549588599 /nfs/dbraw/zinc/58/85/99/549588599.db2.gz DLYQNTPYUINEDJ-CJNGLKHVSA-N 0 3 355.398 1.771 20 5 FDBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1OC(F)F ZINC000574271630 550286334 /nfs/dbraw/zinc/28/63/34/550286334.db2.gz WBKFJKDRRUDLBI-LBPRGKRZSA-N 0 3 372.328 1.552 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1=CC[NH2+]CC1 ZINC000574452847 550315988 /nfs/dbraw/zinc/31/59/88/550315988.db2.gz KZMDDAHTXKHYDH-UHFFFAOYSA-N 0 3 365.333 1.812 20 5 FDBDHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000574745435 550363611 /nfs/dbraw/zinc/36/36/11/550363611.db2.gz FBJFMUZFEXFHCG-OAHLLOKOSA-N 0 3 356.448 1.345 20 5 FDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581185730 551061220 /nfs/dbraw/zinc/06/12/20/551061220.db2.gz KYBQZDGXYLSZRT-AWEZNQCLSA-N 0 3 355.350 1.940 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000581499719 551096428 /nfs/dbraw/zinc/09/64/28/551096428.db2.gz PYKQVAUQXMAXEQ-ONGXEEELSA-N 0 3 369.219 1.414 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000582537124 551238080 /nfs/dbraw/zinc/23/80/80/551238080.db2.gz OZYHJRKUAHLNPS-QWHCGFSZSA-N 0 3 366.374 1.244 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)c2cccnc2)cc1 ZINC000582964399 551286102 /nfs/dbraw/zinc/28/61/02/551286102.db2.gz BMNQBHLSVARPRB-CQSZACIVSA-N 0 3 365.411 1.129 20 5 FDBDHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@H]1N1CCN(C)CC1 ZINC000588008985 551640268 /nfs/dbraw/zinc/64/02/68/551640268.db2.gz WWPVSVLCCQLNAQ-CXAGYDPISA-N 0 3 363.462 1.132 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000589513662 551734258 /nfs/dbraw/zinc/73/42/58/551734258.db2.gz NUFODNOPMFBBQU-CYBMUJFWSA-N 0 3 365.430 1.658 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)[C@@H]2C1 ZINC000590445813 551785146 /nfs/dbraw/zinc/78/51/46/551785146.db2.gz SUBOATBXHWTXQL-XJKSGUPXSA-N 0 3 360.414 1.208 20 5 FDBDHN COc1ccc(CSCC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590447055 551785793 /nfs/dbraw/zinc/78/57/93/551785793.db2.gz XZXLZBONISSGSZ-UKRRQHHQSA-N 0 3 365.455 1.999 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000591012799 551835053 /nfs/dbraw/zinc/83/50/53/551835053.db2.gz CFQPTBHZOFIIIM-AWEZNQCLSA-N 0 3 360.414 1.751 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(N3CCCCCC3)nc2)c1 ZINC000591726669 551904038 /nfs/dbraw/zinc/90/40/38/551904038.db2.gz YAFHYEWMZMTZMC-QGZVFWFLSA-N 0 3 374.445 1.717 20 5 FDBDHN Cn1cc(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000591735908 551904773 /nfs/dbraw/zinc/90/47/73/551904773.db2.gz XOEYULFOWWTDOM-UHFFFAOYSA-N 0 3 352.416 1.324 20 5 FDBDHN Cc1nccn1CCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591742316 551905372 /nfs/dbraw/zinc/90/53/72/551905372.db2.gz MCJZRDRRNSLBOL-UHFFFAOYSA-N 0 3 366.443 1.943 20 5 FDBDHN O=C(NCc1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592154653 551951077 /nfs/dbraw/zinc/95/10/77/551951077.db2.gz HYDPQHMOVUKJLE-INIZCTEOSA-N 0 3 370.409 1.395 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592870812 552037058 /nfs/dbraw/zinc/03/70/58/552037058.db2.gz FZEDZFRYPSVWEU-LBPRGKRZSA-N 0 3 371.397 1.335 20 5 FDBDHN CCOc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592880947 552038465 /nfs/dbraw/zinc/03/84/65/552038465.db2.gz QDIKMBLPEVWTJO-LBPRGKRZSA-N 0 3 364.402 1.186 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594419762 552307215 /nfs/dbraw/zinc/30/72/15/552307215.db2.gz RDYPNJPYMDRTQZ-WBVHZDCISA-N 0 3 374.441 1.766 20 5 FDBDHN C[C@@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000594500375 552326454 /nfs/dbraw/zinc/32/64/54/552326454.db2.gz RUSCTKBCIPDPGV-VXGBXAGGSA-N 0 3 359.473 1.747 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000594821813 552398858 /nfs/dbraw/zinc/39/88/58/552398858.db2.gz OGKCSEINUKSFJQ-UHFFFAOYSA-N 0 3 372.491 1.373 20 5 FDBDHN Cc1nn(C)c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595224893 552497258 /nfs/dbraw/zinc/49/72/58/552497258.db2.gz JOCKTPLFFWZJCF-ZIAGYGMSSA-N 0 3 361.377 1.733 20 5 FDBDHN COC(=O)c1cc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)c([N+](=O)[O-])c1 ZINC000595232375 552499959 /nfs/dbraw/zinc/49/99/59/552499959.db2.gz ZFZAACRBDFRBHV-GHMZBOCLSA-N 0 3 354.338 1.593 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1 ZINC000595409220 552552716 /nfs/dbraw/zinc/55/27/16/552552716.db2.gz BTHAJPACIVWWHV-AWEZNQCLSA-N 0 3 353.444 1.995 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595631755 552595324 /nfs/dbraw/zinc/59/53/24/552595324.db2.gz KXFWUJGPXKJNKI-RBSFLKMASA-N 0 3 365.430 1.997 20 5 FDBDHN O=C(c1cccc2c1CNC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925032 552634091 /nfs/dbraw/zinc/63/40/91/552634091.db2.gz QUIGSXPKFKHLAH-ZDUSSCGKSA-N 0 3 353.382 1.920 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000596068984 552652084 /nfs/dbraw/zinc/65/20/84/552652084.db2.gz CNAZXIMOQPOKOT-HZPDHXFCSA-N 0 3 361.402 1.041 20 5 FDBDHN CN1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000596270909 552669894 /nfs/dbraw/zinc/66/98/94/552669894.db2.gz USLBDJAMSHEIRI-UHFFFAOYSA-N 0 3 369.853 1.274 20 5 FDBDHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000596817643 552714025 /nfs/dbraw/zinc/71/40/25/552714025.db2.gz PBFAODUIQWOUEK-HNNXBMFYSA-N 0 3 371.397 1.300 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597573622 552806652 /nfs/dbraw/zinc/80/66/52/552806652.db2.gz GQYCDORJIIARAD-KRWDZBQOSA-N 0 3 351.403 1.279 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597574578 552806810 /nfs/dbraw/zinc/80/68/10/552806810.db2.gz QNERPNYSPWMPEE-INIZCTEOSA-N 0 3 357.357 1.331 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000597692530 552822571 /nfs/dbraw/zinc/82/25/71/552822571.db2.gz PIXJOCOOKPQKGP-DOMZBBRYSA-N 0 3 365.434 1.230 20 5 FDBDHN C[C@H]1CCCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598591122 552912670 /nfs/dbraw/zinc/91/26/70/552912670.db2.gz TUJKBQUAPVXIBI-ZDUSSCGKSA-N 0 3 350.423 1.508 20 5 FDBDHN CN1CCCC(C)(C)[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598620462 552916750 /nfs/dbraw/zinc/91/67/50/552916750.db2.gz ARAILQKMPBFHQP-CYBMUJFWSA-N 0 3 364.450 1.754 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897529 552940935 /nfs/dbraw/zinc/94/09/35/552940935.db2.gz GKUDXNZAZWSPPK-HNNXBMFYSA-N 0 3 363.418 1.707 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905040 552942843 /nfs/dbraw/zinc/94/28/43/552942843.db2.gz HJUDAOHGOZAJLH-CQSZACIVSA-N 0 3 363.418 1.659 20 5 FDBDHN CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986741 553194109 /nfs/dbraw/zinc/19/41/09/553194109.db2.gz YSZKLWXDOOFMLZ-CYBMUJFWSA-N 0 3 362.430 1.656 20 5 FDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600006676 553198152 /nfs/dbraw/zinc/19/81/52/553198152.db2.gz BPNQBJKDQBKXPH-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007747 553198664 /nfs/dbraw/zinc/19/86/64/553198664.db2.gz ZTGCSGNHSGIMFX-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600063462 553211083 /nfs/dbraw/zinc/21/10/83/553211083.db2.gz NAXNNTNTDUCMIC-AWEZNQCLSA-N 0 3 360.414 1.975 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000600470689 553273504 /nfs/dbraw/zinc/27/35/04/553273504.db2.gz HPIJQIGRKYXPLP-KRWDZBQOSA-N 0 3 374.441 1.848 20 5 FDBDHN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCN(CC3CC3)C2)C1=O ZINC000600693162 553302180 /nfs/dbraw/zinc/30/21/80/553302180.db2.gz FEMBXYUHNNKLPO-QAPCUYQASA-N 0 3 358.398 1.846 20 5 FDBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755426 553311509 /nfs/dbraw/zinc/31/15/09/553311509.db2.gz KCTSBOHHPWABSX-KDOFPFPSSA-N 0 3 371.393 1.751 20 5 FDBDHN COc1cc(CNC[C@@H]2COCCN2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600773338 553313608 /nfs/dbraw/zinc/31/36/08/553313608.db2.gz GYQLWJNZYQWKNJ-LLVKDONJSA-N 0 3 361.345 1.325 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC000601101098 553347434 /nfs/dbraw/zinc/34/74/34/553347434.db2.gz MINOZZZUVRDFOP-UHFFFAOYSA-N 0 3 350.345 1.397 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000602770234 553634745 /nfs/dbraw/zinc/63/47/45/553634745.db2.gz WYZJVUHYQINQMC-OFQRWUPVSA-N 0 3 351.451 1.673 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000602783301 553637653 /nfs/dbraw/zinc/63/76/53/553637653.db2.gz KQWABUSKOUFKAR-INIZCTEOSA-N 0 3 350.467 1.200 20 5 FDBDHN CC(C)(C(=O)N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603053887 553702385 /nfs/dbraw/zinc/70/23/85/553702385.db2.gz UGNSUNWLDRQORU-LBPRGKRZSA-N 0 3 353.394 1.584 20 5 FDBDHN CN1CCCN(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000603403969 553780817 /nfs/dbraw/zinc/78/08/17/553780817.db2.gz QWNMBCNSMFIAJI-UHFFFAOYSA-N 0 3 370.475 1.042 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000609268850 554353888 /nfs/dbraw/zinc/35/38/88/554353888.db2.gz GJQRQLDWDFZECL-AWEZNQCLSA-N 0 3 353.423 1.025 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384503 554373387 /nfs/dbraw/zinc/37/33/87/554373387.db2.gz ZMAUPNUYIOCFLL-LBPRGKRZSA-N 0 3 354.432 1.399 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610401369 554499991 /nfs/dbraw/zinc/49/99/91/554499991.db2.gz KUYDMYOOGHTGBU-INIZCTEOSA-N 0 3 350.419 1.847 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610654090 554545006 /nfs/dbraw/zinc/54/50/06/554545006.db2.gz UIUINWPIUJYKGR-YPMHNXCESA-N 0 3 361.398 1.650 20 5 FDBDHN Cc1nn(CCC(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000610767837 554559783 /nfs/dbraw/zinc/55/97/83/554559783.db2.gz OOVUZOUFGPWOES-HNNXBMFYSA-N 0 3 365.434 1.168 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611091968 554604283 /nfs/dbraw/zinc/60/42/83/554604283.db2.gz FAGQGRMPQRYOLO-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000611345866 554627008 /nfs/dbraw/zinc/62/70/08/554627008.db2.gz DYWUHBSARNQUJN-DYVFJYSZSA-N 0 3 359.430 1.804 20 5 FDBDHN CC(C)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000611395927 554630766 /nfs/dbraw/zinc/63/07/66/554630766.db2.gz ZFUCZYRIHBKGCB-WBVHZDCISA-N 0 3 365.430 1.571 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000618924252 555696657 /nfs/dbraw/zinc/69/66/57/555696657.db2.gz SFBCYLMITXQXSU-SUMWQHHRSA-N 0 3 367.471 1.991 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000273141067 674510477 /nfs/dbraw/zinc/51/04/77/674510477.db2.gz KDASORDXMKTEOV-CABCVRRESA-N 0 3 350.346 1.797 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596243 606041128 /nfs/dbraw/zinc/04/11/28/606041128.db2.gz FATHZTNGAATDRB-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596243 606041135 /nfs/dbraw/zinc/04/11/35/606041135.db2.gz FATHZTNGAATDRB-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596243 606041141 /nfs/dbraw/zinc/04/11/41/606041141.db2.gz FATHZTNGAATDRB-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596243 606041144 /nfs/dbraw/zinc/04/11/44/606041144.db2.gz FATHZTNGAATDRB-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823635340 606857984 /nfs/dbraw/zinc/85/79/84/606857984.db2.gz WBOBXUSUUNGPGO-MRXNPFEDSA-N 0 3 354.370 1.641 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635340 606857985 /nfs/dbraw/zinc/85/79/85/606857985.db2.gz WBOBXUSUUNGPGO-MRXNPFEDSA-N 0 3 354.370 1.641 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652320 607037846 /nfs/dbraw/zinc/03/78/46/607037846.db2.gz ZUNQSLRTXDRNSO-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823652320 607037848 /nfs/dbraw/zinc/03/78/48/607037848.db2.gz ZUNQSLRTXDRNSO-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN C[NH+]1CCC([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)CC1 ZINC000826021687 607903942 /nfs/dbraw/zinc/90/39/42/607903942.db2.gz CWMHYMFBBNXQBE-CQSZACIVSA-N 0 3 357.418 1.943 20 5 FDBDHN NS(=O)(=O)c1cc(NC[C@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1 ZINC000277452072 674945924 /nfs/dbraw/zinc/94/59/24/674945924.db2.gz OEMXIBNOXDGMPQ-CYBMUJFWSA-N 0 3 354.432 1.671 20 5 FDBDHN COCCN1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279087095 675241064 /nfs/dbraw/zinc/24/10/64/675241064.db2.gz FSRAPUSMSOHLMX-NSHDSACASA-N 0 3 359.785 1.767 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279087092 675241123 /nfs/dbraw/zinc/24/11/23/675241123.db2.gz FSRAPUSMSOHLMX-LLVKDONJSA-N 0 3 359.785 1.767 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000281602253 675535356 /nfs/dbraw/zinc/53/53/56/675535356.db2.gz RXPFSFPCTUDBRS-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1F ZINC000284610800 675733796 /nfs/dbraw/zinc/73/37/96/675733796.db2.gz IHWODLUKGPAYSS-ZDUSSCGKSA-N 0 3 352.410 1.798 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292097079 676283125 /nfs/dbraw/zinc/28/31/25/676283125.db2.gz TWJHMZUFZVZHPP-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000298476773 676467334 /nfs/dbraw/zinc/46/73/34/676467334.db2.gz FJQUWNQDBWBRSK-STQMWFEESA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000364210004 676999642 /nfs/dbraw/zinc/99/96/42/676999642.db2.gz CJBPVUYJEUVYFZ-AWEZNQCLSA-N 0 3 351.403 1.279 20 5 FDBDHN CCOC(=O)c1cc(N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364269074 677003847 /nfs/dbraw/zinc/00/38/47/677003847.db2.gz LCCIOCWHQNDKKH-ZDUSSCGKSA-N 0 3 351.403 1.664 20 5 FDBDHN CCc1nn(C)c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364291286 677005439 /nfs/dbraw/zinc/00/54/39/677005439.db2.gz OZZROVSJCLLKOF-DZGCQCFKSA-N 0 3 350.467 1.353 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000377477738 678547633 /nfs/dbraw/zinc/54/76/33/678547633.db2.gz NXTLRUJDODFHDZ-LBPRGKRZSA-N 0 3 352.416 1.211 20 5 FDBDHN Cc1c(NC(=O)NC[C@@H]2CNCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000415667225 679475312 /nfs/dbraw/zinc/47/53/12/679475312.db2.gz XXXHUYPQJGQYHE-JTQLQIEISA-N 0 3 373.207 1.776 20 5 FDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420462837 680464942 /nfs/dbraw/zinc/46/49/42/680464942.db2.gz HZMKRYWHBJIUKV-QMMMGPOBSA-N 0 3 352.210 1.373 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1C ZINC000426211649 680952117 /nfs/dbraw/zinc/95/21/17/680952117.db2.gz UQZAOLHTSKBOBF-TZMCWYRMSA-N 0 3 350.423 1.621 20 5 FDBDHN COc1cccc(NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000475393652 685591246 /nfs/dbraw/zinc/59/12/46/685591246.db2.gz QPBRMPVOUYFGFA-UHFFFAOYSA-N 0 3 352.435 1.405 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000451441440 682880794 /nfs/dbraw/zinc/88/07/94/682880794.db2.gz YORVKHBNXFXWND-HNNXBMFYSA-N 0 3 359.329 1.634 20 5 FDBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000458624398 684294629 /nfs/dbraw/zinc/29/46/29/684294629.db2.gz RTUSDXQLCUVRFV-UONOGXRCSA-N 0 3 350.419 1.802 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000469713596 684983394 /nfs/dbraw/zinc/98/33/94/684983394.db2.gz PJMCEVCAGBIZFI-STQMWFEESA-N 0 3 352.439 1.380 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000472116181 685178027 /nfs/dbraw/zinc/17/80/27/685178027.db2.gz VPCGBMVYXJMPRE-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000480719724 686213531 /nfs/dbraw/zinc/21/35/31/686213531.db2.gz HIOLJGWBFGZARL-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491228096 687153273 /nfs/dbraw/zinc/15/32/73/687153273.db2.gz MIMVDRHIIPTGTK-UHFFFAOYSA-N 0 3 350.394 1.474 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000498515534 687801276 /nfs/dbraw/zinc/80/12/76/687801276.db2.gz UELDIBMXZXWEBU-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000500000047 688025147 /nfs/dbraw/zinc/02/51/47/688025147.db2.gz DQQNMOIUNMPEDS-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN C[C@@H]1CCN(C)CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000501287067 688167358 /nfs/dbraw/zinc/16/73/58/688167358.db2.gz SAYOKJWJHOANBU-LLVKDONJSA-N 0 3 368.821 1.531 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000502845595 688306008 /nfs/dbraw/zinc/30/60/08/688306008.db2.gz WCKCHXNIDMBJQT-RYUDHWBXSA-N 0 3 350.375 1.046 20 5 FDBDHN COc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000507818995 688678930 /nfs/dbraw/zinc/67/89/30/688678930.db2.gz LHJIYXBVGXEDRX-UHFFFAOYSA-N 0 3 358.416 1.614 20 5 FDBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164868341 721047671 /nfs/dbraw/zinc/04/76/71/721047671.db2.gz NYLRFCVWCPEQTN-IAGOWNOFSA-N 0 3 355.398 1.865 20 5 FDBDHN Cc1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164762119 721076214 /nfs/dbraw/zinc/07/62/14/721076214.db2.gz CNPSJBPYHMXEIM-HZPDHXFCSA-N 0 3 356.430 1.990 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1[N+](=O)[O-] ZINC000933336415 777303047 /nfs/dbraw/zinc/30/30/47/777303047.db2.gz QBJICIUQSOZYOT-KFWWJZLASA-N 0 3 374.441 1.510 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276671542 778623619 /nfs/dbraw/zinc/62/36/19/778623619.db2.gz TXFZZOIYUWDWMY-MRXNPFEDSA-N 0 3 369.425 1.886 20 5 FDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000430773297 779374119 /nfs/dbraw/zinc/37/41/19/779374119.db2.gz SAVQSQKTKHPLKF-KRWDZBQOSA-N 0 3 365.386 1.105 20 5 FDBDHN CCn1nc2c(cc1=O)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000375889392 785224768 /nfs/dbraw/zinc/22/47/68/785224768.db2.gz JUVXBBYNGUBTJO-UHFFFAOYSA-N 0 3 371.397 1.558 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000467723425 805644447 /nfs/dbraw/zinc/64/44/47/805644447.db2.gz OQOMOIMODAZZFJ-SWHYSGLUSA-N 0 3 364.450 1.426 20 5 FDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775626 792010963 /nfs/dbraw/zinc/01/09/63/792010963.db2.gz KBTUNMJBWOCINS-AMVBZWJASA-N 0 3 369.343 1.917 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000378274551 793846947 /nfs/dbraw/zinc/84/69/47/793846947.db2.gz RDUXWJWOHDTGOQ-GJZGRUSLSA-N 0 3 358.398 1.598 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893264455 794499495 /nfs/dbraw/zinc/49/94/95/794499495.db2.gz DVJONGUEYSCLJF-IAGOWNOFSA-N 0 3 362.430 1.378 20 5 FDBDHN NC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)Cc2ccccc2C1 ZINC000364237843 795507801 /nfs/dbraw/zinc/50/78/01/795507801.db2.gz AQUJLMIJIBBGRS-HNNXBMFYSA-N 0 3 367.409 1.499 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000500133398 795526410 /nfs/dbraw/zinc/52/64/10/795526410.db2.gz PWBRFXPONSCDFN-LJQANCHMSA-N 0 3 370.409 1.544 20 5 FDBDHN C[C@](O)(C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778610 803612191 /nfs/dbraw/zinc/61/21/91/803612191.db2.gz IRDYEODODRFAMA-UNEWFSDZSA-N 0 3 350.419 1.388 20 5 FDBDHN CCOc1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000503923281 814975752 /nfs/dbraw/zinc/97/57/52/814975752.db2.gz CJXSVNNLGAPRDE-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN O=C(C(=O)N1CCCNCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423616691 815161380 /nfs/dbraw/zinc/16/13/80/815161380.db2.gz WUCTYGUSTFLHQB-HNNXBMFYSA-N 0 3 360.414 1.123 20 5 FDBDHN CN(CCN1CCOC(C)(C)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000279368851 808952118 /nfs/dbraw/zinc/95/21/18/808952118.db2.gz SKIDUCFCOZAKGS-UHFFFAOYSA-N 0 3 361.402 1.654 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000423993830 815281850 /nfs/dbraw/zinc/28/18/50/815281850.db2.gz RJASIKTYAKCTBL-MRXNPFEDSA-N 0 3 370.409 1.925 20 5 FDBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000425061222 815511135 /nfs/dbraw/zinc/51/11/35/815511135.db2.gz YGFBGZVKILHJBI-XJKSGUPXSA-N 0 3 370.413 1.650 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413210899 813389990 /nfs/dbraw/zinc/38/99/90/813389990.db2.gz VWNCQDOUHZVMTA-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420389728 813639798 /nfs/dbraw/zinc/63/97/98/813639798.db2.gz YOORXXOZJLVESO-BLLLJJGKSA-N 0 3 373.417 1.309 20 5 FDBDHN Cc1cc(NCCCCn2cc(C(N)=O)nn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413602241 814006498 /nfs/dbraw/zinc/00/64/98/814006498.db2.gz CCNOVLWCSSOQRA-UHFFFAOYSA-N 0 3 369.385 1.456 20 5 FDBDHN CCc1nn(C)c(CC)c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518757939 817989902 /nfs/dbraw/zinc/98/99/02/817989902.db2.gz OQTKOGGDAWSBGR-ZDUSSCGKSA-N 0 3 362.430 1.983 20 5 FDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(CCCCCO)CC2)s1 ZINC000894963904 819405657 /nfs/dbraw/zinc/40/56/57/819405657.db2.gz FRRVOCSBMSNMAY-UHFFFAOYSA-N 0 3 351.432 1.884 20 5 FDBDHN C[C@@]1(Br)C[C@H]1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000895948871 823797495 /nfs/dbraw/zinc/79/74/95/823797495.db2.gz SJPRNKQAXGLIOE-IGHBBLSQSA-N 0 3 359.220 1.752 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441229848 828690702 /nfs/dbraw/zinc/69/07/02/828690702.db2.gz LFIOOJLNSIDHIS-UHFFFAOYSA-N 0 3 365.434 1.751 20 5 FDBDHN CCCN(CCN(C)C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000896828246 825083062 /nfs/dbraw/zinc/08/30/62/825083062.db2.gz FZDGBHWUGLFXIH-UHFFFAOYSA-N 0 3 360.418 1.648 20 5 FDBDHN CN1CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281803935 826255810 /nfs/dbraw/zinc/25/58/10/826255810.db2.gz PKUXAKJZEQQQEX-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428553989 833442218 /nfs/dbraw/zinc/44/22/18/833442218.db2.gz ZCRZRZJCPDXISP-AWEZNQCLSA-N 0 3 357.370 1.391 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452394739 830644020 /nfs/dbraw/zinc/64/40/20/830644020.db2.gz VLKABIOXFBOHER-ZDUSSCGKSA-N 0 3 374.397 1.425 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)n1 ZINC000428544428 832481945 /nfs/dbraw/zinc/48/19/45/832481945.db2.gz JQMGEKNOJRVEIZ-AWEZNQCLSA-N 0 3 359.386 1.630 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000191054568 832514281 /nfs/dbraw/zinc/51/42/81/832514281.db2.gz NWAYYWLDTHORHA-UHFFFAOYSA-N 0 3 361.446 1.553 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000913103641 861425032 /nfs/dbraw/zinc/42/50/32/861425032.db2.gz NAWQFKNJXMETQI-ZBFHGGJFSA-N 0 3 357.414 1.818 20 5 FDBDHN CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCN(C)C1 ZINC000899254936 845986858 /nfs/dbraw/zinc/98/68/58/845986858.db2.gz JXYPWVDOEFSRSO-OAHLLOKOSA-N 0 3 358.402 1.401 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910281965 857028667 /nfs/dbraw/zinc/02/86/67/857028667.db2.gz NZOZAQONTNHPMB-OCCSQVGLSA-N 0 3 366.466 1.770 20 5 FDBDHN CCN1CCN(CCNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000029587288 881600012 /nfs/dbraw/zinc/60/00/12/881600012.db2.gz LGWJMYLKJSKGMY-FNORWQNLSA-N 0 3 362.430 1.830 20 5 FDBDHN CC1(C)[C@@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC000172968796 865896578 /nfs/dbraw/zinc/89/65/78/865896578.db2.gz XDLVVJLUKAJETN-CALCHBBNSA-N 0 3 358.442 1.831 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916666091 882021055 /nfs/dbraw/zinc/02/10/55/882021055.db2.gz CRPMNMJACWPYTD-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916666534 882024282 /nfs/dbraw/zinc/02/42/82/882024282.db2.gz RDKPWOPGBLLXLE-MNOVXSKESA-N 0 3 359.835 1.820 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489160365 872180490 /nfs/dbraw/zinc/18/04/90/872180490.db2.gz YVKLBEZNRAVPCF-UHFFFAOYSA-N 0 3 362.430 1.343 20 5 FDBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000272711815 880459533 /nfs/dbraw/zinc/45/95/33/880459533.db2.gz XYGLGPQVZOBSAR-KRWDZBQOSA-N 0 3 373.413 1.753 20 5 FDBDHN CCc1nocc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034815694 885140640 /nfs/dbraw/zinc/14/06/40/885140640.db2.gz AXMFNUIFABJXTF-NVXWUHKLSA-N 0 3 358.398 1.808 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923291365 888747267 /nfs/dbraw/zinc/74/72/67/888747267.db2.gz QTLXPTNGAHFDGH-HZSPNIEDSA-N 0 3 364.450 1.522 20 5 FDBDHN CC(C)(C)c1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001086083151 925918558 /nfs/dbraw/zinc/91/85/58/925918558.db2.gz PAILVLHWHHXPIN-ZMJPVWNMSA-N 0 3 350.419 1.622 20 5 FDBDHN Cc1cn(CN2CCN(CC3CC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103264093 928686532 /nfs/dbraw/zinc/68/65/32/928686532.db2.gz NJZPJJVHXOWYQZ-UHFFFAOYSA-N 0 3 371.441 1.841 20 5 FDBDHN COC(=O)c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000790102090 933366265 /nfs/dbraw/zinc/36/62/65/933366265.db2.gz WLQXDEULPLKYPK-CQSZACIVSA-N 0 3 364.402 1.832 20 5 FDBDHN CCC/C=C/CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131354276 940556292 /nfs/dbraw/zinc/55/62/92/940556292.db2.gz XLEXNGCNNVRQPQ-FZZYSBJUSA-N 0 3 366.462 1.049 20 5 FDBDHN CC(C)S(=O)(=O)CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000808727362 940567513 /nfs/dbraw/zinc/56/75/13/940567513.db2.gz YQUMYFVZTBYZDB-GFCCVEGCSA-N 0 3 357.432 1.725 20 5 FDBDHN Cc1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001132908110 941146515 /nfs/dbraw/zinc/14/65/15/941146515.db2.gz YYDCENMQMDCQHT-UHFFFAOYSA-N 0 3 374.441 1.849 20 5 FDBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[N+](=O)[O-] ZINC000813103075 941325807 /nfs/dbraw/zinc/32/58/07/941325807.db2.gz MUSYYMFUGRECKF-CYBMUJFWSA-N 0 3 370.427 1.612 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813105701 941328737 /nfs/dbraw/zinc/32/87/37/941328737.db2.gz SABUVMRBYZSVMN-ZWNOBZJWSA-N 0 3 366.395 1.613 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[N+](=O)[O-] ZINC000813106532 941333889 /nfs/dbraw/zinc/33/38/89/941333889.db2.gz FAWDDTRRBCGATP-LLVKDONJSA-N 0 3 368.367 1.580 20 5 FDBDHN COc1cc(OC)cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108164 941334377 /nfs/dbraw/zinc/33/43/77/941334377.db2.gz BLTVSVICQJSITR-WDEREUQCSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813110258 941335248 /nfs/dbraw/zinc/33/52/48/941335248.db2.gz WAPCCDVGGLTEEU-NEPJUHHUSA-N 0 3 370.789 1.776 20 5 FDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000813113318 941335623 /nfs/dbraw/zinc/33/56/23/941335623.db2.gz XZPKYLHCLAQBIG-ZDUSSCGKSA-N 0 3 370.427 1.992 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN1C ZINC000817131715 942566296 /nfs/dbraw/zinc/56/62/96/942566296.db2.gz MBPSUVHVNALAAZ-JTQLQIEISA-N 0 3 352.347 1.820 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)[C@@H]2C1 ZINC000819718343 943704233 /nfs/dbraw/zinc/70/42/33/943704233.db2.gz VFOGCPPZIMGDSO-KBXCAEBGSA-N 0 3 374.441 1.598 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820263483 943985662 /nfs/dbraw/zinc/98/56/62/943985662.db2.gz GBPHYCLYDKTLJH-QPUJVOFHSA-N 0 3 369.219 1.716 20 5 FDBDHN CN1CCC[C@@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C1 ZINC000823133444 945513883 /nfs/dbraw/zinc/51/38/83/945513883.db2.gz PWIMMJUSRGUHHQ-SNVBAGLBSA-N 0 3 368.340 1.244 20 5 FDBDHN C/C(=C\C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000844762223 948370772 /nfs/dbraw/zinc/37/07/72/948370772.db2.gz NEGKDHLICITSNP-WYMLVPIESA-N 0 3 360.414 1.231 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCNC(=O)CC2(C)C)c([N+](=O)[O-])c1 ZINC001196960020 972010495 /nfs/dbraw/zinc/01/04/95/972010495.db2.gz BTVJRZKEZUEUTO-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC001197844566 972469463 /nfs/dbraw/zinc/46/94/63/972469463.db2.gz JCCOKKODCCYOLB-BBRMVZONSA-N 0 3 372.443 1.400 20 5 FDBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCOC[C@H](O)C3)CC2)c(F)c1 ZINC001173010296 961882495 /nfs/dbraw/zinc/88/24/95/961882495.db2.gz PZCWDHGSUGDNHL-CYBMUJFWSA-N 0 3 357.357 1.535 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC001175714737 963270354 /nfs/dbraw/zinc/27/03/54/963270354.db2.gz KZLNMMKEXZVDJG-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN CN(CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-])CCOCCO ZINC001187422636 965321532 /nfs/dbraw/zinc/32/15/32/965321532.db2.gz ITIKJKYDPQLERF-UHFFFAOYSA-N 0 3 352.366 1.057 20 5 FDBDHN Cc1c(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852435320 967304354 /nfs/dbraw/zinc/30/43/54/967304354.db2.gz LYMZGHGGOFTEBZ-CYBMUJFWSA-N 0 3 362.386 1.758 20 5 FDBDHN Cc1cc(F)cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000854642992 969046667 /nfs/dbraw/zinc/04/66/67/969046667.db2.gz PHLRFECTEKOXAD-UHFFFAOYSA-N 0 3 350.394 1.362 20 5 FDBDHN O=C1NCCC2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)O1 ZINC001198300492 972965530 /nfs/dbraw/zinc/96/55/30/972965530.db2.gz OHHIQVCESRMHOM-ZDUSSCGKSA-N 0 3 365.386 1.299 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC001198270529 972974641 /nfs/dbraw/zinc/97/46/41/972974641.db2.gz MPCSKIREBXAYOG-CQSZACIVSA-N 0 3 365.386 1.769 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794578569 973296286 /nfs/dbraw/zinc/29/62/86/973296286.db2.gz ZBIZZTBPSYSOLO-QWRGUYRKSA-N 0 3 354.794 1.691 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582691 976913171 /nfs/dbraw/zinc/91/31/71/976913171.db2.gz PGRDFZZBIJFYBW-JSGCOSHPSA-N 0 3 371.340 1.546 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582690 976913420 /nfs/dbraw/zinc/91/34/20/976913420.db2.gz PGRDFZZBIJFYBW-GXTWGEPZSA-N 0 3 371.340 1.546 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867815314 976925988 /nfs/dbraw/zinc/92/59/88/976925988.db2.gz ZPIYHDBBANPQNL-ZYHUDNBSSA-N 0 3 359.835 1.963 20 5 FDBDHN CC(C)N1CCN(CCCOC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000848790784 977112229 /nfs/dbraw/zinc/11/22/29/977112229.db2.gz QUCXWJXDXMMUHT-UHFFFAOYSA-N 0 3 351.407 1.145 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000859523413 982893670 /nfs/dbraw/zinc/89/36/70/982893670.db2.gz PSCHHVCMPXZAIP-IRXDYDNUSA-N 0 3 350.415 1.882 20 5 FDBDHN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000886911034 986732222 /nfs/dbraw/zinc/73/22/22/986732222.db2.gz ZPPOQNWGXQMGMK-XJKSGUPXSA-N 0 3 351.403 1.589 20 5 FDBDHN Cc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000825634301 988216981 /nfs/dbraw/zinc/21/69/81/988216981.db2.gz PIYJRDTVZVVIDA-SJORKVTESA-N 0 3 371.441 1.988 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000363517053 989265454 /nfs/dbraw/zinc/26/54/54/989265454.db2.gz YKAYAXNBRYXIDD-CQSZACIVSA-N 0 3 361.446 1.158 20 5 FDBDHN CN1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1=O 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ZEWIEQUYKWLXPJ-DLBZAZTESA-N 0 3 363.414 1.340 20 5 FDBDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267433613 999334599 /nfs/dbraw/zinc/33/45/99/999334599.db2.gz OGSUAOLCGBKNHF-TZMCWYRMSA-N 0 3 369.422 1.093 20 5 FDBDHN COc1ccc(OCCN2C[C@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286012794 999931176 /nfs/dbraw/zinc/93/11/76/999931176.db2.gz PMVOVOQSBHJCJF-HUUCEWRRSA-N 0 3 365.430 1.777 20 5 FDBDHN CN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930204171 1002925219 /nfs/dbraw/zinc/92/52/19/1002925219.db2.gz IKLUAOYKXYTRAB-QZTJIDSGSA-N 0 3 360.458 1.842 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931987573 1004675551 /nfs/dbraw/zinc/67/55/51/1004675551.db2.gz GEVINVMGYREHOE-OAHLLOKOSA-N 0 3 353.394 1.894 20 5 FDBDHN CN1CCN(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000933994028 1005674778 /nfs/dbraw/zinc/67/47/78/1005674778.db2.gz KAEMSEYOWDASJJ-UHFFFAOYSA-N 0 3 360.418 1.324 20 5 FDBDHN O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934260626 1005724556 /nfs/dbraw/zinc/72/45/56/1005724556.db2.gz BELURFKCHLUVKK-IRXDYDNUSA-N 0 3 374.441 1.015 20 5 FDBDHN CN1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935818955 1006037501 /nfs/dbraw/zinc/03/75/01/1006037501.db2.gz MVUHCROKWBAXLT-IRXDYDNUSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC000192231948 178104170 /nfs/dbraw/zinc/10/41/70/178104170.db2.gz CHXWGRMIWUHIQE-AWEZNQCLSA-N 0 3 359.386 1.339 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000192231948 178104173 /nfs/dbraw/zinc/10/41/73/178104173.db2.gz CHXWGRMIWUHIQE-AWEZNQCLSA-N 0 3 359.386 1.339 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000245709061 178376851 /nfs/dbraw/zinc/37/68/51/178376851.db2.gz NACVYFVZPHWABF-CZUORRHYSA-N 0 3 355.460 1.739 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000512329661 538972160 /nfs/dbraw/zinc/97/21/60/538972160.db2.gz AEQRLNZFIMUVEY-UHFFFAOYSA-N 0 3 355.394 1.961 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264016955 179014505 /nfs/dbraw/zinc/01/45/05/179014505.db2.gz NFCBCMXBAIMWKD-GFCCVEGCSA-N 0 3 352.464 1.990 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264223395 179053309 /nfs/dbraw/zinc/05/33/09/179053309.db2.gz WINUDKCFDNXEPO-UHFFFAOYSA-N 0 3 359.448 1.574 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268255307 180037200 /nfs/dbraw/zinc/03/72/00/180037200.db2.gz XTKMYOQTBJRKDE-BZNIZROVSA-N 0 3 361.398 1.984 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269082223 180211138 /nfs/dbraw/zinc/21/11/38/180211138.db2.gz GHAHMYGJXYJQOQ-TZMCWYRMSA-N 0 3 368.459 1.423 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269369107 180286477 /nfs/dbraw/zinc/28/64/77/180286477.db2.gz LPSFERSLCNEKTB-UHFFFAOYSA-N 0 3 352.439 1.199 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269625749 180344041 /nfs/dbraw/zinc/34/40/41/180344041.db2.gz COLUDMHWEVVWBH-UNEWFSDZSA-N 0 3 365.430 1.491 20 5 FDBDHN COc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000269643513 180348316 /nfs/dbraw/zinc/34/83/16/180348316.db2.gz YKYUSKGFDRYYTI-CYBMUJFWSA-N 0 3 367.402 1.189 20 5 FDBDHN COc1cc(C(=O)NC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000269643522 180348579 /nfs/dbraw/zinc/34/85/79/180348579.db2.gz YKYUSKGFDRYYTI-ZDUSSCGKSA-N 0 3 367.402 1.189 20 5 FDBDHN CC(C)OCCOC[C@@H](O)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672344 180357560 /nfs/dbraw/zinc/35/75/60/180357560.db2.gz VGEZTFNZVLNRBM-IRXDYDNUSA-N 0 3 356.419 1.363 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N1CCCC1 ZINC000275101717 181238935 /nfs/dbraw/zinc/23/89/35/181238935.db2.gz KAFKACHNCSFLLK-VXGBXAGGSA-N 0 3 353.448 1.289 20 5 FDBDHN NC(=O)c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533640047 540274659 /nfs/dbraw/zinc/27/46/59/540274659.db2.gz IAOMQBACHCVWDY-OAHLLOKOSA-N 0 3 362.430 1.775 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000534216484 540335801 /nfs/dbraw/zinc/33/58/01/540335801.db2.gz PZRUOSKLZVAZKD-KCPJHIHWSA-N 0 3 352.460 1.899 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC(OCCO)CC2)cccc1[N+](=O)[O-] ZINC000534510068 540374881 /nfs/dbraw/zinc/37/48/81/540374881.db2.gz PZKMPDXAZKESBI-UHFFFAOYSA-N 0 3 351.403 1.705 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000534517874 540376036 /nfs/dbraw/zinc/37/60/36/540376036.db2.gz DZZROXABPLPQHZ-UHFFFAOYSA-N 0 3 362.390 1.417 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000534828350 540416874 /nfs/dbraw/zinc/41/68/74/540416874.db2.gz QMLHXRUHFNJZLJ-LSDHHAIUSA-N 0 3 352.460 1.901 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000536234832 540570243 /nfs/dbraw/zinc/57/02/43/540570243.db2.gz UUWRRVURGXKMCK-KRWDZBQOSA-N 0 3 364.446 1.529 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n1 ZINC000536811414 540652532 /nfs/dbraw/zinc/65/25/32/540652532.db2.gz PJINZPOTNYZWIE-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCNC(=O)N(C)C ZINC000537526112 540739159 /nfs/dbraw/zinc/73/91/59/540739159.db2.gz RORZOEMUINPFET-UHFFFAOYSA-N 0 3 367.406 1.135 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537951153 540793095 /nfs/dbraw/zinc/79/30/95/540793095.db2.gz AFJBDFAFWKUSIY-NUEKZKHPSA-N 0 3 368.455 1.709 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542076267 541331598 /nfs/dbraw/zinc/33/15/98/541331598.db2.gz PKGNFKNRLSQHGF-PWSUYJOCSA-N 0 3 350.375 1.141 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000543009960 541518924 /nfs/dbraw/zinc/51/89/24/541518924.db2.gz LYYVAQPOHIJLDL-HNNXBMFYSA-N 0 3 360.414 1.328 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543994657 541698074 /nfs/dbraw/zinc/69/80/74/541698074.db2.gz BOKOUQGIUZFHRI-WCQYABFASA-N 0 3 355.416 1.479 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1 ZINC000544661047 541803226 /nfs/dbraw/zinc/80/32/26/541803226.db2.gz LESBCMPJHNGBTF-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280011517 181923536 /nfs/dbraw/zinc/92/35/36/181923536.db2.gz TWQMRCUDCBNAGO-JTQLQIEISA-N 0 3 357.388 1.239 20 5 FDBDHN COc1cc(CNCC2(OCCO)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000282713244 182046309 /nfs/dbraw/zinc/04/63/09/182046309.db2.gz PTFMJOHXWVSTEO-UHFFFAOYSA-N 0 3 370.402 1.260 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282785476 182056204 /nfs/dbraw/zinc/05/62/04/182056204.db2.gz NBVRPDLRIQFALH-HNNXBMFYSA-N 0 3 358.398 1.275 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000546569155 542166573 /nfs/dbraw/zinc/16/65/73/542166573.db2.gz ANNRIJRAZYNMOC-OAQYLSRUSA-N 0 3 365.433 1.338 20 5 FDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286550591 183094507 /nfs/dbraw/zinc/09/45/07/183094507.db2.gz CQNVHJKNETVNLT-HIFRSBDPSA-N 0 3 353.444 1.983 20 5 FDBDHN O=C([C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287392863 183280236 /nfs/dbraw/zinc/28/02/36/183280236.db2.gz NNWBLOBQFYYLNU-HOCLYGCPSA-N 0 3 363.414 1.279 20 5 FDBDHN COc1cc(CN[C@H]2CCCN(CCCO)C2)c([N+](=O)[O-])cc1OC ZINC000294681669 184000561 /nfs/dbraw/zinc/00/05/61/184000561.db2.gz BFVXPIQEYCFPIK-AWEZNQCLSA-N 0 3 353.419 1.548 20 5 FDBDHN CSc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000294753378 184006177 /nfs/dbraw/zinc/00/61/77/184006177.db2.gz IUZHMZMZHBGSGR-OAHLLOKOSA-N 0 3 363.443 1.932 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296359725 184157863 /nfs/dbraw/zinc/15/78/63/184157863.db2.gz IFLWFBJMYPXPPE-HIFRSBDPSA-N 0 3 374.445 1.304 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296518723 184174505 /nfs/dbraw/zinc/17/45/05/184174505.db2.gz KPOHAETUDSMDJS-UHFFFAOYSA-N 0 3 370.381 1.017 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000298491461 184449666 /nfs/dbraw/zinc/44/96/66/184449666.db2.gz CVZTZZLPYFSJGP-UHFFFAOYSA-N 0 3 369.443 1.970 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000172601447 258280201 /nfs/dbraw/zinc/28/02/01/258280201.db2.gz GIMULVWXPXRSDT-YPMHNXCESA-N 0 3 369.443 1.411 20 5 FDBDHN CN(CCCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccncc1 ZINC000570575230 549332313 /nfs/dbraw/zinc/33/23/13/549332313.db2.gz NYUFYYBKHTWACJ-UHFFFAOYSA-N 0 3 374.445 1.902 20 5 FDBDHN CN(c1ccccc1)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173258428 258294659 /nfs/dbraw/zinc/29/46/59/258294659.db2.gz FMOKQHOXQXRVBZ-GOSISDBHSA-N 0 3 359.430 1.753 20 5 FDBDHN Cn1ccnc1[C@H](NCCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552045074 543410444 /nfs/dbraw/zinc/41/04/44/543410444.db2.gz XOLOSRMXOVNPGL-GOSISDBHSA-N 0 3 373.457 1.854 20 5 FDBDHN CC(C)CN1CCO[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552957202 543542047 /nfs/dbraw/zinc/54/20/47/543542047.db2.gz KVFKXDLRUDADCW-WMZOPIPTSA-N 0 3 367.446 1.281 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092615590 172302112 /nfs/dbraw/zinc/30/21/12/172302112.db2.gz IEQIKFWENARXOW-FNORWQNLSA-N 0 3 360.458 1.998 20 5 FDBDHN Cc1sc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000103122359 172359620 /nfs/dbraw/zinc/35/96/20/172359620.db2.gz JVDVDNCZJPAVDO-UHFFFAOYSA-N 0 3 366.443 1.345 20 5 FDBDHN CC(C(=O)N(C)C)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130860986 173183131 /nfs/dbraw/zinc/18/31/31/173183131.db2.gz WAAWXTYGEPUWBQ-SNVBAGLBSA-N 0 3 367.383 1.641 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153702035 173477977 /nfs/dbraw/zinc/47/79/77/173477977.db2.gz NBHXTQPNKKQJDS-UHFFFAOYSA-N 0 3 353.810 1.388 20 5 FDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000292913490 676327425 /nfs/dbraw/zinc/32/74/25/676327425.db2.gz HKLWRNXMXGBHKP-UHFFFAOYSA-N 0 3 355.338 1.844 20 5 FDBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2cnccc21 ZINC000176974661 174097368 /nfs/dbraw/zinc/09/73/68/174097368.db2.gz LVANQRIENUNJMU-UHFFFAOYSA-N 0 3 352.347 1.774 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180850483 258376191 /nfs/dbraw/zinc/37/61/91/258376191.db2.gz NBBKEACYNAWDBU-STQMWFEESA-N 0 3 350.419 1.796 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000184521431 258382423 /nfs/dbraw/zinc/38/24/23/258382423.db2.gz HDTCUJOHSUVFTO-UHFFFAOYSA-N 0 3 350.419 1.998 20 5 FDBDHN COc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278488079 258495850 /nfs/dbraw/zinc/49/58/50/258495850.db2.gz KWUAHJOHUQLJJT-CYBMUJFWSA-N 0 3 351.403 1.834 20 5 FDBDHN O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN1C1CC1 ZINC000556787257 544200802 /nfs/dbraw/zinc/20/08/02/544200802.db2.gz FGKVMPMFCNVEGE-INIZCTEOSA-N 0 3 370.413 1.693 20 5 FDBDHN CN1CCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281712376 258675703 /nfs/dbraw/zinc/67/57/03/258675703.db2.gz HYEFPKYVQKVXRQ-UHFFFAOYSA-N 0 3 370.400 1.829 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(CC2CCCCC2)CC1 ZINC000299535339 259004669 /nfs/dbraw/zinc/00/46/69/259004669.db2.gz RPAKQRIXNKLTHA-UHFFFAOYSA-N 0 3 362.430 1.481 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301202347 259023139 /nfs/dbraw/zinc/02/31/39/259023139.db2.gz PWTMJJPJKGJSFC-UHFFFAOYSA-N 0 3 364.431 1.048 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301829315 259034255 /nfs/dbraw/zinc/03/42/55/259034255.db2.gz QXQXKTJPSMGFSP-CYBMUJFWSA-N 0 3 353.810 1.562 20 5 FDBDHN CCCN1CCC(N(C)S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000331216753 259181627 /nfs/dbraw/zinc/18/16/27/259181627.db2.gz FFZPBIGYORIGQI-UHFFFAOYSA-N 0 3 359.452 1.306 20 5 FDBDHN CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1 ZINC000331424261 259194503 /nfs/dbraw/zinc/19/45/03/259194503.db2.gz LEHKDKNQSUCPMB-LLVKDONJSA-N 0 3 366.443 1.471 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1C ZINC000332323066 259257439 /nfs/dbraw/zinc/25/74/39/259257439.db2.gz QVKYSNJHKAICIQ-CHWSQXEVSA-N 0 3 350.423 1.621 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368973751 260269890 /nfs/dbraw/zinc/26/98/90/260269890.db2.gz LIRDZVPEUHFTBT-QEORTHHSSA-N 0 3 360.414 1.818 20 5 FDBDHN Cc1nc2c(s1)CCC[C@@H]2CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369535400 260385518 /nfs/dbraw/zinc/38/55/18/260385518.db2.gz ALDRYRFRJNOCLN-TZMCWYRMSA-N 0 3 365.459 1.969 20 5 FDBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCN(C2CCOCC2)CC1 ZINC000369552334 260389228 /nfs/dbraw/zinc/38/92/28/260389228.db2.gz VKSYJJJRMPPPDV-UHFFFAOYSA-N 0 3 373.413 1.798 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369567865 260392337 /nfs/dbraw/zinc/39/23/37/260392337.db2.gz IYDKJSHGMXHJES-WBMJQRKESA-N 0 3 363.443 1.970 20 5 FDBDHN CCc1nccc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374121675 261081153 /nfs/dbraw/zinc/08/11/53/261081153.db2.gz OGJRQDQZMWQLOP-ZFWWWQNUSA-N 0 3 360.418 1.384 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)n1 ZINC000374526494 261148014 /nfs/dbraw/zinc/14/80/14/261148014.db2.gz IWXSLOBOFGMZFI-HNNXBMFYSA-N 0 3 357.414 1.765 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375354789 261321683 /nfs/dbraw/zinc/32/16/83/261321683.db2.gz NWIOJCOQRGRLSV-XJKSGUPXSA-N 0 3 366.805 1.834 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000408145166 262088294 /nfs/dbraw/zinc/08/82/94/262088294.db2.gz QLDPUOBMWPDXOS-SWLSCSKDSA-N 0 3 361.398 1.461 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270553676 674227404 /nfs/dbraw/zinc/22/74/04/674227404.db2.gz BWCBRRBWQGWXSA-BYCMXARLSA-N 0 3 352.460 1.899 20 5 FDBDHN CCN1CCC(NC(=O)COc2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000026271069 519113491 /nfs/dbraw/zinc/11/34/91/519113491.db2.gz SEMYHDKRWSFGBH-UHFFFAOYSA-N 0 3 365.386 1.361 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000027744105 519195316 /nfs/dbraw/zinc/19/53/16/519195316.db2.gz QTCLCRDWYVYZSI-KGLIPLIRSA-N 0 3 362.430 1.704 20 5 FDBDHN CCOC(=O)c1cc(C(=O)NCCCN(C)CCOC)cc([N+](=O)[O-])c1 ZINC000041967074 519674421 /nfs/dbraw/zinc/67/44/21/519674421.db2.gz BIXLUOCFFQKWMR-UHFFFAOYSA-N 0 3 367.402 1.470 20 5 FDBDHN COc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000044668999 521982979 /nfs/dbraw/zinc/98/29/79/521982979.db2.gz SCWSKPOVJRSZDK-QGZVFWFLSA-N 0 3 373.413 1.753 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000060064622 522347892 /nfs/dbraw/zinc/34/78/92/522347892.db2.gz ZGDFYXDVUZDRRM-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CCN(CC)C(=O)C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000072662011 522350812 /nfs/dbraw/zinc/35/08/12/522350812.db2.gz LDSMQBPNJCYSGD-OAHLLOKOSA-N 0 3 367.450 1.313 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Br)c2)c1 ZINC000048818565 522785398 /nfs/dbraw/zinc/78/53/98/522785398.db2.gz FBWHUHTYSNWOMU-CYBMUJFWSA-N 0 3 355.192 1.705 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000074492583 522786280 /nfs/dbraw/zinc/78/62/80/522786280.db2.gz HCOICADRMTZVEH-QGZVFWFLSA-N 0 3 361.446 1.911 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000048842129 522788129 /nfs/dbraw/zinc/78/81/29/522788129.db2.gz IEHZFYABQAQXMF-UHFFFAOYSA-N 0 3 371.441 1.990 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000066464459 523066514 /nfs/dbraw/zinc/06/65/14/523066514.db2.gz NGYZXBIEVLHTAE-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN COC1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000079683076 523781490 /nfs/dbraw/zinc/78/14/90/523781490.db2.gz YPRLOOUIIRMIRU-UHFFFAOYSA-N 0 3 360.414 1.777 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000111250132 524235997 /nfs/dbraw/zinc/23/59/97/524235997.db2.gz PBRLYYQYDSDACG-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000157288666 524245167 /nfs/dbraw/zinc/24/51/67/524245167.db2.gz QSDCMYAMSUUDNI-WBMJQRKESA-N 0 3 361.398 1.938 20 5 FDBDHN COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000157591142 524302915 /nfs/dbraw/zinc/30/29/15/524302915.db2.gz KMRBWNIAZQWNSY-UHFFFAOYSA-N 0 3 358.398 1.984 20 5 FDBDHN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC1CCN(C2CC2)CC1 ZINC000088605745 524459859 /nfs/dbraw/zinc/45/98/59/524459859.db2.gz WCOQQCJVWLJAPA-UHFFFAOYSA-N 0 3 358.442 1.696 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000112549620 524504285 /nfs/dbraw/zinc/50/42/85/524504285.db2.gz SZYXOXXTBUIXCB-CMPLNLGQSA-N 0 3 374.401 1.435 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000174122518 524517421 /nfs/dbraw/zinc/51/74/21/524517421.db2.gz HDINBLALCIUXAJ-ZDUSSCGKSA-N 0 3 365.434 1.608 20 5 FDBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159104504 524593355 /nfs/dbraw/zinc/59/33/55/524593355.db2.gz RCLFTNVMPWOBQV-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN CC(C)c1ccc(CNC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174489161 524601334 /nfs/dbraw/zinc/60/13/34/524601334.db2.gz LPUQVERZCNIPDA-SFHVURJKSA-N 0 3 351.447 1.891 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122826055 524626024 /nfs/dbraw/zinc/62/60/24/524626024.db2.gz DKJXQCYCRPJUBJ-OAHLLOKOSA-N 0 3 362.474 1.836 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000174646385 524671870 /nfs/dbraw/zinc/67/18/70/524671870.db2.gz OIECTNUBILJMER-BJJXKVORSA-N 0 3 360.414 1.408 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(CC3CCCCC3)CC2)c1 ZINC000174762829 524729179 /nfs/dbraw/zinc/72/91/79/524729179.db2.gz GHAMEMGOWMWJPF-KRWDZBQOSA-N 0 3 351.451 1.350 20 5 FDBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000159846626 524750811 /nfs/dbraw/zinc/75/08/11/524750811.db2.gz MAOCJELHDVZAKK-CABCVRRESA-N 0 3 351.403 1.008 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152068721 524769970 /nfs/dbraw/zinc/76/99/70/524769970.db2.gz NBWHRKCWGAFRGO-HNNXBMFYSA-N 0 3 361.402 1.365 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124522209 525009806 /nfs/dbraw/zinc/00/98/06/525009806.db2.gz WZNFGEYXGGUYDG-OAHLLOKOSA-N 0 3 362.430 1.773 20 5 FDBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCn2cc([N+](=O)[O-])cn2)o1 ZINC000162042226 525206071 /nfs/dbraw/zinc/20/60/71/525206071.db2.gz INLWBOWTWGHKBB-UHFFFAOYSA-N 0 3 364.406 1.466 20 5 FDBDHN CN(CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000162259987 525234632 /nfs/dbraw/zinc/23/46/32/525234632.db2.gz ZHPWRHBKOGHPSI-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN CC1(C)C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000178006462 525369496 /nfs/dbraw/zinc/36/94/96/525369496.db2.gz ZPXHOZMYQFHWAB-CQSZACIVSA-N 0 3 371.459 1.809 20 5 FDBDHN O=C(NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000178044415 525374553 /nfs/dbraw/zinc/37/45/53/525374553.db2.gz BFFCYWUVJQQYCM-OAHLLOKOSA-N 0 3 357.414 1.933 20 5 FDBDHN COc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000104532408 525418347 /nfs/dbraw/zinc/41/83/47/525418347.db2.gz UDHAIZUAHLKQST-AWEZNQCLSA-N 0 3 351.403 1.786 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104533843 525418397 /nfs/dbraw/zinc/41/83/97/525418397.db2.gz SSMGRONAOHTTNC-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN O=C(CCN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000178830261 525487603 /nfs/dbraw/zinc/48/76/03/525487603.db2.gz VVOICVOYUZBFNQ-HNNXBMFYSA-N 0 3 362.430 1.578 20 5 FDBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)Cc2ccccc2C1 ZINC000165536624 525555171 /nfs/dbraw/zinc/55/51/71/525555171.db2.gz YMOMLKQTYJHBTQ-UHFFFAOYSA-N 0 3 366.421 1.740 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000154601225 525586072 /nfs/dbraw/zinc/58/60/72/525586072.db2.gz TXDRXYPTUVMOOV-OAHLLOKOSA-N 0 3 353.444 1.842 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187157 525622559 /nfs/dbraw/zinc/62/25/59/525622559.db2.gz TXWUBFZOXQXETN-HOCLYGCPSA-N 0 3 355.398 1.573 20 5 FDBDHN O=C(CCN1CCC(OCCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155039134 525721302 /nfs/dbraw/zinc/72/13/02/525721302.db2.gz GVHDGTNLUOTGHS-UHFFFAOYSA-N 0 3 351.403 1.787 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119421217 525740092 /nfs/dbraw/zinc/74/00/92/525740092.db2.gz CEDKUHOKZALEHA-GWCFXTLKSA-N 0 3 368.821 1.985 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000120660017 526142402 /nfs/dbraw/zinc/14/24/02/526142402.db2.gz HBDKVAAPTRIMSM-UHFFFAOYSA-N 0 3 373.413 1.634 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109986275 526212372 /nfs/dbraw/zinc/21/23/72/526212372.db2.gz ZRTCISUWVUYIAE-GFCCVEGCSA-N 0 3 358.398 1.898 20 5 FDBDHN CCN1CCN([C@H]2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)CC1 ZINC000184210912 536116054 /nfs/dbraw/zinc/11/60/54/536116054.db2.gz GHVWTNNRCWOOOA-HNNXBMFYSA-N 0 3 366.437 1.954 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000184233847 536120409 /nfs/dbraw/zinc/12/04/09/536120409.db2.gz RMHJQFBLBILKRL-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184394910 536144997 /nfs/dbraw/zinc/14/49/97/536144997.db2.gz RINMCAHPBQOADO-ZDUSSCGKSA-N 0 3 368.865 1.933 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCCN1CCC[C@@H]1CO ZINC000184549567 536162361 /nfs/dbraw/zinc/16/23/61/536162361.db2.gz JXGCFZXGGWYLSU-OAHLLOKOSA-N 0 3 371.459 1.251 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1Cc1ccccc1 ZINC000185319012 536205451 /nfs/dbraw/zinc/20/54/51/536205451.db2.gz QECQHKZAWAPYHY-JSGCOSHPSA-N 0 3 355.398 1.965 20 5 FDBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000246253135 536910787 /nfs/dbraw/zinc/91/07/87/536910787.db2.gz JQXIGEUDQSBEEM-IXDOHACOSA-N 0 3 350.415 1.880 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000246414149 536947666 /nfs/dbraw/zinc/94/76/66/536947666.db2.gz CDJLEXJSQBUJCX-YUELXQCFSA-N 0 3 350.375 1.333 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000189128750 537002492 /nfs/dbraw/zinc/00/24/92/537002492.db2.gz LYZRTRSUSNYMHL-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000189211076 537012069 /nfs/dbraw/zinc/01/20/69/537012069.db2.gz GEIULVLXPUVPSN-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN Cc1csc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246856100 537039761 /nfs/dbraw/zinc/03/97/61/537039761.db2.gz FIKWFISCOCNCGU-GXTWGEPZSA-N 0 3 351.432 1.797 20 5 FDBDHN Cc1sc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000263683212 537064028 /nfs/dbraw/zinc/06/40/28/537064028.db2.gz HKABMIWTGLIADX-GFCCVEGCSA-N 0 3 368.459 1.637 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000189677709 537080688 /nfs/dbraw/zinc/08/06/88/537080688.db2.gz CJZZPLHVMOSRJL-OAHLLOKOSA-N 0 3 351.403 1.969 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189899165 537111573 /nfs/dbraw/zinc/11/15/73/537111573.db2.gz OPLOMLCKBVYHGZ-CABCVRRESA-N 0 3 367.446 1.112 20 5 FDBDHN CN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000247920075 537157281 /nfs/dbraw/zinc/15/72/81/537157281.db2.gz BQVSEMWOFKJMJT-CRAIPNDOSA-N 0 3 356.382 1.318 20 5 FDBDHN COc1cc(CNC(CO)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000266183241 537190962 /nfs/dbraw/zinc/19/09/62/537190962.db2.gz VUIORNIMHDHEHC-UHFFFAOYSA-N 0 3 362.382 1.625 20 5 FDBDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248610112 537196706 /nfs/dbraw/zinc/19/67/06/537196706.db2.gz FRDKOAMMZSGTKV-UKRRQHHQSA-N 0 3 354.407 1.206 20 5 FDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262776048 537254428 /nfs/dbraw/zinc/25/44/28/537254428.db2.gz NINKOZMAEGMRRD-KWQFWETISA-N 0 3 367.349 1.890 20 5 FDBDHN COCC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000270378039 537318299 /nfs/dbraw/zinc/31/82/99/537318299.db2.gz ORDSLBVALQGTHN-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000276205480 537328354 /nfs/dbraw/zinc/32/83/54/537328354.db2.gz ZLCRKXMCAVWZDQ-AAEUAGOBSA-N 0 3 364.402 1.483 20 5 FDBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000270445166 537332593 /nfs/dbraw/zinc/33/25/93/537332593.db2.gz BBWYGOILIBTPON-UHFFFAOYSA-N 0 3 350.419 1.818 20 5 FDBDHN O=[N+]([O-])c1c(F)cccc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365447084 537518823 /nfs/dbraw/zinc/51/88/23/537518823.db2.gz AGWWLJHNSNWYBM-GFCCVEGCSA-N 0 3 357.407 1.479 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365583349 537555192 /nfs/dbraw/zinc/55/51/92/537555192.db2.gz XZQKICHBMMBTQV-SJORKVTESA-N 0 3 371.397 1.374 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281675822 537576867 /nfs/dbraw/zinc/57/68/67/537576867.db2.gz DTWZXEZBCCILCZ-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000293979333 537633947 /nfs/dbraw/zinc/63/39/47/537633947.db2.gz GJIIMDPPRCZZFD-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994966 537928809 /nfs/dbraw/zinc/92/88/09/537928809.db2.gz OPBGYMREGZDIHW-IUODEOHRSA-N 0 3 367.402 1.309 20 5 FDBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000412565788 538001794 /nfs/dbraw/zinc/00/17/94/538001794.db2.gz RXIUIDSIAHSAKN-UHFFFAOYSA-N 0 3 363.374 1.379 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000419241597 538005613 /nfs/dbraw/zinc/00/56/13/538005613.db2.gz CAVGDDBKKLJOMZ-SWLSCSKDSA-N 0 3 362.430 1.714 20 5 FDBDHN CCOC(=O)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000451139600 538195336 /nfs/dbraw/zinc/19/53/36/538195336.db2.gz SFKUURFOBUUVBN-OAHLLOKOSA-N 0 3 350.371 1.485 20 5 FDBDHN CC(C)(C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423994231 538206779 /nfs/dbraw/zinc/20/67/79/538206779.db2.gz BTORPWKLLMBGCI-MRXNPFEDSA-N 0 3 372.429 1.786 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424420267 538295059 /nfs/dbraw/zinc/29/50/59/538295059.db2.gz QEUMUBUPGAWPOL-QWHCGFSZSA-N 0 3 360.374 1.296 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452061762 538359466 /nfs/dbraw/zinc/35/94/66/538359466.db2.gz PZRFSVVJHAMXOB-HIFRSBDPSA-N 0 3 366.443 1.707 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000452388380 538390325 /nfs/dbraw/zinc/39/03/25/538390325.db2.gz JIXCJQRXLVYRHC-QGZVFWFLSA-N 0 3 364.446 1.750 20 5 FDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449670561 538426345 /nfs/dbraw/zinc/42/63/45/538426345.db2.gz XRCBUWAJNKNKOB-CYBMUJFWSA-N 0 3 351.313 1.508 20 5 FDBDHN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000560563318 545545604 /nfs/dbraw/zinc/54/56/04/545545604.db2.gz OHMXPQBNDCAHQW-RYUDHWBXSA-N 0 3 368.459 1.258 20 5 FDBDHN COc1ccc(CN2CCC(O)(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000501130021 538627552 /nfs/dbraw/zinc/62/75/52/538627552.db2.gz BHUKUTVMJWHCAN-UHFFFAOYSA-N 0 3 365.430 1.263 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488525271 538742677 /nfs/dbraw/zinc/74/26/77/538742677.db2.gz XOXYKXGWHCJCBD-UKRRQHHQSA-N 0 3 358.402 1.213 20 5 FDBDHN COc1ccc(NC(=O)CCNC(C)(C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000560694193 545582531 /nfs/dbraw/zinc/58/25/31/545582531.db2.gz HESCAQHGBZYLDU-UHFFFAOYSA-N 0 3 352.391 1.388 20 5 FDBDHN CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)CC1 ZINC000484713246 538799494 /nfs/dbraw/zinc/79/94/94/538799494.db2.gz ZJNLTTDYWRDNGV-UHFFFAOYSA-N 0 3 358.402 1.390 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000489412159 538811545 /nfs/dbraw/zinc/81/15/45/538811545.db2.gz WBBFIIBPJOOCOK-GFCCVEGCSA-N 0 3 364.402 1.079 20 5 FDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000489740321 538837678 /nfs/dbraw/zinc/83/76/78/538837678.db2.gz FTEGZXLMNCBFGF-GZBFAFLISA-N 0 3 350.423 1.163 20 5 FDBDHN O=C1CCN1c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000563002257 546350698 /nfs/dbraw/zinc/35/06/98/546350698.db2.gz FKLLHOKVLQRWGB-MRXNPFEDSA-N 0 3 371.393 1.861 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433165 546534135 /nfs/dbraw/zinc/53/41/35/546534135.db2.gz QYYJXEIEYKLYNJ-GDBMZVCRSA-N 0 3 356.382 1.599 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000564050607 546786445 /nfs/dbraw/zinc/78/64/45/546786445.db2.gz NVLWDKSDSFMFGU-UKRRQHHQSA-N 0 3 350.467 1.582 20 5 FDBDHN CC(C)Oc1nc(NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000565222225 547261594 /nfs/dbraw/zinc/26/15/94/547261594.db2.gz NZUWBLCVJYXXFQ-CQSZACIVSA-N 0 3 352.435 2.282 20 5 FDBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000565891730 547522748 /nfs/dbraw/zinc/52/27/48/547522748.db2.gz CBFMOSCYGOIHFR-QWRGUYRKSA-N 0 3 371.415 1.162 20 5 FDBDHN O=c1oc2ccccc2n1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005048 547563195 /nfs/dbraw/zinc/56/31/95/547563195.db2.gz OVBMIMKPANSHOE-ZDUSSCGKSA-N 0 3 373.365 1.532 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000567104382 547996454 /nfs/dbraw/zinc/99/64/54/547996454.db2.gz MCEKEXIFARCRSE-MRXNPFEDSA-N 0 3 359.382 1.953 20 5 FDBDHN COC(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000570274027 549220713 /nfs/dbraw/zinc/22/07/13/549220713.db2.gz XNBCMKQPHDBPJN-NSHDSACASA-N 0 3 366.395 1.972 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570526554 549312377 /nfs/dbraw/zinc/31/23/77/549312377.db2.gz ALHVTYCRORLQBL-DOMZBBRYSA-N 0 3 355.398 1.965 20 5 FDBDHN CN(C(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000570949021 549472413 /nfs/dbraw/zinc/47/24/13/549472413.db2.gz UHJAUJVDXZPBCC-ZWKOTPCHSA-N 0 3 363.414 1.467 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571666090 549728218 /nfs/dbraw/zinc/72/82/18/549728218.db2.gz QTLXPTNGAHFDGH-MJBXVCDLSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H](O)C(F)(F)F)cc1 ZINC000576346118 550538235 /nfs/dbraw/zinc/53/82/35/550538235.db2.gz CWUGAIHTVXTEPW-NSHDSACASA-N 0 3 356.322 1.271 20 5 FDBDHN CC(=O)N1CCC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000576698115 550576533 /nfs/dbraw/zinc/57/65/33/550576533.db2.gz UPZXTCKFRPOWBL-AWEZNQCLSA-N 0 3 369.443 1.217 20 5 FDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577624108 550676921 /nfs/dbraw/zinc/67/69/21/550676921.db2.gz NRWVJMJLLSFFGN-LLVKDONJSA-N 0 3 355.416 1.479 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000578357329 550755991 /nfs/dbraw/zinc/75/59/91/550755991.db2.gz HPQFHTGENYGUEU-UHFFFAOYSA-N 0 3 352.439 1.474 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584189856 551461382 /nfs/dbraw/zinc/46/13/82/551461382.db2.gz XMUQSROGBGCZCH-HNNXBMFYSA-N 0 3 369.425 2.426 20 5 FDBDHN CN(C)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000584585591 551522152 /nfs/dbraw/zinc/52/21/52/551522152.db2.gz MJRLENKBZRIANH-UKRRQHHQSA-N 0 3 355.460 1.831 20 5 FDBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586779776 551618804 /nfs/dbraw/zinc/61/88/04/551618804.db2.gz JEEVOKIYFFTMQQ-UHFFFAOYSA-N 0 3 353.448 1.799 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000588002851 551639793 /nfs/dbraw/zinc/63/97/93/551639793.db2.gz VZZMDAJVYZHABS-LBPRGKRZSA-N 0 3 350.375 1.442 20 5 FDBDHN CS[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@@H]1N(C)C ZINC000588007946 551640013 /nfs/dbraw/zinc/64/00/13/551640013.db2.gz VHQQIPCKBSYZIJ-LSDHHAIUSA-N 0 3 365.459 1.267 20 5 FDBDHN CS[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H]1N(C)C ZINC000588007945 551640300 /nfs/dbraw/zinc/64/03/00/551640300.db2.gz VHQQIPCKBSYZIJ-HUUCEWRRSA-N 0 3 365.459 1.267 20 5 FDBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860118 551693846 /nfs/dbraw/zinc/69/38/46/551693846.db2.gz DUCBSNFYYYTSGK-CABCVRRESA-N 0 3 371.397 1.062 20 5 FDBDHN C[C@@H](CC(N)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315636 551724538 /nfs/dbraw/zinc/72/45/38/551724538.db2.gz JDIGISQJSSBDIB-ZETCQYMHSA-N 0 3 363.155 1.553 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210411 551764877 /nfs/dbraw/zinc/76/48/77/551764877.db2.gz ZUUWTZJVIQCQIA-MSOLQXFVSA-N 0 3 363.414 1.751 20 5 FDBDHN C[C@H]1CCCN(c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000590369296 551776689 /nfs/dbraw/zinc/77/66/89/551776689.db2.gz AUXOOZIWNZVWCV-ZFWWWQNUSA-N 0 3 364.446 1.483 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000590442786 551784856 /nfs/dbraw/zinc/78/48/56/551784856.db2.gz BEGJWUVYEITPIU-YJBOKZPZSA-N 0 3 358.442 1.974 20 5 FDBDHN Cn1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590446474 551785810 /nfs/dbraw/zinc/78/58/10/551785810.db2.gz UBISLVIPTROYAC-XJKSGUPXSA-N 0 3 355.398 1.771 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590752973 551812448 /nfs/dbraw/zinc/81/24/48/551812448.db2.gz WYUAUMOJDWBAOS-UHTWSYAYSA-N 0 3 365.386 1.862 20 5 FDBDHN COc1cccc2c1OC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000591733871 551904890 /nfs/dbraw/zinc/90/48/90/551904890.db2.gz XRDBGWXEKNTPMP-ZBFHGGJFSA-N 0 3 374.393 1.936 20 5 FDBDHN COc1cccc2c1OC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000591733882 551904898 /nfs/dbraw/zinc/90/48/98/551904898.db2.gz YSBPYEAORYGHNF-LSDHHAIUSA-N 0 3 374.393 1.936 20 5 FDBDHN C[S@](=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591750179 551905948 /nfs/dbraw/zinc/90/59/48/551905948.db2.gz WMMIUUIVIJZCOG-BZQUYTCOSA-N 0 3 364.423 1.862 20 5 FDBDHN CN(C)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000591758039 551906591 /nfs/dbraw/zinc/90/65/91/551906591.db2.gz PZOCNTMUPJOOTC-OAHLLOKOSA-N 0 3 351.382 1.143 20 5 FDBDHN NC(=O)Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591767662 551907306 /nfs/dbraw/zinc/90/73/06/551907306.db2.gz IJUKQXAWCZGNBM-OAHLLOKOSA-N 0 3 359.382 1.152 20 5 FDBDHN Cc1c(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000591971487 551921969 /nfs/dbraw/zinc/92/19/69/551921969.db2.gz ZYTAOQLINVIQCS-CYBMUJFWSA-N 0 3 363.418 1.165 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000591985461 551923477 /nfs/dbraw/zinc/92/34/77/551923477.db2.gz ODERTCYLRUIBQF-JTQLQIEISA-N 0 3 358.345 1.752 20 5 FDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593090474 552060670 /nfs/dbraw/zinc/06/06/70/552060670.db2.gz XZVCDPKXBHNNLB-AEFFLSMTSA-N 0 3 359.430 1.011 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1=O ZINC000593235306 552075475 /nfs/dbraw/zinc/07/54/75/552075475.db2.gz RONXIXDVYYJCRQ-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(CCN(C)C)C(=O)C1 ZINC000593485689 552116002 /nfs/dbraw/zinc/11/60/02/552116002.db2.gz AYBOOMDWUHZOML-UHFFFAOYSA-N 0 3 373.413 1.362 20 5 FDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000594198199 552263292 /nfs/dbraw/zinc/26/32/92/552263292.db2.gz FIVVGCYUMJJWNU-GJZGRUSLSA-N 0 3 370.413 1.922 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000594343907 552292797 /nfs/dbraw/zinc/29/27/97/552292797.db2.gz STTIFXHQFGMGKR-UHFFFAOYSA-N 0 3 359.386 1.256 20 5 FDBDHN NC[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000594523476 552327260 /nfs/dbraw/zinc/32/72/60/552327260.db2.gz CHWVDMCHDCLKRT-SECBINFHSA-N 0 3 350.301 1.027 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(O)CCS(=O)(=O)CC1 ZINC000595025279 552439130 /nfs/dbraw/zinc/43/91/30/552439130.db2.gz LAHMHHMRDBIWQJ-NSHDSACASA-N 0 3 358.416 1.194 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000595412172 552554267 /nfs/dbraw/zinc/55/42/67/552554267.db2.gz VFVLGQFUUPXYIH-AWEZNQCLSA-N 0 3 353.444 1.995 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000595535918 552580733 /nfs/dbraw/zinc/58/07/33/552580733.db2.gz JJNVDLXMFFUALH-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN O=C(CN[C@@H](C1CC1)C1(CO)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595597766 552590648 /nfs/dbraw/zinc/59/06/48/552590648.db2.gz VDHFOKRKEHQUSX-KRWDZBQOSA-N 0 3 363.414 1.691 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)C[C@@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000595735414 552608331 /nfs/dbraw/zinc/60/83/31/552608331.db2.gz HOQUSQZPFQNSDC-CYBMUJFWSA-N 0 3 353.375 1.279 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1COCCO1 ZINC000595737046 552608952 /nfs/dbraw/zinc/60/89/52/552608952.db2.gz PRVOQGSYKHUYBF-CYBMUJFWSA-N 0 3 353.375 1.279 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](CN)C(F)(F)F ZINC000595909964 552631995 /nfs/dbraw/zinc/63/19/95/552631995.db2.gz VTPCWLFEPUVDKP-LLVKDONJSA-N 0 3 350.297 1.363 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596051013 552650041 /nfs/dbraw/zinc/65/00/41/552650041.db2.gz KNUBERXTCZJEOX-JTQLQIEISA-N 0 3 357.310 1.114 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596168175 552661665 /nfs/dbraw/zinc/66/16/65/552661665.db2.gz MAFMSCILIZOTFR-GFCCVEGCSA-N 0 3 353.810 1.386 20 5 FDBDHN CN1CCC[C@@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596243569 552667724 /nfs/dbraw/zinc/66/77/24/552667724.db2.gz JBQOKXZOQMQYSC-OAHLLOKOSA-N 0 3 354.432 1.164 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@H]1CCCN1C ZINC000596277230 552670435 /nfs/dbraw/zinc/67/04/35/552670435.db2.gz DEYDLECPOVMHOC-CQSZACIVSA-N 0 3 370.475 1.814 20 5 FDBDHN Cc1c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000596635183 552695456 /nfs/dbraw/zinc/69/54/56/552695456.db2.gz IIDKRVAQEWGWDE-UHFFFAOYSA-N 0 3 351.407 1.387 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596788406 552710509 /nfs/dbraw/zinc/71/05/09/552710509.db2.gz RBNCSBWTUDOWKP-UHFFFAOYSA-N 0 3 365.434 1.695 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597207862 552760664 /nfs/dbraw/zinc/76/06/64/552760664.db2.gz HWNMWPXRLRXZAP-DYEKYZERSA-N 0 3 369.443 1.867 20 5 FDBDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597617420 552812664 /nfs/dbraw/zinc/81/26/64/552812664.db2.gz QRLQMMTYLDOQFJ-ZDUSSCGKSA-N 0 3 367.450 1.651 20 5 FDBDHN CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598040496 552859507 /nfs/dbraw/zinc/85/95/07/552859507.db2.gz GPQLWOXHHUVMHZ-INIZCTEOSA-N 0 3 362.430 1.657 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000598195426 552874980 /nfs/dbraw/zinc/87/49/80/552874980.db2.gz NFIUKBQCCMYQER-HNNXBMFYSA-N 0 3 369.425 1.961 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598341784 552887483 /nfs/dbraw/zinc/88/74/83/552887483.db2.gz GEVIBCPVGADNEA-LLVKDONJSA-N 0 3 368.821 1.579 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000598535951 552906856 /nfs/dbraw/zinc/90/68/56/552906856.db2.gz MGGCTPYWAKDFAY-AWEZNQCLSA-N 0 3 350.419 1.649 20 5 FDBDHN C[C@@H]1CCCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598591121 552912404 /nfs/dbraw/zinc/91/24/04/552912404.db2.gz TUJKBQUAPVXIBI-CYBMUJFWSA-N 0 3 350.423 1.508 20 5 FDBDHN COC(=O)c1ccnc(NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598620911 552916886 /nfs/dbraw/zinc/91/68/86/552916886.db2.gz PVNCJDWCVIQFNO-LBPRGKRZSA-N 0 3 352.391 1.689 20 5 FDBDHN CN(CCN1CCCCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630379 552918291 /nfs/dbraw/zinc/91/82/91/552918291.db2.gz JLUHRRRKICNOGG-UHFFFAOYSA-N 0 3 350.423 1.144 20 5 FDBDHN CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000598898302 552941140 /nfs/dbraw/zinc/94/11/40/552941140.db2.gz QVODCSKJJIRJGT-OAHLLOKOSA-N 0 3 361.402 1.411 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901105 552941683 /nfs/dbraw/zinc/94/16/83/552941683.db2.gz NYQWBUFXHNYGGF-ABAIWWIYSA-N 0 3 361.402 1.315 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598990748 552954748 /nfs/dbraw/zinc/95/47/48/552954748.db2.gz HUAXKUJRKZEEQE-CQSZACIVSA-N 0 3 353.386 1.709 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599389976 553042772 /nfs/dbraw/zinc/04/27/72/553042772.db2.gz CYDXSDDFMVJRBW-LBPRGKRZSA-N 0 3 361.377 1.991 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599940569 553180017 /nfs/dbraw/zinc/18/00/17/553180017.db2.gz QDHPYHZFQMYMSB-JQWIXIFHSA-N 0 3 355.341 1.083 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599940570 553180045 /nfs/dbraw/zinc/18/00/45/553180045.db2.gz QDHPYHZFQMYMSB-PWSUYJOCSA-N 0 3 355.341 1.083 20 5 FDBDHN C[C@]1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCS1 ZINC000600133160 553223468 /nfs/dbraw/zinc/22/34/68/553223468.db2.gz SVARFRVJEWIKRO-CQSZACIVSA-N 0 3 359.473 1.748 20 5 FDBDHN CN(C)CCCS(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601383644 553390259 /nfs/dbraw/zinc/39/02/59/553390259.db2.gz RSLNDCNFIWZCLI-AWEZNQCLSA-N 0 3 359.473 1.924 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601608620 553444463 /nfs/dbraw/zinc/44/44/63/553444463.db2.gz KKWHBRJIZZJXSU-QGZVFWFLSA-N 0 3 361.442 1.980 20 5 FDBDHN Cc1ccc(CN2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000601879738 553485900 /nfs/dbraw/zinc/48/59/00/553485900.db2.gz IYBQBLYBOLVVIP-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN COC[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCN1 ZINC000602429078 553579975 /nfs/dbraw/zinc/57/99/75/553579975.db2.gz DIYJYQHHLKQQGV-GOSISDBHSA-N 0 3 362.430 1.402 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000602788144 553638338 /nfs/dbraw/zinc/63/83/38/553638338.db2.gz SXMCSDRGJUQMII-CQSZACIVSA-N 0 3 351.451 1.974 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000602852870 553651311 /nfs/dbraw/zinc/65/13/11/553651311.db2.gz SSYGBMFIOXVJOO-MRXNPFEDSA-N 0 3 357.414 1.738 20 5 FDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602892567 553662549 /nfs/dbraw/zinc/66/25/49/553662549.db2.gz PVLCCZLNIDFBBQ-LBPRGKRZSA-N 0 3 362.352 1.715 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000603146509 553715774 /nfs/dbraw/zinc/71/57/74/553715774.db2.gz SPNOXZMRNOUBBM-ZIAGYGMSSA-N 0 3 358.320 1.915 20 5 FDBDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604306624 553861645 /nfs/dbraw/zinc/86/16/45/553861645.db2.gz ZZJQWQKGTVSDEK-HIFRSBDPSA-N 0 3 352.387 1.752 20 5 FDBDHN CNc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000609187986 554347086 /nfs/dbraw/zinc/34/70/86/554347086.db2.gz XWUFCNXBLCAQSY-AWEZNQCLSA-N 0 3 350.419 1.819 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609347065 554370244 /nfs/dbraw/zinc/37/02/44/554370244.db2.gz MOSHVSNWYXGGBW-UHFFFAOYSA-N 0 3 353.423 1.256 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384501 554373618 /nfs/dbraw/zinc/37/36/18/554373618.db2.gz ZMAUPNUYIOCFLL-GFCCVEGCSA-N 0 3 354.432 1.399 20 5 FDBDHN CN1CCC[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609392307 554373997 /nfs/dbraw/zinc/37/39/97/554373997.db2.gz YHGNRBYCILVYND-JTQLQIEISA-N 0 3 354.794 1.188 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000609531305 554387801 /nfs/dbraw/zinc/38/78/01/554387801.db2.gz PNCQITXJHUUFIZ-UHFFFAOYSA-N 0 3 373.413 1.582 20 5 FDBDHN CNc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000609710509 554415132 /nfs/dbraw/zinc/41/51/32/554415132.db2.gz TUMJYSBZGXDDDM-CQSZACIVSA-N 0 3 350.419 1.459 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000610819607 554567087 /nfs/dbraw/zinc/56/70/87/554567087.db2.gz AMRZOBIQJPUJIC-SJORKVTESA-N 0 3 362.474 1.960 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000610922979 554581180 /nfs/dbraw/zinc/58/11/80/554581180.db2.gz WGJODGBPFUQZMA-CYBMUJFWSA-N 0 3 364.450 1.293 20 5 FDBDHN COc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000611255859 554619884 /nfs/dbraw/zinc/61/98/84/554619884.db2.gz OLISSJAODDEWRT-ZDUSSCGKSA-N 0 3 352.410 1.959 20 5 FDBDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000611320576 554625069 /nfs/dbraw/zinc/62/50/69/554625069.db2.gz OCIHFKAHFYSYBV-TZMCWYRMSA-N 0 3 354.407 1.063 20 5 FDBDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000611498384 554638341 /nfs/dbraw/zinc/63/83/41/554638341.db2.gz NCUXCJJBQHUEKX-BDJLRTHQSA-N 0 3 350.350 1.544 20 5 FDBDHN COc1cc(CNCCc2nnnn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520938 554640896 /nfs/dbraw/zinc/64/08/96/554640896.db2.gz UYRDTAIRNFEIBK-UHFFFAOYSA-N 0 3 372.332 1.103 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000611752965 554675322 /nfs/dbraw/zinc/67/53/22/554675322.db2.gz AWNXEWPSTNSJFA-AWEZNQCLSA-N 0 3 351.403 1.886 20 5 FDBDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065572 554729245 /nfs/dbraw/zinc/72/92/45/554729245.db2.gz BYVBFVAHUUDTNL-KGLIPLIRSA-N 0 3 352.387 1.752 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000619486794 555786494 /nfs/dbraw/zinc/78/64/94/555786494.db2.gz YEFQVTQNGPODIW-RYUDHWBXSA-N 0 3 357.432 1.564 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369798 598238929 /nfs/dbraw/zinc/23/89/29/598238929.db2.gz OWCZPRHLTCMTTH-ZDUSSCGKSA-N 0 3 374.405 1.225 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369798 598238930 /nfs/dbraw/zinc/23/89/30/598238930.db2.gz OWCZPRHLTCMTTH-ZDUSSCGKSA-N 0 3 374.405 1.225 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000738357079 598245611 /nfs/dbraw/zinc/24/56/11/598245611.db2.gz AJYINNKJINVSKB-UHFFFAOYSA-N 0 3 373.417 1.832 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000738357079 598245612 /nfs/dbraw/zinc/24/56/12/598245612.db2.gz AJYINNKJINVSKB-UHFFFAOYSA-N 0 3 373.417 1.832 20 5 FDBDHN COc1cc(CNCCCNC(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272516119 674453019 /nfs/dbraw/zinc/45/30/19/674453019.db2.gz XQZHMRSLTPBVSP-UHFFFAOYSA-N 0 3 361.345 1.863 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092797 607467767 /nfs/dbraw/zinc/46/77/67/607467767.db2.gz POIQQLFONXFXRB-GFCCVEGCSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092797 607467768 /nfs/dbraw/zinc/46/77/68/607467768.db2.gz POIQQLFONXFXRB-GFCCVEGCSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092797 607467769 /nfs/dbraw/zinc/46/77/69/607467769.db2.gz POIQQLFONXFXRB-GFCCVEGCSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092797 607467770 /nfs/dbraw/zinc/46/77/70/607467770.db2.gz POIQQLFONXFXRB-GFCCVEGCSA-N 0 3 360.422 1.950 20 5 FDBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602796 606402962 /nfs/dbraw/zinc/40/29/62/606402962.db2.gz VIBXWKLUQLQQIG-UHFFFAOYSA-N 0 3 372.364 1.853 20 5 FDBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602796 606402963 /nfs/dbraw/zinc/40/29/63/606402963.db2.gz VIBXWKLUQLQQIG-UHFFFAOYSA-N 0 3 372.364 1.853 20 5 FDBDHN CCOc1cc(CN(C)C2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000276954591 674817986 /nfs/dbraw/zinc/81/79/86/674817986.db2.gz URSNVZVRHMCTJS-UHFFFAOYSA-N 0 3 371.459 1.849 20 5 FDBDHN COc1cc(CNCC2(N3CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000277480618 674952078 /nfs/dbraw/zinc/95/20/78/674952078.db2.gz MEHAXHGDSSNUFQ-UHFFFAOYSA-N 0 3 351.403 1.566 20 5 FDBDHN COC[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261924601 672694885 /nfs/dbraw/zinc/69/48/85/672694885.db2.gz SCNBMBGQQJPQEN-CYBMUJFWSA-N 0 3 363.823 1.295 20 5 FDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCn2cc(CO)nn2)c1 ZINC000289447518 676137512 /nfs/dbraw/zinc/13/75/12/676137512.db2.gz BGXGFVQEYVDGGX-UHFFFAOYSA-N 0 3 357.317 1.460 20 5 FDBDHN CN1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1(C)C ZINC000281892505 675574205 /nfs/dbraw/zinc/57/42/05/675574205.db2.gz YHXXZVLOIHZYTF-UHFFFAOYSA-N 0 3 353.398 1.072 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292097075 676283191 /nfs/dbraw/zinc/28/31/91/676283191.db2.gz TWJHMZUFZVZHPP-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1C ZINC000292106416 676283916 /nfs/dbraw/zinc/28/39/16/676283916.db2.gz VALKFPSELARXOK-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000364958464 677341002 /nfs/dbraw/zinc/34/10/02/677341002.db2.gz ZKPRLPUZBHONGI-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN Cc1cnc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369788929 677517228 /nfs/dbraw/zinc/51/72/28/677517228.db2.gz GUCVPWSHHFKDQO-OCCSQVGLSA-N 0 3 351.432 1.797 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411984380 679139600 /nfs/dbraw/zinc/13/96/00/679139600.db2.gz CXHNRZJMBVOMTG-KCQAQPDRSA-N 0 3 351.403 1.607 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1F ZINC000412243886 679167329 /nfs/dbraw/zinc/16/73/29/679167329.db2.gz FZXKYFQRPIUCLY-BXUZGUMPSA-N 0 3 351.378 1.838 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429782722 681047703 /nfs/dbraw/zinc/04/77/03/681047703.db2.gz GXVGWPXSZFUOQG-PWSUYJOCSA-N 0 3 354.794 1.691 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433795591 681215545 /nfs/dbraw/zinc/21/55/45/681215545.db2.gz YUBCLFZZDCUBIR-ZDUSSCGKSA-N 0 3 368.459 1.932 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475093690 685557960 /nfs/dbraw/zinc/55/79/60/685557960.db2.gz HRZVNLQWINZFAR-QWHCGFSZSA-N 0 3 351.403 1.671 20 5 FDBDHN CC(C)N1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000452101371 683027781 /nfs/dbraw/zinc/02/77/81/683027781.db2.gz GKJKQOPARVUKPV-HNNXBMFYSA-N 0 3 355.460 1.882 20 5 FDBDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000457848403 683793749 /nfs/dbraw/zinc/79/37/49/683793749.db2.gz JPWYQTLBRIAOFF-CZUORRHYSA-N 0 3 350.419 1.802 20 5 FDBDHN C[C@@H](O)CN(C)C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497531486 687685115 /nfs/dbraw/zinc/68/51/15/687685115.db2.gz BXYWRBLIUNIZHP-GFCCVEGCSA-N 0 3 371.459 1.280 20 5 FDBDHN CCOc1cc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510765375 689418555 /nfs/dbraw/zinc/41/85/55/689418555.db2.gz QYZYXRXIFHQQLQ-KBPBESRZSA-N 0 3 371.459 1.944 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000517868276 690098369 /nfs/dbraw/zinc/09/83/69/690098369.db2.gz HXCDKBBPYHOHTE-INIZCTEOSA-N 0 3 351.403 1.543 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000520396808 690316693 /nfs/dbraw/zinc/31/66/93/690316693.db2.gz MULMEYJSZNBXEJ-CVEARBPZSA-N 0 3 353.444 1.585 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532854447 694892249 /nfs/dbraw/zinc/89/22/49/694892249.db2.gz JCVYACVOAFGZOA-RYUDHWBXSA-N 0 3 359.452 1.305 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164682457 719714358 /nfs/dbraw/zinc/71/43/58/719714358.db2.gz DXLUYVJNJHBHQR-UHFFFAOYSA-N 0 3 351.382 1.310 20 5 FDBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868355 721062158 /nfs/dbraw/zinc/06/21/58/721062158.db2.gz OAIDVAFDRUFLLH-HOTGVXAUSA-N 0 3 355.398 1.865 20 5 FDBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(N)n4)C[C@H]3C2)cn1 ZINC001164773226 721156416 /nfs/dbraw/zinc/15/64/16/721156416.db2.gz XGRCOPGAYUMORE-UONOGXRCSA-N 0 3 357.418 1.264 20 5 FDBDHN CCCN(C)CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478100907 782591316 /nfs/dbraw/zinc/59/13/16/782591316.db2.gz AOOYFZOSEFKFSS-UHFFFAOYSA-N 0 3 374.445 1.852 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000933333007 777274505 /nfs/dbraw/zinc/27/45/05/777274505.db2.gz MUZNVVPKAOBUBS-CQSZACIVSA-N 0 3 364.446 1.613 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000375877078 785193842 /nfs/dbraw/zinc/19/38/42/785193842.db2.gz RRQDZHNCQJHLCS-IWAYRVGRSA-N 0 3 372.425 1.549 20 5 FDBDHN Cc1cc(OCC(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000431918659 794940493 /nfs/dbraw/zinc/94/04/93/794940493.db2.gz KKRFCTBVSZZILP-MRXNPFEDSA-N 0 3 365.430 1.851 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724725 815215507 /nfs/dbraw/zinc/21/55/07/815215507.db2.gz NCBFIDFNKHSYEW-CJBNDPTMSA-N 0 3 359.386 1.942 20 5 FDBDHN CN(CC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366193811 810876989 /nfs/dbraw/zinc/87/69/89/810876989.db2.gz WJHBCNYRKKDHSO-OAHLLOKOSA-N 0 3 362.430 1.401 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@@H]2C1 ZINC000425059448 815510304 /nfs/dbraw/zinc/51/03/04/815510304.db2.gz RSQYSWARAIGMCR-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419938622 812307065 /nfs/dbraw/zinc/30/70/65/812307065.db2.gz XJUBTSNTSHEPCQ-QGZVFWFLSA-N 0 3 370.409 1.412 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCN1CCN(C)CC1 ZINC000843767016 819413240 /nfs/dbraw/zinc/41/32/40/819413240.db2.gz WKWQVGPNUGLUTG-UHFFFAOYSA-N 0 3 352.410 1.800 20 5 FDBDHN COc1c([O-])ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000895457850 822608515 /nfs/dbraw/zinc/60/85/15/822608515.db2.gz UPTJUHSYDTWSME-CQSZACIVSA-N 0 3 351.403 1.340 20 5 FDBDHN COc1c([O-])ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000895457850 822608518 /nfs/dbraw/zinc/60/85/18/822608518.db2.gz UPTJUHSYDTWSME-CQSZACIVSA-N 0 3 351.403 1.340 20 5 FDBDHN Cn1ccnc1[C@H](NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000449384624 829476360 /nfs/dbraw/zinc/47/63/60/829476360.db2.gz CELNZGNCJPLERD-ZWKOTPCHSA-N 0 3 373.457 1.854 20 5 FDBDHN Cn1ccnc1[C@@H](NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000449387412 829479309 /nfs/dbraw/zinc/47/93/09/829479309.db2.gz LNIMGKNUXUNRBN-MSOLQXFVSA-N 0 3 373.457 1.854 20 5 FDBDHN CCN1CCC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000454656526 835623966 /nfs/dbraw/zinc/62/39/66/835623966.db2.gz ZERVJQUQPFZEMP-AWEZNQCLSA-N 0 3 362.434 1.306 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)C[C@@H]21 ZINC000459968493 839156196 /nfs/dbraw/zinc/15/61/96/839156196.db2.gz FEWYBWBNSQYAIO-PBHICJAKSA-N 0 3 372.425 1.248 20 5 FDBDHN COc1c(C(=O)NC(C)(C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476734317 842097505 /nfs/dbraw/zinc/09/75/05/842097505.db2.gz VRBVLKWKNSUXDW-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN CNc1nc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455891139 842377273 /nfs/dbraw/zinc/37/72/73/842377273.db2.gz GGUZCJHJIPDRCY-BETUJISGSA-N 0 3 365.434 1.651 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)[C@@H]2C1 ZINC000899137904 845856854 /nfs/dbraw/zinc/85/68/54/845856854.db2.gz DZGVVIGZVZIRJU-NVXWUHKLSA-N 0 3 355.398 1.616 20 5 FDBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000899663384 846558958 /nfs/dbraw/zinc/55/89/58/846558958.db2.gz CMXSWQMHHRHEHT-HUUCEWRRSA-N 0 3 350.444 1.823 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488918221 858926634 /nfs/dbraw/zinc/92/66/34/858926634.db2.gz PSJOQCFICQVDHE-CYBMUJFWSA-N 0 3 365.386 1.506 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000597708060 864502532 /nfs/dbraw/zinc/50/25/32/864502532.db2.gz HBTAMTITMLNLPB-RDJZCZTQSA-N 0 3 372.425 1.424 20 5 FDBDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428793087 868008604 /nfs/dbraw/zinc/00/86/04/868008604.db2.gz JTOVCFKDSUGFJX-IBGZPJMESA-N 0 3 371.393 1.573 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282102376 870939816 /nfs/dbraw/zinc/93/98/16/870939816.db2.gz PJXRBSYBEDREGP-WMLDXEAASA-N 0 3 374.445 1.565 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000527261551 873381856 /nfs/dbraw/zinc/38/18/56/873381856.db2.gz HQZGKBXTMJRCGJ-UHFFFAOYSA-N 0 3 361.406 1.574 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000918351433 884349678 /nfs/dbraw/zinc/34/96/78/884349678.db2.gz JVUNXHFMVMFPJJ-IYBDPMFKSA-N 0 3 369.443 1.566 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000918353009 884355669 /nfs/dbraw/zinc/35/56/69/884355669.db2.gz ZHEHDAQTQZCGOH-HZPDHXFCSA-N 0 3 353.444 1.866 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000918465651 884514873 /nfs/dbraw/zinc/51/48/73/884514873.db2.gz QRUDMROXIPEMLQ-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN CC(C)c1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643972 884605724 /nfs/dbraw/zinc/60/57/24/884605724.db2.gz WLDWZGCGOPOOMB-FDYHWXHSSA-N 0 3 351.407 1.375 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766143324 885062712 /nfs/dbraw/zinc/06/27/12/885062712.db2.gz BKNUWOVXFHIDHK-MRXNPFEDSA-N 0 3 366.849 1.987 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498512444 885130060 /nfs/dbraw/zinc/13/00/60/885130060.db2.gz SXUXTFDUQQTWMP-LBPRGKRZSA-N 0 3 360.418 1.227 20 5 FDBDHN CCn1ccnc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034817068 885152485 /nfs/dbraw/zinc/15/24/85/885152485.db2.gz YNRQJINTYMIUHW-HZPDHXFCSA-N 0 3 357.414 1.474 20 5 FDBDHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000920450093 886942721 /nfs/dbraw/zinc/94/27/21/886942721.db2.gz GHKXUJOEKGECKP-LSDHHAIUSA-N 0 3 363.462 1.839 20 5 FDBDHN CC(C)c1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997772252 909662840 /nfs/dbraw/zinc/66/28/40/909662840.db2.gz MTIZMTSIXWFSCW-CHWSQXEVSA-N 0 3 351.407 1.186 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272963632 910416980 /nfs/dbraw/zinc/41/69/80/910416980.db2.gz RYJCNSZHALBSKL-XJKSGUPXSA-N 0 3 360.414 1.186 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)cc2)CC1 ZINC000743608291 926398945 /nfs/dbraw/zinc/39/89/45/926398945.db2.gz URVSGIYUZFTSJP-UHFFFAOYSA-N 0 3 372.429 1.880 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743979003 926534426 /nfs/dbraw/zinc/53/44/26/926534426.db2.gz QMNSTTUNFYHGGA-NSHDSACASA-N 0 3 350.375 1.142 20 5 FDBDHN CCc1cc(N(C)S(=O)(=O)CCN)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156239240 928212748 /nfs/dbraw/zinc/21/27/48/928212748.db2.gz TYOGZUXWVGUGDL-UHFFFAOYSA-N 0 3 365.415 1.339 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000766760962 928784905 /nfs/dbraw/zinc/78/49/05/928784905.db2.gz GESJXSXMXYLUSW-UHFFFAOYSA-N 0 3 358.402 1.723 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000822879181 945281307 /nfs/dbraw/zinc/28/13/07/945281307.db2.gz QLQVESYDWOGXKU-HUUCEWRRSA-N 0 3 371.397 1.374 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001130897761 940300935 /nfs/dbraw/zinc/30/09/35/940300935.db2.gz CEWACKMZMJHXDZ-GFCCVEGCSA-N 0 3 359.390 1.173 20 5 FDBDHN CC(C)S(=O)(=O)CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000808727363 940567475 /nfs/dbraw/zinc/56/74/75/940567475.db2.gz YQUMYFVZTBYZDB-LBPRGKRZSA-N 0 3 357.432 1.725 20 5 FDBDHN COc1ccc(-n2c(C)nnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100427 941325524 /nfs/dbraw/zinc/32/55/24/941325524.db2.gz SBNPIORZPZLKJC-SNVBAGLBSA-N 0 3 366.399 1.885 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[N+](=O)[O-] ZINC000813100909 941325656 /nfs/dbraw/zinc/32/56/56/941325656.db2.gz YDEVUEYWOGUGMS-LLVKDONJSA-N 0 3 359.404 1.022 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[N+](=O)[O-] ZINC000813101665 941326055 /nfs/dbraw/zinc/32/60/55/941326055.db2.gz GOVCOUSXVSUVDO-LLVKDONJSA-N 0 3 368.367 1.580 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813104670 941326285 /nfs/dbraw/zinc/32/62/85/941326285.db2.gz FSSXBPXFMZXOLW-FZMZJTMJSA-N 0 3 365.342 1.716 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)[N+](=O)[O-] ZINC000813108537 941334349 /nfs/dbraw/zinc/33/43/49/941334349.db2.gz GZPBMAJGIKMMLN-RYUDHWBXSA-N 0 3 373.431 1.268 20 5 FDBDHN COc1cc(OC)cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108163 941334360 /nfs/dbraw/zinc/33/43/60/941334360.db2.gz BLTVSVICQJSITR-QWRGUYRKSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)[N+](=O)[O-] ZINC000813109146 941334681 /nfs/dbraw/zinc/33/46/81/941334681.db2.gz ONBUGLBAKKGGAJ-NSHDSACASA-N 0 3 356.400 1.730 20 5 FDBDHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113764 941336155 /nfs/dbraw/zinc/33/61/55/941336155.db2.gz UXWLURZNNFDBHT-RISCZKNCSA-N 0 3 366.370 1.517 20 5 FDBDHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000813630228 941417695 /nfs/dbraw/zinc/41/76/95/941417695.db2.gz JKUDPBGTDDYKEY-KBPBESRZSA-N 0 3 362.430 1.992 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)[C@@H]2C1 ZINC000816950277 942397373 /nfs/dbraw/zinc/39/73/73/942397373.db2.gz PCJUUBMZOJNPFN-SUMWQHHRSA-N 0 3 360.414 1.208 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000817404871 942765145 /nfs/dbraw/zinc/76/51/45/942765145.db2.gz SIQJZEXQTXLHJP-SNVBAGLBSA-N 0 3 354.794 1.739 20 5 FDBDHN CNS(=O)(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818953496 943362262 /nfs/dbraw/zinc/36/22/62/943362262.db2.gz IOTGQQUIJCQCOR-INIZCTEOSA-N 0 3 365.411 1.326 20 5 FDBDHN CNS(=O)(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818953497 943362702 /nfs/dbraw/zinc/36/27/02/943362702.db2.gz IOTGQQUIJCQCOR-MRXNPFEDSA-N 0 3 365.411 1.326 20 5 FDBDHN O=C1[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccn1 ZINC000819224165 943494982 /nfs/dbraw/zinc/49/49/82/943494982.db2.gz XVJIIUQIVJEMTP-MSOLQXFVSA-N 0 3 370.409 1.804 20 5 FDBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1S(N)(=O)=O ZINC000819268206 943519577 /nfs/dbraw/zinc/51/95/77/943519577.db2.gz PQFINJCGMJXSHX-HNNXBMFYSA-N 0 3 365.411 1.374 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCOCC(F)(F)C(F)F)CC1 ZINC001195761097 971192584 /nfs/dbraw/zinc/19/25/84/971192584.db2.gz IZJLWYUDJOYPDQ-GHMZBOCLSA-N 0 3 371.331 1.103 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825223765 947060190 /nfs/dbraw/zinc/06/01/90/947060190.db2.gz ODCNWCJZUIDEKA-CVEARBPZSA-N 0 3 362.430 1.177 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844032103 947623404 /nfs/dbraw/zinc/62/34/04/947623404.db2.gz ALNWRNYBQKAIHH-YPDDLIOESA-N 0 3 360.414 1.577 20 5 FDBDHN COC(=O)N[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001197659077 972341363 /nfs/dbraw/zinc/34/13/63/972341363.db2.gz GWCKEQKJUIIGHS-LBPRGKRZSA-N 0 3 350.375 1.662 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CN(c3cnccn3)C2)c1F ZINC001173191168 961957994 /nfs/dbraw/zinc/95/79/94/961957994.db2.gz JVIOPYJHDRJSLF-LLVKDONJSA-N 0 3 361.377 1.942 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC001174890739 962972037 /nfs/dbraw/zinc/97/20/37/962972037.db2.gz KJBFZUJYWTVCJU-KRWDZBQOSA-N 0 3 358.398 1.645 20 5 FDBDHN CN(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCOCCO ZINC001187422162 965321843 /nfs/dbraw/zinc/32/18/43/965321843.db2.gz DGPOBOMMGNVUTC-UHFFFAOYSA-N 0 3 351.325 1.966 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852569073 967429602 /nfs/dbraw/zinc/42/96/02/967429602.db2.gz AZEKOFLJSIADJV-UHFFFAOYSA-N 0 3 356.354 1.693 20 5 FDBDHN COC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852767608 967593551 /nfs/dbraw/zinc/59/35/51/967593551.db2.gz HYVUMLWAGVOJGG-UHFFFAOYSA-N 0 3 350.375 1.744 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854644105 969049365 /nfs/dbraw/zinc/04/93/65/969049365.db2.gz FGIVXLCURVULHD-RVDMUPIBSA-N 0 3 358.442 1.704 20 5 FDBDHN O=[N+]([O-])c1cc(CO)c(N2CCCN(C[C@H]3CCCO3)CC2)cc1F ZINC000865435482 974295728 /nfs/dbraw/zinc/29/57/28/974295728.db2.gz JKAKROHITMJPPS-CQSZACIVSA-N 0 3 353.394 1.917 20 5 FDBDHN Cn1ccnc1[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866412390 975622002 /nfs/dbraw/zinc/62/20/02/975622002.db2.gz IDHUKCCUUPBPGL-RDJZCZTQSA-N 0 3 373.457 1.853 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867478548 976216100 /nfs/dbraw/zinc/21/61/00/976216100.db2.gz JAMXZTVIFYVVDH-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849508769 977704738 /nfs/dbraw/zinc/70/47/38/977704738.db2.gz XCZKPJSHOXDPBI-IAGOWNOFSA-N 0 3 357.414 1.680 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861715597 983863560 /nfs/dbraw/zinc/86/35/60/983863560.db2.gz NYHHGWDQSPSPOC-RYUDHWBXSA-N 0 3 371.796 1.597 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000294249880 988359069 /nfs/dbraw/zinc/35/90/69/988359069.db2.gz XYWLKKRLAWJMCW-UHFFFAOYSA-N 0 3 361.358 1.183 20 5 FDBDHN C[C@H](N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)O ZINC000295182318 988626280 /nfs/dbraw/zinc/62/62/80/988626280.db2.gz PVYIFZVYUOOXEU-AWEZNQCLSA-N 0 3 364.446 1.335 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)N(C)C ZINC000298250502 989989843 /nfs/dbraw/zinc/98/98/43/989989843.db2.gz UBDFHACQPLCJLT-UHFFFAOYSA-N 0 3 366.418 1.732 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@@H]1N1CCN(C)CC1 ZINC000371361213 990382794 /nfs/dbraw/zinc/38/27/94/990382794.db2.gz QVAJKDNFORNLID-HIFRSBDPSA-N 0 3 361.446 1.275 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000825770998 991028122 /nfs/dbraw/zinc/02/81/22/991028122.db2.gz PCNKMVYDNOMXNM-SNVBAGLBSA-N 0 3 369.219 1.966 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000372895713 991651729 /nfs/dbraw/zinc/65/17/29/991651729.db2.gz PKHVNNWBQRJMLX-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000373244711 992051139 /nfs/dbraw/zinc/05/11/39/992051139.db2.gz RLIXXHGLXNGLDV-AWEZNQCLSA-N 0 3 363.414 1.685 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000876470458 992626671 /nfs/dbraw/zinc/62/66/71/992626671.db2.gz UNBNAZAJUZJDRS-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000876476662 992651386 /nfs/dbraw/zinc/65/13/86/992651386.db2.gz ZGVWAHGIPATBBI-QGZVFWFLSA-N 0 3 369.393 1.082 20 5 FDBDHN CC(C)Oc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000413060702 993068257 /nfs/dbraw/zinc/06/82/57/993068257.db2.gz OCWDGNBLUXMWTK-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000877574002 993349794 /nfs/dbraw/zinc/34/97/94/993349794.db2.gz WSLHZDXWNKZFBN-MRXNPFEDSA-N 0 3 360.458 1.998 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467715332 993359829 /nfs/dbraw/zinc/35/98/29/993359829.db2.gz MFYPRCVCIVDQMQ-YVEFUNNKSA-N 0 3 355.398 1.993 20 5 FDBDHN O=C([N-]C[C@@H]1C[NH2+]CCC1(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000887403955 997239156 /nfs/dbraw/zinc/23/91/56/997239156.db2.gz OPULOAVWYJQWQY-VIFPVBQESA-N 0 3 365.283 1.927 20 5 FDBDHN COc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000889768146 998626080 /nfs/dbraw/zinc/62/60/80/998626080.db2.gz DBZXWOWFXVRFPP-HUUCEWRRSA-N 0 3 363.414 1.204 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889781377 998654551 /nfs/dbraw/zinc/65/45/51/998654551.db2.gz MZFSOZRBMUGEDE-IAGOWNOFSA-N 0 3 362.430 1.454 20 5 FDBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267443660 999337119 /nfs/dbraw/zinc/33/71/19/999337119.db2.gz POGYKUXRPSMWMM-ZFWWWQNUSA-N 0 3 366.414 1.998 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291849659 1000198060 /nfs/dbraw/zinc/19/80/60/1000198060.db2.gz OYNNJTGHTNEEHT-YLJYHZDGSA-N 0 3 372.421 1.971 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948387440 1002293322 /nfs/dbraw/zinc/29/33/22/1002293322.db2.gz SRCIOJIOYOXSII-CHWSQXEVSA-N 0 3 363.418 1.228 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000932471932 1004976456 /nfs/dbraw/zinc/97/64/56/1004976456.db2.gz AKTKMUUYWRTDNO-UHFFFAOYSA-N 0 3 366.437 1.762 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000932841338 1005210469 /nfs/dbraw/zinc/21/04/69/1005210469.db2.gz JIKSJEHDUYGKEW-ZDUSSCGKSA-N 0 3 353.806 1.711 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000935982000 1006202397 /nfs/dbraw/zinc/20/23/97/1006202397.db2.gz AXUHYJVGXPGGOR-QWHCGFSZSA-N 0 3 367.833 1.848 20 5 FDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000192789106 178132609 /nfs/dbraw/zinc/13/26/09/178132609.db2.gz DIQDCYJGTPSVNG-UHFFFAOYSA-N 0 3 361.402 1.790 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194036591 178195549 /nfs/dbraw/zinc/19/55/49/178195549.db2.gz WEUIQNYQMHHCJS-ZDUSSCGKSA-N 0 3 350.375 1.657 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000264175927 179040988 /nfs/dbraw/zinc/04/09/88/179040988.db2.gz LTHVTVKBGMOODU-UHFFFAOYSA-N 0 3 353.375 1.032 20 5 FDBDHN COc1cc(CCNC(=O)NCCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000264917408 179239565 /nfs/dbraw/zinc/23/95/65/179239565.db2.gz YHVWRTWKXTWSJS-UHFFFAOYSA-N 0 3 366.418 1.548 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OCCO)C1 ZINC000265256740 179323163 /nfs/dbraw/zinc/32/31/63/179323163.db2.gz XKKBYXBMXMXKKI-AWEZNQCLSA-N 0 3 367.402 1.405 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000265410459 179369175 /nfs/dbraw/zinc/36/91/75/179369175.db2.gz XBXJGQSJNILDEB-SNVBAGLBSA-N 0 3 350.375 1.141 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@H](C)O1 ZINC000524224038 539636898 /nfs/dbraw/zinc/63/68/98/539636898.db2.gz RYDAXYSMSSHPQF-KBPBESRZSA-N 0 3 364.446 1.895 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000527475053 539704165 /nfs/dbraw/zinc/70/41/65/539704165.db2.gz JCVWVRBMTLWKPT-HXUWFJFHSA-N 0 3 369.421 1.891 20 5 FDBDHN COC(=O)c1cc(N2CCN(C3CCOCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000268499499 180097213 /nfs/dbraw/zinc/09/72/13/180097213.db2.gz ROAVWVRXXUXUMM-UHFFFAOYSA-N 0 3 363.414 1.991 20 5 FDBDHN COc1ccc(CNC(=O)c2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000272703788 180785308 /nfs/dbraw/zinc/78/53/08/180785308.db2.gz SUTDPXVCMVURIZ-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397230 540159309 /nfs/dbraw/zinc/15/93/09/540159309.db2.gz IHSMNPODZBMRJG-KRWDZBQOSA-N 0 3 368.393 1.953 20 5 FDBDHN O=C(NCCNc1ccncc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533811090 540289755 /nfs/dbraw/zinc/28/97/55/540289755.db2.gz URYLLFDLWNOJOJ-UHFFFAOYSA-N 0 3 352.354 1.439 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000534916409 540426331 /nfs/dbraw/zinc/42/63/31/540426331.db2.gz ACPKETVXYFAEOE-NVXWUHKLSA-N 0 3 370.409 1.603 20 5 FDBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000536484379 540602056 /nfs/dbraw/zinc/60/20/56/540602056.db2.gz CNTHVLQQMXWILC-UHFFFAOYSA-N 0 3 355.416 1.541 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1=CCN(C)CC1 ZINC000537241605 540705109 /nfs/dbraw/zinc/70/51/09/540705109.db2.gz CQWVDFMKWNQAJZ-ZDUSSCGKSA-N 0 3 350.423 1.205 20 5 FDBDHN CCO[C@@H]1C[C@](CO)(NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000275593620 181362548 /nfs/dbraw/zinc/36/25/48/181362548.db2.gz QZZGNAVMZFPMAV-FDQGKXFDSA-N 0 3 368.430 1.490 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000543994658 541698101 /nfs/dbraw/zinc/69/81/01/541698101.db2.gz BOKOUQGIUZFHRI-YPMHNXCESA-N 0 3 355.416 1.479 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000545156697 541884455 /nfs/dbraw/zinc/88/44/55/541884455.db2.gz AFACXJYRHSYPHO-ZDUSSCGKSA-N 0 3 358.192 1.154 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286191982 183010427 /nfs/dbraw/zinc/01/04/27/183010427.db2.gz BDVFBMUXMRZWLU-YPMHNXCESA-N 0 3 354.432 1.305 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286202767 183013083 /nfs/dbraw/zinc/01/30/83/183013083.db2.gz AQGFPSIAKZDTIT-MRXNPFEDSA-N 0 3 368.384 1.611 20 5 FDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286586602 183103799 /nfs/dbraw/zinc/10/37/99/183103799.db2.gz GBCIJXDYCNPKJD-CZUORRHYSA-N 0 3 353.444 1.983 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286610593 183109178 /nfs/dbraw/zinc/10/91/78/183109178.db2.gz XXFRFHFGWIURDW-CQSZACIVSA-N 0 3 359.386 1.339 20 5 FDBDHN COC(=O)c1cc(C)nc(NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000287623236 183338953 /nfs/dbraw/zinc/33/89/53/183338953.db2.gz GSCBHOGTZIVQOG-CYBMUJFWSA-N 0 3 366.418 1.998 20 5 FDBDHN C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295315320 184058677 /nfs/dbraw/zinc/05/86/77/184058677.db2.gz KQTSEFMTWZRDNV-CQSZACIVSA-N 0 3 374.441 1.657 20 5 FDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296094088 184129936 /nfs/dbraw/zinc/12/99/36/184129936.db2.gz DDVKGWFQMCRCTI-GJZGRUSLSA-N 0 3 354.794 1.471 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296791183 184200899 /nfs/dbraw/zinc/20/08/99/184200899.db2.gz QDXMRQMZVRTXPY-ZDUSSCGKSA-N 0 3 366.418 1.962 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000297136160 184237902 /nfs/dbraw/zinc/23/79/02/184237902.db2.gz XSGFCTXUQHQBDR-LLVKDONJSA-N 0 3 354.382 1.826 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297196913 184244290 /nfs/dbraw/zinc/24/42/90/184244290.db2.gz AZYBEFZOCTZCBP-UHFFFAOYSA-N 0 3 370.381 1.065 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000297210728 184246018 /nfs/dbraw/zinc/24/60/18/184246018.db2.gz BRTUOKGOXSETMW-LLVKDONJSA-N 0 3 350.350 1.287 20 5 FDBDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297229285 184247536 /nfs/dbraw/zinc/24/75/36/184247536.db2.gz COWCAALCWYOZHR-LBPRGKRZSA-N 0 3 366.393 1.924 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(C(N)=O)C(C)C ZINC000297727493 184317386 /nfs/dbraw/zinc/31/73/86/184317386.db2.gz SEUNESGLTMCECU-INIZCTEOSA-N 0 3 352.391 1.422 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC000187267424 177794896 /nfs/dbraw/zinc/79/48/96/177794896.db2.gz NMBWSGQWVPPXFY-YOEHRIQHSA-N 0 3 350.419 1.655 20 5 FDBDHN O=Cc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000068323520 172018385 /nfs/dbraw/zinc/01/83/85/172018385.db2.gz LNJKOTQDBZJFAD-OAHLLOKOSA-N 0 3 361.398 1.873 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068862380 172023641 /nfs/dbraw/zinc/02/36/41/172023641.db2.gz NVMQDSUYXSXCKW-CYBMUJFWSA-N 0 3 351.403 1.830 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000068862264 172023699 /nfs/dbraw/zinc/02/36/99/172023699.db2.gz JFDVYCNLMYMPBX-CYBMUJFWSA-N 0 3 351.403 1.973 20 5 FDBDHN COc1ccccc1C[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675412 172095060 /nfs/dbraw/zinc/09/50/60/172095060.db2.gz PQCZOBQRJSORPT-RDJZCZTQSA-N 0 3 360.414 1.868 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CN1CCN(C)CC1 ZINC000081765087 172195436 /nfs/dbraw/zinc/19/54/36/172195436.db2.gz OHAZBUWGGLLJSH-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN CC[C@H](CO)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093739722 172319445 /nfs/dbraw/zinc/31/94/45/172319445.db2.gz SFJFNBDHTUOIRT-QGZVFWFLSA-N 0 3 373.457 1.884 20 5 FDBDHN CN(C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccccc1 ZINC000127467656 173077853 /nfs/dbraw/zinc/07/78/53/173077853.db2.gz ZYNOVTXDTXMVTG-HNNXBMFYSA-N 0 3 364.427 1.957 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150819239 173382650 /nfs/dbraw/zinc/38/26/50/173382650.db2.gz AKLQYLUBOHANRT-AAEUAGOBSA-N 0 3 357.432 1.564 20 5 FDBDHN CN(C)CCN(Cc1ccco1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153428811 173470087 /nfs/dbraw/zinc/47/00/87/173470087.db2.gz AVMXGKBQZIEDDR-UHFFFAOYSA-N 0 3 374.397 1.508 20 5 FDBDHN CN(C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1)C(=O)OC(C)(C)C ZINC000176230817 174060416 /nfs/dbraw/zinc/06/04/16/174060416.db2.gz QMWKAYSCRKTACC-CYBMUJFWSA-N 0 3 353.423 1.980 20 5 FDBDHN Nc1c(C(=O)NCC2(N3CCCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000178198693 174176867 /nfs/dbraw/zinc/17/68/67/174176867.db2.gz OEFBZNIJYQLUMB-UHFFFAOYSA-N 0 3 362.430 1.942 20 5 FDBDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181018654 174201722 /nfs/dbraw/zinc/20/17/22/174201722.db2.gz ZGESSODQJLCGNK-LLVKDONJSA-N 0 3 353.404 1.050 20 5 FDBDHN CCCNC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181515729 174229556 /nfs/dbraw/zinc/22/95/56/174229556.db2.gz QVUYZBCNRNHKLE-HNNXBMFYSA-N 0 3 365.430 1.573 20 5 FDBDHN O=C1CCCN1C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000179549734 258353573 /nfs/dbraw/zinc/35/35/73/258353573.db2.gz FNFQFQSHOLMUFI-KRWDZBQOSA-N 0 3 370.409 1.710 20 5 FDBDHN COCCN1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173642577 258306047 /nfs/dbraw/zinc/30/60/47/258306047.db2.gz BOQFAZBFMRDMLX-CYBMUJFWSA-N 0 3 350.419 1.622 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000281467971 258661134 /nfs/dbraw/zinc/66/11/34/258661134.db2.gz IXFOPUADJGDBBV-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN CNc1nccc(C(=O)NCc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000557542187 544305434 /nfs/dbraw/zinc/30/54/34/544305434.db2.gz DCBGXCUCKVMLFJ-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCS1(=O)=O ZINC000558328268 544411100 /nfs/dbraw/zinc/41/11/00/544411100.db2.gz RCJOXXNXIQXFRI-SWLSCSKDSA-N 0 3 369.443 1.869 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000559412840 544676608 /nfs/dbraw/zinc/67/66/08/544676608.db2.gz XAYWGKTTYAUTRV-UHFFFAOYSA-N 0 3 360.414 1.080 20 5 FDBDHN CNC(=O)c1ccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301249479 259024201 /nfs/dbraw/zinc/02/42/01/259024201.db2.gz BRKXWRJXGALWKB-OAHLLOKOSA-N 0 3 361.446 1.171 20 5 FDBDHN CN1CCC[C@@H](N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)C1 ZINC000301275806 259024520 /nfs/dbraw/zinc/02/45/20/259024520.db2.gz IYZSLXARPIAANJ-GFCCVEGCSA-N 0 3 350.448 1.520 20 5 FDBDHN CC1CCN(C[C@@H](O)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301520550 259029194 /nfs/dbraw/zinc/02/91/94/259029194.db2.gz FIIZKDBLIAETNR-LBPRGKRZSA-N 0 3 361.402 1.748 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000301914470 259035832 /nfs/dbraw/zinc/03/58/32/259035832.db2.gz CXSUWUJKXVDDFB-ZDUSSCGKSA-N 0 3 366.393 1.661 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000332450173 259267838 /nfs/dbraw/zinc/26/78/38/259267838.db2.gz TXHPGYXQTGPHBI-ZNMIVQPWSA-N 0 3 362.430 1.620 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000366626032 259953903 /nfs/dbraw/zinc/95/39/03/259953903.db2.gz APOWXGIDSWAWDQ-KLZCAUPSSA-N 0 3 360.414 1.911 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000367979919 260118488 /nfs/dbraw/zinc/11/84/88/260118488.db2.gz ZPAANWXJKFGIRN-KGLIPLIRSA-N 0 3 365.434 1.980 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000367979921 260118852 /nfs/dbraw/zinc/11/88/52/260118852.db2.gz ZPAANWXJKFGIRN-UONOGXRCSA-N 0 3 365.434 1.980 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369354293 260346905 /nfs/dbraw/zinc/34/69/05/260346905.db2.gz KXKRGPFMIWTUKA-YOCVDRLZSA-N 0 3 358.442 1.846 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000373586141 261022514 /nfs/dbraw/zinc/02/25/14/261022514.db2.gz QKRWEPLDLBCEMO-AEFFLSMTSA-N 0 3 358.398 1.674 20 5 FDBDHN CC(C)c1nccn1C[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374144912 261084564 /nfs/dbraw/zinc/08/45/64/261084564.db2.gz OSNXCIPOBXJFGP-ZBFHGGJFSA-N 0 3 362.434 1.637 20 5 FDBDHN CC(C)c1nccc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000374426274 261130148 /nfs/dbraw/zinc/13/01/48/261130148.db2.gz CZCVUDMMTRAEIU-MRXNPFEDSA-N 0 3 374.445 1.945 20 5 FDBDHN Cc1nn(C)c(N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000374934300 261229549 /nfs/dbraw/zinc/22/95/49/261229549.db2.gz ZOBZDHDIIZOVDW-UHFFFAOYSA-N 0 3 350.467 1.491 20 5 FDBDHN CN1CCC(Oc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000375005234 261246338 /nfs/dbraw/zinc/24/63/38/261246338.db2.gz NGFPLDVWWNWKOC-UHFFFAOYSA-N 0 3 374.401 1.688 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000375036952 261253660 /nfs/dbraw/zinc/25/36/60/261253660.db2.gz ILVGRBYPVZFXAK-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375354788 261321269 /nfs/dbraw/zinc/32/12/69/261321269.db2.gz NWIOJCOQRGRLSV-CZUORRHYSA-N 0 3 366.805 1.834 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000407990033 262066230 /nfs/dbraw/zinc/06/62/30/262066230.db2.gz KDCBTFCZDNQDNZ-CYBMUJFWSA-N 0 3 371.463 1.450 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000270467150 674214289 /nfs/dbraw/zinc/21/42/89/674214289.db2.gz LLOILORHUBGSAY-IUODEOHRSA-N 0 3 369.443 1.730 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069500263 521892697 /nfs/dbraw/zinc/89/26/97/521892697.db2.gz HVXWOSHVMSHYGR-CQSZACIVSA-N 0 3 351.403 1.373 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000069504725 521895967 /nfs/dbraw/zinc/89/59/67/521895967.db2.gz SJVSNINSGGLECD-QGZVFWFLSA-N 0 3 373.413 1.621 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046940260 522393190 /nfs/dbraw/zinc/39/31/90/522393190.db2.gz BGKVSVAJCCEZEL-UHFFFAOYSA-N 0 3 371.441 1.990 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073092824 522465952 /nfs/dbraw/zinc/46/59/52/522465952.db2.gz VMXCWLKHPBYYGU-AWEZNQCLSA-N 0 3 363.414 1.899 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764086 522830932 /nfs/dbraw/zinc/83/09/32/522830932.db2.gz YUSBDACBCMPTOH-INIZCTEOSA-N 0 3 364.446 1.529 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000067305952 523385547 /nfs/dbraw/zinc/38/55/47/523385547.db2.gz WRNSELIUMPKHNH-INIZCTEOSA-N 0 3 370.413 1.876 20 5 FDBDHN O=C(CCN1CCC(N2CCNC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053283878 523390184 /nfs/dbraw/zinc/39/01/84/523390184.db2.gz YDLZAKRDLHQWMV-UHFFFAOYSA-N 0 3 361.402 1.413 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780134 523463001 /nfs/dbraw/zinc/46/30/01/523463001.db2.gz RGYQEXSYZRPNSZ-AWEZNQCLSA-N 0 3 351.451 1.791 20 5 FDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)Cc1ccccc1 ZINC000053582848 523470803 /nfs/dbraw/zinc/47/08/03/523470803.db2.gz IOGTVDHJJMXASE-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN Cc1c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068498659 523803685 /nfs/dbraw/zinc/80/36/85/523803685.db2.gz UARKSCPXETULLA-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080037857 523824131 /nfs/dbraw/zinc/82/41/31/523824131.db2.gz OJWDHSXZTNKENI-CQSZACIVSA-N 0 3 350.419 1.258 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCN(C)CC1 ZINC000080879888 523910981 /nfs/dbraw/zinc/91/09/81/523910981.db2.gz UVSUDPQBSBWMTP-LBPRGKRZSA-N 0 3 353.444 1.648 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000111587349 524304625 /nfs/dbraw/zinc/30/46/25/524304625.db2.gz DKXNCJFCGAIFAZ-UHFFFAOYSA-N 0 3 370.369 1.447 20 5 FDBDHN CC(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000087329755 524423756 /nfs/dbraw/zinc/42/37/56/524423756.db2.gz ROTPROGEFCOACU-SFHVURJKSA-N 0 3 362.474 1.916 20 5 FDBDHN O=C(COc1ccccc1CNCCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000151287826 524547479 /nfs/dbraw/zinc/54/74/79/524547479.db2.gz CMSWYTKOECMHNW-UHFFFAOYSA-N 0 3 373.413 1.582 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000174685304 524691125 /nfs/dbraw/zinc/69/11/25/524691125.db2.gz XZSYFABKXTWDDR-XJKSGUPXSA-N 0 3 370.413 1.793 20 5 FDBDHN Cc1sc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000123658758 524801065 /nfs/dbraw/zinc/80/10/65/524801065.db2.gz ISEVVLBKSWSUIJ-UHFFFAOYSA-N 0 3 364.493 1.079 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124341048 524961310 /nfs/dbraw/zinc/96/13/10/524961310.db2.gz PXCWWAIRWWPCFL-UHFFFAOYSA-N 0 3 354.794 1.741 20 5 FDBDHN O=C([C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000153714851 525294810 /nfs/dbraw/zinc/29/48/10/525294810.db2.gz YPOCHUUANCESPB-DOTOQJQBSA-N 0 3 363.414 1.199 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)C[S@@](C)=O ZINC000126764894 525350504 /nfs/dbraw/zinc/35/05/04/525350504.db2.gz BZRUHGSJGCGRSE-BUBHHJDNSA-N 0 3 357.432 1.631 20 5 FDBDHN C[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000163419280 525405803 /nfs/dbraw/zinc/40/58/03/525405803.db2.gz AQIIGVHICIJGFA-SFHVURJKSA-N 0 3 357.414 1.962 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000118121216 525464481 /nfs/dbraw/zinc/46/44/81/525464481.db2.gz PUHRGUWEBZVIPD-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN CC(C)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180073453 525659088 /nfs/dbraw/zinc/65/90/88/525659088.db2.gz INVBVUPHKFNKLN-MRXNPFEDSA-N 0 3 351.403 1.447 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000119385956 525727612 /nfs/dbraw/zinc/72/76/12/525727612.db2.gz WMGNHNKXGNIPCL-GXTWGEPZSA-N 0 3 362.430 1.949 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000119735127 525843427 /nfs/dbraw/zinc/84/34/27/525843427.db2.gz BKJQKKDHRUSNGN-YOEHRIQHSA-N 0 3 370.409 1.393 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119872786 525891337 /nfs/dbraw/zinc/89/13/37/525891337.db2.gz MBNQRKUQYICAHC-CJNGLKHVSA-N 0 3 360.414 1.232 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108449770 525969354 /nfs/dbraw/zinc/96/93/54/525969354.db2.gz MVRLEYDZYJBOFY-SNVBAGLBSA-N 0 3 354.794 1.188 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120468657 526074106 /nfs/dbraw/zinc/07/41/06/526074106.db2.gz RXCWXGZONZIOOY-JSGCOSHPSA-N 0 3 351.403 1.781 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000109312974 526107493 /nfs/dbraw/zinc/10/74/93/526107493.db2.gz FFYZVYYLLPAGAZ-INIZCTEOSA-N 0 3 372.429 1.699 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184394928 536145551 /nfs/dbraw/zinc/14/55/51/536145551.db2.gz RINMCAHPBQOADO-CYBMUJFWSA-N 0 3 368.865 1.933 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000184811778 536185365 /nfs/dbraw/zinc/18/53/65/536185365.db2.gz DHCRNEQSAYTUKU-INIZCTEOSA-N 0 3 363.414 1.863 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185503354 536210309 /nfs/dbraw/zinc/21/03/09/536210309.db2.gz YYNOYIPJWFUAIB-UHFFFAOYSA-N 0 3 361.377 1.915 20 5 FDBDHN CCc1nn(C)c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164239 536227581 /nfs/dbraw/zinc/22/75/81/536227581.db2.gz JOTXNODYAMQCLM-IBGZPJMESA-N 0 3 373.457 1.964 20 5 FDBDHN COc1ccc(OCCN2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000186206470 536228623 /nfs/dbraw/zinc/22/86/23/536228623.db2.gz RZHOCFFONOJCNJ-UHFFFAOYSA-N 0 3 361.402 1.986 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC000187267405 536259486 /nfs/dbraw/zinc/25/94/86/536259486.db2.gz NMBWSGQWVPPXFY-PBHICJAKSA-N 0 3 350.419 1.655 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188057839 536281556 /nfs/dbraw/zinc/28/15/56/536281556.db2.gz VGOZRQJHWOAHBF-CYBMUJFWSA-N 0 3 362.430 1.656 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188183692 536285123 /nfs/dbraw/zinc/28/51/23/536285123.db2.gz HCZSRRFYYAHZMK-KRWDZBQOSA-N 0 3 359.386 1.027 20 5 FDBDHN Cc1c(C(=O)NC[C@]2(N(C)C)CCSC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267111493 536955760 /nfs/dbraw/zinc/95/57/60/536955760.db2.gz NLYYJUJTNLDZHS-OAHLLOKOSA-N 0 3 368.415 1.979 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000246445840 536956289 /nfs/dbraw/zinc/95/62/89/536956289.db2.gz DXEQUCMNHIRLHP-YUELXQCFSA-N 0 3 366.443 1.802 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000246626759 536993018 /nfs/dbraw/zinc/99/30/18/536993018.db2.gz ALNRVHZBYRIFAX-QZTJIDSGSA-N 0 3 360.414 1.833 20 5 FDBDHN Cc1nn(C)c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267992165 537006230 /nfs/dbraw/zinc/00/62/30/537006230.db2.gz KTVRLJXTEMJQCF-TXEJJXNPSA-N 0 3 353.423 1.256 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000247506994 537127165 /nfs/dbraw/zinc/12/71/65/537127165.db2.gz MFJWKQVHAMHZAX-DLBZAZTESA-N 0 3 365.430 1.131 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248436105 537181715 /nfs/dbraw/zinc/18/17/15/537181715.db2.gz ANLHDLFONZTCHA-DAYGRLMNSA-N 0 3 350.415 1.962 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000266008957 537183796 /nfs/dbraw/zinc/18/37/96/537183796.db2.gz RYKDEUACBBLXPZ-CZUORRHYSA-N 0 3 362.430 1.656 20 5 FDBDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248610110 537196596 /nfs/dbraw/zinc/19/65/96/537196596.db2.gz FRDKOAMMZSGTKV-DZGCQCFKSA-N 0 3 354.407 1.206 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000282208644 537261589 /nfs/dbraw/zinc/26/15/89/537261589.db2.gz DFMCCATVKKKNRO-BMIGLBTASA-N 0 3 350.375 1.046 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000293318634 537413637 /nfs/dbraw/zinc/41/36/37/537413637.db2.gz JSWUJIHLHRAEGI-GOSISDBHSA-N 0 3 360.414 1.786 20 5 FDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000293367946 537431799 /nfs/dbraw/zinc/43/17/99/537431799.db2.gz VDDWPYWGTCPBOT-INIZCTEOSA-N 0 3 366.418 1.682 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000276455009 537522864 /nfs/dbraw/zinc/52/28/64/537522864.db2.gz VBUOQMUUEIHELQ-IVMMDQJWSA-N 0 3 352.387 1.466 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000293633909 537544654 /nfs/dbraw/zinc/54/46/54/537544654.db2.gz FOXDTSGCLSOEBT-SFHVURJKSA-N 0 3 355.398 1.948 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000299381859 537559426 /nfs/dbraw/zinc/55/94/26/537559426.db2.gz XGJWFJFAUSURMM-UHFFFAOYSA-N 0 3 357.414 1.881 20 5 FDBDHN C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000291962909 537694006 /nfs/dbraw/zinc/69/40/06/537694006.db2.gz WQNDFVBPQQAJFK-WMLDXEAASA-N 0 3 370.409 1.536 20 5 FDBDHN CCS(=O)(=O)CCCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414353360 537787042 /nfs/dbraw/zinc/78/70/42/537787042.db2.gz YLXXHRNRYQTFQR-LBPRGKRZSA-N 0 3 357.432 1.726 20 5 FDBDHN CN(C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000416305937 537795627 /nfs/dbraw/zinc/79/56/27/537795627.db2.gz YSOMRLORDQVRDF-NSHDSACASA-N 0 3 350.375 1.003 20 5 FDBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000414465848 537818742 /nfs/dbraw/zinc/81/87/42/537818742.db2.gz UHDDMJZIMQKCIJ-JSGCOSHPSA-N 0 3 364.427 1.904 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994967 537929432 /nfs/dbraw/zinc/92/94/32/537929432.db2.gz OPBGYMREGZDIHW-SWLSCSKDSA-N 0 3 367.402 1.309 20 5 FDBDHN COCCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377484486 537966390 /nfs/dbraw/zinc/96/63/90/537966390.db2.gz GEEDJBCRAXHZDH-UHFFFAOYSA-N 0 3 351.403 1.544 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2nnc(N)cc2C1 ZINC000377558011 537976393 /nfs/dbraw/zinc/97/63/93/537976393.db2.gz CSDISELSGNNETJ-UHFFFAOYSA-N 0 3 356.386 1.662 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000450816782 538159724 /nfs/dbraw/zinc/15/97/24/538159724.db2.gz CSWRAWZMZFRFQY-QWRGUYRKSA-N 0 3 352.391 1.248 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000419970716 538169645 /nfs/dbraw/zinc/16/96/45/538169645.db2.gz CGCOIWKEYUJXAL-QGZVFWFLSA-N 0 3 361.402 1.213 20 5 FDBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CNCCO3)cc2[N+](=O)[O-])C1 ZINC000423996851 538207852 /nfs/dbraw/zinc/20/78/52/538207852.db2.gz XNGCRCDEMNAJFG-DZGCQCFKSA-N 0 3 362.430 1.549 20 5 FDBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2[N+](=O)[O-])C1 ZINC000423996853 538208813 /nfs/dbraw/zinc/20/88/13/538208813.db2.gz XNGCRCDEMNAJFG-HIFRSBDPSA-N 0 3 362.430 1.549 20 5 FDBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000440507682 538248632 /nfs/dbraw/zinc/24/86/32/538248632.db2.gz SHYOBOQAQPPXKR-LJQANCHMSA-N 0 3 355.394 1.962 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433760100 538269910 /nfs/dbraw/zinc/26/99/10/538269910.db2.gz ZNENNZRTNQWJPJ-GFCCVEGCSA-N 0 3 352.439 1.197 20 5 FDBDHN COC(=O)CC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000424286851 538271613 /nfs/dbraw/zinc/27/16/13/538271613.db2.gz WOCCPGXAXNTKRO-UHFFFAOYSA-N 0 3 356.400 1.300 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1F ZINC000420468693 538299283 /nfs/dbraw/zinc/29/92/83/538299283.db2.gz HBNQFTTVCZTNRW-CMPLNLGQSA-N 0 3 371.415 1.911 20 5 FDBDHN C[C@H]1CN(CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000420604300 538329046 /nfs/dbraw/zinc/32/90/46/538329046.db2.gz RULROKUKLGKUNB-STQMWFEESA-N 0 3 350.419 1.995 20 5 FDBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447258225 538364111 /nfs/dbraw/zinc/36/41/11/538364111.db2.gz VBMXHZZASYLZKV-ZETCQYMHSA-N 0 3 352.210 1.373 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CCCN2CCCO)cc([N+](=O)[O-])c1OC ZINC000452367216 538382578 /nfs/dbraw/zinc/38/25/78/538382578.db2.gz PLUGEVQRSNFKLG-CYBMUJFWSA-N 0 3 367.402 1.189 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452368189 538384394 /nfs/dbraw/zinc/38/43/94/538384394.db2.gz QLAMXKALRAGPNX-GFCCVEGCSA-N 0 3 373.356 1.773 20 5 FDBDHN O=C1C[C@@]2(CN1)CCCN(CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000464793463 538704882 /nfs/dbraw/zinc/70/48/82/538704882.db2.gz KFEXTFNDJZFKAU-GOSISDBHSA-N 0 3 374.397 1.495 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000473243530 538761709 /nfs/dbraw/zinc/76/17/09/538761709.db2.gz JQGKWYLRQQFKLJ-KRWDZBQOSA-N 0 3 361.402 1.213 20 5 FDBDHN COc1cc(CN(C)C2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000490087423 538847581 /nfs/dbraw/zinc/84/75/81/538847581.db2.gz IOEIJPDYUSJXAJ-UHFFFAOYSA-N 0 3 357.432 1.459 20 5 FDBDHN CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000561693022 545929652 /nfs/dbraw/zinc/92/96/52/545929652.db2.gz XFPCARPFJUUAEX-CQSZACIVSA-N 0 3 360.418 1.891 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000562509001 546161573 /nfs/dbraw/zinc/16/15/73/546161573.db2.gz HNOHQDXJJFGOBH-LBPRGKRZSA-N 0 3 364.402 1.390 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1CCNC2 ZINC000562746260 546252802 /nfs/dbraw/zinc/25/28/02/546252802.db2.gz GDLGUXRCWOVRGE-UHFFFAOYSA-N 0 3 368.393 1.538 20 5 FDBDHN CC(=O)N1CC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000562992692 546345578 /nfs/dbraw/zinc/34/55/78/546345578.db2.gz XIEBHDLQUKWFAA-GOEBONIOSA-N 0 3 359.386 1.240 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000563618394 546617927 /nfs/dbraw/zinc/61/79/27/546617927.db2.gz VFNIYDDZYWUTBL-BVPBIZIASA-N 0 3 366.414 1.651 20 5 FDBDHN CSC1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000565141167 547217130 /nfs/dbraw/zinc/21/71/30/547217130.db2.gz FKVJXRUNLSZUCZ-UHFFFAOYSA-N 0 3 353.444 1.917 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000568806902 548686987 /nfs/dbraw/zinc/68/69/87/548686987.db2.gz PIGQCDBNTSFWIJ-UHFFFAOYSA-N 0 3 362.430 1.944 20 5 FDBDHN CCCC(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568857719 548707451 /nfs/dbraw/zinc/70/74/51/548707451.db2.gz NKYNREGOMWJCIK-MRXNPFEDSA-N 0 3 361.402 1.681 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000568880488 548717951 /nfs/dbraw/zinc/71/79/51/548717951.db2.gz KYGRJOYUARIWIY-OCCSQVGLSA-N 0 3 355.398 1.965 20 5 FDBDHN CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH+](C)CC1 ZINC000569038963 548775192 /nfs/dbraw/zinc/77/51/92/548775192.db2.gz YKRYRWZRQPFCTF-UHFFFAOYSA-N 0 3 365.502 1.762 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000569706761 549020259 /nfs/dbraw/zinc/02/02/59/549020259.db2.gz PFIDHUGGCXSEDB-STQMWFEESA-N 0 3 365.459 1.683 20 5 FDBDHN COc1ccc2c(c1)OC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000571040125 549502970 /nfs/dbraw/zinc/50/29/70/549502970.db2.gz UCFAFPHPNSGVOZ-HUUCEWRRSA-N 0 3 374.393 1.936 20 5 FDBDHN CC[C@H]1CN(C)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000573389459 550127100 /nfs/dbraw/zinc/12/71/00/550127100.db2.gz HVULPNDGMPGIES-AWEZNQCLSA-N 0 3 351.403 1.673 20 5 FDBDHN CNc1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000573634650 550181768 /nfs/dbraw/zinc/18/17/68/550181768.db2.gz AURAEQYSRJYMSC-UHFFFAOYSA-N 0 3 358.402 2.352 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000574446342 550315100 /nfs/dbraw/zinc/31/51/00/550315100.db2.gz ZCXYSVQYDPFTTA-CYBMUJFWSA-N 0 3 372.443 1.282 20 5 FDBDHN O=C1NCCc2ccc(CNC[C@H](O)COc3ccccc3[N+](=O)[O-])cc21 ZINC000574751191 550364325 /nfs/dbraw/zinc/36/43/25/550364325.db2.gz OZOAFAGUTVJAEE-HNNXBMFYSA-N 0 3 371.393 1.410 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000576812952 550588492 /nfs/dbraw/zinc/58/84/92/550588492.db2.gz AVQILSUKQCLLOL-CQSZACIVSA-N 0 3 360.349 1.267 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000576833613 550590939 /nfs/dbraw/zinc/59/09/39/550590939.db2.gz ADVFFKOBAVAJCJ-GFCCVEGCSA-N 0 3 364.402 1.485 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000579830904 550915121 /nfs/dbraw/zinc/91/51/21/550915121.db2.gz BHGFLPIJHDMZJE-INIZCTEOSA-N 0 3 373.457 1.611 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000580645580 551004091 /nfs/dbraw/zinc/00/40/91/551004091.db2.gz MQFRSWGODRRZMQ-CQSZACIVSA-N 0 3 358.402 1.739 20 5 FDBDHN Cc1ccc(C(=O)NCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580769327 551016800 /nfs/dbraw/zinc/01/68/00/551016800.db2.gz MBCTWKCXIGWSDL-QGZVFWFLSA-N 0 3 373.409 1.663 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000580814660 551021066 /nfs/dbraw/zinc/02/10/66/551021066.db2.gz VKTVHKGLCHLHDM-ZDUSSCGKSA-N 0 3 358.398 1.980 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000581163583 551058889 /nfs/dbraw/zinc/05/88/89/551058889.db2.gz SAXLJAHLXUMQPY-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN CCN(CC)CC[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000582807632 551269256 /nfs/dbraw/zinc/26/92/56/551269256.db2.gz IEGPFJGVEQWYPU-GFCCVEGCSA-N 0 3 359.448 1.503 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000584739762 551540184 /nfs/dbraw/zinc/54/01/84/551540184.db2.gz GFMGJXKNCACINM-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000588008986 551640138 /nfs/dbraw/zinc/64/01/38/551640138.db2.gz WWPVSVLCCQLNAQ-DYVFJYSZSA-N 0 3 363.462 1.132 20 5 FDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860077 551694128 /nfs/dbraw/zinc/69/41/28/551694128.db2.gz DEIBBICOJNXGEP-CVEARBPZSA-N 0 3 374.441 1.476 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000589838621 551747424 /nfs/dbraw/zinc/74/74/24/551747424.db2.gz MKAHEMVPIOQHNI-LBPRGKRZSA-N 0 3 374.397 1.181 20 5 FDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000590004190 551756372 /nfs/dbraw/zinc/75/63/72/551756372.db2.gz IXSXSPQBBVOYRL-CQSZACIVSA-N 0 3 357.432 1.329 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@@]4(C3)CCCN(C)C4)cc2n(C)c1=O ZINC000590141956 551762120 /nfs/dbraw/zinc/76/21/20/551762120.db2.gz XNKULBCLIZIFPY-SFHVURJKSA-N 0 3 359.430 1.707 20 5 FDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000591685935 551896835 /nfs/dbraw/zinc/89/68/35/551896835.db2.gz AWFRIKBUTXKVRS-IUCAKERBSA-N 0 3 365.283 1.966 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCN(c3ccccn3)C2)c1 ZINC000591756978 551906712 /nfs/dbraw/zinc/90/67/12/551906712.db2.gz LMUMTNBMXOATLH-GOEBONIOSA-N 0 3 358.398 1.598 20 5 FDBDHN CCO[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592172181 551953469 /nfs/dbraw/zinc/95/34/69/551953469.db2.gz AYKOBIXSIAZESU-BHTHQVBYSA-N 0 3 356.444 1.833 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592488558 552000942 /nfs/dbraw/zinc/00/09/42/552000942.db2.gz LVKNCURSJBMEQA-OAHLLOKOSA-N 0 3 364.402 1.069 20 5 FDBDHN CSc1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592870962 552037183 /nfs/dbraw/zinc/03/71/83/552037183.db2.gz HNSJMJVNGVOEGX-LLVKDONJSA-N 0 3 366.443 1.509 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592870391 552037189 /nfs/dbraw/zinc/03/71/89/552037189.db2.gz CJJVGCODEIBJHF-ZDUSSCGKSA-N 0 3 362.430 1.451 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112088 552063851 /nfs/dbraw/zinc/06/38/51/552063851.db2.gz KMWNLYLJDRNORW-UHFFFAOYSA-N 0 3 350.419 1.960 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000593391515 552100920 /nfs/dbraw/zinc/10/09/20/552100920.db2.gz MPCZTIGKBZOMMJ-UHFFFAOYSA-N 0 3 357.414 1.972 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000593426818 552106996 /nfs/dbraw/zinc/10/69/96/552106996.db2.gz NWLKQJIYJJOUQM-INIZCTEOSA-N 0 3 365.405 1.990 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)CCN1 ZINC000593481612 552115706 /nfs/dbraw/zinc/11/57/06/552115706.db2.gz KCWPHORMDNYZDU-AWEZNQCLSA-N 0 3 369.425 1.934 20 5 FDBDHN Cc1cc(N2CCN(CCN(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593485975 552116213 /nfs/dbraw/zinc/11/62/13/552116213.db2.gz DYHIDSKYHHAJEP-UHFFFAOYSA-N 0 3 357.414 1.662 20 5 FDBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000593670873 552169924 /nfs/dbraw/zinc/16/99/24/552169924.db2.gz XVUXKNSUJSPGER-STQMWFEESA-N 0 3 372.429 1.939 20 5 FDBDHN Cn1cc(C(=O)N[C@@H](CN)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594451018 552313216 /nfs/dbraw/zinc/31/32/16/552313216.db2.gz BXBRTERZPBONMX-NSHDSACASA-N 0 3 357.292 1.615 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000594494395 552326191 /nfs/dbraw/zinc/32/61/91/552326191.db2.gz AGFIVUUDBCBEPR-QAPCUYQASA-N 0 3 360.458 1.578 20 5 FDBDHN CC(C)Oc1nc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000594566355 552334604 /nfs/dbraw/zinc/33/46/04/552334604.db2.gz WGNBAQDNRJNXKV-CQSZACIVSA-N 0 3 350.419 2.442 20 5 FDBDHN NS(=O)(=O)c1cc(N[C@H]2CCCN3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594599285 552339364 /nfs/dbraw/zinc/33/93/64/552339364.db2.gz ISNSVVIEEPKPHU-GJZGRUSLSA-N 0 3 354.432 1.671 20 5 FDBDHN CC(=O)NCc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000594719069 552362912 /nfs/dbraw/zinc/36/29/12/552362912.db2.gz YXTXQJQCMTUTKH-QGZVFWFLSA-N 0 3 373.409 1.760 20 5 FDBDHN CCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000595131506 552461441 /nfs/dbraw/zinc/46/14/41/552461441.db2.gz MOHUFKJSXIRDQG-ZDUSSCGKSA-N 0 3 364.402 1.485 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595234541 552500573 /nfs/dbraw/zinc/50/05/73/552500573.db2.gz KSJDLNWTKDFQAC-HNNXBMFYSA-N 0 3 360.374 1.274 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595631491 552595299 /nfs/dbraw/zinc/59/52/99/552595299.db2.gz JCWBGDLPWPJJLU-XYPHTWIQSA-N 0 3 365.430 1.713 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595631149 552595518 /nfs/dbraw/zinc/59/55/18/552595518.db2.gz GBPFCWRFCYZCCE-YSVLISHTSA-N 0 3 365.430 1.997 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000595736038 552608906 /nfs/dbraw/zinc/60/89/06/552608906.db2.gz LNWVSZNBCBXGIR-ZDUSSCGKSA-N 0 3 353.375 1.279 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)[C@H](CN)C(F)(F)F ZINC000595907967 552631827 /nfs/dbraw/zinc/63/18/27/552631827.db2.gz LESKMPNYQIGVGA-QPUJVOFHSA-N 0 3 364.324 1.752 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596123678 552657639 /nfs/dbraw/zinc/65/76/39/552657639.db2.gz ZTHYJSSWTHWGAX-UHFFFAOYSA-N 0 3 355.826 1.420 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596158160 552660592 /nfs/dbraw/zinc/66/05/92/552660592.db2.gz RROSDXBWHRICOT-HNNXBMFYSA-N 0 3 361.446 1.298 20 5 FDBDHN Cc1c(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000596579241 552691194 /nfs/dbraw/zinc/69/11/94/552691194.db2.gz MKTKXJWOAZJCPM-UHFFFAOYSA-N 0 3 365.434 1.065 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597049842 552739425 /nfs/dbraw/zinc/73/94/25/552739425.db2.gz YYSBYHXHBNNTDW-WFASDCNBSA-N 0 3 355.416 1.030 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597652657 552817769 /nfs/dbraw/zinc/81/77/69/552817769.db2.gz DHRLFTOGXPGCTC-MRXNPFEDSA-N 0 3 372.425 1.859 20 5 FDBDHN Cc1cc(OCC(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693458 552822791 /nfs/dbraw/zinc/82/27/91/552822791.db2.gz DJIWDKHDXPOONJ-IAGOWNOFSA-N 0 3 363.414 1.604 20 5 FDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN2CC[C@H]1C2 ZINC000597710543 552825185 /nfs/dbraw/zinc/82/51/85/552825185.db2.gz UQUQIQLOWUUUMN-ZDUSSCGKSA-N 0 3 360.370 1.199 20 5 FDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597714225 552825616 /nfs/dbraw/zinc/82/56/16/552825616.db2.gz HFDDEVMCJSMXNK-SFHVURJKSA-N 0 3 361.398 1.924 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597857607 552841456 /nfs/dbraw/zinc/84/14/56/552841456.db2.gz GNLAVSIPDVITQX-CQSZACIVSA-N 0 3 358.402 1.778 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597925894 552846374 /nfs/dbraw/zinc/84/63/74/552846374.db2.gz XXBIASIAXQPTQR-CHWSQXEVSA-N 0 3 366.466 1.816 20 5 FDBDHN CCCN1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598341444 552887079 /nfs/dbraw/zinc/88/70/79/552887079.db2.gz BNLXAYRJGBZFBI-QWHCGFSZSA-N 0 3 364.402 1.393 20 5 FDBDHN CC1(C)CCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598631162 552918250 /nfs/dbraw/zinc/91/82/50/552918250.db2.gz KGGZGZWQKWOHAC-UHFFFAOYSA-N 0 3 350.423 1.508 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598638029 552919057 /nfs/dbraw/zinc/91/90/57/552919057.db2.gz PCIVPQHFOKMXCK-CQSZACIVSA-N 0 3 364.450 1.754 20 5 FDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000598893709 552940269 /nfs/dbraw/zinc/94/02/69/552940269.db2.gz BWEXCHMINPWQGA-UHFFFAOYSA-N 0 3 361.402 1.459 20 5 FDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000598896679 552940930 /nfs/dbraw/zinc/94/09/30/552940930.db2.gz MEDJZUINXZRPJS-AWEZNQCLSA-N 0 3 361.402 1.317 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901107 552941495 /nfs/dbraw/zinc/94/14/95/552941495.db2.gz NYQWBUFXHNYGGF-NHYWBVRUSA-N 0 3 361.402 1.315 20 5 FDBDHN COC(=O)CCNC(=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599089739 552966134 /nfs/dbraw/zinc/96/61/34/552966134.db2.gz WMPIAZIMGBOFAK-OAHLLOKOSA-N 0 3 363.414 1.976 20 5 FDBDHN CN1CCCC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599415304 553051933 /nfs/dbraw/zinc/05/19/33/553051933.db2.gz MYQGGBQBQOFOKV-HNNXBMFYSA-N 0 3 355.460 1.789 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCCF)CC1 ZINC000599667590 553116901 /nfs/dbraw/zinc/11/69/01/553116901.db2.gz GVWAPSWCIXKJJX-UHFFFAOYSA-N 0 3 368.409 1.909 20 5 FDBDHN CN1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829034 553156830 /nfs/dbraw/zinc/15/68/30/553156830.db2.gz BRUNLRWUSIUFOG-UHFFFAOYSA-N 0 3 359.386 1.721 20 5 FDBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599937684 553178375 /nfs/dbraw/zinc/17/83/75/553178375.db2.gz IAUZPUPEPQWFLJ-KBPBESRZSA-N 0 3 365.405 1.679 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007721 553198638 /nfs/dbraw/zinc/19/86/38/553198638.db2.gz YQRRLKYTGAWSSH-UHFFFAOYSA-N 0 3 365.434 1.203 20 5 FDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1N(C)C ZINC000601135944 553351282 /nfs/dbraw/zinc/35/12/82/553351282.db2.gz TVULFZZXZLTANB-SFYZADRCSA-N 0 3 353.370 1.829 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(CN2CCN(C)CC2)C1 ZINC000601187876 553357841 /nfs/dbraw/zinc/35/78/41/553357841.db2.gz YIFFCFQVIMNPMW-UHFFFAOYSA-N 0 3 362.356 1.031 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601422572 553401794 /nfs/dbraw/zinc/40/17/94/553401794.db2.gz SUWAMRRCCJDGRO-SKDRFNHKSA-N 0 3 361.395 1.456 20 5 FDBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000601881131 553486147 /nfs/dbraw/zinc/48/61/47/553486147.db2.gz RRMJNEWNQZYJJQ-MRXNPFEDSA-N 0 3 370.409 1.456 20 5 FDBDHN CN1CCC(O)(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602552978 553604606 /nfs/dbraw/zinc/60/46/06/553604606.db2.gz BKMIAKWFILFYGB-UHFFFAOYSA-N 0 3 364.265 1.965 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000602840119 553648049 /nfs/dbraw/zinc/64/80/49/553648049.db2.gz JDOXSUOCUYXEJO-MRXNPFEDSA-N 0 3 374.445 1.729 20 5 FDBDHN C[C@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000603446037 553789834 /nfs/dbraw/zinc/78/98/34/553789834.db2.gz WDIGXJBQXPGACQ-LBPRGKRZSA-N 0 3 360.414 1.912 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2cnccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000604385473 553871135 /nfs/dbraw/zinc/87/11/35/553871135.db2.gz XMGPTOJAPUIOMX-UHFFFAOYSA-N 0 3 359.390 1.036 20 5 FDBDHN Cc1nn(C)c(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000604385473 553871137 /nfs/dbraw/zinc/87/11/37/553871137.db2.gz XMGPTOJAPUIOMX-UHFFFAOYSA-N 0 3 359.390 1.036 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609443314 554377448 /nfs/dbraw/zinc/37/74/48/554377448.db2.gz SATPOBSNOQOTKD-OAHLLOKOSA-N 0 3 364.377 1.288 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609448712 554377871 /nfs/dbraw/zinc/37/78/71/554377871.db2.gz QGFQLDMTAIYAOJ-UHFFFAOYSA-N 0 3 362.430 1.196 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000609477963 554380993 /nfs/dbraw/zinc/38/09/93/554380993.db2.gz SGZOGQZCPQMUBO-UHFFFAOYSA-N 0 3 365.434 1.645 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1 ZINC000609664944 554408949 /nfs/dbraw/zinc/40/89/49/554408949.db2.gz ORDLGENWZUYTFM-HNNXBMFYSA-N 0 3 371.441 1.928 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000609710461 554414759 /nfs/dbraw/zinc/41/47/59/554414759.db2.gz PDTABPPVZUZVPU-CYBMUJFWSA-N 0 3 351.403 1.426 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000610404658 554500794 /nfs/dbraw/zinc/50/07/94/554500794.db2.gz HUYROLWMVYTNRV-ZIAGYGMSSA-N 0 3 362.434 1.304 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432910 554505109 /nfs/dbraw/zinc/50/51/09/554505109.db2.gz IEDYUJANKXICJK-IAGOWNOFSA-N 0 3 356.386 1.380 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OCCCO)CC2)c1 ZINC000610682918 554549063 /nfs/dbraw/zinc/54/90/63/554549063.db2.gz HOCWTLKYYADIRL-HNNXBMFYSA-N 0 3 354.403 1.198 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000610923031 554581322 /nfs/dbraw/zinc/58/13/22/554581322.db2.gz KJUNTCCONNSAJL-GFCCVEGCSA-N 0 3 364.450 1.340 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197572 554614487 /nfs/dbraw/zinc/61/44/87/554614487.db2.gz OLKZUWOOADLHMA-UHFFFAOYSA-N 0 3 359.386 1.387 20 5 FDBDHN CC[C@H](CN1CCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000611234266 554618172 /nfs/dbraw/zinc/61/81/72/554618172.db2.gz YNKUHCNERBMAED-OAHLLOKOSA-N 0 3 355.460 1.931 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000611752966 554675586 /nfs/dbraw/zinc/67/55/86/554675586.db2.gz AWNXEWPSTNSJFA-CQSZACIVSA-N 0 3 351.403 1.886 20 5 FDBDHN C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000618350363 555621578 /nfs/dbraw/zinc/62/15/78/555621578.db2.gz SNBWWIJKGFXVJI-UHFFFAOYSA-N 0 3 373.369 1.239 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CO)(OC)CC1 ZINC000618551210 555648336 /nfs/dbraw/zinc/64/83/36/555648336.db2.gz OKXGCJQDGZTIKU-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000619254538 555745741 /nfs/dbraw/zinc/74/57/41/555745741.db2.gz MGXASXCQQQXDGO-SFHVURJKSA-N 0 3 364.446 1.702 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000619495539 555789041 /nfs/dbraw/zinc/78/90/41/555789041.db2.gz YAKJICRHQOBNEU-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000272023829 674406654 /nfs/dbraw/zinc/40/66/54/674406654.db2.gz LUVDPYLORLIPAJ-JKSUJKDBSA-N 0 3 364.471 1.461 20 5 FDBDHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134629 598523054 /nfs/dbraw/zinc/52/30/54/598523054.db2.gz KVDWRDCZPOVMHK-QWRGUYRKSA-N 0 3 369.389 1.364 20 5 FDBDHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134629 598523055 /nfs/dbraw/zinc/52/30/55/598523055.db2.gz KVDWRDCZPOVMHK-QWRGUYRKSA-N 0 3 369.389 1.364 20 5 FDBDHN CNC(=O)CCCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272379770 674436804 /nfs/dbraw/zinc/43/68/04/674436804.db2.gz HOHQVSNNJHOOQG-UHFFFAOYSA-N 0 3 361.345 1.863 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000273141071 674510568 /nfs/dbraw/zinc/51/05/68/674510568.db2.gz KDASORDXMKTEOV-GJZGRUSLSA-N 0 3 350.346 1.797 20 5 FDBDHN C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000820770249 606804151 /nfs/dbraw/zinc/80/41/51/606804151.db2.gz ZXPYLKMUZMDSKA-BMIGLBTASA-N 0 3 368.401 1.709 20 5 FDBDHN C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000820770249 606804153 /nfs/dbraw/zinc/80/41/53/606804153.db2.gz ZXPYLKMUZMDSKA-BMIGLBTASA-N 0 3 368.401 1.709 20 5 FDBDHN C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000826021654 607903834 /nfs/dbraw/zinc/90/38/34/607903834.db2.gz BPVMLGDPUSIUON-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000826021654 607903835 /nfs/dbraw/zinc/90/38/35/607903835.db2.gz BPVMLGDPUSIUON-LBPRGKRZSA-N 0 3 358.406 1.338 20 5 FDBDHN COC(=O)c1cnc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000276666363 674748016 /nfs/dbraw/zinc/74/80/16/674748016.db2.gz DFFMEXSTKNXWPT-KGLIPLIRSA-N 0 3 366.443 1.792 20 5 FDBDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245463285 672444770 /nfs/dbraw/zinc/44/47/70/672444770.db2.gz HCLHJSJSGFHOAS-VNFRKBOCSA-N 0 3 366.443 1.583 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246107487 672491182 /nfs/dbraw/zinc/49/11/82/672491182.db2.gz HYAZGZLLVOGINO-JSGCOSHPSA-N 0 3 371.459 1.954 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246121689 672493787 /nfs/dbraw/zinc/49/37/87/672493787.db2.gz JBBVVEFDZVQFGS-WCQYABFASA-N 0 3 357.432 1.564 20 5 FDBDHN Cc1ccc(NCCCNC(=O)[C@H](N)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000261877120 672686896 /nfs/dbraw/zinc/68/68/96/672686896.db2.gz UEABPALAAQMLFN-MRXNPFEDSA-N 0 3 350.419 1.575 20 5 FDBDHN COc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265914422 673017068 /nfs/dbraw/zinc/01/70/68/673017068.db2.gz ACVHLLXHSYKZCX-LBPRGKRZSA-N 0 3 353.375 1.015 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000281595584 675534238 /nfs/dbraw/zinc/53/42/38/675534238.db2.gz RKLNUTQYAKBRDA-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282592163 675637320 /nfs/dbraw/zinc/63/73/20/675637320.db2.gz QCTKKMNLQODJSU-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000327985685 676597071 /nfs/dbraw/zinc/59/70/71/676597071.db2.gz QVPIHVGSGGKCAQ-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363206014 676941086 /nfs/dbraw/zinc/94/10/86/676941086.db2.gz AEFKSGAUAOKXGR-FZMZJTMJSA-N 0 3 350.331 1.096 20 5 FDBDHN C[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000363818118 676974824 /nfs/dbraw/zinc/97/48/24/676974824.db2.gz GYEQIGGAFWYRCE-IACUBPJLSA-N 0 3 351.378 1.817 20 5 FDBDHN CCc1nn(C)c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364291288 677005403 /nfs/dbraw/zinc/00/54/03/677005403.db2.gz OZZROVSJCLLKOF-HIFRSBDPSA-N 0 3 350.467 1.353 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364324862 677007890 /nfs/dbraw/zinc/00/78/90/677007890.db2.gz OFSAXCFRDCCSFW-UONOGXRCSA-N 0 3 371.463 1.100 20 5 FDBDHN C[C@H](CO)N1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000364953985 677340491 /nfs/dbraw/zinc/34/04/91/677340491.db2.gz IUSDUYROOLMOMA-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN Nc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000366204818 677421310 /nfs/dbraw/zinc/42/13/10/677421310.db2.gz VXYVEQCBGHSAPG-GFCCVEGCSA-N 0 3 352.366 1.299 20 5 FDBDHN Cc1cnc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369788925 677516971 /nfs/dbraw/zinc/51/69/71/677516971.db2.gz GUCVPWSHHFKDQO-GXTWGEPZSA-N 0 3 351.432 1.797 20 5 FDBDHN COC1([C@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000412022764 679144874 /nfs/dbraw/zinc/14/48/74/679144874.db2.gz VIPLYUDKXUIWCH-JTQLQIEISA-N 0 3 351.359 1.809 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1F ZINC000412208554 679164486 /nfs/dbraw/zinc/16/44/86/679164486.db2.gz AXLRGQLFHFVLQZ-OCCSQVGLSA-N 0 3 371.434 1.789 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426881794 680963338 /nfs/dbraw/zinc/96/33/38/680963338.db2.gz GFFPLZUNSWMUPJ-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000429248709 681028312 /nfs/dbraw/zinc/02/83/12/681028312.db2.gz ODNIHVCQBGRKRD-KFWWJZLASA-N 0 3 351.447 1.890 20 5 FDBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440338918 681987715 /nfs/dbraw/zinc/98/77/15/681987715.db2.gz LBQAXNAYRCLAJV-ZETCQYMHSA-N 0 3 352.210 1.373 20 5 FDBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCNCC2)c1 ZINC000440359642 681991465 /nfs/dbraw/zinc/99/14/65/681991465.db2.gz WGAWOGNINPITKN-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](C)N(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451654070 682913257 /nfs/dbraw/zinc/91/32/57/682913257.db2.gz OHKIHNLIFDLEMP-OKILXGFUSA-N 0 3 353.419 1.369 20 5 FDBDHN O=C1CC[C@H](N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451918614 682968184 /nfs/dbraw/zinc/96/81/84/682968184.db2.gz QONQPESOEAMPOA-ZDUSSCGKSA-N 0 3 350.394 1.520 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466229821 684807934 /nfs/dbraw/zinc/80/79/34/684807934.db2.gz ZUWUCVIWBBSOTP-LBPRGKRZSA-N 0 3 356.810 1.768 20 5 FDBDHN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCNCC1 ZINC000470002162 684998362 /nfs/dbraw/zinc/99/83/62/684998362.db2.gz HEFDDJXAXFSJNL-AWEZNQCLSA-N 0 3 366.849 1.892 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472546358 685219157 /nfs/dbraw/zinc/21/91/57/685219157.db2.gz IRRNGHOAMYYVLP-LLVKDONJSA-N 0 3 352.366 1.663 20 5 FDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000480735470 686216816 /nfs/dbraw/zinc/21/68/16/686216816.db2.gz GCNOKKSLRIUZDF-JTQLQIEISA-N 0 3 363.411 1.751 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501108721 688156246 /nfs/dbraw/zinc/15/62/46/688156246.db2.gz TXGOOZUXOOMKLA-ZDUSSCGKSA-N 0 3 373.207 1.545 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509772549 689309590 /nfs/dbraw/zinc/30/95/90/689309590.db2.gz GNPIUQXKJXSEEX-QMMMGPOBSA-N 0 3 360.317 1.201 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000511106079 689468706 /nfs/dbraw/zinc/46/87/06/689468706.db2.gz KMTDLQRDIOPURD-BFYDXBDKSA-N 0 3 351.447 1.539 20 5 FDBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699698 694634709 /nfs/dbraw/zinc/63/47/09/694634709.db2.gz NAWGDRACYHYUCR-UHFFFAOYSA-N 0 3 358.464 1.978 20 5 FDBDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164623167 719132252 /nfs/dbraw/zinc/13/22/52/719132252.db2.gz RJAHGRWOLCBNAU-MRVPVSSYSA-N 0 3 350.709 1.139 20 5 FDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881009 721136039 /nfs/dbraw/zinc/13/60/39/721136039.db2.gz YTVHCHHDZSCIAI-HZPDHXFCSA-N 0 3 370.413 1.447 20 5 FDBDHN C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1=CCN(C)CC1 ZINC000510739886 779791711 /nfs/dbraw/zinc/79/17/11/779791711.db2.gz FJLIYBATDFVUIO-LBPRGKRZSA-N 0 3 361.398 1.675 20 5 FDBDHN COc1c(O)ccc(CN2CCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000892090810 781498440 /nfs/dbraw/zinc/49/84/40/781498440.db2.gz BLOYJOHHIJFZMA-UHFFFAOYSA-N 0 3 351.403 1.606 20 5 FDBDHN COc1c(O)ccc(CN2CC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000892115611 781596460 /nfs/dbraw/zinc/59/64/60/781596460.db2.gz PXZGDWHBNKNLHQ-CYBMUJFWSA-N 0 3 351.403 1.463 20 5 FDBDHN COc1ccc([C@@H](O)[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000376493557 788048120 /nfs/dbraw/zinc/04/81/20/788048120.db2.gz WNOOFCKQPSFGOC-IEBWSBKVSA-N 0 3 373.409 1.963 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377511381 792060813 /nfs/dbraw/zinc/06/08/13/792060813.db2.gz JOJSJEBOTUYZIL-JKSUJKDBSA-N 0 3 371.397 1.374 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377511378 792060976 /nfs/dbraw/zinc/06/09/76/792060976.db2.gz JOJSJEBOTUYZIL-CVEARBPZSA-N 0 3 371.397 1.374 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724728 815215486 /nfs/dbraw/zinc/21/54/86/815215486.db2.gz NCBFIDFNKHSYEW-XTQGRXLLSA-N 0 3 359.386 1.942 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000728905700 808935590 /nfs/dbraw/zinc/93/55/90/808935590.db2.gz STSPZUALQADCIE-UHFFFAOYSA-N 0 3 374.445 1.388 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424000195 815289239 /nfs/dbraw/zinc/28/92/39/815289239.db2.gz NZRNQSIMOSOZQP-NSHDSACASA-N 0 3 355.369 1.539 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000894015985 809868229 /nfs/dbraw/zinc/86/82/29/809868229.db2.gz GJKJGEWWKHAOTB-XKQJLSEDSA-N 0 3 362.430 1.896 20 5 FDBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] ZINC000504929843 815358628 /nfs/dbraw/zinc/35/86/28/815358628.db2.gz LYTRTIYDPVADPM-LBPRGKRZSA-N 0 3 359.386 1.864 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421293839 814079306 /nfs/dbraw/zinc/07/93/06/814079306.db2.gz FGHHSXVMATYAFQ-ZDUSSCGKSA-N 0 3 364.402 1.485 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](CO)CN2CCCCC2)c1F ZINC000413794146 814170601 /nfs/dbraw/zinc/17/06/01/814170601.db2.gz CIAQEUHRPQWIHN-LBPRGKRZSA-N 0 3 369.393 1.248 20 5 FDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367060678 814296118 /nfs/dbraw/zinc/29/61/18/814296118.db2.gz QZWNEXLJDDSQLW-DZGCQCFKSA-N 0 3 363.418 1.965 20 5 FDBDHN Cc1cc(OCC(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000516947304 817121203 /nfs/dbraw/zinc/12/12/03/817121203.db2.gz WOVMZIZZFUCVCZ-UHFFFAOYSA-N 0 3 364.446 1.426 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000518244441 817804378 /nfs/dbraw/zinc/80/43/78/817804378.db2.gz XFDFWQCXNQZRDN-INIZCTEOSA-N 0 3 374.441 1.606 20 5 FDBDHN Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000896219485 824210113 /nfs/dbraw/zinc/21/01/13/824210113.db2.gz FGSNVWMGUNGBGI-CVEARBPZSA-N 0 3 362.430 1.644 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000474820509 824483197 /nfs/dbraw/zinc/48/31/97/824483197.db2.gz RZKBJVWEFGAFDG-UHFFFAOYSA-N 0 3 366.437 1.809 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000281771290 826234978 /nfs/dbraw/zinc/23/49/78/826234978.db2.gz XYLJFLGLUHVMCF-ZDUSSCGKSA-N 0 3 364.402 1.533 20 5 FDBDHN CN1CCCC(C)(C)[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000447806857 828903918 /nfs/dbraw/zinc/90/39/18/828903918.db2.gz OULYXBFIGSAMPT-ZDUSSCGKSA-N 0 3 356.448 1.775 20 5 FDBDHN Cn1ccnc1[C@@H](NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000449384621 829476128 /nfs/dbraw/zinc/47/61/28/829476128.db2.gz CELNZGNCJPLERD-ROUUACIJSA-N 0 3 373.457 1.854 20 5 FDBDHN COC[C@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000449699530 829613321 /nfs/dbraw/zinc/61/33/21/829613321.db2.gz QBASCVHVABUVAK-GOSISDBHSA-N 0 3 360.414 1.826 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450302423 829909429 /nfs/dbraw/zinc/90/94/29/829909429.db2.gz KUSUPRJZHKCNOJ-QGZVFWFLSA-N 0 3 371.441 2.498 20 5 FDBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000450746240 830094489 /nfs/dbraw/zinc/09/44/89/830094489.db2.gz IORUPRVDEVFKBD-INIZCTEOSA-N 0 3 361.446 1.760 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261667725 837251936 /nfs/dbraw/zinc/25/19/36/837251936.db2.gz BRLYTBYHVWNVEI-CQSZACIVSA-N 0 3 358.402 1.222 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000261728698 837272821 /nfs/dbraw/zinc/27/28/21/837272821.db2.gz LIRJBZOTCJYPNJ-UHFFFAOYSA-N 0 3 356.430 1.978 20 5 FDBDHN Cc1c(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000479328979 844386700 /nfs/dbraw/zinc/38/67/00/844386700.db2.gz XNXPPZMMQTZNMP-AWEZNQCLSA-N 0 3 363.462 1.586 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476375039 841176112 /nfs/dbraw/zinc/17/61/12/841176112.db2.gz HHOGZPUETSWJNO-UHFFFAOYSA-N 0 3 359.430 1.965 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)[C@@H]2C1 ZINC000899138912 845858073 /nfs/dbraw/zinc/85/80/73/845858073.db2.gz YYMLDDHELZYACL-HUUCEWRRSA-N 0 3 356.386 1.011 20 5 FDBDHN C[C@]12CSC[C@H]1CN([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000899255251 845986659 /nfs/dbraw/zinc/98/66/59/845986659.db2.gz MLLOHHAVFYZEBV-WHCBVINPSA-N 0 3 361.423 1.912 20 5 FDBDHN CC(=O)N[C@@H](C)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000481123892 846128398 /nfs/dbraw/zinc/12/83/98/846128398.db2.gz GRTNZLVTEYDBJP-BBRMVZONSA-N 0 3 365.430 1.571 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c1C ZINC000907547171 854346179 /nfs/dbraw/zinc/34/61/79/854346179.db2.gz AZSFSIBGLMVHNB-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000488582385 858309631 /nfs/dbraw/zinc/30/96/31/858309631.db2.gz OUPJAZYBOOULTJ-UHFFFAOYSA-N 0 3 370.400 1.558 20 5 FDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000916660070 881990469 /nfs/dbraw/zinc/99/04/69/881990469.db2.gz BSOIJNWYWAERQA-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000456316449 866828275 /nfs/dbraw/zinc/82/82/75/866828275.db2.gz AESLWXDPXGEPOB-HNNXBMFYSA-N 0 3 357.414 1.772 20 5 FDBDHN CC1CCN([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000491447323 869300085 /nfs/dbraw/zinc/30/00/85/869300085.db2.gz ZXIRVNHCVINKBI-MRXNPFEDSA-N 0 3 372.429 1.776 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000916739013 882363292 /nfs/dbraw/zinc/36/32/92/882363292.db2.gz MDVVGQHNRHRHPJ-UHFFFAOYSA-N 0 3 358.402 1.572 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282102372 870938437 /nfs/dbraw/zinc/93/84/37/870938437.db2.gz PJXRBSYBEDREGP-PBHICJAKSA-N 0 3 374.445 1.565 20 5 FDBDHN Cc1c(CNC(=O)NC[C@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000922168261 873343789 /nfs/dbraw/zinc/34/37/89/873343789.db2.gz NGEAHGFCKAJCLZ-MRXNPFEDSA-N 0 3 362.430 1.956 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000428966654 879153848 /nfs/dbraw/zinc/15/38/48/879153848.db2.gz KGWRYNMUWBSOMI-GOSISDBHSA-N 0 3 373.413 1.037 20 5 FDBDHN Cc1cnc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)cn1 ZINC001034816016 885121085 /nfs/dbraw/zinc/12/10/85/885121085.db2.gz ILFPTIPTYCIWTJ-IAGOWNOFSA-N 0 3 355.398 1.356 20 5 FDBDHN Cn1cc(CN2C[C@H](C[C@@H]3COCCN3)c3ccccc32)c([N+](=O)[O-])n1 ZINC000923541879 889733262 /nfs/dbraw/zinc/73/32/62/889733262.db2.gz WSPBRXGATIVUKG-DZGCQCFKSA-N 0 3 357.414 1.811 20 5 FDBDHN COC[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000265787307 892929573 /nfs/dbraw/zinc/92/95/73/892929573.db2.gz LQGGKFGEDRPRPC-OAHLLOKOSA-N 0 3 362.430 1.212 20 5 FDBDHN C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1=CCN(C)CC1 ZINC000273162271 911156663 /nfs/dbraw/zinc/15/66/63/911156663.db2.gz ZTTUEUAYCWQOSK-SJKOYZFVSA-N 0 3 358.398 1.854 20 5 FDBDHN COc1cc(CNCCc2nnc3ccccn32)c([N+](=O)[O-])cc1OC ZINC000731449985 918060094 /nfs/dbraw/zinc/06/00/94/918060094.db2.gz NCZJJINOXDCGJY-UHFFFAOYSA-N 0 3 357.370 1.987 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CCCN1C ZINC000733168121 920723207 /nfs/dbraw/zinc/72/32/07/920723207.db2.gz CPTGOHICKWHWJY-LBPRGKRZSA-N 0 3 351.359 1.005 20 5 FDBDHN CC(C)(C)c1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086084513 925920670 /nfs/dbraw/zinc/92/06/70/925920670.db2.gz UJVDMKCKFCIPGF-YVECIDJPSA-N 0 3 350.419 1.622 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786776427 932029636 /nfs/dbraw/zinc/02/96/36/932029636.db2.gz DSUTUGMQEUXZNP-STQMWFEESA-N 0 3 355.416 1.273 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000787092696 932156701 /nfs/dbraw/zinc/15/67/01/932156701.db2.gz SCYIJSUYLKOESR-LJQANCHMSA-N 0 3 370.409 1.544 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCCOCCc2ccccc2)CC1 ZINC001112835837 932561726 /nfs/dbraw/zinc/56/17/26/932561726.db2.gz QHASQPCEPULOIL-QZTJIDSGSA-N 0 3 361.442 1.445 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804557824 938469339 /nfs/dbraw/zinc/46/93/39/938469339.db2.gz JEZGOHZQJZFFNG-CQSZACIVSA-N 0 3 363.374 1.246 20 5 FDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000804585413 938482758 /nfs/dbraw/zinc/48/27/58/938482758.db2.gz LLKPDDUMYPOHGU-ZIAGYGMSSA-N 0 3 363.418 1.965 20 5 FDBDHN CCOC(=O)c1cc(NC2=C(C(=O)OCC)CNCC2)ccc1[N+](=O)[O-] ZINC001170521629 940315749 /nfs/dbraw/zinc/31/57/49/940315749.db2.gz YXHGEXJFDYSGDB-UHFFFAOYSA-N 0 3 363.370 1.994 20 5 FDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813101794 941325468 /nfs/dbraw/zinc/32/54/68/941325468.db2.gz IUGRRUKWNHRKQM-CYBMUJFWSA-N 0 3 370.427 1.612 20 5 FDBDHN CC(C)c1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102994 941325999 /nfs/dbraw/zinc/32/59/99/941325999.db2.gz XJORPBBDOFNTKI-GFCCVEGCSA-N 0 3 358.416 1.687 20 5 FDBDHN CC(COC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813109046 941333881 /nfs/dbraw/zinc/33/38/81/941333881.db2.gz NRZZFOUGBICVJN-AWEZNQCLSA-N 0 3 365.386 1.149 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cc1 ZINC000813113800 941336470 /nfs/dbraw/zinc/33/64/70/941336470.db2.gz JGFIJLWBWMHHML-ZDUSSCGKSA-N 0 3 370.427 1.604 20 5 FDBDHN C[NH+]1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814980347 941746440 /nfs/dbraw/zinc/74/64/40/941746440.db2.gz KLWWXQHRLYLWOO-UHFFFAOYSA-N 0 3 351.787 1.760 20 5 FDBDHN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560956 941904759 /nfs/dbraw/zinc/90/47/59/941904759.db2.gz UYZYYZWWJWPHQR-NSHDSACASA-N 0 3 371.397 1.243 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccnc(N3CCOCC3)c2)c1 ZINC000818951846 943361141 /nfs/dbraw/zinc/36/11/41/943361141.db2.gz SBBNPNHVRXLRCW-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccc(N3CCOCC3)n2)cc1 ZINC000819242649 943479619 /nfs/dbraw/zinc/47/96/19/943479619.db2.gz MFIJLTNLFNSWNL-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN Cn1ccnc1CN1CCC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819221979 943494221 /nfs/dbraw/zinc/49/42/21/943494221.db2.gz KMMGUVVAKHLTRT-HZPDHXFCSA-N 0 3 373.413 1.143 20 5 FDBDHN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccn1 ZINC000819223600 943495559 /nfs/dbraw/zinc/49/55/59/943495559.db2.gz HMRHFPKLWCUWOC-ZWKOTPCHSA-N 0 3 370.409 1.804 20 5 FDBDHN C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000823994630 946144078 /nfs/dbraw/zinc/14/40/78/946144078.db2.gz XCBCSPWHTNPAKO-GFCCVEGCSA-N 0 3 350.423 1.182 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1=O ZINC000844761872 948370746 /nfs/dbraw/zinc/37/07/46/948370746.db2.gz FDHHOPQMJVPDEU-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857317094 971715503 /nfs/dbraw/zinc/71/55/03/971715503.db2.gz PCTUSKBPSGMAEQ-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC001197844568 972469255 /nfs/dbraw/zinc/46/92/55/972469255.db2.gz JCCOKKODCCYOLB-CZUORRHYSA-N 0 3 372.443 1.400 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176532582 963462000 /nfs/dbraw/zinc/46/20/00/963462000.db2.gz ALFASPXPYVBMQK-LSDHHAIUSA-N 0 3 360.414 1.450 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3cnns3)CC2)CC1 ZINC000957547731 1013437750 /nfs/dbraw/zinc/43/77/50/1013437750.db2.gz NNKHFGGCGACRHU-ZIAGYGMSSA-N 0 3 365.459 1.408 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCNCc1nncs1)CC1CCCC1 ZINC001177313530 963755487 /nfs/dbraw/zinc/75/54/87/963755487.db2.gz BFALEZCIPOROIG-ZIAGYGMSSA-N 0 3 367.475 1.702 20 5 FDBDHN Cc1nonc1CNCCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313880 963755659 /nfs/dbraw/zinc/75/56/59/963755659.db2.gz VCPIJUWZJHJULH-GDBMZVCRSA-N 0 3 365.434 1.542 20 5 FDBDHN O=C(NCCCCCCNCc1nc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458343 964242346 /nfs/dbraw/zinc/24/23/46/964242346.db2.gz BXYFGZLVVRRUET-CHWSQXEVSA-N 0 3 351.407 1.378 20 5 FDBDHN Nc1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854497502 968941959 /nfs/dbraw/zinc/94/19/59/968941959.db2.gz RCJNBIDUXXJTDI-GOSISDBHSA-N 0 3 356.382 1.753 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000112917045 970091260 /nfs/dbraw/zinc/09/12/60/970091260.db2.gz PVBWPIMEXZOCMX-CQSZACIVSA-N 0 3 363.462 1.417 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000867808368 976907569 /nfs/dbraw/zinc/90/75/69/976907569.db2.gz MXWLMIGIONDPAK-YPMHNXCESA-N 0 3 357.407 1.757 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850371004 978342952 /nfs/dbraw/zinc/34/29/52/978342952.db2.gz WZMXPWOSRDDJOI-CYBMUJFWSA-N 0 3 350.371 1.948 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000850548842 978432293 /nfs/dbraw/zinc/43/22/93/978432293.db2.gz AZNMZWFSCCIDCM-LLVKDONJSA-N 0 3 366.393 1.970 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000886910585 986730757 /nfs/dbraw/zinc/73/07/57/986730757.db2.gz SIJZELNGROVVOU-GOEBONIOSA-N 0 3 363.414 1.515 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000886910587 986730965 /nfs/dbraw/zinc/73/09/65/986730965.db2.gz SIJZELNGROVVOU-ZBFHGGJFSA-N 0 3 363.414 1.515 20 5 FDBDHN Cc1c(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000873127851 988593046 /nfs/dbraw/zinc/59/30/46/988593046.db2.gz YQZSVOUWJPKRCA-CQSZACIVSA-N 0 3 356.448 1.264 20 5 FDBDHN CN1CCN(C2(CNc3ncc([N+](=O)[O-])c(N)n3)CCCCCC2)CC1 ZINC000363094257 988916303 /nfs/dbraw/zinc/91/63/03/988916303.db2.gz VMLOGBJEAIXLLU-UHFFFAOYSA-N 0 3 363.466 1.719 20 5 FDBDHN COCCCN1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000369727832 989124292 /nfs/dbraw/zinc/12/42/92/989124292.db2.gz RSGBTCFLFMUXHT-UHFFFAOYSA-N 0 3 364.446 1.602 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363943305 989463619 /nfs/dbraw/zinc/46/36/19/989463619.db2.gz WXQVWCUWIINTHX-HNNXBMFYSA-N 0 3 364.421 1.974 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370817385 990010395 /nfs/dbraw/zinc/01/03/95/990010395.db2.gz UONSZAAZDVYAAV-CYBMUJFWSA-N 0 3 372.381 1.112 20 5 FDBDHN NC(=O)c1cccnc1N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371557197 990523841 /nfs/dbraw/zinc/52/38/41/990523841.db2.gz AMUCWDCGKUEQCC-UHFFFAOYSA-N 0 3 369.425 1.844 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000875079023 990849476 /nfs/dbraw/zinc/84/94/76/990849476.db2.gz QDAVHAHWMPSIQX-IRXDYDNUSA-N 0 3 369.425 1.953 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000878545932 994011336 /nfs/dbraw/zinc/01/13/36/994011336.db2.gz FDDAATOKIXEIRN-OKILXGFUSA-N 0 3 365.434 1.898 20 5 FDBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878640165 994083107 /nfs/dbraw/zinc/08/31/07/994083107.db2.gz AFRWIJOAWUJGHQ-GOSISDBHSA-N 0 3 358.398 1.916 20 5 FDBDHN CN(C)C[C@H]1NC(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O ZINC000924859723 995068289 /nfs/dbraw/zinc/06/82/89/995068289.db2.gz WLYLPDUKRSBFIN-LLVKDONJSA-N 0 3 360.292 1.596 20 5 FDBDHN C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000266312428 999145039 /nfs/dbraw/zinc/14/50/39/999145039.db2.gz DKLSIETVUYPSQC-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286012792 999931297 /nfs/dbraw/zinc/93/12/97/999931297.db2.gz PMVOVOQSBHJCJF-GJZGRUSLSA-N 0 3 365.430 1.777 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)C[C@@]3(O)CCOC3)C2)cc1 ZINC000930639415 1003352452 /nfs/dbraw/zinc/35/24/52/1003352452.db2.gz REFIGSKZKFHWCL-NXHRZFHOSA-N 0 3 350.415 1.677 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931915248 1004604532 /nfs/dbraw/zinc/60/45/32/1004604532.db2.gz OINBLPLYKJBRSM-MNOVXSKESA-N 0 3 352.288 1.519 20 5 FDBDHN O=C(CN[C@H]1CCOC12CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934402753 1005740652 /nfs/dbraw/zinc/74/06/52/1005740652.db2.gz CHLYOSAKBRKCTO-INIZCTEOSA-N 0 3 361.398 1.412 20 5 FDBDHN O=C(NC1CC2(CC(NCc3ncc(C4CC4)o3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000963788073 1012696259 /nfs/dbraw/zinc/69/62/59/1012696259.db2.gz LGOUHHJGZVAURP-DPTAPRKNSA-N 0 3 360.414 1.734 20 5 FDBDHN CC(C)c1nnc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)o1 ZINC000963789424 1012699908 /nfs/dbraw/zinc/69/99/08/1012699908.db2.gz ZDAPZKNWSAQVGR-UETSVZEDSA-N 0 3 363.418 1.375 20 5 FDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000194737294 178223118 /nfs/dbraw/zinc/22/31/18/178223118.db2.gz SFZKYYMINZHGFH-JTQLQIEISA-N 0 3 364.221 1.373 20 5 FDBDHN C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237423613 178314060 /nfs/dbraw/zinc/31/40/60/178314060.db2.gz QLSPPDYBFJOLNR-ZJUUUORDSA-N 0 3 354.794 1.187 20 5 FDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237596942 178321081 /nfs/dbraw/zinc/32/10/81/178321081.db2.gz QLSPPDYBFJOLNR-VHSXEESVSA-N 0 3 354.794 1.187 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264751807 179188891 /nfs/dbraw/zinc/18/88/91/179188891.db2.gz LTBYATCNKQHYTH-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264933048 179244139 /nfs/dbraw/zinc/24/41/39/179244139.db2.gz SYQINACHPUPWBE-UHFFFAOYSA-N 0 3 362.430 1.054 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265295880 179333514 /nfs/dbraw/zinc/33/35/14/179333514.db2.gz LGFCCNIOJIZPNV-AWEZNQCLSA-N 0 3 362.430 1.515 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000523869604 539625153 /nfs/dbraw/zinc/62/51/53/539625153.db2.gz ODCYOZWVDIWUQV-QGZVFWFLSA-N 0 3 374.441 1.759 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000266523955 179616636 /nfs/dbraw/zinc/61/66/36/179616636.db2.gz JSKUDAMZIPAJOA-ZWKOTPCHSA-N 0 3 360.414 1.598 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267314303 179809096 /nfs/dbraw/zinc/80/90/96/179809096.db2.gz MIWUYMHZHVNWMR-INIZCTEOSA-N 0 3 366.443 1.395 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000268180302 180017664 /nfs/dbraw/zinc/01/76/64/180017664.db2.gz CLSZHERRBJPWBR-GFCCVEGCSA-N 0 3 368.821 1.275 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268510653 180101029 /nfs/dbraw/zinc/10/10/29/180101029.db2.gz DCEYPYOCYJCRDP-MRXNPFEDSA-N 0 3 370.409 1.489 20 5 FDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269594081 180336614 /nfs/dbraw/zinc/33/66/14/180336614.db2.gz FSDLLSHSPDLWCR-MGPQQGTHSA-N 0 3 350.419 1.239 20 5 FDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1N1CCCC1 ZINC000274695010 181148273 /nfs/dbraw/zinc/14/82/73/181148273.db2.gz RXYLPACUJMVJHU-CHWSQXEVSA-N 0 3 351.432 1.105 20 5 FDBDHN CNC(=O)c1ccc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000274696741 181149066 /nfs/dbraw/zinc/14/90/66/181149066.db2.gz SLMDIAZVBPTMDD-CVEARBPZSA-N 0 3 364.471 1.970 20 5 FDBDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000531614943 540106644 /nfs/dbraw/zinc/10/66/44/540106644.db2.gz NMQXPVCBJYHZFU-DZGCQCFKSA-N 0 3 368.434 1.596 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCn4cccn4)CC3)nc2c1 ZINC000274856884 181178652 /nfs/dbraw/zinc/17/86/52/181178652.db2.gz SKMRUPXTSPUDHQ-UHFFFAOYSA-N 0 3 355.402 1.880 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])n1 ZINC000533633007 540273741 /nfs/dbraw/zinc/27/37/41/540273741.db2.gz QGTZSNTVJPUUGS-UHFFFAOYSA-N 0 3 359.452 1.354 20 5 FDBDHN O=C1CCCN1[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000534862041 540421055 /nfs/dbraw/zinc/42/10/55/540421055.db2.gz FADZQKSTPPCIAX-CQSZACIVSA-N 0 3 374.397 1.590 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CS(=O)(=O)CCO1 ZINC000539051528 540920556 /nfs/dbraw/zinc/92/05/56/540920556.db2.gz LVFTWQFPJRMXHC-OLZOCXBDSA-N 0 3 374.484 1.869 20 5 FDBDHN COc1ccc(CCNCc2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O ZINC000539710691 540984383 /nfs/dbraw/zinc/98/43/83/540984383.db2.gz XZTNDFBLCWYHLV-UHFFFAOYSA-N 0 3 365.411 1.583 20 5 FDBDHN C[C@H]1COCCN1CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540802077 541098064 /nfs/dbraw/zinc/09/80/64/541098064.db2.gz CFXWQVCUMFMLAT-AWEZNQCLSA-N 0 3 359.430 1.806 20 5 FDBDHN CN(C)CCOCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000542457180 541408949 /nfs/dbraw/zinc/40/89/49/541408949.db2.gz AXQPWBMWCPRTNL-UHFFFAOYSA-N 0 3 362.386 1.216 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275660193 181380710 /nfs/dbraw/zinc/38/07/10/181380710.db2.gz VKDRESZFVQBVLQ-QWHCGFSZSA-N 0 3 364.402 1.566 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000543673057 541631890 /nfs/dbraw/zinc/63/18/90/541631890.db2.gz OZZZSQQFRUXNIS-LLVKDONJSA-N 0 3 359.452 1.162 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543761649 541656510 /nfs/dbraw/zinc/65/65/10/541656510.db2.gz ZLUYOQSIMQQXEY-OLZOCXBDSA-N 0 3 368.459 1.921 20 5 FDBDHN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCO1 ZINC000544462129 541771036 /nfs/dbraw/zinc/77/10/36/541771036.db2.gz QHDKLIQBYFEWOZ-GWCFXTLKSA-N 0 3 351.359 1.809 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000282530100 182023819 /nfs/dbraw/zinc/02/38/19/182023819.db2.gz BXZVXZOCAYOVTO-UHFFFAOYSA-N 0 3 366.393 1.829 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282628799 182034695 /nfs/dbraw/zinc/03/46/95/182034695.db2.gz SNEMQMYTCQLUOX-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCO1 ZINC000282880255 182070475 /nfs/dbraw/zinc/07/04/75/182070475.db2.gz VHIQUBOZNWEKSM-LLVKDONJSA-N 0 3 354.382 1.547 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1N1CCCC1 ZINC000283233284 182135401 /nfs/dbraw/zinc/13/54/01/182135401.db2.gz TUKKLYOEIKFAFG-LSDHHAIUSA-N 0 3 368.434 1.968 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000546150207 542110405 /nfs/dbraw/zinc/11/04/05/542110405.db2.gz PYQYVIDLGXZTMF-CQSZACIVSA-N 0 3 363.418 1.289 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286569677 183099794 /nfs/dbraw/zinc/09/97/94/183099794.db2.gz XMLYVQRXNUGJBE-OCCSQVGLSA-N 0 3 368.459 1.566 20 5 FDBDHN COc1cc(CN[C@@H]2CCCN(CCCO)C2)c([N+](=O)[O-])cc1OC ZINC000294681673 184000636 /nfs/dbraw/zinc/00/06/36/184000636.db2.gz BFVXPIQEYCFPIK-CQSZACIVSA-N 0 3 353.419 1.548 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCCN(CCCO)C1 ZINC000295372269 184063912 /nfs/dbraw/zinc/06/39/12/184063912.db2.gz GKAUFJFRQAQNGR-GFCCVEGCSA-N 0 3 355.366 1.076 20 5 FDBDHN C[C@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296544503 184176725 /nfs/dbraw/zinc/17/67/25/184176725.db2.gz FLNYHWHKELGQJM-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN CC1(C)C[C@H](NC[C@]2(O)CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296587655 184181125 /nfs/dbraw/zinc/18/11/25/184181125.db2.gz UTXRHCAVWDGTSE-GOEBONIOSA-N 0 3 354.428 1.456 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296939893 184217329 /nfs/dbraw/zinc/21/73/29/184217329.db2.gz NENFWOBMFKHYKE-BXUZGUMPSA-N 0 3 366.393 1.779 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000297837411 184339466 /nfs/dbraw/zinc/33/94/66/184339466.db2.gz KFTLBFLFSULLJA-UHFFFAOYSA-N 0 3 360.414 1.893 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000297956817 184363124 /nfs/dbraw/zinc/36/31/24/184363124.db2.gz LAAXQMYBMWJTPV-ZDUSSCGKSA-N 0 3 363.418 1.012 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](CO)CN1CCCCC1 ZINC000298124759 184396960 /nfs/dbraw/zinc/39/69/60/184396960.db2.gz BBWKRUBCIBQCTR-GFCCVEGCSA-N 0 3 355.366 1.076 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000547282722 542299974 /nfs/dbraw/zinc/29/99/74/542299974.db2.gz AMTXLBRSIDAHJB-AWEZNQCLSA-N 0 3 360.317 1.384 20 5 FDBDHN CCN(C[C@H]1CCCN1CC)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000548126715 542563627 /nfs/dbraw/zinc/56/36/27/542563627.db2.gz HETNIHJINQKKLU-MRXNPFEDSA-N 0 3 362.430 1.657 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549219109 542854353 /nfs/dbraw/zinc/85/43/53/542854353.db2.gz LZHYKXCOZWPQLC-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000549152086 542844344 /nfs/dbraw/zinc/84/43/44/542844344.db2.gz JPKFYLRZNPVEGD-OAHLLOKOSA-N 0 3 351.403 1.327 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCN(CC2CCC2)CC1 ZINC000549845317 542952309 /nfs/dbraw/zinc/95/23/09/542952309.db2.gz SHNULVBPPAOFAC-UHFFFAOYSA-N 0 3 374.441 1.659 20 5 FDBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137847 172073849 /nfs/dbraw/zinc/07/38/49/172073849.db2.gz QCYPIFHJFUOYHG-AWEZNQCLSA-N 0 3 366.487 1.687 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000075746183 172094441 /nfs/dbraw/zinc/09/44/41/172094441.db2.gz TYDMWEYLVBHOGV-OAHLLOKOSA-N 0 3 364.377 1.835 20 5 FDBDHN COc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000150788810 173381377 /nfs/dbraw/zinc/38/13/77/173381377.db2.gz IHSXUHTZIIPVAH-LLVKDONJSA-N 0 3 355.416 1.366 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000150819213 173382603 /nfs/dbraw/zinc/38/26/03/173382603.db2.gz AKLQYLUBOHANRT-YPMHNXCESA-N 0 3 357.432 1.564 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000150815439 173382704 /nfs/dbraw/zinc/38/27/04/173382704.db2.gz ZHVXZZWQBHBJKQ-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN CN(CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000176230778 174060032 /nfs/dbraw/zinc/06/00/32/174060032.db2.gz NUWNCWKBQLMCAR-UHFFFAOYSA-N 0 3 372.473 1.541 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181348479 174219395 /nfs/dbraw/zinc/21/93/95/174219395.db2.gz SYQNPDUCRRZUOG-CQSZACIVSA-N 0 3 362.430 1.598 20 5 FDBDHN COc1cc(C)c([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000179636345 258355135 /nfs/dbraw/zinc/35/51/35/258355135.db2.gz QYTBSELUXUSNBD-JSGCOSHPSA-N 0 3 364.402 1.829 20 5 FDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179648415 258355245 /nfs/dbraw/zinc/35/52/45/258355245.db2.gz QGEDMYPMKJQCMS-ZDUSSCGKSA-N 0 3 373.413 1.800 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000178820536 258336466 /nfs/dbraw/zinc/33/64/66/258336466.db2.gz JZGSVYWISQJEGS-HUUCEWRRSA-N 0 3 362.430 1.576 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000178978835 258341559 /nfs/dbraw/zinc/34/15/59/258341559.db2.gz LFYLKHQJYVOVMD-ABAIWWIYSA-N 0 3 357.432 1.789 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192919376 258392945 /nfs/dbraw/zinc/39/29/45/258392945.db2.gz MKUWGCHYGUOETQ-PHIMTYICSA-N 0 3 359.835 1.739 20 5 FDBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000553789796 543697304 /nfs/dbraw/zinc/69/73/04/543697304.db2.gz QVSKJVOVJQOYRM-UHFFFAOYSA-N 0 3 353.423 1.500 20 5 FDBDHN COC1CCN(C2(CNC(=O)c3c[nH]nc3[N+](=O)[O-])CCCC2)CC1 ZINC000554859447 543882309 /nfs/dbraw/zinc/88/23/09/543882309.db2.gz CTXHLXJXAXHVKM-UHFFFAOYSA-N 0 3 351.407 1.471 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000556084684 544092024 /nfs/dbraw/zinc/09/20/24/544092024.db2.gz XTSILBQMTRIZOT-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CCNC(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000558119336 544387196 /nfs/dbraw/zinc/38/71/96/544387196.db2.gz DHLKOWWSWMATBJ-INIZCTEOSA-N 0 3 373.409 1.874 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000293636127 258888254 /nfs/dbraw/zinc/88/82/54/258888254.db2.gz FUKSYDWGRMHCEF-GOSISDBHSA-N 0 3 370.413 1.652 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301154955 259021970 /nfs/dbraw/zinc/02/19/70/259021970.db2.gz PKJLXWLYVXPJRI-ZDUSSCGKSA-N 0 3 350.375 1.978 20 5 FDBDHN CCN1CCCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000301553671 259029628 /nfs/dbraw/zinc/02/96/28/259029628.db2.gz WBHUDVCMWZZOKW-UHFFFAOYSA-N 0 3 362.430 1.599 20 5 FDBDHN CN(C)CCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301698754 259032038 /nfs/dbraw/zinc/03/20/38/259032038.db2.gz RGHBXAHHIPSXFE-UHFFFAOYSA-N 0 3 363.418 1.364 20 5 FDBDHN CN(CC1CCN(c2ccncc2)CC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301923146 259036482 /nfs/dbraw/zinc/03/64/82/259036482.db2.gz LPOGLQSCYPQIEM-UHFFFAOYSA-N 0 3 370.413 1.837 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)C[C@H](C)O1 ZINC000330420555 259143722 /nfs/dbraw/zinc/14/37/22/259143722.db2.gz GNIPQZHTZARHFB-KBPBESRZSA-N 0 3 364.446 1.895 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000330821061 259164742 /nfs/dbraw/zinc/16/47/42/259164742.db2.gz OXQONKKUZQJOPU-STQMWFEESA-N 0 3 352.439 1.380 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000330895265 259167846 /nfs/dbraw/zinc/16/78/46/259167846.db2.gz RSGAVYIGZIMPDL-UHFFFAOYSA-N 0 3 364.450 1.116 20 5 FDBDHN Cc1[nH]nc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000330895265 259167847 /nfs/dbraw/zinc/16/78/47/259167847.db2.gz RSGAVYIGZIMPDL-UHFFFAOYSA-N 0 3 364.450 1.116 20 5 FDBDHN CS[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000331117279 259177056 /nfs/dbraw/zinc/17/70/56/259177056.db2.gz NYBIJVKIUHHFDR-KGLIPLIRSA-N 0 3 359.398 1.920 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000332317173 259257325 /nfs/dbraw/zinc/25/73/25/259257325.db2.gz UZCGQVSXRDKQQR-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C ZINC000332545257 259275818 /nfs/dbraw/zinc/27/58/18/259275818.db2.gz MKLKEMHFWIWFHH-CABCVRRESA-N 0 3 361.446 1.909 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cncnc2)cc1 ZINC000361029302 259447723 /nfs/dbraw/zinc/44/77/23/259447723.db2.gz JZAAQKASZNJQAI-FZKQIMNGSA-N 0 3 368.397 1.960 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC(C)(C)O)CC2)c1 ZINC000366681691 259959121 /nfs/dbraw/zinc/95/91/21/259959121.db2.gz PFUHJJLSCZSQPI-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000367826501 260097112 /nfs/dbraw/zinc/09/71/12/260097112.db2.gz ZKQOTVUGMUYZJB-ZDUSSCGKSA-N 0 3 359.835 1.977 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000368595353 260206487 /nfs/dbraw/zinc/20/64/87/260206487.db2.gz SMRXVYDBBNULJE-LRDDRELGSA-N 0 3 361.398 1.938 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368951505 260266271 /nfs/dbraw/zinc/26/62/71/260266271.db2.gz RBZRVGXEJARUFO-HNNXBMFYSA-N 0 3 364.446 1.702 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368971920 260270591 /nfs/dbraw/zinc/27/05/91/260270591.db2.gz DRKJVVFDHHFIFC-DXCKQFNASA-N 0 3 360.414 1.818 20 5 FDBDHN Cn1cc(CNC[C@H]2CN3CCC[C@H]3CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369036696 260282296 /nfs/dbraw/zinc/28/22/96/260282296.db2.gz QPEOLIPTMQKKEL-ROUUACIJSA-N 0 3 371.441 1.948 20 5 FDBDHN O=C(Nc1nccs1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372701444 260915802 /nfs/dbraw/zinc/91/58/02/260915802.db2.gz JLLXYLIFBATFFG-UHFFFAOYSA-N 0 3 350.404 1.599 20 5 FDBDHN CN1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC000373908834 261051872 /nfs/dbraw/zinc/05/18/72/261051872.db2.gz DLNJYDRUJVBTFV-MRXNPFEDSA-N 0 3 363.418 1.715 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN([C@@H](C)CO)CC2)c1 ZINC000373938484 261054009 /nfs/dbraw/zinc/05/40/09/261054009.db2.gz LZJILCOWQOPIQZ-HNNXBMFYSA-N 0 3 365.430 1.587 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374556204 261153447 /nfs/dbraw/zinc/15/34/47/261153447.db2.gz JWGATFZMHOWXRN-ROUUACIJSA-N 0 3 360.414 1.178 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000374905507 261223464 /nfs/dbraw/zinc/22/34/64/261223464.db2.gz YYUHQJYOZMYHLZ-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000375378875 261327043 /nfs/dbraw/zinc/32/70/43/261327043.db2.gz KEPOBOZLBOCLJT-VNHYZAJKSA-N 0 3 362.434 1.763 20 5 FDBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000375494126 261353470 /nfs/dbraw/zinc/35/34/70/261353470.db2.gz FGRWTOXUGLOQSQ-ZDUSSCGKSA-N 0 3 373.862 1.994 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccccc3CO)CC2)c1 ZINC000375571733 261373079 /nfs/dbraw/zinc/37/30/79/261373079.db2.gz NKXKEXLDWUSTOK-QGZVFWFLSA-N 0 3 360.414 1.524 20 5 FDBDHN COC(=O)c1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000270527776 674223321 /nfs/dbraw/zinc/22/33/21/674223321.db2.gz UWRKTMXOKPJXQP-KBPBESRZSA-N 0 3 367.427 1.499 20 5 FDBDHN CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000025899133 519089491 /nfs/dbraw/zinc/08/94/91/519089491.db2.gz KDOGXMJQJJCTGW-UHFFFAOYSA-N 0 3 357.414 1.744 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041923315 519672604 /nfs/dbraw/zinc/67/26/04/519672604.db2.gz GHLXGHCWFNYDQF-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000041966822 519674405 /nfs/dbraw/zinc/67/44/05/519674405.db2.gz RNSXKJGWTODVSC-UHFFFAOYSA-N 0 3 355.391 1.310 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c(C)c2)CC1 ZINC000043271945 521844608 /nfs/dbraw/zinc/84/46/08/521844608.db2.gz WKAISCGEHDGRMM-UHFFFAOYSA-N 0 3 372.429 1.880 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000057066273 521994887 /nfs/dbraw/zinc/99/48/87/521994887.db2.gz KVKUNMQUHNYPKV-UHFFFAOYSA-N 0 3 352.460 1.756 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000058860406 522306598 /nfs/dbraw/zinc/30/65/98/522306598.db2.gz VHPFQGLMGZZYHD-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN CCN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000076268184 523058753 /nfs/dbraw/zinc/05/87/53/523058753.db2.gz VDLKQMXTIKAOJK-UHFFFAOYSA-N 0 3 371.445 1.717 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000066464262 523066450 /nfs/dbraw/zinc/06/64/50/523066450.db2.gz UWTIXGKJHUDQGM-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000076295638 523070748 /nfs/dbraw/zinc/07/07/48/523070748.db2.gz FTHVFYVFHWTCCZ-AWEZNQCLSA-N 0 3 364.446 1.749 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000076408261 523102846 /nfs/dbraw/zinc/10/28/46/523102846.db2.gz DIUVTRFEONUMSE-CHWSQXEVSA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000052160009 523132178 /nfs/dbraw/zinc/13/21/78/523132178.db2.gz WWZXYIPWIDJTTK-RYUDHWBXSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000077291527 523286422 /nfs/dbraw/zinc/28/64/22/523286422.db2.gz WYIXLNWALADOSN-INIZCTEOSA-N 0 3 364.427 1.957 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000079709665 523785285 /nfs/dbraw/zinc/78/52/85/523785285.db2.gz DYZROESOKDLWEF-DZGCQCFKSA-N 0 3 358.402 1.356 20 5 FDBDHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000080116889 523836195 /nfs/dbraw/zinc/83/61/95/523836195.db2.gz FQCYNBXTAQQEOY-HZPDHXFCSA-N 0 3 362.430 1.992 20 5 FDBDHN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000110698375 524124741 /nfs/dbraw/zinc/12/47/41/524124741.db2.gz OGAVUBTUBKHIAZ-WCQYABFASA-N 0 3 364.402 1.391 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172138035 524130613 /nfs/dbraw/zinc/13/06/13/524130613.db2.gz JGXATUGSDMZAPV-SWLSCSKDSA-N 0 3 372.429 1.916 20 5 FDBDHN CC(C)N(CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(C)C ZINC000141237779 524328070 /nfs/dbraw/zinc/32/80/70/524328070.db2.gz HBOHPKHNDHBADA-UHFFFAOYSA-N 0 3 371.459 1.847 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000142470739 524351855 /nfs/dbraw/zinc/35/18/55/524351855.db2.gz SOHPXVDRFAXKCV-UHFFFAOYSA-N 0 3 374.401 1.016 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000112294191 524449592 /nfs/dbraw/zinc/44/95/92/524449592.db2.gz PVONHVVNDJLDRR-UHFFFAOYSA-N 0 3 360.370 1.409 20 5 FDBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000122233915 524488129 /nfs/dbraw/zinc/48/81/29/524488129.db2.gz AJQXHUDOGHCBTB-AWEZNQCLSA-N 0 3 364.446 1.773 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173943000 524490960 /nfs/dbraw/zinc/49/09/60/524490960.db2.gz SDBNLXXVSIEDQI-UHFFFAOYSA-N 0 3 362.390 1.683 20 5 FDBDHN CC1(C)C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000090015350 524574272 /nfs/dbraw/zinc/57/42/72/524574272.db2.gz WJNUFMBRMBMAJX-CQSZACIVSA-N 0 3 371.459 1.809 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000151657568 524646481 /nfs/dbraw/zinc/64/64/81/524646481.db2.gz JKRHZYDRBAUTIO-GOEBONIOSA-N 0 3 372.429 1.754 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159361803 524652105 /nfs/dbraw/zinc/65/21/05/524652105.db2.gz NMFFBTJIQOQKFW-LJQANCHMSA-N 0 3 369.421 1.673 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000123172032 524696817 /nfs/dbraw/zinc/69/68/17/524696817.db2.gz PGAMOTSDJGUNGQ-UHFFFAOYSA-N 0 3 371.441 1.900 20 5 FDBDHN CN(C)CCN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114676254 524847996 /nfs/dbraw/zinc/84/79/96/524847996.db2.gz GRGYYGPEGNPWAU-UHFFFAOYSA-N 0 3 363.462 1.493 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000152411436 524877830 /nfs/dbraw/zinc/87/78/30/524877830.db2.gz GNTWCGRPWJTKHN-UHFFFAOYSA-N 0 3 354.363 1.510 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CCN(CCO)CC1 ZINC000160619946 524932143 /nfs/dbraw/zinc/93/21/43/524932143.db2.gz CRUVUQWGENIZKU-UHFFFAOYSA-N 0 3 350.419 1.217 20 5 FDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124424970 524984216 /nfs/dbraw/zinc/98/42/16/524984216.db2.gz WNDTVWXIKFJSEF-SNVBAGLBSA-N 0 3 355.338 1.875 20 5 FDBDHN CC(C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000161471696 525116492 /nfs/dbraw/zinc/11/64/92/525116492.db2.gz QQBSNRUJFXFWFJ-OAHLLOKOSA-N 0 3 364.446 1.629 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153189015 525135794 /nfs/dbraw/zinc/13/57/94/525135794.db2.gz WEVPHUFMZMRGKC-INIZCTEOSA-N 0 3 364.427 1.761 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(CCCc2ccccc2)CC1 ZINC000101531561 525226760 /nfs/dbraw/zinc/22/67/60/525226760.db2.gz TWMCZXNRQBABDB-UHFFFAOYSA-N 0 3 372.429 1.353 20 5 FDBDHN COc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000126705901 525344398 /nfs/dbraw/zinc/34/43/98/525344398.db2.gz XUUBOZDFSJBGFT-MRXNPFEDSA-N 0 3 373.413 1.753 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000103976456 525382240 /nfs/dbraw/zinc/38/22/40/525382240.db2.gz VHIIZUAFOJOGRR-CQSZACIVSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104532818 525416788 /nfs/dbraw/zinc/41/67/88/525416788.db2.gz PCIOVLMDIWOXMF-UHFFFAOYSA-N 0 3 363.462 1.735 20 5 FDBDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000118101673 525443709 /nfs/dbraw/zinc/44/37/09/525443709.db2.gz HMQRSZOKMQGDDN-ZDUSSCGKSA-N 0 3 354.794 1.643 20 5 FDBDHN Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000127955242 525485851 /nfs/dbraw/zinc/48/58/51/525485851.db2.gz YNZFFYFVHXAFJC-HNNXBMFYSA-N 0 3 364.446 1.726 20 5 FDBDHN O=C(CCN1CCN(C[C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000178830269 525488450 /nfs/dbraw/zinc/48/84/50/525488450.db2.gz VVOICVOYUZBFNQ-OAHLLOKOSA-N 0 3 362.430 1.578 20 5 FDBDHN CN(C)Cc1cccc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000128232978 525519144 /nfs/dbraw/zinc/51/91/44/525519144.db2.gz MHDZCJJHYIFCTD-UHFFFAOYSA-N 0 3 370.409 1.703 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164690787 525525013 /nfs/dbraw/zinc/52/50/13/525525013.db2.gz VIVGZGWCDWKTQU-CVEARBPZSA-N 0 3 367.471 1.883 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118965789 525589797 /nfs/dbraw/zinc/58/97/97/525589797.db2.gz NQAACCYIVSQFGH-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179748727 525622563 /nfs/dbraw/zinc/62/25/63/525622563.db2.gz DBHZKLJVCPTAGG-YJBOKZPZSA-N 0 3 374.397 1.664 20 5 FDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000106785561 525783158 /nfs/dbraw/zinc/78/31/58/525783158.db2.gz YBXLLQDTHNGSQT-AWEZNQCLSA-N 0 3 370.413 1.922 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000155325072 525825679 /nfs/dbraw/zinc/82/56/79/525825679.db2.gz QDWCBPBBZNMAQD-UHFFFAOYSA-N 0 3 372.429 1.100 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132081390 525933800 /nfs/dbraw/zinc/93/38/00/525933800.db2.gz VLKDVMCBCSXREE-ZBFHGGJFSA-N 0 3 372.429 1.698 20 5 FDBDHN O=C(CCN1CCC(Cn2ccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000155834364 525987362 /nfs/dbraw/zinc/98/73/62/525987362.db2.gz WBVRZKRNDGCEHU-UHFFFAOYSA-N 0 3 358.402 1.927 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182053945 526037100 /nfs/dbraw/zinc/03/71/00/526037100.db2.gz UHMWUOQTTYKVCD-MLGOLLRUSA-N 0 3 357.374 1.084 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000120468495 526076125 /nfs/dbraw/zinc/07/61/25/526076125.db2.gz RXCWXGZONZIOOY-OCCSQVGLSA-N 0 3 351.403 1.781 20 5 FDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182557162 526205917 /nfs/dbraw/zinc/20/59/17/526205917.db2.gz WMNWWRWZYZCVKO-LBPRGKRZSA-N 0 3 373.356 1.773 20 5 FDBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000183516875 535995635 /nfs/dbraw/zinc/99/56/35/535995635.db2.gz QZBJBPRAHYPYBN-CQSZACIVSA-N 0 3 355.460 1.789 20 5 FDBDHN CCOc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184390419 536144365 /nfs/dbraw/zinc/14/43/65/536144365.db2.gz JKTDBEPHGVNDDE-AWEZNQCLSA-N 0 3 364.446 1.749 20 5 FDBDHN CCN1CCN(CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184926533 536191953 /nfs/dbraw/zinc/19/19/53/536191953.db2.gz UNHXMNSWDPHPCN-ZDUSSCGKSA-N 0 3 352.410 1.591 20 5 FDBDHN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](c1ccccc1)N(C)C ZINC000187199169 536257262 /nfs/dbraw/zinc/25/72/62/536257262.db2.gz DUSFUSAFVOBGHN-ACJLOTCBSA-N 0 3 358.398 1.564 20 5 FDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000187462555 536266933 /nfs/dbraw/zinc/26/69/33/536266933.db2.gz RZBCLSRTGCHKBZ-INIZCTEOSA-N 0 3 357.414 1.818 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189114763 536999805 /nfs/dbraw/zinc/99/98/05/536999805.db2.gz JXVOFLKCDPVOHQ-CQSZACIVSA-N 0 3 370.475 1.040 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000246837091 537036238 /nfs/dbraw/zinc/03/62/38/537036238.db2.gz AKLQYLUBOHANRT-DGCLKSJQSA-N 0 3 357.432 1.564 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189407463 537042372 /nfs/dbraw/zinc/04/23/72/537042372.db2.gz ATFXCIOFHMQCLT-ZBFHGGJFSA-N 0 3 367.446 1.112 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000263645708 537050492 /nfs/dbraw/zinc/05/04/92/537050492.db2.gz CEJYWGKRRSUYJT-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000263669171 537059635 /nfs/dbraw/zinc/05/96/35/537059635.db2.gz IJCSOEDDLPGMDF-INIZCTEOSA-N 0 3 362.430 1.196 20 5 FDBDHN Cc1cccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263676709 537062234 /nfs/dbraw/zinc/06/22/34/537062234.db2.gz GCSCJWVKJPBXCB-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000247220448 537096932 /nfs/dbraw/zinc/09/69/32/537096932.db2.gz CSRNPKBVEPROTM-HUUCEWRRSA-N 0 3 360.370 1.718 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000247220432 537096989 /nfs/dbraw/zinc/09/69/89/537096989.db2.gz CSRNPKBVEPROTM-CABCVRRESA-N 0 3 360.370 1.718 20 5 FDBDHN CCN(CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000263781625 537097998 /nfs/dbraw/zinc/09/79/98/537097998.db2.gz VSUDQLAXGFGFFK-UHFFFAOYSA-N 0 3 366.443 1.386 20 5 FDBDHN CCOCCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000276151622 537305054 /nfs/dbraw/zinc/30/50/54/537305054.db2.gz GNOPXOIGIDJZOA-UHFFFAOYSA-N 0 3 369.418 1.917 20 5 FDBDHN COc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278488082 537337129 /nfs/dbraw/zinc/33/71/29/537337129.db2.gz KWUAHJOHUQLJJT-ZDUSSCGKSA-N 0 3 351.403 1.834 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272946909 537364488 /nfs/dbraw/zinc/36/44/88/537364488.db2.gz PUVGGHLXXWUZOV-ZDUSSCGKSA-N 0 3 364.402 1.533 20 5 FDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280244332 537391172 /nfs/dbraw/zinc/39/11/72/537391172.db2.gz BBTAOXHFPMLUMC-WMZOPIPTSA-N 0 3 373.409 1.883 20 5 FDBDHN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000290735271 537399271 /nfs/dbraw/zinc/39/92/71/537399271.db2.gz GKDVFTIGVKLGCY-AWEZNQCLSA-N 0 3 355.398 1.799 20 5 FDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000280582785 537432071 /nfs/dbraw/zinc/43/20/71/537432071.db2.gz SYUVTPOBIJVVHZ-WBVHZDCISA-N 0 3 373.409 1.883 20 5 FDBDHN COCCCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271489739 537448923 /nfs/dbraw/zinc/44/89/23/537448923.db2.gz HZKWZOIZFJIFTC-UHFFFAOYSA-N 0 3 369.418 1.917 20 5 FDBDHN NC(=O)c1ccnc(NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000290932084 537475273 /nfs/dbraw/zinc/47/52/73/537475273.db2.gz JZSITXNLYAAAHB-UHFFFAOYSA-N 0 3 356.386 1.812 20 5 FDBDHN C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293661420 537554057 /nfs/dbraw/zinc/55/40/57/537554057.db2.gz JJCHRSSWQUOMRJ-AWEZNQCLSA-N 0 3 374.441 1.657 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293913989 537623575 /nfs/dbraw/zinc/62/35/75/537623575.db2.gz IARWXKWWACCTPQ-LIRRHRJNSA-N 0 3 374.441 1.657 20 5 FDBDHN Cn1cc(CNCCCS(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237783846 537639853 /nfs/dbraw/zinc/63/98/53/537639853.db2.gz IKXNNVYNTVRGDO-UHFFFAOYSA-N 0 3 352.416 1.520 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000416484477 537867307 /nfs/dbraw/zinc/86/73/07/537867307.db2.gz UGKIANWAQMSCSE-LLVKDONJSA-N 0 3 373.431 1.388 20 5 FDBDHN CN1C(=O)C[C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccc(F)cc1 ZINC000372805539 538034046 /nfs/dbraw/zinc/03/40/46/538034046.db2.gz OFXUCGNOUBAUPR-QAPCUYQASA-N 0 3 374.372 1.457 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451141017 538198291 /nfs/dbraw/zinc/19/82/91/538198291.db2.gz HDHDYIKZDCGXJM-IRXDYDNUSA-N 0 3 362.430 1.637 20 5 FDBDHN Cc1c(NC(=O)CCN(C)[C@@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433154177 538203898 /nfs/dbraw/zinc/20/38/98/538203898.db2.gz SNCMCKWESCSFGZ-AWEZNQCLSA-N 0 3 353.419 1.950 20 5 FDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000440507679 538249710 /nfs/dbraw/zinc/24/97/10/538249710.db2.gz SHYOBOQAQPPXKR-IBGZPJMESA-N 0 3 355.394 1.962 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424228710 538261429 /nfs/dbraw/zinc/26/14/29/538261429.db2.gz UFDYSHLFVBUJSY-LSDHHAIUSA-N 0 3 359.386 1.294 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000441049326 538303461 /nfs/dbraw/zinc/30/34/61/538303461.db2.gz LIDXAWJWWVCGOK-SMDDNHRTSA-N 0 3 364.402 1.341 20 5 FDBDHN NC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccccc21 ZINC000451714780 538310423 /nfs/dbraw/zinc/31/04/23/538310423.db2.gz PSRJYNFAOCKHSS-HNNXBMFYSA-N 0 3 359.386 1.493 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452356159 538379069 /nfs/dbraw/zinc/37/90/69/538379069.db2.gz ZPCQTTCUEHTMGX-INIZCTEOSA-N 0 3 373.413 1.357 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)nc2c1 ZINC000447670250 538391950 /nfs/dbraw/zinc/39/19/50/538391950.db2.gz LZMLMMZKRIALLX-JKSUJKDBSA-N 0 3 367.409 1.940 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000500771658 538539672 /nfs/dbraw/zinc/53/96/72/538539672.db2.gz FUZZAXQEUZVTPU-UHFFFAOYSA-N 0 3 360.418 1.475 20 5 FDBDHN CCc1nn(C)c(NCCCN2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000560618706 545557661 /nfs/dbraw/zinc/55/76/61/545557661.db2.gz LQBBEJIPMAGDBF-UHFFFAOYSA-N 0 3 353.423 1.578 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000472735032 538689002 /nfs/dbraw/zinc/68/90/02/538689002.db2.gz KKOORJZISBTJHI-SNVBAGLBSA-N 0 3 350.350 1.439 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488525268 538742948 /nfs/dbraw/zinc/74/29/48/538742948.db2.gz XOXYKXGWHCJCBD-HIFRSBDPSA-N 0 3 358.402 1.213 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc21 ZINC000500050173 538872457 /nfs/dbraw/zinc/87/24/57/538872457.db2.gz NQYCMVHSTWOIHU-UHFFFAOYSA-N 0 3 373.369 1.655 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561568029 545898795 /nfs/dbraw/zinc/89/87/95/545898795.db2.gz NLESKDYDLDNPLF-INIZCTEOSA-N 0 3 364.446 1.890 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000562509000 546161226 /nfs/dbraw/zinc/16/12/26/546161226.db2.gz HNOHQDXJJFGOBH-GFCCVEGCSA-N 0 3 364.402 1.390 20 5 FDBDHN N[C@@H]1C[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433167 546533644 /nfs/dbraw/zinc/53/36/44/546533644.db2.gz QYYJXEIEYKLYNJ-GOEBONIOSA-N 0 3 356.382 1.599 20 5 FDBDHN C[C@@H]1CN(CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCCO1 ZINC000563701108 546651780 /nfs/dbraw/zinc/65/17/80/546651780.db2.gz WYPSWSTVMHRDBN-GFCCVEGCSA-N 0 3 372.447 1.155 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000564022220 546776714 /nfs/dbraw/zinc/77/67/14/546776714.db2.gz HEWWPJKZLKFKQF-UHFFFAOYSA-N 0 3 350.419 1.368 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000564050608 546786566 /nfs/dbraw/zinc/78/65/66/546786566.db2.gz NVLWDKSDSFMFGU-ZFWWWQNUSA-N 0 3 350.467 1.582 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2Cn2cccn2)c1 ZINC000564565277 546954609 /nfs/dbraw/zinc/95/46/09/546954609.db2.gz VBBXSOPUPRBITJ-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Br)c(F)c2)c1 ZINC000564651386 546989059 /nfs/dbraw/zinc/98/90/59/546989059.db2.gz IRMYMFJEABZQOK-NSHDSACASA-N 0 3 373.182 1.844 20 5 FDBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000564847638 547064834 /nfs/dbraw/zinc/06/48/34/547064834.db2.gz OVMRVRVTWBRVCM-CYBMUJFWSA-N 0 3 353.766 1.034 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000565635179 547426114 /nfs/dbraw/zinc/42/61/14/547426114.db2.gz ZLLUTYVJCIROCC-ZDUSSCGKSA-N 0 3 350.423 1.480 20 5 FDBDHN CCCN1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000567693473 548217160 /nfs/dbraw/zinc/21/71/60/548217160.db2.gz TZRUBHGLDOGRTO-ZDUSSCGKSA-N 0 3 369.443 1.217 20 5 FDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000567858538 548293397 /nfs/dbraw/zinc/29/33/97/548293397.db2.gz BYBBCNFTDGZHDH-LBPRGKRZSA-N 0 3 353.425 1.903 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)CN(C)C ZINC000568501777 548563155 /nfs/dbraw/zinc/56/31/55/548563155.db2.gz DGEZTPFSWAHMBG-CYBMUJFWSA-N 0 3 357.476 1.934 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C)C[C@@H]1CN ZINC000568512038 548569085 /nfs/dbraw/zinc/56/90/85/548569085.db2.gz GSDALVXPKPYIFQ-JQWIXIFHSA-N 0 3 356.810 1.117 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000568602052 548599892 /nfs/dbraw/zinc/59/98/92/548599892.db2.gz IJDVSMPBYQXLAR-CQSZACIVSA-N 0 3 360.414 1.847 20 5 FDBDHN CN(C)C(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000569048406 548778282 /nfs/dbraw/zinc/77/82/82/548778282.db2.gz RCQBFNKZMXJPTJ-MRXNPFEDSA-N 0 3 373.409 1.826 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCCN2C2CC2)cc1 ZINC000569232095 548844402 /nfs/dbraw/zinc/84/44/02/548844402.db2.gz IUUSNNTYURHEKQ-INIZCTEOSA-N 0 3 367.471 1.975 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(N3CCCCC3)nc2)c1 ZINC000570675402 549370272 /nfs/dbraw/zinc/37/02/72/549370272.db2.gz KOAPJROINOBCPT-INIZCTEOSA-N 0 3 360.418 1.327 20 5 FDBDHN C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000571495848 549664543 /nfs/dbraw/zinc/66/45/43/549664543.db2.gz OIIYWLOHCXEXND-HNNXBMFYSA-N 0 3 363.462 1.983 20 5 FDBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000571671707 549729857 /nfs/dbraw/zinc/72/98/57/549729857.db2.gz DTZONVJQCLNYLQ-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000572973333 550035705 /nfs/dbraw/zinc/03/57/05/550035705.db2.gz UUFQQEODGJSMPI-LBPRGKRZSA-N 0 3 366.443 1.283 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]12CCNC2=O ZINC000573104768 550065287 /nfs/dbraw/zinc/06/52/87/550065287.db2.gz DAXSOTNWJDYKHE-KRWDZBQOSA-N 0 3 362.386 1.287 20 5 FDBDHN CNc1nccc(C(=O)N(CCCOC)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000573933542 550234322 /nfs/dbraw/zinc/23/43/22/550234322.db2.gz HKSUNFBYEDBVQU-UHFFFAOYSA-N 0 3 365.434 1.604 20 5 FDBDHN COc1ccc(CC(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000574891917 550387666 /nfs/dbraw/zinc/38/76/66/550387666.db2.gz ZXMGYIWGNYADLG-AWEZNQCLSA-N 0 3 365.430 1.763 20 5 FDBDHN N[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000577851448 550701854 /nfs/dbraw/zinc/70/18/54/550701854.db2.gz CNSBUPOUAHQJEC-LSDHHAIUSA-N 0 3 374.372 1.239 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000578414062 550761044 /nfs/dbraw/zinc/76/10/44/550761044.db2.gz FINMWESLXQALIZ-DOMZBBRYSA-N 0 3 374.397 1.445 20 5 FDBDHN CSC1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000579412468 550870453 /nfs/dbraw/zinc/87/04/53/550870453.db2.gz UOOIGPSYEGSWRI-UHFFFAOYSA-N 0 3 373.500 1.842 20 5 FDBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(N2CCCC2)n1 ZINC000581007484 551042249 /nfs/dbraw/zinc/04/22/49/551042249.db2.gz LAQQXQFKWYFVAS-MRXNPFEDSA-N 0 3 360.418 1.246 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)n1 ZINC000581327491 551076823 /nfs/dbraw/zinc/07/68/23/551076823.db2.gz DCAXDSMDDLZNJE-UHFFFAOYSA-N 0 3 352.391 1.323 20 5 FDBDHN CC(C)(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000581603446 551110368 /nfs/dbraw/zinc/11/03/68/551110368.db2.gz XLOIMTUDFYTWQB-CYBMUJFWSA-N 0 3 360.432 1.137 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCOc3c(F)cccc32)c1 ZINC000581939596 551152594 /nfs/dbraw/zinc/15/25/94/551152594.db2.gz OVRGKNUNFZKLKX-DOMZBBRYSA-N 0 3 350.350 1.795 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCOc3c(F)cccc32)c1 ZINC000581939599 551152600 /nfs/dbraw/zinc/15/26/00/551152600.db2.gz OVRGKNUNFZKLKX-WFASDCNBSA-N 0 3 350.350 1.795 20 5 FDBDHN COc1ccc2c(c1)OC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000581998217 551160716 /nfs/dbraw/zinc/16/07/16/551160716.db2.gz AGJODRJBLIFWDF-HOCLYGCPSA-N 0 3 374.393 1.936 20 5 FDBDHN COCCNCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000583441427 551352336 /nfs/dbraw/zinc/35/23/36/551352336.db2.gz BPCPDHOHGUKFFG-UHFFFAOYSA-N 0 3 350.419 1.163 20 5 FDBDHN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)NC1CCN(C2CC2)CC1 ZINC000583924057 551421665 /nfs/dbraw/zinc/42/16/65/551421665.db2.gz DPOFKTQLXLSUFV-UHFFFAOYSA-N 0 3 359.430 1.091 20 5 FDBDHN C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584694556 551531170 /nfs/dbraw/zinc/53/11/70/551531170.db2.gz DFMIJGRAIYDZQG-RHSMWYFYSA-N 0 3 374.441 1.463 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590444965 551785327 /nfs/dbraw/zinc/78/53/27/551785327.db2.gz OPZILCJHEJPNOR-IUODEOHRSA-N 0 3 356.386 1.260 20 5 FDBDHN CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000590565336 551793052 /nfs/dbraw/zinc/79/30/52/551793052.db2.gz KXTHBOLOHSMDRG-DOTOQJQBSA-N 0 3 362.430 1.353 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000590632638 551800277 /nfs/dbraw/zinc/80/02/77/551800277.db2.gz ZYKSUUHLWYMVPL-OAHLLOKOSA-N 0 3 355.398 1.995 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000590752245 551812119 /nfs/dbraw/zinc/81/21/19/551812119.db2.gz IMFGHRZIRUFNPS-NEPJUHHUSA-N 0 3 351.359 1.473 20 5 FDBDHN O=C(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000591727487 551904036 /nfs/dbraw/zinc/90/40/36/551904036.db2.gz CLMPLSFNUYRJNF-HNNXBMFYSA-N 0 3 365.430 1.763 20 5 FDBDHN CN(C)[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000591740099 551905174 /nfs/dbraw/zinc/90/51/74/551905174.db2.gz UXZSLZDGWRFGMH-DOMZBBRYSA-N 0 3 369.372 1.323 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(CO)c(F)c1 ZINC000591754768 551906367 /nfs/dbraw/zinc/90/63/67/551906367.db2.gz VQPNKKQCIDWSLT-CQSZACIVSA-N 0 3 350.346 1.756 20 5 FDBDHN CN1C[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H](c2ccccc2)C1 ZINC000591987152 551923747 /nfs/dbraw/zinc/92/37/47/551923747.db2.gz WRWLWGXTMMRIJA-CJNGLKHVSA-N 0 3 355.398 1.846 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592251038 551967409 /nfs/dbraw/zinc/96/74/09/551967409.db2.gz BTLIVTUWXPSXIY-CYBMUJFWSA-N 0 3 363.418 1.795 20 5 FDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592879746 552038394 /nfs/dbraw/zinc/03/83/94/552038394.db2.gz CCUPLNYKYZUZPT-CABCVRRESA-N 0 3 357.414 1.712 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000593020079 552053581 /nfs/dbraw/zinc/05/35/81/552053581.db2.gz ISACSCJJGVZAKU-HUUCEWRRSA-N 0 3 353.444 1.859 20 5 FDBDHN CCOc1cc(CN2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593049452 552056096 /nfs/dbraw/zinc/05/60/96/552056096.db2.gz ABLXZZWQYNKYOB-UHFFFAOYSA-N 0 3 350.419 1.199 20 5 FDBDHN C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593313989 552088020 /nfs/dbraw/zinc/08/80/20/552088020.db2.gz BLBAAIOPHQJEQG-CYBMUJFWSA-N 0 3 363.418 1.071 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1=O ZINC000593486383 552116328 /nfs/dbraw/zinc/11/63/28/552116328.db2.gz VADRULYGCAUFQK-UHFFFAOYSA-N 0 3 358.345 1.406 20 5 FDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559793 552133914 /nfs/dbraw/zinc/13/39/14/552133914.db2.gz OBQUSTMEBGLUKX-JHJVBQTASA-N 0 3 356.448 1.635 20 5 FDBDHN COCC[N@@H+]1CCN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])C(C)(C)C1 ZINC000593875757 552214952 /nfs/dbraw/zinc/21/49/52/552214952.db2.gz LKETZXSZEJNHEJ-UHFFFAOYSA-N 0 3 353.423 1.624 20 5 FDBDHN COCC[N@H+]1CCN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])C(C)(C)C1 ZINC000593875757 552214953 /nfs/dbraw/zinc/21/49/53/552214953.db2.gz LKETZXSZEJNHEJ-UHFFFAOYSA-N 0 3 353.423 1.624 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594418174 552306567 /nfs/dbraw/zinc/30/65/67/552306567.db2.gz GVIPBASAOVKSPO-JQFCIGGWSA-N 0 3 374.441 1.846 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594597000 552338711 /nfs/dbraw/zinc/33/87/11/552338711.db2.gz BWLVRHWAIMGRBN-JSGCOSHPSA-N 0 3 354.432 1.671 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCCS1(=O)=O ZINC000595016302 552437496 /nfs/dbraw/zinc/43/74/96/552437496.db2.gz WYJQQQRXLOCMDI-LBPRGKRZSA-N 0 3 357.432 1.680 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2COC3(CCC3)C2)c1 ZINC000595017989 552437875 /nfs/dbraw/zinc/43/78/75/552437875.db2.gz ZEMRYXUYNYHQNJ-GFCCVEGCSA-N 0 3 355.416 1.174 20 5 FDBDHN COC1([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000595017948 552437970 /nfs/dbraw/zinc/43/79/70/552437970.db2.gz YDTUZWABIPUFEK-LBPRGKRZSA-N 0 3 357.432 1.420 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595302089 552516988 /nfs/dbraw/zinc/51/69/88/552516988.db2.gz JQZYTTNWUPWUDF-UHFFFAOYSA-N 0 3 352.410 1.720 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000595535279 552580016 /nfs/dbraw/zinc/58/00/16/552580016.db2.gz MBVLMVNRSCWODO-LBPRGKRZSA-N 0 3 364.402 1.678 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595631488 552595491 /nfs/dbraw/zinc/59/54/91/552595491.db2.gz JCWBGDLPWPJJLU-IAOVAPTHSA-N 0 3 365.430 1.713 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595729931 552607555 /nfs/dbraw/zinc/60/75/55/552607555.db2.gz WZZIXHOFYKHURJ-TZMCWYRMSA-N 0 3 374.397 1.493 20 5 FDBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596219394 552665861 /nfs/dbraw/zinc/66/58/61/552665861.db2.gz RLAHCPVOANTTTN-UHFFFAOYSA-N 0 3 357.370 1.424 20 5 FDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596425459 552678118 /nfs/dbraw/zinc/67/81/18/552678118.db2.gz YPLAJLBVTBGZJJ-OAHLLOKOSA-N 0 3 370.409 1.872 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597301301 552771922 /nfs/dbraw/zinc/77/19/22/552771922.db2.gz NZPSIQBILJRSPU-CQSZACIVSA-N 0 3 362.430 1.508 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597575305 552807147 /nfs/dbraw/zinc/80/71/47/552807147.db2.gz XACZUQZXGVBUDV-INIZCTEOSA-N 0 3 373.356 1.725 20 5 FDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000597715585 552825980 /nfs/dbraw/zinc/82/59/80/552825980.db2.gz MZINJDNYOGZVIS-SFHVURJKSA-N 0 3 370.413 1.733 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597859786 552841546 /nfs/dbraw/zinc/84/15/46/552841546.db2.gz XXHGFFMLUUJZMS-NSHDSACASA-N 0 3 374.397 1.180 20 5 FDBDHN CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598042543 552860082 /nfs/dbraw/zinc/86/00/82/552860082.db2.gz PMXYCKHBSYLYFL-BBRMVZONSA-N 0 3 362.430 1.656 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000598342831 552887249 /nfs/dbraw/zinc/88/72/49/552887249.db2.gz QNQUCSRCSPEKHV-CYBMUJFWSA-N 0 3 374.397 1.462 20 5 FDBDHN CC(C)[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC1 ZINC000598585779 552911721 /nfs/dbraw/zinc/91/17/21/552911721.db2.gz ACZNDNVKJLFUCU-CQSZACIVSA-N 0 3 364.450 1.754 20 5 FDBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000598591649 552912664 /nfs/dbraw/zinc/91/26/64/552912664.db2.gz XOURCCSDOSUEFC-UONOGXRCSA-N 0 3 364.450 1.896 20 5 FDBDHN CC1(C)CCCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598620803 552916763 /nfs/dbraw/zinc/91/67/63/552916763.db2.gz FUYYUXXQYOCBIF-UHFFFAOYSA-N 0 3 364.450 1.755 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)N[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599105862 552968298 /nfs/dbraw/zinc/96/82/98/552968298.db2.gz QOVWYQWDDMKRFP-BETUJISGSA-N 0 3 370.475 1.812 20 5 FDBDHN CN1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599389975 553042794 /nfs/dbraw/zinc/04/27/94/553042794.db2.gz CYDXSDDFMVJRBW-GFCCVEGCSA-N 0 3 361.377 1.991 20 5 FDBDHN CC1(N2CCOCC2)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000599623745 553106696 /nfs/dbraw/zinc/10/66/96/553106696.db2.gz WPCYNBDBZSDLMW-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN CC(C)(C(=O)N1CCC(N2CCCOCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000600006796 553198136 /nfs/dbraw/zinc/19/81/36/553198136.db2.gz HULHQOLXHUIQOU-UHFFFAOYSA-N 0 3 365.434 1.240 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CCCOCC3)CC2)c1 ZINC000600007735 553198492 /nfs/dbraw/zinc/19/84/92/553198492.db2.gz ZFANIISXLBAMLU-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600061251 553210789 /nfs/dbraw/zinc/21/07/89/553210789.db2.gz CUJPUQCWFKBZRS-OAHLLOKOSA-N 0 3 360.414 1.975 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000600746009 553310353 /nfs/dbraw/zinc/31/03/53/553310353.db2.gz JWPPHZQXMXINRH-GXTWGEPZSA-N 0 3 374.319 1.924 20 5 FDBDHN CCN1CCN(CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601104456 553347964 /nfs/dbraw/zinc/34/79/64/553347964.db2.gz XXWRPXMCMPZVBJ-UHFFFAOYSA-N 0 3 364.372 1.787 20 5 FDBDHN CN1CC[C@](O)(CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602612380 553611628 /nfs/dbraw/zinc/61/16/28/553611628.db2.gz PJKITJVUVNLCID-NSHDSACASA-N 0 3 350.238 1.575 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000609347475 554370710 /nfs/dbraw/zinc/37/07/10/554370710.db2.gz NIYZSDFJUBWDFK-UHFFFAOYSA-N 0 3 368.409 1.935 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609354037 554371970 /nfs/dbraw/zinc/37/19/70/554371970.db2.gz HZTSXSNKEAMQLC-TXEJJXNPSA-N 0 3 356.448 1.917 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCC[C@H]1C ZINC000609841302 554427797 /nfs/dbraw/zinc/42/77/97/554427797.db2.gz MWICYPCIOZEXCL-TZMCWYRMSA-N 0 3 366.466 1.818 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610520708 554521877 /nfs/dbraw/zinc/52/18/77/554521877.db2.gz JITFVAAGSQLOHB-UHFFFAOYSA-N 0 3 356.386 1.576 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610654087 554544867 /nfs/dbraw/zinc/54/48/67/554544867.db2.gz UIUINWPIUJYKGR-AAEUAGOBSA-N 0 3 361.398 1.650 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)C(C)(C)C1 ZINC000614920871 555137336 /nfs/dbraw/zinc/13/73/36/555137336.db2.gz WFQXZLIOKTUSIF-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN CN1CCC[C@@H](N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618286821 555604584 /nfs/dbraw/zinc/60/45/84/555604584.db2.gz MHKZJKUFEUBNDE-OAHLLOKOSA-N 0 3 358.446 1.683 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000618924251 555696699 /nfs/dbraw/zinc/69/66/99/555696699.db2.gz SFBCYLMITXQXSU-GUYCJALGSA-N 0 3 367.471 1.991 20 5 FDBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000366031338 568259347 /nfs/dbraw/zinc/25/93/47/568259347.db2.gz FCBHYFNKJSGFRP-ZDUSSCGKSA-N 0 3 350.394 1.632 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272300667 674429523 /nfs/dbraw/zinc/42/95/23/674429523.db2.gz IUJSGFUCUCCOPZ-UHFFFAOYSA-N 0 3 361.345 1.846 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369355 599531194 /nfs/dbraw/zinc/53/11/94/599531194.db2.gz LRMILYTXADSOFC-LBPRGKRZSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369355 599531197 /nfs/dbraw/zinc/53/11/97/599531197.db2.gz LRMILYTXADSOFC-LBPRGKRZSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650886 606403459 /nfs/dbraw/zinc/40/34/59/606403459.db2.gz CRDWBZANKAUOGF-UHFFFAOYSA-N 0 3 358.406 1.989 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823650886 606403461 /nfs/dbraw/zinc/40/34/61/606403461.db2.gz CRDWBZANKAUOGF-UHFFFAOYSA-N 0 3 358.406 1.989 20 5 FDBDHN COCCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000291868599 676272958 /nfs/dbraw/zinc/27/29/58/676272958.db2.gz LBSVUEJOTCNDDA-UHFFFAOYSA-N 0 3 350.419 1.750 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000298624657 676483246 /nfs/dbraw/zinc/48/32/46/676483246.db2.gz POZFLFPLIYZJFU-AWEZNQCLSA-N 0 3 351.403 1.327 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000365258914 677355983 /nfs/dbraw/zinc/35/59/83/677355983.db2.gz YBUILXMUSLINTI-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000378319375 678740098 /nfs/dbraw/zinc/74/00/98/678740098.db2.gz RQGKVZQEGBQPAC-CHWSQXEVSA-N 0 3 352.460 1.754 20 5 FDBDHN C[C@@H](C(=O)N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413820438 679300577 /nfs/dbraw/zinc/30/05/77/679300577.db2.gz QRVQGSSAGQHOQI-OLZOCXBDSA-N 0 3 353.394 1.800 20 5 FDBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451484472 682887444 /nfs/dbraw/zinc/88/74/44/682887444.db2.gz BSZXOTVSGCDGQU-KGLIPLIRSA-N 0 3 351.359 1.665 20 5 FDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451935425 682973917 /nfs/dbraw/zinc/97/39/17/682973917.db2.gz IVBCPUSLUNHKQX-UKRRQHHQSA-N 0 3 353.375 1.326 20 5 FDBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000458893718 684339727 /nfs/dbraw/zinc/33/97/27/684339727.db2.gz XBWYVWDDMMCTPE-XJKSGUPXSA-N 0 3 350.419 1.802 20 5 FDBDHN CCCN(CC)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000461632530 684588741 /nfs/dbraw/zinc/58/87/41/684588741.db2.gz BKCWSIOULSMMQJ-LBPRGKRZSA-N 0 3 371.459 1.849 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000498912833 687878584 /nfs/dbraw/zinc/87/85/84/687878584.db2.gz FPJMJVKKBQMQNL-OLZOCXBDSA-N 0 3 350.419 1.956 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502852006 688307660 /nfs/dbraw/zinc/30/76/60/688307660.db2.gz YDIXRPXMMJFJLC-MNOVXSKESA-N 0 3 354.794 1.691 20 5 FDBDHN Cc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164762112 721076501 /nfs/dbraw/zinc/07/65/01/721076501.db2.gz CNPSJBPYHMXEIM-CVEARBPZSA-N 0 3 356.430 1.990 20 5 FDBDHN O=C1[C@H](N[C@H]2CCOC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934401402 782626495 /nfs/dbraw/zinc/62/64/95/782626495.db2.gz WKIRUODUQQODET-CVEARBPZSA-N 0 3 361.398 1.628 20 5 FDBDHN O=Cc1ccc(OCC(=O)NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277612494 782873375 /nfs/dbraw/zinc/87/33/75/782873375.db2.gz VLRRNDYFWCHTEZ-OAHLLOKOSA-N 0 3 361.398 1.919 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000261838733 774500629 /nfs/dbraw/zinc/50/06/29/774500629.db2.gz UHDAVNPTCXKQDM-MRXNPFEDSA-N 0 3 355.398 1.883 20 5 FDBDHN O=C([C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CCNCC1 ZINC000430652900 778030061 /nfs/dbraw/zinc/03/00/61/778030061.db2.gz YBEZWEQUUDPKAZ-ZDUSSCGKSA-N 0 3 373.413 1.380 20 5 FDBDHN CN1CC[C@@H]1CNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934036477 780653031 /nfs/dbraw/zinc/65/30/31/780653031.db2.gz IBQSXOWTXRLNJD-CQSZACIVSA-N 0 3 362.434 1.172 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364427620 785056011 /nfs/dbraw/zinc/05/60/11/785056011.db2.gz JTECFNLLSBMPMD-MRXNPFEDSA-N 0 3 360.414 1.078 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCOc2ccccc2F)CC1 ZINC000981137835 807578678 /nfs/dbraw/zinc/57/86/78/807578678.db2.gz HEAZNWXJLZXTSG-UKRRQHHQSA-N 0 3 351.378 1.404 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432522214 808776668 /nfs/dbraw/zinc/77/66/68/808776668.db2.gz CZGZUBJEBGLKAC-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN NCc1cn([C@@H]2CCCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)nn1 ZINC000420272288 813582850 /nfs/dbraw/zinc/58/28/50/813582850.db2.gz CBEXOYCFAYWAIZ-CQSZACIVSA-N 0 3 370.373 1.537 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420389730 813639592 /nfs/dbraw/zinc/63/95/92/813639592.db2.gz YOORXXOZJLVESO-MLGOLLRUSA-N 0 3 373.417 1.309 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000501778757 813660612 /nfs/dbraw/zinc/66/06/12/813660612.db2.gz VQIVDRKVJDOERO-JTDSTZFVSA-N 0 3 373.457 1.747 20 5 FDBDHN CN(C(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000516175085 816680101 /nfs/dbraw/zinc/68/01/01/816680101.db2.gz DBIJDHBQZGONJU-HNNXBMFYSA-N 0 3 365.430 1.715 20 5 FDBDHN CC(C)CCc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983658157 818433208 /nfs/dbraw/zinc/43/32/08/818433208.db2.gz QUJLKHGYSFOGRK-AAVRWANBSA-N 0 3 365.434 1.308 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000507746343 819475112 /nfs/dbraw/zinc/47/51/12/819475112.db2.gz BYYJJNXPMNSCNC-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN CN1CCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000281847646 826272291 /nfs/dbraw/zinc/27/22/91/826272291.db2.gz UHDWKLXTBDNKNK-UHFFFAOYSA-N 0 3 360.418 1.227 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000897040620 826822482 /nfs/dbraw/zinc/82/24/82/826822482.db2.gz GNKPEEMRHWNIQT-LBPRGKRZSA-N 0 3 353.806 1.711 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000523663846 828244599 /nfs/dbraw/zinc/24/45/99/828244599.db2.gz NZBVAYUFDYOUQU-CQSZACIVSA-N 0 3 363.462 1.640 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450312346 829917426 /nfs/dbraw/zinc/91/74/26/829917426.db2.gz HLRVUXLUVMPOSK-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1 ZINC000452004676 830501949 /nfs/dbraw/zinc/50/19/49/830501949.db2.gz KRSXJJOCMCBFMI-IRXDYDNUSA-N 0 3 371.393 1.645 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)[C@H]2C1 ZINC000899137908 845857252 /nfs/dbraw/zinc/85/72/52/845857252.db2.gz DZGVVIGZVZIRJU-WBVHZDCISA-N 0 3 355.398 1.616 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000484114792 850431129 /nfs/dbraw/zinc/43/11/29/850431129.db2.gz PEHLENJWFVRHQR-HNNXBMFYSA-N 0 3 364.377 1.113 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000484114795 850431144 /nfs/dbraw/zinc/43/11/44/850431144.db2.gz PEHLENJWFVRHQR-OAHLLOKOSA-N 0 3 364.377 1.113 20 5 FDBDHN CCN1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)[C@@H](C)C1 ZINC000906598026 853066729 /nfs/dbraw/zinc/06/67/29/853066729.db2.gz SVCSZXNYQXUEDQ-AWEZNQCLSA-N 0 3 372.429 1.791 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000907554655 854354525 /nfs/dbraw/zinc/35/45/25/854354525.db2.gz PDKGATKKUYIHMH-ZBFHGGJFSA-N 0 3 353.444 1.351 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000907555258 854355538 /nfs/dbraw/zinc/35/55/38/854355538.db2.gz SPNCCTUQJIQYPE-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN COc1cc(C(=O)N(CCO)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000911943189 859139672 /nfs/dbraw/zinc/13/96/72/859139672.db2.gz KLAQUWBOHICITA-UHFFFAOYSA-N 0 3 351.403 1.441 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000916666673 882022625 /nfs/dbraw/zinc/02/26/25/882022625.db2.gz XZWCUDUQFDSLFF-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1C ZINC000916666653 882024090 /nfs/dbraw/zinc/02/40/90/882024090.db2.gz XGGZWAWVTVFRRI-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCN(C2CC2)C1 ZINC000465135783 869143394 /nfs/dbraw/zinc/14/33/94/869143394.db2.gz ZZYOMCZIBZXMSF-CQSZACIVSA-N 0 3 361.398 1.604 20 5 FDBDHN COC(CN(CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)OC ZINC000272731919 881125578 /nfs/dbraw/zinc/12/55/78/881125578.db2.gz CQYVIJSIPGIQJX-UHFFFAOYSA-N 0 3 369.418 1.535 20 5 FDBDHN Cc1cc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)nn1C ZINC001034816651 885148052 /nfs/dbraw/zinc/14/80/52/885148052.db2.gz SWPMUARTQNQJJP-IAGOWNOFSA-N 0 3 357.414 1.300 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000919839611 886237386 /nfs/dbraw/zinc/23/73/86/886237386.db2.gz OEOZZKRHBGRQRM-UHFFFAOYSA-N 0 3 372.429 1.962 20 5 FDBDHN Cn1cc(CN2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)c([N+](=O)[O-])n1 ZINC000923541881 889733532 /nfs/dbraw/zinc/73/35/32/889733532.db2.gz WSPBRXGATIVUKG-UKRRQHHQSA-N 0 3 357.414 1.811 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nnc(C(F)F)s2)CC1 ZINC000996429648 903913834 /nfs/dbraw/zinc/91/38/34/903913834.db2.gz QWXDHURMYYKFNL-RKDXNWHRSA-N 0 3 361.374 1.222 20 5 FDBDHN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000764188343 903959329 /nfs/dbraw/zinc/95/93/29/903959329.db2.gz PDLNGNQLGFXENS-HUUCEWRRSA-N 0 3 358.446 1.705 20 5 FDBDHN CCCCc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997770951 909660905 /nfs/dbraw/zinc/66/09/05/909660905.db2.gz DCHJFSVPKLVYCB-ZIAGYGMSSA-N 0 3 365.434 1.406 20 5 FDBDHN CC(C)c1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997770649 909666923 /nfs/dbraw/zinc/66/69/23/909666923.db2.gz WUUGYIVHSWYEDS-CHWSQXEVSA-N 0 3 351.407 1.186 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOCC3(CCOCC3)C2)c1 ZINC000273063200 911024679 /nfs/dbraw/zinc/02/46/79/911024679.db2.gz MWYTUEWPZISAGY-MRXNPFEDSA-N 0 3 366.414 1.464 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734284957 923175187 /nfs/dbraw/zinc/17/51/87/923175187.db2.gz CTNDFHZWNLBEPU-AWEZNQCLSA-N 0 3 359.430 1.663 20 5 FDBDHN CN1CCC2(CC1)NC(=O)N(CN1CCCc3ccc([N+](=O)[O-])cc31)C2=O ZINC000738045662 925074589 /nfs/dbraw/zinc/07/45/89/925074589.db2.gz XYKPMULSRBNZEN-UHFFFAOYSA-N 0 3 373.413 1.321 20 5 FDBDHN Cc1ccc(-c2ccc(N(C)S(=O)(=O)CCN)nn2)cc1[N+](=O)[O-] ZINC001156239614 928213341 /nfs/dbraw/zinc/21/33/41/928213341.db2.gz WIFBVKQEEKLANC-UHFFFAOYSA-N 0 3 351.388 1.085 20 5 FDBDHN CN(C)C(=O)c1cccnc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036100 928232502 /nfs/dbraw/zinc/23/25/02/928232502.db2.gz FJEPRZVVBYMWHE-GJZGRUSLSA-N 0 3 361.446 1.351 20 5 FDBDHN COC(=O)C(C(=O)OC)c1cc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169237519 928366101 /nfs/dbraw/zinc/36/61/01/928366101.db2.gz NFOORJWEEHZNCS-VIFPVBQESA-N 0 3 362.342 1.230 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@@H]1N1CCN(C)CC1 ZINC000787187709 932219813 /nfs/dbraw/zinc/21/98/13/932219813.db2.gz YOTJYOOQULQAHW-DYVFJYSZSA-N 0 3 361.446 1.275 20 5 FDBDHN C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000804585412 938482826 /nfs/dbraw/zinc/48/28/26/938482826.db2.gz LLKPDDUMYPOHGU-UONOGXRCSA-N 0 3 363.418 1.965 20 5 FDBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[N+](=O)[O-] ZINC000813103076 941325900 /nfs/dbraw/zinc/32/59/00/941325900.db2.gz MUSYYMFUGRECKF-ZDUSSCGKSA-N 0 3 370.427 1.612 20 5 FDBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC ZINC000813104345 941326600 /nfs/dbraw/zinc/32/66/00/941326600.db2.gz YTWBZMJVQANWEX-NSHDSACASA-N 0 3 374.415 1.548 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109428 941334816 /nfs/dbraw/zinc/33/48/16/941334816.db2.gz JXIKAZYNVDQDAR-ZDUSSCGKSA-N 0 3 372.443 1.858 20 5 FDBDHN CC(COC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110369 941335113 /nfs/dbraw/zinc/33/51/13/941335113.db2.gz YYYIYGJSGJGTJW-BBRMVZONSA-N 0 3 357.366 1.631 20 5 FDBDHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113998 941335655 /nfs/dbraw/zinc/33/56/55/941335655.db2.gz KTZIEJOSRPDAGN-JTQLQIEISA-N 0 3 362.379 1.677 20 5 FDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[N+](=O)[O-] ZINC000813114017 941336359 /nfs/dbraw/zinc/33/63/59/941336359.db2.gz XUSDILLMEBFOBD-QWRGUYRKSA-N 0 3 350.327 1.019 20 5 FDBDHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000813630230 941417867 /nfs/dbraw/zinc/41/78/67/941417867.db2.gz JKUDPBGTDDYKEY-UONOGXRCSA-N 0 3 362.430 1.992 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@H]2C1 ZINC000816949533 942397921 /nfs/dbraw/zinc/39/79/21/942397921.db2.gz YUCLRILXKYVVIN-KCJUWKMLSA-N 0 3 355.192 1.528 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818012914 943148536 /nfs/dbraw/zinc/14/85/36/943148536.db2.gz YLXKNCQHMDXXHU-MRVPVSSYSA-N 0 3 362.155 1.215 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]12CCOC2 ZINC001195487982 970987977 /nfs/dbraw/zinc/98/79/77/970987977.db2.gz MOUHDODUCKKIPE-CZUORRHYSA-N 0 3 369.443 1.232 20 5 FDBDHN COCC(C)(C)N1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000819893213 943781998 /nfs/dbraw/zinc/78/19/98/943781998.db2.gz HWYGYVBMGSUACJ-UHFFFAOYSA-N 0 3 364.402 1.503 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820263482 943985516 /nfs/dbraw/zinc/98/55/16/943985516.db2.gz GBPHYCLYDKTLJH-PRHODGIISA-N 0 3 369.219 1.716 20 5 FDBDHN O=C(CCN1CCC[C@H](n2ccnn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823469515 945772114 /nfs/dbraw/zinc/77/21/14/945772114.db2.gz XRQPRTJTRLPQQT-ZDUSSCGKSA-N 0 3 362.365 1.991 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000856488733 971186690 /nfs/dbraw/zinc/18/66/90/971186690.db2.gz CKUVRWSJIHDOKV-CQSZACIVSA-N 0 3 350.375 1.892 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC[C@H]2CCOC2)c1 ZINC000844764460 948371313 /nfs/dbraw/zinc/37/13/13/948371313.db2.gz IRBDDOWHUSBHEH-NSHDSACASA-N 0 3 367.358 1.433 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC[C@@H]2CCCO2)c1 ZINC000844765571 948395531 /nfs/dbraw/zinc/39/55/31/948395531.db2.gz PVENTXDLIFWZEL-ZDUSSCGKSA-N 0 3 367.358 1.575 20 5 FDBDHN CC([C@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872611 950042313 /nfs/dbraw/zinc/04/23/13/950042313.db2.gz KINJCSMXRZPNKP-SJCJKPOMSA-N 0 3 368.361 1.714 20 5 FDBDHN CC([C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876881 950049956 /nfs/dbraw/zinc/04/99/56/950049956.db2.gz QZBQFJNILOKMBU-PELKAZGASA-N 0 3 353.266 1.275 20 5 FDBDHN COC(=O)c1cnc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879379 950053559 /nfs/dbraw/zinc/05/35/59/950053559.db2.gz UOICKWLSEBOACJ-XPTSAGLGSA-N 0 3 363.301 1.966 20 5 FDBDHN CC(=O)c1cn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845883268 950063118 /nfs/dbraw/zinc/06/31/18/950063118.db2.gz RGZBUKUOIOOSTN-VFZGTOFNSA-N 0 3 350.306 1.570 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3ncncn3)CC1)CC2 ZINC001172913609 961828757 /nfs/dbraw/zinc/82/87/57/961828757.db2.gz SWJKXSOWWRJZNN-MRXNPFEDSA-N 0 3 354.414 1.849 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCO[C@@H](CN(C)C)C2)c1F ZINC001173182785 961955001 /nfs/dbraw/zinc/95/50/01/961955001.db2.gz UGNDORLJRJYLTM-STQMWFEESA-N 0 3 355.410 1.936 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@]3(CCNC3=O)C2)c1F ZINC001173182002 961955408 /nfs/dbraw/zinc/95/54/08/961955408.db2.gz REYUDGHTSZHMOA-PIGZYNQJSA-N 0 3 351.378 1.886 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C1OCCO1 ZINC001176639473 963495230 /nfs/dbraw/zinc/49/52/30/963495230.db2.gz HLPIWQMZPBTUGR-AWEZNQCLSA-N 0 3 365.386 1.769 20 5 FDBDHN CCN1C[C@H](NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C(C)(C)C1 ZINC001178861054 964534698 /nfs/dbraw/zinc/53/46/98/964534698.db2.gz QTNALERDPUCICH-ZDUSSCGKSA-N 0 3 358.402 1.636 20 5 FDBDHN C[C@@]12COC[C@@H]1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000852534197 967403530 /nfs/dbraw/zinc/40/35/30/967403530.db2.gz INNWNXGEBOVAPB-HNAYVOBHSA-N 0 3 374.441 1.212 20 5 FDBDHN O=C(CN1CC[C@@H]2COC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852667449 967518909 /nfs/dbraw/zinc/51/89/09/967518909.db2.gz DZIUXBFTBANMNU-HZPDHXFCSA-N 0 3 374.441 1.212 20 5 FDBDHN O=C(CCN1CCC(N2CCOC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000852720769 967551646 /nfs/dbraw/zinc/55/16/46/967551646.db2.gz UAIZBKUCLUGVRD-UHFFFAOYSA-N 0 3 362.386 1.840 20 5 FDBDHN COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])cc1C ZINC000853449641 968020062 /nfs/dbraw/zinc/02/00/62/968020062.db2.gz UMOYYYNBSBHIDF-AWEZNQCLSA-N 0 3 362.430 1.655 20 5 FDBDHN COc1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1S(C)(=O)=O ZINC001198778934 973514285 /nfs/dbraw/zinc/51/42/85/973514285.db2.gz IGPVOXAJJQCUJF-NSHDSACASA-N 0 3 368.415 1.554 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1F ZINC000867300835 973876389 /nfs/dbraw/zinc/87/63/89/973876389.db2.gz RXHOAZVTMUCNJD-OAHLLOKOSA-N 0 3 357.407 1.759 20 5 FDBDHN O=[N+]([O-])c1cc(CO)c(N2CCCN(C[C@@H]3CCCO3)CC2)cc1F ZINC000865435479 974295964 /nfs/dbraw/zinc/29/59/64/974295964.db2.gz JKAKROHITMJPPS-AWEZNQCLSA-N 0 3 353.394 1.917 20 5 FDBDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000867582353 976423941 /nfs/dbraw/zinc/42/39/41/976423941.db2.gz VAZZFJQCMGPJHB-UHFFFAOYSA-N 0 3 371.459 1.574 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867878693 977033298 /nfs/dbraw/zinc/03/32/98/977033298.db2.gz POXREGHKZPQGHK-ZDUSSCGKSA-N 0 3 365.405 1.988 20 5 FDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000850593506 978454202 /nfs/dbraw/zinc/45/42/02/978454202.db2.gz UOCROZDNVJOLER-SSDOTTSWSA-N 0 3 352.210 1.244 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882768428 981663803 /nfs/dbraw/zinc/66/38/03/981663803.db2.gz DNHCVTOCCIGXTM-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN CON(C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000883170822 981995327 /nfs/dbraw/zinc/99/53/27/981995327.db2.gz FBHFJHZREYOLPQ-UHFFFAOYSA-N 0 3 365.171 1.782 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861715596 983864198 /nfs/dbraw/zinc/86/41/98/983864198.db2.gz NYHHGWDQSPSPOC-NWDGAFQWSA-N 0 3 371.796 1.597 20 5 FDBDHN CSc1cccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000869778234 985328399 /nfs/dbraw/zinc/32/83/99/985328399.db2.gz BTMWPSDQSAQJLA-NSHDSACASA-N 0 3 353.444 1.892 20 5 FDBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CN1CCN(C)CC1 ZINC000299072769 988097415 /nfs/dbraw/zinc/09/74/15/988097415.db2.gz WXJWUWBWBQEOGB-ZDUSSCGKSA-N 0 3 359.430 1.689 20 5 FDBDHN CCN1CCc2c(cccc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000366373637 988655714 /nfs/dbraw/zinc/65/57/14/988655714.db2.gz WZFGHSXQDDBKDJ-UHFFFAOYSA-N 0 3 356.382 1.773 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000370421519 989730299 /nfs/dbraw/zinc/73/02/99/989730299.db2.gz FONLGXWRFDFVDY-OAHLLOKOSA-N 0 3 364.421 1.974 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000298533496 990146022 /nfs/dbraw/zinc/14/60/22/990146022.db2.gz YOWCIQUOQCUWLC-UHFFFAOYSA-N 0 3 364.402 1.182 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000874840157 990564663 /nfs/dbraw/zinc/56/46/63/990564663.db2.gz KHXNSUFIKXSIRM-HZPDHXFCSA-N 0 3 356.386 1.484 20 5 FDBDHN CN(C)C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000372018800 990896116 /nfs/dbraw/zinc/89/61/16/990896116.db2.gz YJPPRQMOPBLKLN-AWEZNQCLSA-N 0 3 359.386 1.537 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372368756 991047768 /nfs/dbraw/zinc/04/77/68/991047768.db2.gz WGZDJACFPIDJPT-DYVFJYSZSA-N 0 3 361.446 1.396 20 5 FDBDHN Cc1cccnc1NC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372702526 991360179 /nfs/dbraw/zinc/36/01/79/991360179.db2.gz MPSAZBJDSQHBOU-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000372788025 991530147 /nfs/dbraw/zinc/53/01/47/991530147.db2.gz ZHUPDTFNFNPTPS-AWEZNQCLSA-N 0 3 373.413 1.846 20 5 FDBDHN COC(=O)[C@@H]1CN(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411903834 992690135 /nfs/dbraw/zinc/69/01/35/992690135.db2.gz LBLMNVLAXZZGMA-CYBMUJFWSA-N 0 3 367.402 1.019 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468696489 993608883 /nfs/dbraw/zinc/60/88/83/993608883.db2.gz WKMGOTGJZVZKMK-SJCJKPOMSA-N 0 3 360.414 1.850 20 5 FDBDHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000887403133 997238106 /nfs/dbraw/zinc/23/81/06/997238106.db2.gz PHSLMEYCGLQQFE-KBPBESRZSA-N 0 3 362.430 1.225 20 5 FDBDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267433604 999334712 /nfs/dbraw/zinc/33/47/12/999334712.db2.gz OGSUAOLCGBKNHF-GXTWGEPZSA-N 0 3 369.422 1.093 20 5 FDBDHN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[n-]2)[NH+]2CCCC2)c1 ZINC000284844095 999872141 /nfs/dbraw/zinc/87/21/41/999872141.db2.gz CHUJKMLKOHPEEG-HNNXBMFYSA-N 0 3 359.386 1.893 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289033344 1000070053 /nfs/dbraw/zinc/07/00/53/1000070053.db2.gz OYBGGYLOKDRWJC-YUTCNCBUSA-N 0 3 369.422 1.140 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000931492015 1004210666 /nfs/dbraw/zinc/21/06/66/1004210666.db2.gz WCBQSWKMZCJRKH-ROUUACIJSA-N 0 3 354.410 1.715 20 5 FDBDHN Cn1ccc([C@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932132307 1004784657 /nfs/dbraw/zinc/78/46/57/1004784657.db2.gz GREHDZPUKDFEIR-GJZGRUSLSA-N 0 3 360.414 1.948 20 5 FDBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCN(C2CCCC2)CC1 ZINC000078330115 1009004751 /nfs/dbraw/zinc/00/47/51/1009004751.db2.gz MPYBIDPNZCOAHV-UHFFFAOYSA-N 0 3 358.398 1.709 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192053836 178088986 /nfs/dbraw/zinc/08/89/86/178088986.db2.gz OQSQMWKUYCRHLW-ARFHVFGLSA-N 0 3 366.805 1.925 20 5 FDBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237319001 178307826 /nfs/dbraw/zinc/30/78/26/178307826.db2.gz IYLVMIIMISNFHF-UHFFFAOYSA-N 0 3 350.419 1.551 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000245606817 178369418 /nfs/dbraw/zinc/36/94/18/178369418.db2.gz YRCBZTYULDBQIA-OWCLPIDISA-N 0 3 364.446 1.330 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000516964886 539336954 /nfs/dbraw/zinc/33/69/54/539336954.db2.gz BGSRPPVFYVLZCQ-AWEZNQCLSA-N 0 3 367.471 1.975 20 5 FDBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000521996718 539527701 /nfs/dbraw/zinc/52/77/01/539527701.db2.gz ZVRGYNBMNIROJW-QLFBSQMISA-N 0 3 365.430 1.714 20 5 FDBDHN Cc1n[nH]c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000264288823 179069877 /nfs/dbraw/zinc/06/98/77/179069877.db2.gz QSHJSYAIHUXWBF-UHFFFAOYSA-N 0 3 373.413 1.513 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264617270 179149614 /nfs/dbraw/zinc/14/96/14/179149614.db2.gz QWEYDDVMKGOHHC-LBPRGKRZSA-N 0 3 354.432 1.307 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268186022 180019161 /nfs/dbraw/zinc/01/91/61/180019161.db2.gz UMNCHIXEIMWXQP-HZMBPMFUSA-N 0 3 354.432 1.398 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268255312 180037391 /nfs/dbraw/zinc/03/73/91/180037391.db2.gz XTKMYOQTBJRKDE-MEDUHNTESA-N 0 3 361.398 1.984 20 5 FDBDHN COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000269057133 180207508 /nfs/dbraw/zinc/20/75/08/180207508.db2.gz XOCFWYSHVDOGAM-UHFFFAOYSA-N 0 3 365.386 1.544 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269082216 180210995 /nfs/dbraw/zinc/21/09/95/180210995.db2.gz GHAHMYGJXYJQOQ-OCCSQVGLSA-N 0 3 368.459 1.423 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000269813234 180396243 /nfs/dbraw/zinc/39/62/43/180396243.db2.gz MTHFZKCTKHSWOQ-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000274091894 181024422 /nfs/dbraw/zinc/02/44/22/181024422.db2.gz UAXLKMTWBKLSNT-DRZSPHRISA-N 0 3 364.402 1.564 20 5 FDBDHN O=C1NC(=O)C2(CCC(NCc3ccc([N+](=O)[O-])cc3Cl)CC2)N1 ZINC000274475339 181101855 /nfs/dbraw/zinc/10/18/55/181101855.db2.gz ZBISAGFBAUFVEZ-UHFFFAOYSA-N 0 3 352.778 1.859 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000274615642 181132894 /nfs/dbraw/zinc/13/28/94/181132894.db2.gz PXHOZALGYVVEDQ-HNNXBMFYSA-N 0 3 363.370 1.412 20 5 FDBDHN CN(C)Cc1ccc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC000533038247 540196307 /nfs/dbraw/zinc/19/63/07/540196307.db2.gz KKSOCFSWKNNLKQ-UHFFFAOYSA-N 0 3 355.354 1.916 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535701694 540495235 /nfs/dbraw/zinc/49/52/35/540495235.db2.gz PCYCHCNWDJMPRX-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(CO)CC1 ZINC000536347471 540582264 /nfs/dbraw/zinc/58/22/64/540582264.db2.gz DPVCKMVJKVSFEN-UHFFFAOYSA-N 0 3 365.386 1.745 20 5 FDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000537973359 540795148 /nfs/dbraw/zinc/79/51/48/540795148.db2.gz HHTQHBAMTMOMPC-OLZOCXBDSA-N 0 3 357.432 1.278 20 5 FDBDHN Cc1ccc([C@@H](CN2CCOCC2)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539244482 540939372 /nfs/dbraw/zinc/93/93/72/540939372.db2.gz UOHXUBNAMAJMJC-QGZVFWFLSA-N 0 3 359.430 1.763 20 5 FDBDHN Cn1nnc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000539837730 540998650 /nfs/dbraw/zinc/99/86/50/540998650.db2.gz WQFCIYMPMROOQA-ZDUSSCGKSA-N 0 3 353.386 1.958 20 5 FDBDHN Cn1nnc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000539837729 540998840 /nfs/dbraw/zinc/99/88/40/540998840.db2.gz WQFCIYMPMROOQA-CYBMUJFWSA-N 0 3 353.386 1.958 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000543027269 541522256 /nfs/dbraw/zinc/52/22/56/541522256.db2.gz LDCAWOIULGKKIF-KRWDZBQOSA-N 0 3 370.409 1.877 20 5 FDBDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000544454463 541770273 /nfs/dbraw/zinc/77/02/73/541770273.db2.gz DRUBRAAVHZSZLL-NHYWBVRUSA-N 0 3 364.402 1.182 20 5 FDBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544851242 541842960 /nfs/dbraw/zinc/84/29/60/541842960.db2.gz RVTQVHHWANZGKC-OAHLLOKOSA-N 0 3 358.402 1.309 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283048597 182097779 /nfs/dbraw/zinc/09/77/79/182097779.db2.gz JGYWEDXUHXJJKS-NSHDSACASA-N 0 3 353.398 1.072 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545881379 542037312 /nfs/dbraw/zinc/03/73/12/542037312.db2.gz AZGWIJUBIAWERX-CYBMUJFWSA-N 0 3 358.192 1.154 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286191980 183010161 /nfs/dbraw/zinc/01/01/61/183010161.db2.gz BDVFBMUXMRZWLU-WCQYABFASA-N 0 3 354.432 1.305 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287148872 183222854 /nfs/dbraw/zinc/22/28/54/183222854.db2.gz GEJLWRRAWVCUCG-UHFFFAOYSA-N 0 3 350.448 1.673 20 5 FDBDHN CN(C)C(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295093002 184033151 /nfs/dbraw/zinc/03/31/51/184033151.db2.gz GFVPFBWOXUYIJF-OAHLLOKOSA-N 0 3 365.430 1.715 20 5 FDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295378413 184064629 /nfs/dbraw/zinc/06/46/29/184064629.db2.gz PWXVGOLXXPGTNB-ZETCQYMHSA-N 0 3 367.305 1.521 20 5 FDBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296094107 184130222 /nfs/dbraw/zinc/13/02/22/184130222.db2.gz DDVKGWFQMCRCTI-HUUCEWRRSA-N 0 3 354.794 1.471 20 5 FDBDHN CC1(C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCO[C@H]21 ZINC000296260162 184145975 /nfs/dbraw/zinc/14/59/75/184145975.db2.gz OBKAWJBJCINHTB-OZUAJXCXSA-N 0 3 363.370 1.665 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296359736 184157951 /nfs/dbraw/zinc/15/79/51/184157951.db2.gz IFLWFBJMYPXPPE-ZFWWWQNUSA-N 0 3 374.445 1.304 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547730644 542429491 /nfs/dbraw/zinc/42/94/91/542429491.db2.gz HILUDNBDSBJMME-UHFFFAOYSA-N 0 3 351.407 1.191 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000152890017 258263082 /nfs/dbraw/zinc/26/30/82/258263082.db2.gz GKIPSVGOHNDFOT-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(CC2CCOCC2)CC1 ZINC000172385681 258275355 /nfs/dbraw/zinc/27/53/55/258275355.db2.gz ZLSIMPQOTMOYBY-UHFFFAOYSA-N 0 3 362.430 1.578 20 5 FDBDHN Nc1nccc(C(=O)NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000548386142 542653171 /nfs/dbraw/zinc/65/31/71/542653171.db2.gz FSFQEAHDAJUJJS-UHFFFAOYSA-N 0 3 365.459 1.663 20 5 FDBDHN CC(C)CN1CCO[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548764482 542773901 /nfs/dbraw/zinc/77/39/01/542773901.db2.gz RWAFBMNMOFSJKM-HNNXBMFYSA-N 0 3 364.446 1.870 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000549039105 542825348 /nfs/dbraw/zinc/82/53/48/542825348.db2.gz ILGSCBZVKOTQKB-CQSZACIVSA-N 0 3 365.430 1.816 20 5 FDBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000549184548 542848405 /nfs/dbraw/zinc/84/84/05/542848405.db2.gz LINVGKCMJTUDFO-UHFFFAOYSA-N 0 3 359.386 1.205 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000549744917 542929797 /nfs/dbraw/zinc/92/97/97/542929797.db2.gz MMQPQWDZVCYXHB-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552026591 543407810 /nfs/dbraw/zinc/40/78/10/543407810.db2.gz VVJZKDWBAIOAGO-YVEFUNNKSA-N 0 3 365.455 1.648 20 5 FDBDHN Cn1ccnc1[C@@H](NCCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552045075 543410391 /nfs/dbraw/zinc/41/03/91/543410391.db2.gz XOLOSRMXOVNPGL-SFHVURJKSA-N 0 3 373.457 1.854 20 5 FDBDHN COc1ccc(CNCC(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000552064661 543413599 /nfs/dbraw/zinc/41/35/99/543413599.db2.gz FYUMOCVYBAKROI-UHFFFAOYSA-N 0 3 364.446 1.685 20 5 FDBDHN O=C([C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000067386755 172009580 /nfs/dbraw/zinc/00/95/80/172009580.db2.gz SOZVRCVWXSJEPE-HNNXBMFYSA-N 0 3 363.414 1.544 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068862385 172024106 /nfs/dbraw/zinc/02/41/06/172024106.db2.gz NVMQDSUYXSXCKW-ZDUSSCGKSA-N 0 3 351.403 1.830 20 5 FDBDHN CNC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128216460 173103716 /nfs/dbraw/zinc/10/37/16/173103716.db2.gz XEESFRPYOMAEBF-UHFFFAOYSA-N 0 3 352.366 1.521 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150795898 173381791 /nfs/dbraw/zinc/38/17/91/173381791.db2.gz ZAHOUFPQWYYVCJ-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN COc1cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000150796843 173381953 /nfs/dbraw/zinc/38/19/53/173381953.db2.gz MUSYZLZWODVABX-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176721085 174084981 /nfs/dbraw/zinc/08/49/81/174084981.db2.gz DWNDGKZGTCVDDI-ZBFHGGJFSA-N 0 3 357.414 1.961 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCC([NH+](C)C)CC1 ZINC000176917924 174094983 /nfs/dbraw/zinc/09/49/83/174094983.db2.gz NQESKRQPSAKACH-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN O=C(NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181342314 174218943 /nfs/dbraw/zinc/21/89/43/174218943.db2.gz UPKFDLDXTXQSLA-UHFFFAOYSA-N 0 3 362.430 1.647 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1CCN(c2ccncc2)CC1 ZINC000180366299 258367330 /nfs/dbraw/zinc/36/73/30/258367330.db2.gz UHKXYFMXKCESKT-UHFFFAOYSA-N 0 3 373.417 1.402 20 5 FDBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000180647344 258372517 /nfs/dbraw/zinc/37/25/17/258372517.db2.gz QPDUFDKRYCRCFR-HUUCEWRRSA-N 0 3 362.386 1.664 20 5 FDBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(C)(C)O ZINC000189941471 258387972 /nfs/dbraw/zinc/38/79/72/258387972.db2.gz WAROIDKOEQWVMB-CYBMUJFWSA-N 0 3 365.430 1.738 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247450819 258398779 /nfs/dbraw/zinc/39/87/79/258398779.db2.gz HLOULCGFEBXWNV-CRAIPNDOSA-N 0 3 359.430 1.359 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000247540380 258399364 /nfs/dbraw/zinc/39/93/64/258399364.db2.gz PCLJECCMNYBLBS-DZGCQCFKSA-N 0 3 371.401 1.075 20 5 FDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553784126 543696798 /nfs/dbraw/zinc/69/67/98/543696798.db2.gz YAIBUTMPBAUXGR-JJRVBVJISA-N 0 3 374.441 1.513 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCS1(=O)=O ZINC000558328269 544410798 /nfs/dbraw/zinc/41/07/98/544410798.db2.gz RCJOXXNXIQXFRI-WFASDCNBSA-N 0 3 369.443 1.869 20 5 FDBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000299724444 259019780 /nfs/dbraw/zinc/01/97/80/259019780.db2.gz ZDJXJPDJAYRVQF-UHFFFAOYSA-N 0 3 362.386 1.248 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1=CCN(C)CC1 ZINC000299725500 259019884 /nfs/dbraw/zinc/01/98/84/259019884.db2.gz UKEJAJRZEFJICV-SNVBAGLBSA-N 0 3 366.805 1.953 20 5 FDBDHN CN(C)C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301289624 259025088 /nfs/dbraw/zinc/02/50/88/259025088.db2.gz SRHMQNGMVSXOLU-CYBMUJFWSA-N 0 3 357.414 1.947 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000332137313 259244568 /nfs/dbraw/zinc/24/45/68/259244568.db2.gz KXMPNCGFHHLDCT-BNOWGMLFSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](COc3ccccc3)C2)c1 ZINC000363667882 259640361 /nfs/dbraw/zinc/64/03/61/259640361.db2.gz ZTTCXDBQNWCUFT-DOTOQJQBSA-N 0 3 360.414 1.943 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccccn2)CC1 ZINC000367148088 260001886 /nfs/dbraw/zinc/00/18/86/260001886.db2.gz JHRSJMCLLMSFDJ-UHFFFAOYSA-N 0 3 357.414 1.752 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000367763727 260087485 /nfs/dbraw/zinc/08/74/85/260087485.db2.gz PQLSNHVYRQLXHF-QMTHXVAHSA-N 0 3 366.805 1.739 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367953041 260114724 /nfs/dbraw/zinc/11/47/24/260114724.db2.gz YCUNGDFLKDHLDP-ZIAGYGMSSA-N 0 3 355.341 1.666 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368638346 260213543 /nfs/dbraw/zinc/21/35/43/260213543.db2.gz NJPQHCYSVMWSSK-IUCAKERBSA-N 0 3 351.787 1.535 20 5 FDBDHN O=C(CN[C@@H]1CCCC[C@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000368948227 260265243 /nfs/dbraw/zinc/26/52/43/260265243.db2.gz BLRBQAUKFTZFHO-GDBMZVCRSA-N 0 3 362.430 1.766 20 5 FDBDHN COCCCN1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000369904481 260451761 /nfs/dbraw/zinc/45/17/61/260451761.db2.gz MLTKZRXDVXMDAL-UHFFFAOYSA-N 0 3 364.446 1.602 20 5 FDBDHN COc1cccc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000373796438 261041536 /nfs/dbraw/zinc/04/15/36/261041536.db2.gz UURYHXIUBGZJEM-ZDUSSCGKSA-N 0 3 369.443 1.349 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000374062604 261072436 /nfs/dbraw/zinc/07/24/36/261072436.db2.gz AKDUANHFMPHISA-IXDOHACOSA-N 0 3 374.397 1.041 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2COc2ccc(F)cc2)c1 ZINC000374623844 261164787 /nfs/dbraw/zinc/16/47/87/261164787.db2.gz XLLLENMFDHHAEC-ZBFHGGJFSA-N 0 3 364.377 1.835 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000375013563 261247300 /nfs/dbraw/zinc/24/73/00/261247300.db2.gz QOGZKLCFYOWJBR-OAHLLOKOSA-N 0 3 368.397 1.818 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375023891 261250545 /nfs/dbraw/zinc/25/05/45/261250545.db2.gz VRJWMHCVQUQUAP-XEZPLFJOSA-N 0 3 360.414 1.266 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000409714034 262135581 /nfs/dbraw/zinc/13/55/81/262135581.db2.gz FQMPVZKYHWZRDZ-AWEZNQCLSA-N 0 3 351.403 1.426 20 5 FDBDHN Cn1cc(C(=O)NCCNc2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409900589 262144368 /nfs/dbraw/zinc/14/43/68/262144368.db2.gz HZDRGJGQYIZDAU-UHFFFAOYSA-N 0 3 366.381 1.654 20 5 FDBDHN CNC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000026341681 519117521 /nfs/dbraw/zinc/11/75/21/519117521.db2.gz YHMWZBWLKWFRSX-UHFFFAOYSA-N 0 3 364.402 1.390 20 5 FDBDHN CNC(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000028920169 519256737 /nfs/dbraw/zinc/25/67/37/519256737.db2.gz GVVZKRYXVGUPHM-INIZCTEOSA-N 0 3 359.382 1.484 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000030325140 519359484 /nfs/dbraw/zinc/35/94/84/519359484.db2.gz VWUZTRHHDHUCBO-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056398740 521851867 /nfs/dbraw/zinc/85/18/67/521851867.db2.gz VPIMUMWRBMOTDJ-HNNXBMFYSA-N 0 3 363.462 1.983 20 5 FDBDHN CCN1CCN(CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057005285 521967462 /nfs/dbraw/zinc/96/74/62/521967462.db2.gz ODYYMTOMESVIDB-UHFFFAOYSA-N 0 3 363.462 1.812 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Br)cs2)c1 ZINC000071308991 522111166 /nfs/dbraw/zinc/11/11/66/522111166.db2.gz GDSBPFMRZDOHBW-JTQLQIEISA-N 0 3 361.221 1.766 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CNC(=O)C2)CC1 ZINC000072697023 522363307 /nfs/dbraw/zinc/36/33/07/522363307.db2.gz KHSCCMFDPIHZGY-UHFFFAOYSA-N 0 3 360.414 1.834 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047147805 522456561 /nfs/dbraw/zinc/45/65/61/522456561.db2.gz IHFPIACWKCOYRI-AWEZNQCLSA-N 0 3 362.430 1.563 20 5 FDBDHN CC(=O)NCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047772365 522599398 /nfs/dbraw/zinc/59/93/98/522599398.db2.gz WVYZHDWZCQGCEW-MRXNPFEDSA-N 0 3 351.403 1.183 20 5 FDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000050997089 522960605 /nfs/dbraw/zinc/96/06/05/522960605.db2.gz YIVNWBNYUYPRPF-ZBFHGGJFSA-N 0 3 365.430 1.573 20 5 FDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(CCc2ccccn2)CC1 ZINC000076269549 523059212 /nfs/dbraw/zinc/05/92/12/523059212.db2.gz HSDZCLBCGAFYPT-UHFFFAOYSA-N 0 3 357.418 1.505 20 5 FDBDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000066836063 523215730 /nfs/dbraw/zinc/21/57/30/523215730.db2.gz HEBBKLIPRNHZLG-LBPRGKRZSA-N 0 3 365.386 1.817 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066948616 523283018 /nfs/dbraw/zinc/28/30/18/523283018.db2.gz KNDLQDDTQBWSSL-BBRMVZONSA-N 0 3 362.430 1.656 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000080082448 523830419 /nfs/dbraw/zinc/83/04/19/523830419.db2.gz CCXRRVNCKNWOQB-AWEZNQCLSA-N 0 3 350.419 1.258 20 5 FDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000080621755 523893929 /nfs/dbraw/zinc/89/39/29/523893929.db2.gz RLCPVPJDONRZGS-UHFFFAOYSA-N 0 3 366.393 1.487 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000081152476 523944717 /nfs/dbraw/zinc/94/47/17/523944717.db2.gz WCLDQTZTVFVNFU-MRXNPFEDSA-N 0 3 370.409 1.489 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000110592584 524108397 /nfs/dbraw/zinc/10/83/97/524108397.db2.gz BVRKMXXBJAAGCF-UHFFFAOYSA-N 0 3 361.446 1.553 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000172126821 524125297 /nfs/dbraw/zinc/12/52/97/524125297.db2.gz ZQZPKPBAUVMNAU-QGZVFWFLSA-N 0 3 374.441 1.720 20 5 FDBDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000121198525 524184264 /nfs/dbraw/zinc/18/42/64/524184264.db2.gz CCPVDTRMPYCKTP-UHFFFAOYSA-N 0 3 358.398 1.865 20 5 FDBDHN C[C@@H](NCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173332114 524370276 /nfs/dbraw/zinc/37/02/76/524370276.db2.gz UCXWFMFGTZEMTM-OAHLLOKOSA-N 0 3 356.430 1.858 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(N2CCSCC2)CCCCC1 ZINC000112186653 524419045 /nfs/dbraw/zinc/41/90/45/524419045.db2.gz XXZBIZBBVMGNQH-UHFFFAOYSA-N 0 3 368.463 1.054 20 5 FDBDHN COCCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000148547821 524450949 /nfs/dbraw/zinc/45/09/49/524450949.db2.gz YEVJOYFYXXBALX-UHFFFAOYSA-N 0 3 364.402 1.069 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000150875558 524499008 /nfs/dbraw/zinc/49/90/08/524499008.db2.gz XYDVVDATYZTCIZ-ZDUSSCGKSA-N 0 3 359.448 1.538 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3ccncc3)CC2)c1 ZINC000151291374 524551242 /nfs/dbraw/zinc/55/12/42/524551242.db2.gz OXKYNMMPEUHCPD-QGZVFWFLSA-N 0 3 358.398 1.552 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000151419947 524570443 /nfs/dbraw/zinc/57/04/43/524570443.db2.gz SLWGTKUCEACUEH-UHFFFAOYSA-N 0 3 362.411 1.642 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000112918068 524595864 /nfs/dbraw/zinc/59/58/64/524595864.db2.gz GLEUXNWKZKNDGT-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112922299 524597430 /nfs/dbraw/zinc/59/74/30/524597430.db2.gz LGBDQWJBAYZYEX-OAHLLOKOSA-N 0 3 363.462 1.397 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000112921634 524597724 /nfs/dbraw/zinc/59/77/24/524597724.db2.gz HYRSYTXGFDOACD-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922740 524601534 /nfs/dbraw/zinc/60/15/34/524601534.db2.gz XQIXVPYLAARPHM-HNNXBMFYSA-N 0 3 364.446 1.363 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000122731599 524605421 /nfs/dbraw/zinc/60/54/21/524605421.db2.gz ORNJNVYQVLFHLO-OLZOCXBDSA-N 0 3 351.403 1.923 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000174762612 524728372 /nfs/dbraw/zinc/72/83/72/524728372.db2.gz SGDUJXSQLNLEHQ-GOSISDBHSA-N 0 3 374.441 1.876 20 5 FDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000174802850 524743728 /nfs/dbraw/zinc/74/37/28/524743728.db2.gz BZDQXNYARFLKSZ-MRXNPFEDSA-N 0 3 365.430 1.131 20 5 FDBDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159910579 524767819 /nfs/dbraw/zinc/76/78/19/524767819.db2.gz OQDOVPKVENPNGZ-UHFFFAOYSA-N 0 3 372.429 1.256 20 5 FDBDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159910579 524767827 /nfs/dbraw/zinc/76/78/27/524767827.db2.gz OQDOVPKVENPNGZ-UHFFFAOYSA-N 0 3 372.429 1.256 20 5 FDBDHN CCc1n[nH]c(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000174981630 524818829 /nfs/dbraw/zinc/81/88/29/524818829.db2.gz JMRHJVCFXWVKGI-UHFFFAOYSA-N 0 3 353.423 1.500 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000152331171 524849631 /nfs/dbraw/zinc/84/96/31/524849631.db2.gz HTDVNCUXZRUVHL-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000161676045 525148940 /nfs/dbraw/zinc/14/89/40/525148940.db2.gz FUHDHVNKHOVWMM-UHFFFAOYSA-N 0 3 374.445 1.873 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000161710663 525154896 /nfs/dbraw/zinc/15/48/96/525154896.db2.gz GOUOYNMZBNPEPR-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@H]1CO ZINC000161735939 525160061 /nfs/dbraw/zinc/16/00/61/525160061.db2.gz RDNIGMWKTXPAPW-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@H]1CO ZINC000161735939 525160064 /nfs/dbraw/zinc/16/00/64/525160064.db2.gz RDNIGMWKTXPAPW-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN C[C@H]1C[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000163614566 525430671 /nfs/dbraw/zinc/43/06/71/525430671.db2.gz FEXAUWLOLDRPJY-DZGCQCFKSA-N 0 3 355.460 1.882 20 5 FDBDHN CCCCN1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000164196841 525486196 /nfs/dbraw/zinc/48/61/96/525486196.db2.gz ROLCBYGPTNEFNB-AWEZNQCLSA-N 0 3 350.419 1.527 20 5 FDBDHN CCN1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000118827226 525550480 /nfs/dbraw/zinc/55/04/80/525550480.db2.gz JXSICLSFCDLIDI-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154634497 525597131 /nfs/dbraw/zinc/59/71/31/525597131.db2.gz IHKNLZFBPIYQKG-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN CCN1CCN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154645019 525598324 /nfs/dbraw/zinc/59/83/24/525598324.db2.gz UCWOKVCZXJJOMC-UHFFFAOYSA-N 0 3 366.437 1.810 20 5 FDBDHN CC(C)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180073436 525658160 /nfs/dbraw/zinc/65/81/60/525658160.db2.gz INVBVUPHKFNKLN-INIZCTEOSA-N 0 3 351.403 1.447 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119404893 525734333 /nfs/dbraw/zinc/73/43/33/525734333.db2.gz XJOVLWRUHNGDID-HOCLYGCPSA-N 0 3 361.402 1.338 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106963076 525836206 /nfs/dbraw/zinc/83/62/06/525836206.db2.gz JIPBSFNRDWOOQY-ZDUSSCGKSA-N 0 3 360.414 1.975 20 5 FDBDHN Cc1cn2c(n1)CC[C@H](N[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147085 526081057 /nfs/dbraw/zinc/08/10/57/526081057.db2.gz SNMFXWMUVGWMBD-BBRMVZONSA-N 0 3 355.398 1.810 20 5 FDBDHN CNC(=O)c1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190083 526087561 /nfs/dbraw/zinc/08/75/61/526087561.db2.gz PGMYPMBMPUQQTL-INIZCTEOSA-N 0 3 373.409 1.826 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Cn2ccnn2)CC1 ZINC000182256296 526111420 /nfs/dbraw/zinc/11/14/20/526111420.db2.gz ZFLSKCBMIUBKMD-OAHLLOKOSA-N 0 3 361.402 1.338 20 5 FDBDHN COc1ccc(OCCN(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000182963859 535895653 /nfs/dbraw/zinc/89/56/53/535895653.db2.gz PJZKFPIVIWULAW-UHFFFAOYSA-N 0 3 366.462 1.552 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCC(CCCN3CCOCC3)CC2)n1 ZINC000182984497 535898827 /nfs/dbraw/zinc/89/88/27/535898827.db2.gz IYUUDEGQTVTKEM-UHFFFAOYSA-N 0 3 351.451 1.616 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183664507 536025009 /nfs/dbraw/zinc/02/50/09/536025009.db2.gz PPYPCXPXTBAYPW-HNNXBMFYSA-N 0 3 355.460 1.741 20 5 FDBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186299197 536231449 /nfs/dbraw/zinc/23/14/49/536231449.db2.gz IJQCCJYCBHSXNS-MRXNPFEDSA-N 0 3 357.414 1.914 20 5 FDBDHN COCCOC[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000266603754 536909201 /nfs/dbraw/zinc/90/92/01/536909201.db2.gz RXXAPNHPHCFLHU-HOCLYGCPSA-N 0 3 354.403 1.319 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000189007961 536985260 /nfs/dbraw/zinc/98/52/60/536985260.db2.gz ITKZVEIEVJIOKI-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCOC)cc1OC ZINC000263811818 537106815 /nfs/dbraw/zinc/10/68/15/537106815.db2.gz WUGZQMKKOMVBFN-UHFFFAOYSA-N 0 3 355.391 1.310 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000247331189 537109754 /nfs/dbraw/zinc/10/97/54/537109754.db2.gz IRELOJZJCKWJHW-DGCLKSJQSA-N 0 3 362.386 1.301 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247414421 537117377 /nfs/dbraw/zinc/11/73/77/537117377.db2.gz NLXVAZPNRRGEGP-WWGRRREGSA-N 0 3 362.430 1.512 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000247671233 537144516 /nfs/dbraw/zinc/14/45/16/537144516.db2.gz ZMJUCBNXDNVFPI-FZMZJTMJSA-N 0 3 357.407 1.839 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000192536855 537225643 /nfs/dbraw/zinc/22/56/43/537225643.db2.gz YGKQTVAWOBPPRX-UHFFFAOYSA-N 0 3 372.429 1.100 20 5 FDBDHN CCN(CC)CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273590666 537473924 /nfs/dbraw/zinc/47/39/24/537473924.db2.gz SNTTYYUUQVLLGN-UHFFFAOYSA-N 0 3 374.445 1.852 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000365323342 537485992 /nfs/dbraw/zinc/48/59/92/537485992.db2.gz CVLDNTXXXGMQMT-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000365323342 537485998 /nfs/dbraw/zinc/48/59/98/537485998.db2.gz CVLDNTXXXGMQMT-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN O=[N+]([O-])c1cc(I)cc(CNCCn2cncn2)c1 ZINC000289920221 537625239 /nfs/dbraw/zinc/62/52/39/537625239.db2.gz OMUUDDPDZPSWQI-UHFFFAOYSA-N 0 3 373.154 1.581 20 5 FDBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)C1 ZINC000294163148 537668942 /nfs/dbraw/zinc/66/89/42/537668942.db2.gz OBWBKCKZZUCHFL-GOSISDBHSA-N 0 3 370.413 1.733 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292050794 537701962 /nfs/dbraw/zinc/70/19/62/537701962.db2.gz NMYCTXDMDOVDCV-AWEZNQCLSA-N 0 3 359.835 1.965 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292372084 537730852 /nfs/dbraw/zinc/73/08/52/537730852.db2.gz RBFSXGGFLYSRMO-ACJLOTCBSA-N 0 3 360.414 1.267 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292912854 537757098 /nfs/dbraw/zinc/75/70/98/537757098.db2.gz XDRIGXLBSBOCAR-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]12 ZINC000366547731 537779691 /nfs/dbraw/zinc/77/96/91/537779691.db2.gz BJRJOXBFORCVLT-TZMCWYRMSA-N 0 3 355.350 1.949 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000366601062 537794510 /nfs/dbraw/zinc/79/45/10/537794510.db2.gz QIKQSIGVQBKEHO-ZDUSSCGKSA-N 0 3 354.432 1.044 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000371362359 537822341 /nfs/dbraw/zinc/82/23/41/537822341.db2.gz VRYPIUDHBXKZHV-UONOGXRCSA-N 0 3 371.397 1.374 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COCC(F)(F)F)C2)nc1 ZINC000432777654 538177094 /nfs/dbraw/zinc/17/70/94/538177094.db2.gz BUICACWIMZFLDY-PWSUYJOCSA-N 0 3 364.324 1.416 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444614391 538187660 /nfs/dbraw/zinc/18/76/60/538187660.db2.gz WBCZWFYUTXZJBP-UHFFFAOYSA-N 0 3 372.429 1.211 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424302260 538275288 /nfs/dbraw/zinc/27/52/88/538275288.db2.gz YZIBOCZEWCZCFA-XFBWCDHKSA-N 0 3 358.402 1.082 20 5 FDBDHN C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424483941 538311367 /nfs/dbraw/zinc/31/13/67/538311367.db2.gz ZGDDLKNASKOONE-KNXALSJPSA-N 0 3 358.402 1.526 20 5 FDBDHN C[C@@H]1CN(CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000420604296 538328676 /nfs/dbraw/zinc/32/86/76/538328676.db2.gz RULROKUKLGKUNB-BETUJISGSA-N 0 3 350.419 1.995 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2CCCO)cc([N+](=O)[O-])c1OC ZINC000452367218 538382193 /nfs/dbraw/zinc/38/21/93/538382193.db2.gz PLUGEVQRSNFKLG-ZDUSSCGKSA-N 0 3 367.402 1.189 20 5 FDBDHN C[C@H](C(=O)NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452369446 538383684 /nfs/dbraw/zinc/38/36/84/538383684.db2.gz DSWRCBYUKSKXTO-JSGCOSHPSA-N 0 3 353.394 1.800 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000481787017 538565052 /nfs/dbraw/zinc/56/50/52/538565052.db2.gz VNGLJPVEISNSDA-ZDUSSCGKSA-N 0 3 351.407 1.045 20 5 FDBDHN CNc1nc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000454902349 538632127 /nfs/dbraw/zinc/63/21/27/538632127.db2.gz KPQKSMSVSMMGMK-AWEZNQCLSA-N 0 3 357.414 1.934 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000495979913 538692273 /nfs/dbraw/zinc/69/22/73/538692273.db2.gz AORRWFDXHUSORE-UHFFFAOYSA-N 0 3 364.402 1.119 20 5 FDBDHN CN1CCC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000498565366 538845985 /nfs/dbraw/zinc/84/59/85/538845985.db2.gz BJYWQFGOSCTCQY-UHFFFAOYSA-N 0 3 366.443 1.283 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000561187055 545733081 /nfs/dbraw/zinc/73/30/81/545733081.db2.gz SUKMXSFKMMRLHH-NSHDSACASA-N 0 3 368.821 1.436 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000563137213 546419882 /nfs/dbraw/zinc/41/98/82/546419882.db2.gz BNFAHAVXMGTGNK-DLBZAZTESA-N 0 3 364.373 1.667 20 5 FDBDHN CCCN1CC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564848799 547066177 /nfs/dbraw/zinc/06/61/77/547066177.db2.gz ZKDXAZSKCDAESZ-AWEZNQCLSA-N 0 3 355.460 1.690 20 5 FDBDHN CCCN1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564848800 547066282 /nfs/dbraw/zinc/06/62/82/547066282.db2.gz ZKDXAZSKCDAESZ-CQSZACIVSA-N 0 3 355.460 1.690 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000565221975 547261463 /nfs/dbraw/zinc/26/14/63/547261463.db2.gz MDLJCEYABOGEEF-AWEZNQCLSA-N 0 3 351.451 2.215 20 5 FDBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CN2CCOCC2)cc(C(F)(F)F)c1 ZINC000565655752 547433658 /nfs/dbraw/zinc/43/36/58/547433658.db2.gz XRLGYIOPRICJTG-AWEZNQCLSA-N 0 3 363.336 1.396 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CNCCC2(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000566211877 547662564 /nfs/dbraw/zinc/66/25/64/547662564.db2.gz LXBUWBMCAOZUDH-GFCCVEGCSA-N 0 3 366.328 1.211 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CC[NH2+]CC1 ZINC000566215261 547663769 /nfs/dbraw/zinc/66/37/69/547663769.db2.gz DOIICXSLPMZSDZ-UHFFFAOYSA-N 0 3 367.349 1.892 20 5 FDBDHN COc1ccc(OC(F)F)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000566733296 547866729 /nfs/dbraw/zinc/86/67/29/547866729.db2.gz PHXYHPYZKSXGPQ-GFCCVEGCSA-N 0 3 372.328 1.552 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@]1(O)CN2CCC1CC2 ZINC000568130178 548408520 /nfs/dbraw/zinc/40/85/20/548408520.db2.gz LVLJPVUXCXEIHD-GOSISDBHSA-N 0 3 358.398 1.192 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000570815035 549422899 /nfs/dbraw/zinc/42/28/99/549422899.db2.gz UGXYFZQIZWBABP-OAHLLOKOSA-N 0 3 373.331 1.800 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CCNC2 ZINC000571265780 549584136 /nfs/dbraw/zinc/58/41/36/549584136.db2.gz SCNIPWOVKUXYDF-UHFFFAOYSA-N 0 3 368.393 1.538 20 5 FDBDHN N[C@@H]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CCN2C1=O ZINC000573220644 550090434 /nfs/dbraw/zinc/09/04/34/550090434.db2.gz ITOJKKJUGDIMOF-QWHCGFSZSA-N 0 3 359.411 1.467 20 5 FDBDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576937116 550601581 /nfs/dbraw/zinc/60/15/81/550601581.db2.gz XALGUCGURDZSSH-RLCCDNCMSA-N 0 3 352.366 1.657 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000580615230 551000726 /nfs/dbraw/zinc/00/07/26/551000726.db2.gz IKMYQKNSDSBFNS-ZDUSSCGKSA-N 0 3 374.319 1.883 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000580688159 551007890 /nfs/dbraw/zinc/00/78/90/551007890.db2.gz KQNZFZKYGNJBDJ-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN COC(=O)c1cc(C)nc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000587029860 551629896 /nfs/dbraw/zinc/62/98/96/551629896.db2.gz UVEKXGMYZWYJDB-UHFFFAOYSA-N 0 3 357.370 1.806 20 5 FDBDHN Nc1cc(N2CCN(CC3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587981929 551637571 /nfs/dbraw/zinc/63/75/71/551637571.db2.gz KJAHCSNYTFYLFY-UHFFFAOYSA-N 0 3 350.419 1.218 20 5 FDBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860127 551693978 /nfs/dbraw/zinc/69/39/78/551693978.db2.gz DUCBSNFYYYTSGK-HUUCEWRRSA-N 0 3 371.397 1.062 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402033 551780892 /nfs/dbraw/zinc/78/08/92/551780892.db2.gz QPLVXRAJDTUEAK-SJORKVTESA-N 0 3 362.430 1.718 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446096 551785606 /nfs/dbraw/zinc/78/56/06/551785606.db2.gz RHEAIRFXKBLCGM-GXFFZTMASA-N 0 3 366.805 1.141 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590564261 551793165 /nfs/dbraw/zinc/79/31/65/551793165.db2.gz ZCSJXXCODOTBFL-GJZGRUSLSA-N 0 3 359.386 1.406 20 5 FDBDHN CN(CCC[C@H]1CCOC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592125161 551945951 /nfs/dbraw/zinc/94/59/51/551945951.db2.gz SAJQFZHWEINSMP-AWEZNQCLSA-N 0 3 371.459 1.622 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592235681 551964709 /nfs/dbraw/zinc/96/47/09/551964709.db2.gz RAXVHKOGWVPOIU-ZDUSSCGKSA-N 0 3 363.418 1.795 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592488557 552000824 /nfs/dbraw/zinc/00/08/24/552000824.db2.gz LVKNCURSJBMEQA-HNNXBMFYSA-N 0 3 364.402 1.069 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592488485 552001078 /nfs/dbraw/zinc/00/10/78/552001078.db2.gz KHRNLAAJRHLVGR-CYBMUJFWSA-N 0 3 370.793 1.024 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593516091 552121178 /nfs/dbraw/zinc/12/11/78/552121178.db2.gz LUWCMYUFONMAGQ-UHFFFAOYSA-N 0 3 356.448 1.425 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)nc1 ZINC000593567396 552136948 /nfs/dbraw/zinc/13/69/48/552136948.db2.gz QMDJPEITUGGRLT-WFASDCNBSA-N 0 3 366.443 1.627 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000593576340 552140562 /nfs/dbraw/zinc/14/05/62/552140562.db2.gz QZHOYABMQSABBG-CHWSQXEVSA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000593576340 552140565 /nfs/dbraw/zinc/14/05/65/552140565.db2.gz QZHOYABMQSABBG-CHWSQXEVSA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000593656837 552165729 /nfs/dbraw/zinc/16/57/29/552165729.db2.gz HKWUKDVWOKITHW-CYBMUJFWSA-N 0 3 353.394 1.894 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000593670872 552169996 /nfs/dbraw/zinc/16/99/96/552169996.db2.gz XVUXKNSUJSPGER-CHWSQXEVSA-N 0 3 372.429 1.939 20 5 FDBDHN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594202843 552264403 /nfs/dbraw/zinc/26/44/03/552264403.db2.gz SUDHQCVPAKIUOX-KBPBESRZSA-N 0 3 374.397 1.636 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594601207 552339293 /nfs/dbraw/zinc/33/92/93/552339293.db2.gz MQTNEXDNCNLRJQ-DZGCQCFKSA-N 0 3 368.459 1.932 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594601210 552339646 /nfs/dbraw/zinc/33/96/46/552339646.db2.gz MQTNEXDNCNLRJQ-UKRRQHHQSA-N 0 3 368.459 1.932 20 5 FDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594711210 552361183 /nfs/dbraw/zinc/36/11/83/552361183.db2.gz OIPMHVXIAWIXIU-SWLSCSKDSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000595089460 552448521 /nfs/dbraw/zinc/44/85/21/552448521.db2.gz IOLNBFJDAWNCSU-NSHDSACASA-N 0 3 364.402 1.531 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595107409 552452843 /nfs/dbraw/zinc/45/28/43/552452843.db2.gz YDUBYKGDRRRHEC-LBPRGKRZSA-N 0 3 369.443 1.869 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595192429 552484653 /nfs/dbraw/zinc/48/46/53/552484653.db2.gz HKHUHCKKGDFYJP-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000595576232 552587003 /nfs/dbraw/zinc/58/70/03/552587003.db2.gz WLWSBHBHUXJTFM-QGZVFWFLSA-N 0 3 362.430 1.690 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000595614104 552593030 /nfs/dbraw/zinc/59/30/30/552593030.db2.gz FMENNTTZMXAWCW-CQSZACIVSA-N 0 3 351.403 1.873 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595616197 552593408 /nfs/dbraw/zinc/59/34/08/552593408.db2.gz QOMIZDWCLBRODK-MRXNPFEDSA-N 0 3 351.403 1.873 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)[C@@H](CN)C(F)(F)F ZINC000595907960 552631804 /nfs/dbraw/zinc/63/18/04/552631804.db2.gz LESKMPNYQIGVGA-PELKAZGASA-N 0 3 364.324 1.752 20 5 FDBDHN O=C(c1cccc2c1CCNC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948839 552637232 /nfs/dbraw/zinc/63/72/32/552637232.db2.gz NLQMXNJCOXOHEQ-AWEZNQCLSA-N 0 3 367.409 1.962 20 5 FDBDHN NC(=O)c1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596167123 552661640 /nfs/dbraw/zinc/66/16/40/552661640.db2.gz DJJLGXWRQVBRMO-OAHLLOKOSA-N 0 3 362.430 1.775 20 5 FDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596216449 552665935 /nfs/dbraw/zinc/66/59/35/552665935.db2.gz JUPGDPFXEBZGKU-AWEZNQCLSA-N 0 3 356.448 1.775 20 5 FDBDHN CNC(=O)c1ccc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596268167 552669725 /nfs/dbraw/zinc/66/97/25/552669725.db2.gz HEPOSZITYSKPNU-UHFFFAOYSA-N 0 3 362.430 1.646 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c(Br)cccc1[N+](=O)[O-] ZINC000596288291 552671128 /nfs/dbraw/zinc/67/11/28/552671128.db2.gz GOBAQROVVHLSNX-SNVBAGLBSA-N 0 3 371.235 1.914 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097596 552746481 /nfs/dbraw/zinc/74/64/81/552746481.db2.gz OSXCFXAWQDKTQA-UHFFFAOYSA-N 0 3 372.857 1.788 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597207864 552760650 /nfs/dbraw/zinc/76/06/50/552760650.db2.gz HWNMWPXRLRXZAP-YRGRVCCFSA-N 0 3 369.443 1.867 20 5 FDBDHN COC(=O)COc1ccc(CN2CCCc3[nH]ncc3C2)cc1[N+](=O)[O-] ZINC000597268072 552767430 /nfs/dbraw/zinc/76/74/30/552767430.db2.gz OAGLQPZXJZZHHC-UHFFFAOYSA-N 0 3 360.370 1.818 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000597857326 552841403 /nfs/dbraw/zinc/84/14/03/552841403.db2.gz DMEOQIDKLAWQFJ-ZDUSSCGKSA-N 0 3 358.402 1.778 20 5 FDBDHN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(CC)C1 ZINC000598043216 552860089 /nfs/dbraw/zinc/86/00/89/552860089.db2.gz SAZJDSPKNOLJRT-HNNXBMFYSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000598900330 552941336 /nfs/dbraw/zinc/94/13/36/552941336.db2.gz KGKVKADXYYXJCX-AAEUAGOBSA-N 0 3 361.402 1.458 20 5 FDBDHN CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598911021 552943795 /nfs/dbraw/zinc/94/37/95/552943795.db2.gz ZBFPFKJWNHVKMY-HNNXBMFYSA-N 0 3 363.418 1.659 20 5 FDBDHN C[N@@H+]1CC[C@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962510 552951944 /nfs/dbraw/zinc/95/19/44/552951944.db2.gz BMNJDFCVJHCLMA-ZDUSSCGKSA-N 0 3 370.475 1.336 20 5 FDBDHN C[N@H+]1CC[C@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962510 552951945 /nfs/dbraw/zinc/95/19/45/552951945.db2.gz BMNJDFCVJHCLMA-ZDUSSCGKSA-N 0 3 370.475 1.336 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000599024448 552959148 /nfs/dbraw/zinc/95/91/48/552959148.db2.gz QSOCHSDPVQWVIB-SWLSCSKDSA-N 0 3 357.432 1.420 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCOCC2)CC1 ZINC000600007051 553198228 /nfs/dbraw/zinc/19/82/28/553198228.db2.gz NJOQVYBBHSNFBH-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600063463 553211010 /nfs/dbraw/zinc/21/10/10/553211010.db2.gz NAXNNTNTDUCMIC-CQSZACIVSA-N 0 3 360.414 1.975 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](n1cccn1)C(F)(F)F ZINC000600749280 553310977 /nfs/dbraw/zinc/31/09/77/553310977.db2.gz WOSLFBGJHNHXQJ-RISCZKNCSA-N 0 3 374.319 1.924 20 5 FDBDHN COCCOCCN(C)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102732 553519492 /nfs/dbraw/zinc/51/94/92/553519492.db2.gz LWFJRIYJAHZAPJ-UHFFFAOYSA-N 0 3 351.403 1.469 20 5 FDBDHN C[C@H]1CCCN(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000603858121 553821553 /nfs/dbraw/zinc/82/15/53/553821553.db2.gz MDZUSQLCMLNLQR-ZDUSSCGKSA-N 0 3 370.475 1.989 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609199130 554348804 /nfs/dbraw/zinc/34/88/04/554348804.db2.gz DWNXOXLCNAWLHE-UHFFFAOYSA-N 0 3 365.477 1.635 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000609354290 554372157 /nfs/dbraw/zinc/37/21/57/554372157.db2.gz OQACPLDBVFWFLN-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000609392168 554374211 /nfs/dbraw/zinc/37/42/11/554374211.db2.gz SVTLGNQDRXFQOC-SNVBAGLBSA-N 0 3 366.805 1.331 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1 ZINC000609664945 554409029 /nfs/dbraw/zinc/40/90/29/554409029.db2.gz ORDLGENWZUYTFM-OAHLLOKOSA-N 0 3 371.441 1.928 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCC[C@H]1C ZINC000609841301 554427862 /nfs/dbraw/zinc/42/78/62/554427862.db2.gz MWICYPCIOZEXCL-OCCSQVGLSA-N 0 3 366.466 1.818 20 5 FDBDHN CCOC(=O)c1ccnc(NCCCN2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609961675 554445188 /nfs/dbraw/zinc/44/51/88/554445188.db2.gz ATEASFNRTOXOFI-UHFFFAOYSA-N 0 3 365.434 1.606 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)N1CCCC1 ZINC000610427640 554504339 /nfs/dbraw/zinc/50/43/39/554504339.db2.gz AEKNVCLKPCWRGW-WCQYABFASA-N 0 3 352.439 1.428 20 5 FDBDHN COC1CCN(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610573741 554532399 /nfs/dbraw/zinc/53/23/99/554532399.db2.gz BFTRUAFQLBKATE-UHFFFAOYSA-N 0 3 366.418 1.384 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000610887176 554575688 /nfs/dbraw/zinc/57/56/88/554575688.db2.gz WJGYAUVAJJORFS-HNNXBMFYSA-N 0 3 350.419 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000610896872 554577069 /nfs/dbraw/zinc/57/70/69/554577069.db2.gz WTKRIZPOHVSENW-HNNXBMFYSA-N 0 3 353.444 1.541 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148809 554609768 /nfs/dbraw/zinc/60/97/68/554609768.db2.gz FMMBEWLLTIZYSA-CQSZACIVSA-N 0 3 360.414 1.846 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000611239065 554618606 /nfs/dbraw/zinc/61/86/06/554618606.db2.gz ICUQQRXLIHHGOS-ZDUSSCGKSA-N 0 3 351.407 1.045 20 5 FDBDHN CN(C)CCOC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271230 554621096 /nfs/dbraw/zinc/62/10/96/554621096.db2.gz NMSAOPVEVKXRFD-UHFFFAOYSA-N 0 3 365.430 1.909 20 5 FDBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1OCC(=O)NC ZINC000611380026 554629921 /nfs/dbraw/zinc/62/99/21/554629921.db2.gz QBMAZHWIABYPEJ-HNNXBMFYSA-N 0 3 361.402 1.657 20 5 FDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611655532 554661386 /nfs/dbraw/zinc/66/13/86/554661386.db2.gz AHKKLVCEWARXTN-LBPRGKRZSA-N 0 3 373.356 1.773 20 5 FDBDHN CCC(=O)N1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612576224 554808848 /nfs/dbraw/zinc/80/88/48/554808848.db2.gz ZUUGYKBTEQAAIB-UHFFFAOYSA-N 0 3 369.443 1.359 20 5 FDBDHN CNc1c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000613234207 554902804 /nfs/dbraw/zinc/90/28/04/554902804.db2.gz UOJZUJVFCAKAPH-CQSZACIVSA-N 0 3 361.446 1.489 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000615313856 555190268 /nfs/dbraw/zinc/19/02/68/555190268.db2.gz WKIQWIJWHSHPIQ-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN CSc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000618924261 555696662 /nfs/dbraw/zinc/69/66/62/555696662.db2.gz SXKBGNKZBZTLHM-INIZCTEOSA-N 0 3 353.444 1.845 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000619477689 555784263 /nfs/dbraw/zinc/78/42/63/555784263.db2.gz ZGGRGBPVTIHENS-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000619570374 555800691 /nfs/dbraw/zinc/80/06/91/555800691.db2.gz ASMAMAVSILVOND-CYBMUJFWSA-N 0 3 351.451 1.355 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2O1 ZINC000366161986 567870449 /nfs/dbraw/zinc/87/04/49/567870449.db2.gz FRSOOVGYGREAOR-CQSZACIVSA-N 0 3 372.381 1.112 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cncn2)cc1 ZINC000181871966 568053966 /nfs/dbraw/zinc/05/39/66/568053966.db2.gz IQQFKVIAOHWHBK-CYBMUJFWSA-N 0 3 354.370 1.688 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272311891 674430590 /nfs/dbraw/zinc/43/05/90/674430590.db2.gz IIVZGMQOSZCIHY-NEPJUHHUSA-N 0 3 367.456 1.717 20 5 FDBDHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134625 598523051 /nfs/dbraw/zinc/52/30/51/598523051.db2.gz KVDWRDCZPOVMHK-GHMZBOCLSA-N 0 3 369.389 1.364 20 5 FDBDHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000736134625 598523052 /nfs/dbraw/zinc/52/30/52/598523052.db2.gz KVDWRDCZPOVMHK-GHMZBOCLSA-N 0 3 369.389 1.364 20 5 FDBDHN COCCN1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272842172 674480287 /nfs/dbraw/zinc/48/02/87/674480287.db2.gz ORWXWXJFSVUPRT-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN C[NH+](C)C1CCN(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000821583437 606402856 /nfs/dbraw/zinc/40/28/56/606402856.db2.gz VGPXIMKRLXBXIZ-UHFFFAOYSA-N 0 3 360.422 1.213 20 5 FDBDHN CC[N@@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821266274 606463961 /nfs/dbraw/zinc/46/39/61/606463961.db2.gz AFRXSDRWGRNMGE-UHFFFAOYSA-N 0 3 368.401 1.855 20 5 FDBDHN CC[N@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821266274 606463963 /nfs/dbraw/zinc/46/39/63/606463963.db2.gz AFRXSDRWGRNMGE-UHFFFAOYSA-N 0 3 368.401 1.855 20 5 FDBDHN CC[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821266274 606463965 /nfs/dbraw/zinc/46/39/65/606463965.db2.gz AFRXSDRWGRNMGE-UHFFFAOYSA-N 0 3 368.401 1.855 20 5 FDBDHN CC[N@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821266274 606463966 /nfs/dbraw/zinc/46/39/66/606463966.db2.gz AFRXSDRWGRNMGE-UHFFFAOYSA-N 0 3 368.401 1.855 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1=CCN(C)CC1 ZINC000276176037 674717099 /nfs/dbraw/zinc/71/70/99/674717099.db2.gz SWCRFVNRMLGNNM-SNVBAGLBSA-N 0 3 366.805 1.953 20 5 FDBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277030699 674838262 /nfs/dbraw/zinc/83/82/62/674838262.db2.gz SCJOWDWZESWHBJ-GXFFZTMASA-N 0 3 351.359 1.809 20 5 FDBDHN COc1cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277646631 674988194 /nfs/dbraw/zinc/98/81/94/674988194.db2.gz DLWDPNQZPKWGCC-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193907884 672375467 /nfs/dbraw/zinc/37/54/67/672375467.db2.gz XPOACZCBVYYEFX-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000288918926 676072235 /nfs/dbraw/zinc/07/22/35/676072235.db2.gz UXBCIMMRHHKUQD-CABCVRRESA-N 0 3 354.794 1.783 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000265591942 672948015 /nfs/dbraw/zinc/94/80/15/672948015.db2.gz YEYHBTWHXHZXDZ-ZDUSSCGKSA-N 0 3 355.826 1.998 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281772713 675557611 /nfs/dbraw/zinc/55/76/11/675557611.db2.gz MKJWHWPLCBOAQQ-UHFFFAOYSA-N 0 3 368.865 1.933 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282698625 675638549 /nfs/dbraw/zinc/63/85/49/675638549.db2.gz FPZCCFPTPYKLCM-ZDUSSCGKSA-N 0 3 366.805 1.978 20 5 FDBDHN CCS(=O)(=O)c1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000284874047 675756165 /nfs/dbraw/zinc/75/61/65/675756165.db2.gz VJQLGYMMFMXVJI-LBPRGKRZSA-N 0 3 352.416 1.936 20 5 FDBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCNC1=O ZINC000298431941 676462508 /nfs/dbraw/zinc/46/25/08/676462508.db2.gz GNIMLLPAAMVSLI-ZDUSSCGKSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000298472890 676466622 /nfs/dbraw/zinc/46/66/22/676466622.db2.gz CUKBYVRXCMMEBX-STQMWFEESA-N 0 3 355.416 1.509 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000298624661 676483227 /nfs/dbraw/zinc/48/32/27/676483227.db2.gz POZFLFPLIYZJFU-CQSZACIVSA-N 0 3 351.403 1.327 20 5 FDBDHN O=C(CN[C@@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412000020 679140562 /nfs/dbraw/zinc/14/05/62/679140562.db2.gz YGAKDISIGFWZEA-MFKMUULPSA-N 0 3 357.794 1.564 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1F ZINC000412184561 679163104 /nfs/dbraw/zinc/16/31/04/679163104.db2.gz OGMSFGIMKKYISZ-ZWNOBZJWSA-N 0 3 351.378 1.884 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000414996301 679376582 /nfs/dbraw/zinc/37/65/82/679376582.db2.gz GKVDINCBRDSWDY-ZDUSSCGKSA-N 0 3 359.329 1.233 20 5 FDBDHN COc1cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000418124821 680005765 /nfs/dbraw/zinc/00/57/65/680005765.db2.gz IJYCOPQZLNAWDJ-UHFFFAOYSA-N 0 3 354.403 1.966 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)cc1OC ZINC000473961680 685352288 /nfs/dbraw/zinc/35/22/88/685352288.db2.gz YAUIBMLMKSIWDE-UHFFFAOYSA-N 0 3 355.391 1.262 20 5 FDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N1CCSCC1 ZINC000449130356 682667476 /nfs/dbraw/zinc/66/74/76/682667476.db2.gz YMQHNJKFVRARLB-ZDUSSCGKSA-N 0 3 373.500 1.494 20 5 FDBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451484474 682887388 /nfs/dbraw/zinc/88/73/88/682887388.db2.gz BSZXOTVSGCDGQU-ZIAGYGMSSA-N 0 3 351.359 1.665 20 5 FDBDHN CC(C)(CN1CCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452099643 683026886 /nfs/dbraw/zinc/02/68/86/683026886.db2.gz XOYNOHPYFFVTDJ-UHFFFAOYSA-N 0 3 355.460 1.833 20 5 FDBDHN CSc1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452362766 683060220 /nfs/dbraw/zinc/06/02/20/683060220.db2.gz LFGKBSJAMFYAOU-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CCOCC2)c(F)c1 ZINC000459709461 684447803 /nfs/dbraw/zinc/44/78/03/684447803.db2.gz LCNFINUGCQOXET-UHFFFAOYSA-N 0 3 353.394 1.705 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000502845597 688306089 /nfs/dbraw/zinc/30/60/89/688306089.db2.gz WCKCHXNIDMBJQT-VXGBXAGGSA-N 0 3 350.375 1.046 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000517084197 690033079 /nfs/dbraw/zinc/03/30/79/690033079.db2.gz INJPGQAIULPJHA-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000537925856 694910180 /nfs/dbraw/zinc/91/01/80/694910180.db2.gz XPSNULHLRKELIZ-UKRRQHHQSA-N 0 3 353.444 1.868 20 5 FDBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868359 721062525 /nfs/dbraw/zinc/06/25/25/721062525.db2.gz OAIDVAFDRUFLLH-JKSUJKDBSA-N 0 3 355.398 1.865 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nc(-c3cccs3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063949 777689751 /nfs/dbraw/zinc/68/97/51/777689751.db2.gz QMNYMIHCHBMKKT-LMLFDSFASA-N 0 3 363.399 1.200 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000277236483 781150016 /nfs/dbraw/zinc/15/00/16/781150016.db2.gz CAIJEKDGLYRJDW-HNNXBMFYSA-N 0 3 358.398 1.944 20 5 FDBDHN COc1c(O)ccc(CN2CC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000892115613 781596680 /nfs/dbraw/zinc/59/66/80/781596680.db2.gz PXZGDWHBNKNLHQ-ZDUSSCGKSA-N 0 3 351.403 1.463 20 5 FDBDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365019596 785257482 /nfs/dbraw/zinc/25/74/82/785257482.db2.gz QSTCJVULTWMXJL-CABCVRRESA-N 0 3 360.414 1.948 20 5 FDBDHN CN1CCC(OCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000923786222 787076788 /nfs/dbraw/zinc/07/67/88/787076788.db2.gz REECJNRHKLQNBW-UHFFFAOYSA-N 0 3 354.334 1.571 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ncccc1[N+](=O)[O-] ZINC000377626603 792342963 /nfs/dbraw/zinc/34/29/63/792342963.db2.gz PJOROWRCIZWBCC-UHFFFAOYSA-N 0 3 359.434 1.786 20 5 FDBDHN CS[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000892999693 792389490 /nfs/dbraw/zinc/38/94/90/792389490.db2.gz DFSSZSPOZHOOAK-UONOGXRCSA-N 0 3 362.455 1.929 20 5 FDBDHN COc1cc(CCNC(=O)N2CCN[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000416893787 794770659 /nfs/dbraw/zinc/77/06/59/794770659.db2.gz CIWGEIJQQQPZBC-NEPJUHHUSA-N 0 3 366.418 1.546 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccccc2OC2CC2)CC1 ZINC000981137996 807577658 /nfs/dbraw/zinc/57/76/58/807577658.db2.gz JWTQYMGVQRFYBT-IAGOWNOFSA-N 0 3 359.426 1.927 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CO)CN1CCCCC1 ZINC000413822933 814208031 /nfs/dbraw/zinc/20/80/31/814208031.db2.gz UVQBVMWFKZRYLO-OAHLLOKOSA-N 0 3 360.414 1.513 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367069573 814299005 /nfs/dbraw/zinc/29/90/05/814299005.db2.gz XCGTXCKJALRXFM-SUMWQHHRSA-N 0 3 362.386 1.189 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000517651935 817523504 /nfs/dbraw/zinc/52/35/04/817523504.db2.gz SQOMKPQOPIWESJ-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000729497398 819862461 /nfs/dbraw/zinc/86/24/61/819862461.db2.gz NOOXVPHFCUTRON-KGLIPLIRSA-N 0 3 364.402 1.266 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCc1ccc(F)c(F)c1 ZINC001029304877 820439528 /nfs/dbraw/zinc/43/95/28/820439528.db2.gz NBXMGNSZKOGNED-UMPJEAMMSA-N 0 3 365.380 1.848 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441793359 820639704 /nfs/dbraw/zinc/63/97/04/820639704.db2.gz HCMFVQWZPGPMBP-UHFFFAOYSA-N 0 3 365.434 1.751 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000445769658 828360598 /nfs/dbraw/zinc/36/05/98/828360598.db2.gz ZUYWWVUOBLGPTR-WCFLWFBJSA-N 0 3 364.402 1.564 20 5 FDBDHN CN1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1(C)C ZINC000281802432 826254199 /nfs/dbraw/zinc/25/41/99/826254199.db2.gz PIAPCUUVKQWBJS-UHFFFAOYSA-N 0 3 359.430 1.832 20 5 FDBDHN CCOC(=O)c1cc(N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000897098068 827006621 /nfs/dbraw/zinc/00/66/21/827006621.db2.gz QARRAZJKFMGSFI-UHFFFAOYSA-N 0 3 350.419 1.455 20 5 FDBDHN COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897220668 827183327 /nfs/dbraw/zinc/18/33/27/827183327.db2.gz XPUDXJZWAGVVDS-CABCVRRESA-N 0 3 363.414 1.346 20 5 FDBDHN Cc1nn(C)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440502848 828161737 /nfs/dbraw/zinc/16/17/37/828161737.db2.gz HYVJIDBPGFBATB-GOSISDBHSA-N 0 3 373.413 1.004 20 5 FDBDHN Cc1nnsc1CN(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964615 831933827 /nfs/dbraw/zinc/93/38/27/831933827.db2.gz RHSXUROUXUTGBQ-CHWSQXEVSA-N 0 3 353.448 1.182 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428532790 831949489 /nfs/dbraw/zinc/94/94/89/831949489.db2.gz FOWOQSBICZJBAL-CQSZACIVSA-N 0 3 359.386 1.456 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CCN(CCc2ccccn2)CC1 ZINC000476356989 841078362 /nfs/dbraw/zinc/07/83/62/841078362.db2.gz UZYRQSNUSUXMEE-UHFFFAOYSA-N 0 3 372.429 1.502 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000912993385 861204148 /nfs/dbraw/zinc/20/41/48/861204148.db2.gz XQEWPSADSAQYAD-UHFFFAOYSA-N 0 3 358.402 1.572 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000480299321 845018091 /nfs/dbraw/zinc/01/80/91/845018091.db2.gz CLYUPULUIAIZNY-QAPCUYQASA-N 0 3 366.414 1.604 20 5 FDBDHN O=C(NCCNCc1coc(-c2ccc(Cl)cc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942742 848822118 /nfs/dbraw/zinc/82/21/18/848822118.db2.gz GKDLQENBJWITSO-ZIAGYGMSSA-N 0 3 364.789 1.866 20 5 FDBDHN CNC(=O)C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000483425978 849565524 /nfs/dbraw/zinc/56/55/24/849565524.db2.gz ZNFSHLIEYAZONJ-WMZOPIPTSA-N 0 3 373.409 1.802 20 5 FDBDHN O=C(NCCN1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000443924514 869972093 /nfs/dbraw/zinc/97/20/93/869972093.db2.gz VZHOTUBMJBGTPZ-UHFFFAOYSA-N 0 3 360.370 1.074 20 5 FDBDHN CCc1noc(C)c1CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704428 886328172 /nfs/dbraw/zinc/32/81/72/886328172.db2.gz OPSIVMDMXVXZOT-CZUORRHYSA-N 0 3 362.430 1.635 20 5 FDBDHN CC(C)CCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996439546 903887649 /nfs/dbraw/zinc/88/76/49/903887649.db2.gz FIBISUZBIJGSKD-ZIAGYGMSSA-N 0 3 365.434 1.404 20 5 FDBDHN CC(C)(C)c1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428697 903912751 /nfs/dbraw/zinc/91/27/51/903912751.db2.gz GJHIIMVZYDULBL-VXGBXAGGSA-N 0 3 351.407 1.113 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730218524 916324321 /nfs/dbraw/zinc/32/43/21/916324321.db2.gz LRLFZFIWVWPIIX-CTEOGUNLSA-N 0 3 372.425 1.549 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169030079 928227642 /nfs/dbraw/zinc/22/76/42/928227642.db2.gz VYXDMRNIKRECQH-HZPDHXFCSA-N 0 3 362.478 1.568 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)C1 ZINC001169036587 928232228 /nfs/dbraw/zinc/23/22/28/928232228.db2.gz GWFFMKPXDHCXTM-CVEARBPZSA-N 0 3 360.462 1.644 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000822880299 945281928 /nfs/dbraw/zinc/28/19/28/945281928.db2.gz ZYSREEBBKBRMOL-LSDHHAIUSA-N 0 3 371.397 1.578 20 5 FDBDHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001132687164 941106974 /nfs/dbraw/zinc/10/69/74/941106974.db2.gz SGZAHQWBTSWFPM-SFHVURJKSA-N 0 3 355.398 1.808 20 5 FDBDHN COc1ccc(CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000811814004 941167749 /nfs/dbraw/zinc/16/77/49/941167749.db2.gz PGUBPULEHFQSDG-QGZVFWFLSA-N 0 3 369.418 1.969 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)[N+](=O)[O-] ZINC000813108539 941334409 /nfs/dbraw/zinc/33/44/09/941334409.db2.gz GZPBMAJGIKMMLN-VXGBXAGGSA-N 0 3 373.431 1.268 20 5 FDBDHN CC(COC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[N+](=O)[O-] ZINC000813114644 941336484 /nfs/dbraw/zinc/33/64/84/941336484.db2.gz DVVNLGNEJXQFBB-VIFPVBQESA-N 0 3 374.396 1.642 20 5 FDBDHN CC(C)(C)S(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819061820 943400860 /nfs/dbraw/zinc/40/08/60/943400860.db2.gz RYLQGYQYTNVNAF-UHFFFAOYSA-N 0 3 357.432 1.726 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000821052962 944338512 /nfs/dbraw/zinc/33/85/12/944338512.db2.gz RMXJDFRKPDJOPI-HNNXBMFYSA-N 0 3 353.394 1.630 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000856410400 971129200 /nfs/dbraw/zinc/12/92/00/971129200.db2.gz JABYEESDMAKMMM-CQSZACIVSA-N 0 3 362.430 1.892 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000824667320 946659962 /nfs/dbraw/zinc/65/99/62/946659962.db2.gz FWHBPFKUZLOIGM-GXFFZTMASA-N 0 3 366.805 1.739 20 5 FDBDHN O=[N+]([O-])c1ccnn1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000844726103 948334313 /nfs/dbraw/zinc/33/43/13/948334313.db2.gz AGTMFOKNYGPKRP-IAGOWNOFSA-N 0 3 357.414 1.724 20 5 FDBDHN CC([C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876887 950050672 /nfs/dbraw/zinc/05/06/72/950050672.db2.gz QZBQFJNILOKMBU-QPUJVOFHSA-N 0 3 353.266 1.275 20 5 FDBDHN COC(=O)c1cnc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879377 950054012 /nfs/dbraw/zinc/05/40/12/950054012.db2.gz UOICKWLSEBOACJ-OTYXRUKQSA-N 0 3 363.301 1.966 20 5 FDBDHN COc1cnccc1N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000795285426 1013261986 /nfs/dbraw/zinc/26/19/86/1013261986.db2.gz WRTFLAUNDZKBDM-UHFFFAOYSA-N 0 3 354.370 1.973 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCNCc1cnsn1)CC1CCCC1 ZINC001177313640 963755711 /nfs/dbraw/zinc/75/57/11/963755711.db2.gz HBIBYCVNNIGJCZ-HUUCEWRRSA-N 0 3 367.475 1.702 20 5 FDBDHN Cc1nnc(CNCCCN(CC2CCCC2)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001177314012 963755986 /nfs/dbraw/zinc/75/59/86/963755986.db2.gz WZBNCPWXXQNKQY-HUUCEWRRSA-N 0 3 365.434 1.542 20 5 FDBDHN CC(C)(C(=O)N1CC(N[C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001179007758 964620327 /nfs/dbraw/zinc/62/03/27/964620327.db2.gz CCKUGKYNKVZNAI-NSHDSACASA-N 0 3 351.378 1.601 20 5 FDBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCOC2(CNC2)C1 ZINC000854016449 968532075 /nfs/dbraw/zinc/53/20/75/968532075.db2.gz WMBKNSDMWXSLDZ-UHFFFAOYSA-N 0 3 374.166 1.311 20 5 FDBDHN C/C(=C/C(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000855695339 970619669 /nfs/dbraw/zinc/61/96/69/970619669.db2.gz KQZSYHJPABPUCZ-OWBHPGMISA-N 0 3 362.430 1.477 20 5 FDBDHN CCOc1cc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)ccc1[N+](=O)[O-] ZINC001198354855 973051140 /nfs/dbraw/zinc/05/11/40/973051140.db2.gz SGUHDGXTOKNTDH-CQSZACIVSA-N 0 3 363.414 1.457 20 5 FDBDHN CC(C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)N1CCN(C)CC1 ZINC000865429392 974292951 /nfs/dbraw/zinc/29/29/51/974292951.db2.gz SYNBBJXEKKKBLQ-KRWDZBQOSA-N 0 3 354.426 1.910 20 5 FDBDHN O=[N+]([O-])c1cc(CO)c(N2CCC(CN3CCOCC3)CC2)cc1F ZINC000865446933 974301869 /nfs/dbraw/zinc/30/18/69/974301869.db2.gz FTOLKQICUQQMBE-UHFFFAOYSA-N 0 3 353.394 1.775 20 5 FDBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](N2CC=CC2)C1 ZINC000848479575 976809900 /nfs/dbraw/zinc/80/99/00/976809900.db2.gz FXNHHVUWQKRYRO-ROUUACIJSA-N 0 3 356.426 1.814 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000882137094 980443252 /nfs/dbraw/zinc/44/32/52/980443252.db2.gz XVYZCXMFJGBGEL-PHIMTYICSA-N 0 3 359.835 1.739 20 5 FDBDHN CC1(N2CCC2)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000882768646 981663704 /nfs/dbraw/zinc/66/37/04/981663704.db2.gz MJPWELQXPSDAKG-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858045816 981805931 /nfs/dbraw/zinc/80/59/31/981805931.db2.gz BJHPFNRDPPFXTQ-DLBZAZTESA-N 0 3 373.413 1.578 20 5 FDBDHN C[C@@](O)(CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)F ZINC000886131985 985922338 /nfs/dbraw/zinc/92/23/38/985922338.db2.gz LTTCGLWVYSUMIH-MRXNPFEDSA-N 0 3 369.372 1.999 20 5 FDBDHN COC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000886914301 986735701 /nfs/dbraw/zinc/73/57/01/986735701.db2.gz URNSATAYQIVQIL-XYPHTWIQSA-N 0 3 363.414 1.731 20 5 FDBDHN CCOC(=O)c1cnn(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000295463685 988683412 /nfs/dbraw/zinc/68/34/12/988683412.db2.gz FRWBXLHXTHJJPW-UHFFFAOYSA-N 0 3 362.390 1.502 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(CCc2ccncc2)CC1 ZINC000363916698 989459651 /nfs/dbraw/zinc/45/96/51/989459651.db2.gz DZMCICJHORSAIO-UHFFFAOYSA-N 0 3 358.402 1.010 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000876472339 992635260 /nfs/dbraw/zinc/63/52/60/992635260.db2.gz KFFRNFUDKYIWOJ-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000876475440 992647697 /nfs/dbraw/zinc/64/76/97/992647697.db2.gz ODTNJFZCDPJDJX-GOSISDBHSA-N 0 3 365.430 1.631 20 5 FDBDHN O=C(c1ccc2c(c1)CNC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000470370922 993996131 /nfs/dbraw/zinc/99/61/31/993996131.db2.gz BKHXYYJNOMOOLJ-HNNXBMFYSA-N 0 3 353.382 1.920 20 5 FDBDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252883 995432199 /nfs/dbraw/zinc/43/21/99/995432199.db2.gz SNCSWGULMXLZOL-CHWSQXEVSA-N 0 3 363.418 1.417 20 5 FDBDHN Cc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000270065612 999506595 /nfs/dbraw/zinc/50/65/95/999506595.db2.gz GBWTWACAEAUHFV-UHFFFAOYSA-N 0 3 359.386 1.461 20 5 FDBDHN CCOc1cccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000273862516 999730216 /nfs/dbraw/zinc/73/02/16/999730216.db2.gz MOPAVKAWIVRAIC-OAHLLOKOSA-N 0 3 362.430 1.736 20 5 FDBDHN CN1CC[C@H]2OCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285912535 999925095 /nfs/dbraw/zinc/92/50/95/999925095.db2.gz UAPNYHJXCGDBCS-DLBZAZTESA-N 0 3 362.430 1.718 20 5 FDBDHN CN1CC[C@@H]2OCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285912537 999925147 /nfs/dbraw/zinc/92/51/47/999925147.db2.gz UAPNYHJXCGDBCS-IRXDYDNUSA-N 0 3 362.430 1.718 20 5 FDBDHN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000289258394 1000085482 /nfs/dbraw/zinc/08/54/82/1000085482.db2.gz QKZGXDSULCAXTB-CJNGLKHVSA-N 0 3 360.418 1.782 20 5 FDBDHN CN(C)C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000289272541 1000086497 /nfs/dbraw/zinc/08/64/97/1000086497.db2.gz RTGKLMJTIUKHEN-HNNXBMFYSA-N 0 3 364.381 1.533 20 5 FDBDHN C[C@H]1[C@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCN1C ZINC000928437602 1001520820 /nfs/dbraw/zinc/52/08/20/1001520820.db2.gz XQRFFBBEXMTAFT-JOYOIKCWSA-N 0 3 368.340 1.242 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438303 1001521337 /nfs/dbraw/zinc/52/13/37/1001521337.db2.gz DXFROTIVAWWKAE-UKPHBRMFSA-N 0 3 374.441 1.717 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)C[C@]3(O)CCOC3)C2)cc1 ZINC000930639413 1003352234 /nfs/dbraw/zinc/35/22/34/1003352234.db2.gz REFIGSKZKFHWCL-KBAYOESNSA-N 0 3 350.415 1.677 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000931186381 1003944457 /nfs/dbraw/zinc/94/44/57/1003944457.db2.gz MQJHWTIWMOIZLJ-HUUCEWRRSA-N 0 3 351.378 1.646 20 5 FDBDHN CN(C(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000934265044 1005725217 /nfs/dbraw/zinc/72/52/17/1005725217.db2.gz QOEIXCXDRJLLPW-IAGOWNOFSA-N 0 3 362.430 1.089 20 5 FDBDHN Cc1cc2cn[nH]c2c(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000947438629 1007585881 /nfs/dbraw/zinc/58/58/81/1007585881.db2.gz UNJOHXBDOKRRGH-UKRRQHHQSA-N 0 3 371.397 1.257 20 5 FDBDHN Cc1cc2c[nH]nc2c(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000947438629 1007585889 /nfs/dbraw/zinc/58/58/89/1007585889.db2.gz UNJOHXBDOKRRGH-UKRRQHHQSA-N 0 3 371.397 1.257 20 5 FDBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000956369343 1008051976 /nfs/dbraw/zinc/05/19/76/1008051976.db2.gz SBDWGUDODSYCTH-ZIAGYGMSSA-N 0 3 371.397 1.339 20 5 FDBDHN C[C@@H]1CN(CCN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195309541 178255064 /nfs/dbraw/zinc/25/50/64/178255064.db2.gz FCINSIWQLZRCFW-HLLBOEOZSA-N 0 3 367.446 1.376 20 5 FDBDHN COCCNCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237346097 178309550 /nfs/dbraw/zinc/30/95/50/178309550.db2.gz JJQIZWOOJJPXLP-UHFFFAOYSA-N 0 3 350.400 1.684 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000072089504 210065423 /nfs/dbraw/zinc/06/54/23/210065423.db2.gz BTBUREMTHRXBJC-LLVKDONJSA-N 0 3 364.358 1.964 20 5 FDBDHN Cn1cc(CNC[C@@H]2CN(C)CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264776021 179196118 /nfs/dbraw/zinc/19/61/18/179196118.db2.gz SPRPYBHGRSDWBG-QGZVFWFLSA-N 0 3 358.446 1.331 20 5 FDBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268596926 180123295 /nfs/dbraw/zinc/12/32/95/180123295.db2.gz TZIICPDPYSHDKG-INIZCTEOSA-N 0 3 357.414 1.914 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000269145818 180226946 /nfs/dbraw/zinc/22/69/46/180226946.db2.gz PCYAZBNJZXBKRP-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000269156450 180229771 /nfs/dbraw/zinc/22/97/71/180229771.db2.gz HSIUCKXMIFKMMG-UHFFFAOYSA-N 0 3 372.341 1.560 20 5 FDBDHN CC(C)c1[n-]nc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269335819 180278436 /nfs/dbraw/zinc/27/84/36/180278436.db2.gz BFBRVZIIQDRLIH-UHFFFAOYSA-N 0 3 374.401 1.854 20 5 FDBDHN COC(=O)C[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000269664540 180355198 /nfs/dbraw/zinc/35/51/98/180355198.db2.gz PTWSNFLZPPNTIE-GFCCVEGCSA-N 0 3 365.386 1.960 20 5 FDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269594083 180336694 /nfs/dbraw/zinc/33/66/94/180336694.db2.gz FSDLLSHSPDLWCR-MJBXVCDLSA-N 0 3 350.419 1.239 20 5 FDBDHN CS[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270685856 180517263 /nfs/dbraw/zinc/51/72/63/180517263.db2.gz WDMDHGZBRQJHCF-GJZGRUSLSA-N 0 3 352.460 1.535 20 5 FDBDHN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397059 540159437 /nfs/dbraw/zinc/15/94/37/540159437.db2.gz URDAWZVRBFWTCY-UHFFFAOYSA-N 0 3 369.425 1.537 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000533202840 540215315 /nfs/dbraw/zinc/21/53/15/540215315.db2.gz PKCYXVNSGXQMSE-DOMZBBRYSA-N 0 3 361.398 1.922 20 5 FDBDHN COCCO[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000534130151 540327558 /nfs/dbraw/zinc/32/75/58/540327558.db2.gz QNPXRUKWHOPIDI-DOTOQJQBSA-N 0 3 354.403 1.462 20 5 FDBDHN CN(CCN1CCCC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534857720 540421410 /nfs/dbraw/zinc/42/14/10/540421410.db2.gz ZFVPCYUYKHUYHE-UHFFFAOYSA-N 0 3 350.375 1.290 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534951789 540431103 /nfs/dbraw/zinc/43/11/03/540431103.db2.gz MEWZXZWQUARQCJ-KCPJHIHWSA-N 0 3 352.460 1.899 20 5 FDBDHN COC[C@H](CC(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537981453 540794685 /nfs/dbraw/zinc/79/46/85/540794685.db2.gz MKLXYMKDYFQMKE-ZDUSSCGKSA-N 0 3 359.448 1.524 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(CCO)CCN(C)CC2)c1 ZINC000538423733 540856328 /nfs/dbraw/zinc/85/63/28/540856328.db2.gz LATJAMZPEGWFJX-UHFFFAOYSA-N 0 3 365.430 1.635 20 5 FDBDHN COc1ccc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000540688991 541089127 /nfs/dbraw/zinc/08/91/27/541089127.db2.gz XIKACIHYEIPJNF-XJKSGUPXSA-N 0 3 370.427 1.429 20 5 FDBDHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000541572396 541231056 /nfs/dbraw/zinc/23/10/56/541231056.db2.gz ILNJRBZZINLSGU-UHFFFAOYSA-N 0 3 351.812 1.105 20 5 FDBDHN NC(=O)C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000541635816 541238205 /nfs/dbraw/zinc/23/82/05/541238205.db2.gz HHGHZLLPLGEFSI-OAHLLOKOSA-N 0 3 365.386 1.222 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000542136550 541345326 /nfs/dbraw/zinc/34/53/26/541345326.db2.gz MHOULEJLFBRSRS-DMEJVMROSA-N 0 3 360.414 1.911 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283755485 182266593 /nfs/dbraw/zinc/26/65/93/182266593.db2.gz LXQBTLWUPYEXNH-UHFFFAOYSA-N 0 3 362.430 1.788 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269886569 674129541 /nfs/dbraw/zinc/12/95/41/674129541.db2.gz XETNOVKQRMOMLR-UHFFFAOYSA-N 0 3 357.432 1.108 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000286171279 183005157 /nfs/dbraw/zinc/00/51/57/183005157.db2.gz QYHFAGTVRPWCGK-AWEZNQCLSA-N 0 3 361.402 1.922 20 5 FDBDHN CN1CCN(CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000286265237 183026598 /nfs/dbraw/zinc/02/65/98/183026598.db2.gz VBXHHCFCJGAEPQ-UHFFFAOYSA-N 0 3 374.401 1.196 20 5 FDBDHN CN1CC[NH+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2)CC1 ZINC000286265237 183026599 /nfs/dbraw/zinc/02/65/99/183026599.db2.gz VBXHHCFCJGAEPQ-UHFFFAOYSA-N 0 3 374.401 1.196 20 5 FDBDHN CCN1CCN(CCCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286208718 183014268 /nfs/dbraw/zinc/01/42/68/183014268.db2.gz SAMDTTIGYDDIKC-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286610589 183109252 /nfs/dbraw/zinc/10/92/52/183109252.db2.gz XXFRFHFGWIURDW-AWEZNQCLSA-N 0 3 359.386 1.339 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295526296 184080395 /nfs/dbraw/zinc/08/03/95/184080395.db2.gz VARVVELNWRLHHD-SJORKVTESA-N 0 3 362.430 1.637 20 5 FDBDHN CC(C)(C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)C(N)=O ZINC000295543767 184081800 /nfs/dbraw/zinc/08/18/00/184081800.db2.gz JTYPKEJMSMAEOC-CYBMUJFWSA-N 0 3 350.419 1.370 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295722799 184098135 /nfs/dbraw/zinc/09/81/35/184098135.db2.gz QRVVGXPZOAUUEZ-UONOGXRCSA-N 0 3 374.441 1.656 20 5 FDBDHN CC1(C)C[C@@H](NC[C@@]2(O)CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296587659 184181145 /nfs/dbraw/zinc/18/11/45/184181145.db2.gz UTXRHCAVWDGTSE-ZBFHGGJFSA-N 0 3 354.428 1.456 20 5 FDBDHN COc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000296864786 184208954 /nfs/dbraw/zinc/20/89/54/184208954.db2.gz PHYCRLHJPCMKKS-ZDUSSCGKSA-N 0 3 352.391 1.572 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297721418 184316398 /nfs/dbraw/zinc/31/63/98/184316398.db2.gz BLRTYOGLAQZAAO-UHFFFAOYSA-N 0 3 368.821 1.987 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000548082366 542550267 /nfs/dbraw/zinc/55/02/67/542550267.db2.gz DSKNJQGXDYTDOZ-UHFFFAOYSA-N 0 3 358.402 1.708 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OCCO)C1 ZINC000172302695 258272814 /nfs/dbraw/zinc/27/28/14/258272814.db2.gz VLRWJWSZIXOSQH-HNNXBMFYSA-N 0 3 351.403 1.705 20 5 FDBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000550174966 543028899 /nfs/dbraw/zinc/02/88/99/543028899.db2.gz NDJGAOYZIJKEFQ-CYBMUJFWSA-N 0 3 365.411 1.416 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000067829732 172013813 /nfs/dbraw/zinc/01/38/13/172013813.db2.gz GQJRLMCYEPHVOP-UHFFFAOYSA-N 0 3 371.441 1.923 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970682 172035183 /nfs/dbraw/zinc/03/51/83/172035183.db2.gz JNWCFBDWMRDQQB-ZDUSSCGKSA-N 0 3 365.434 1.455 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970682 172035184 /nfs/dbraw/zinc/03/51/84/172035184.db2.gz JNWCFBDWMRDQQB-ZDUSSCGKSA-N 0 3 365.434 1.455 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000072797724 172049505 /nfs/dbraw/zinc/04/95/05/172049505.db2.gz ZIVQDRCGJWFBDU-HNNXBMFYSA-N 0 3 364.446 1.620 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000079056911 172157307 /nfs/dbraw/zinc/15/73/07/172157307.db2.gz UFKCEVRWAIWDSY-UHFFFAOYSA-N 0 3 365.434 1.751 20 5 FDBDHN CN(C)CCN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000080393446 172173373 /nfs/dbraw/zinc/17/33/73/172173373.db2.gz CZSGZUVHGPACSA-UHFFFAOYSA-N 0 3 350.375 1.303 20 5 FDBDHN CCc1nn(C)c(NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000094154515 172324113 /nfs/dbraw/zinc/32/41/13/172324113.db2.gz FQFQTUUPDLUULY-UHFFFAOYSA-N 0 3 374.445 1.794 20 5 FDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCNC1=O ZINC000128508734 173111250 /nfs/dbraw/zinc/11/12/50/173111250.db2.gz NRLRYNGEEVDOPN-CQSZACIVSA-N 0 3 352.366 1.663 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131407329 173200814 /nfs/dbraw/zinc/20/08/14/173200814.db2.gz TWDIEILLPTYRBO-QGZVFWFLSA-N 0 3 362.430 1.388 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150806997 173381566 /nfs/dbraw/zinc/38/15/66/173381566.db2.gz MRJSMBTUFGMNDR-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000150819280 173382726 /nfs/dbraw/zinc/38/27/26/173382726.db2.gz XKUDSVCIOMKIRB-OCCSQVGLSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000162749049 173776209 /nfs/dbraw/zinc/77/62/09/173776209.db2.gz GYEWMCUKAATWDX-ZIAGYGMSSA-N 0 3 364.446 1.629 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177294217 174120175 /nfs/dbraw/zinc/12/01/75/174120175.db2.gz PEZGNLRGGQTMEI-LZWOXQAQSA-N 0 3 360.414 1.089 20 5 FDBDHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181645306 174238485 /nfs/dbraw/zinc/23/84/85/174238485.db2.gz DIHQLRHDFGBGJD-GJZGRUSLSA-N 0 3 365.430 1.573 20 5 FDBDHN COc1cc(C)c([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000179636330 258354984 /nfs/dbraw/zinc/35/49/84/258354984.db2.gz QYTBSELUXUSNBD-OCCSQVGLSA-N 0 3 364.402 1.829 20 5 FDBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179207453 258346334 /nfs/dbraw/zinc/34/63/34/258346334.db2.gz NYVJHPCAQIMYDE-CYBMUJFWSA-N 0 3 366.418 1.603 20 5 FDBDHN CC(=O)NCC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000554291538 543776321 /nfs/dbraw/zinc/77/63/21/543776321.db2.gz XTRSXODCJBCPPW-NVXWUHKLSA-N 0 3 365.430 1.573 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCN(c2ncccn2)C1 ZINC000554720169 543859753 /nfs/dbraw/zinc/85/97/53/543859753.db2.gz KPOAXPMSDLDJBB-GJZGRUSLSA-N 0 3 373.413 1.383 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CCO)C2CCOCC2)cc1 ZINC000570613928 549345044 /nfs/dbraw/zinc/34/50/44/549345044.db2.gz HFFIAUKXQHXTJC-MRXNPFEDSA-N 0 3 372.443 1.136 20 5 FDBDHN C[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294312438 258923426 /nfs/dbraw/zinc/92/34/26/258923426.db2.gz NYTMBTGKQOHGKU-UCMVZMLTSA-N 0 3 372.429 1.923 20 5 FDBDHN Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298723596 258944082 /nfs/dbraw/zinc/94/40/82/258944082.db2.gz HFKIXQOPDBEZTF-CYBMUJFWSA-N 0 3 372.429 1.946 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCN1CCc2ccccc2C1 ZINC000299495426 259001901 /nfs/dbraw/zinc/00/19/01/259001901.db2.gz JFBYSBYLUFLWNO-UHFFFAOYSA-N 0 3 370.409 1.321 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000299517726 259003270 /nfs/dbraw/zinc/00/32/70/259003270.db2.gz CQDJJEOZCHQLEE-HIFRSBDPSA-N 0 3 362.430 1.949 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000299525043 259004134 /nfs/dbraw/zinc/00/41/34/259004134.db2.gz QACGTNQERWXJPR-KRWDZBQOSA-N 0 3 370.409 1.710 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301124459 259021595 /nfs/dbraw/zinc/02/15/95/259021595.db2.gz SJLIMHGVKLWRFC-CQSZACIVSA-N 0 3 352.822 1.991 20 5 FDBDHN CS[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000331117281 259176954 /nfs/dbraw/zinc/17/69/54/259176954.db2.gz NYBIJVKIUHHFDR-ZIAGYGMSSA-N 0 3 359.398 1.920 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000368352296 260170394 /nfs/dbraw/zinc/17/03/94/260170394.db2.gz QFJVIEIIHLAWTQ-SFHVURJKSA-N 0 3 360.414 1.269 20 5 FDBDHN COC(=O)[C@]12CCC[C@@H]1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000368611008 260208920 /nfs/dbraw/zinc/20/89/20/260208920.db2.gz DVYGNXCHAKCCQH-LBTNJELSSA-N 0 3 364.398 1.610 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000368958291 260267266 /nfs/dbraw/zinc/26/72/66/260267266.db2.gz KIPFIPPWOHXEBG-ZDUSSCGKSA-N 0 3 358.398 1.672 20 5 FDBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368964428 260269206 /nfs/dbraw/zinc/26/92/06/260269206.db2.gz ONSDHGWEUNQWFN-AHIWAGSCSA-N 0 3 360.414 1.818 20 5 FDBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368964433 260269333 /nfs/dbraw/zinc/26/93/33/260269333.db2.gz ONSDHGWEUNQWFN-OGHNNQOOSA-N 0 3 360.414 1.818 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368973750 260270291 /nfs/dbraw/zinc/27/02/91/260270291.db2.gz LIRDZVPEUHFTBT-JDFRZJQESA-N 0 3 360.414 1.818 20 5 FDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000369273527 260328521 /nfs/dbraw/zinc/32/85/21/260328521.db2.gz HGHXNNQJTPORHV-GFCCVEGCSA-N 0 3 350.394 1.632 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(CO)Cc3ccccc3C2)c1 ZINC000369328388 260341796 /nfs/dbraw/zinc/34/17/96/260341796.db2.gz CAHAFIPGDVRSFO-QGZVFWFLSA-N 0 3 358.394 1.454 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(CCN3CCOCC3)C2)nc2sccn21 ZINC000369348004 260345241 /nfs/dbraw/zinc/34/52/41/260345241.db2.gz RKWAGDAPTILRHJ-GFCCVEGCSA-N 0 3 366.447 1.122 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000373920417 261052518 /nfs/dbraw/zinc/05/25/18/261052518.db2.gz FSBVLGKBVLLPOU-AWEZNQCLSA-N 0 3 360.414 1.929 20 5 FDBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000374330471 261111320 /nfs/dbraw/zinc/11/13/20/261111320.db2.gz NXHTVMMAJLYGPH-MAUKXSAKSA-N 0 3 360.458 1.622 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000374606394 261160846 /nfs/dbraw/zinc/16/08/46/261160846.db2.gz VJSRMKCPVJRRNM-DLBZAZTESA-N 0 3 362.430 1.642 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000270467149 674213934 /nfs/dbraw/zinc/21/39/34/674213934.db2.gz LLOILORHUBGSAY-DOMZBBRYSA-N 0 3 369.443 1.730 20 5 FDBDHN O=[N+]([O-])c1cccc2ncnc(NCCCCN3CCN(CCO)CC3)c21 ZINC000542505903 490899095 /nfs/dbraw/zinc/89/90/95/490899095.db2.gz CENKNJJWWGRMDV-UHFFFAOYSA-N 0 3 374.445 1.340 20 5 FDBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1OC ZINC000609074600 492197389 /nfs/dbraw/zinc/19/73/89/492197389.db2.gz WRGXBAVIGCJVDZ-LLVKDONJSA-N 0 3 362.390 1.121 20 5 FDBDHN COc1cccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008167460 518460944 /nfs/dbraw/zinc/46/09/44/518460944.db2.gz BBSQDAWQXQHQAR-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000041321234 519652002 /nfs/dbraw/zinc/65/20/02/519652002.db2.gz XQSRQWIAMIHXKZ-ZDUSSCGKSA-N 0 3 366.418 1.634 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000069149602 521820781 /nfs/dbraw/zinc/82/07/81/521820781.db2.gz GXEAOZIZGNTWGT-UHFFFAOYSA-N 0 3 371.397 1.900 20 5 FDBDHN CCN1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000043291788 521847172 /nfs/dbraw/zinc/84/71/72/521847172.db2.gz PLYBUWGELZIGIO-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000060380149 522370485 /nfs/dbraw/zinc/37/04/85/522370485.db2.gz IGQIFPYVGLGZOX-AWEZNQCLSA-N 0 3 363.462 1.640 20 5 FDBDHN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)NC1CCN(C2CC2)CC1 ZINC000063430045 522589848 /nfs/dbraw/zinc/58/98/48/522589848.db2.gz UFWLFGZXLJTUOX-UHFFFAOYSA-N 0 3 372.223 1.297 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067137346 523331897 /nfs/dbraw/zinc/33/18/97/523331897.db2.gz OHMOHOYWWWDAOI-ZDUSSCGKSA-N 0 3 358.402 1.637 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000068497278 523803218 /nfs/dbraw/zinc/80/32/18/523803218.db2.gz CXCPPMULHIZDTD-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000080116894 523835590 /nfs/dbraw/zinc/83/55/90/523835590.db2.gz FQCYNBXTAQQEOY-CVEARBPZSA-N 0 3 362.430 1.992 20 5 FDBDHN CN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110710505 524127320 /nfs/dbraw/zinc/12/73/20/524127320.db2.gz BQPTZYLPAMROTO-ZDUSSCGKSA-N 0 3 364.402 1.347 20 5 FDBDHN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@H]1CN ZINC000156969823 524184651 /nfs/dbraw/zinc/18/46/51/524184651.db2.gz RUXVGQJDETXTAQ-YGRLFVJLSA-N 0 3 355.416 1.198 20 5 FDBDHN COCCN1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000138622590 524260371 /nfs/dbraw/zinc/26/03/71/524260371.db2.gz BPSNXVHEVRYQRC-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000148547592 524452061 /nfs/dbraw/zinc/45/20/61/524452061.db2.gz XLJMBQLPZONHTI-UHFFFAOYSA-N 0 3 364.402 1.069 20 5 FDBDHN CCCCN(C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112311535 524459316 /nfs/dbraw/zinc/45/93/16/524459316.db2.gz FGHSDYAPUSXREA-CYBMUJFWSA-N 0 3 350.419 1.561 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000122352953 524515174 /nfs/dbraw/zinc/51/51/74/524515174.db2.gz BKYLGNKRFKAMIW-YPMHNXCESA-N 0 3 357.407 1.839 20 5 FDBDHN CC1(C)C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000090015348 524574575 /nfs/dbraw/zinc/57/45/75/524574575.db2.gz WJNUFMBRMBMAJX-AWEZNQCLSA-N 0 3 371.459 1.809 20 5 FDBDHN CN1CCC[C@H](CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000091483056 524716090 /nfs/dbraw/zinc/71/60/90/524716090.db2.gz JYJWDCJTIDRKJB-CQSZACIVSA-N 0 3 362.430 1.821 20 5 FDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174780397 524736320 /nfs/dbraw/zinc/73/63/20/524736320.db2.gz GOEDEAHRZJUYDJ-SFHVURJKSA-N 0 3 373.457 1.749 20 5 FDBDHN O=C(NCC1CCN(CCO)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160010309 524788329 /nfs/dbraw/zinc/78/83/29/524788329.db2.gz WUYUMZJLQGIRJD-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152454635 524891733 /nfs/dbraw/zinc/89/17/33/524891733.db2.gz RYXGPAAHXPVFOF-RCMYXZNBSA-N 0 3 372.425 1.373 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000152659865 524961970 /nfs/dbraw/zinc/96/19/70/524961970.db2.gz LGJIOTZEJWJYGW-CQSZACIVSA-N 0 3 351.403 1.274 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc([N+](=O)[O-])c1 ZINC000152767397 524999391 /nfs/dbraw/zinc/99/93/91/524999391.db2.gz MDEJQAIUUQMUAD-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153272824 525163826 /nfs/dbraw/zinc/16/38/26/525163826.db2.gz JQDDPURBLQYKBY-MRXNPFEDSA-N 0 3 361.358 1.725 20 5 FDBDHN C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000153484160 525225978 /nfs/dbraw/zinc/22/59/78/525225978.db2.gz IEWXIYAVFLVQJG-NWDGAFQWSA-N 0 3 368.459 1.882 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000162239957 525232773 /nfs/dbraw/zinc/23/27/73/525232773.db2.gz NEJSXRCKGZVSJP-MRXNPFEDSA-N 0 3 350.394 1.472 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104555707 525419646 /nfs/dbraw/zinc/41/96/46/525419646.db2.gz ZBBNXDFXLIHNHO-UHFFFAOYSA-N 0 3 350.419 1.819 20 5 FDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000154170410 525448165 /nfs/dbraw/zinc/44/81/65/525448165.db2.gz PQZROULZOPLUFW-UHFFFAOYSA-N 0 3 358.402 1.561 20 5 FDBDHN CC(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000127806420 525466568 /nfs/dbraw/zinc/46/65/68/525466568.db2.gz ORXJTTUCCSWNCE-INIZCTEOSA-N 0 3 364.446 1.346 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1F ZINC000154274666 525478901 /nfs/dbraw/zinc/47/89/01/525478901.db2.gz UHPMKOORTCZCNF-LLVKDONJSA-N 0 3 357.407 1.805 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179514463 525595023 /nfs/dbraw/zinc/59/50/23/525595023.db2.gz KJDCHDRZMDBJHG-BETUJISGSA-N 0 3 373.413 1.857 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179748736 525622441 /nfs/dbraw/zinc/62/24/41/525622441.db2.gz DBHZKLJVCPTAGG-CRAIPNDOSA-N 0 3 374.397 1.664 20 5 FDBDHN CC(C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000180061615 525656229 /nfs/dbraw/zinc/65/62/29/525656229.db2.gz VNSVFTXTARRSKH-INIZCTEOSA-N 0 3 351.403 1.447 20 5 FDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119601081 525801606 /nfs/dbraw/zinc/80/16/06/525801606.db2.gz AICXJYWZTLIADX-SWLSCSKDSA-N 0 3 357.414 1.887 20 5 FDBDHN Cc1cc(=O)c(C(=O)N[C@H](CN)CC(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000155422208 525859337 /nfs/dbraw/zinc/85/93/37/525859337.db2.gz IACYHGNYJNLOJN-ZDUSSCGKSA-N 0 3 373.413 1.552 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000156117484 526059289 /nfs/dbraw/zinc/05/92/89/526059289.db2.gz PSQYKKZFUHARBS-ZBFHGGJFSA-N 0 3 353.444 1.841 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000182238130 526104846 /nfs/dbraw/zinc/10/48/46/526104846.db2.gz NHIBKSMWXWNTMQ-LSDHHAIUSA-N 0 3 361.402 1.338 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000182251309 526112860 /nfs/dbraw/zinc/11/28/60/526112860.db2.gz VVSVRSYWYNFQNY-MRXNPFEDSA-N 0 3 365.430 1.131 20 5 FDBDHN CC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000183749913 536043012 /nfs/dbraw/zinc/04/30/12/536043012.db2.gz XBSLEFHKOORHLJ-HKUYNNGSSA-N 0 3 373.457 1.749 20 5 FDBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184070228 536090475 /nfs/dbraw/zinc/09/04/75/536090475.db2.gz QGFOXSANBXKYKO-GFCCVEGCSA-N 0 3 352.439 1.026 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000184396276 536145713 /nfs/dbraw/zinc/14/57/13/536145713.db2.gz RHEJWSDANLBEKS-HNNXBMFYSA-N 0 3 363.462 1.173 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000184868356 536188584 /nfs/dbraw/zinc/18/85/84/536188584.db2.gz PFSLLAMJFHGZOG-KRWDZBQOSA-N 0 3 363.458 1.984 20 5 FDBDHN C[C@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185257299 536203715 /nfs/dbraw/zinc/20/37/15/536203715.db2.gz XBOBDMXOBYQKHP-AWEZNQCLSA-N 0 3 366.437 1.933 20 5 FDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000185618999 536213808 /nfs/dbraw/zinc/21/38/08/536213808.db2.gz BXHFRYWURPHOCE-GFCCVEGCSA-N 0 3 364.427 1.858 20 5 FDBDHN CN(C)C1(CN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1 ZINC000186998492 536252138 /nfs/dbraw/zinc/25/21/38/536252138.db2.gz RMOHXNUIOVDMMW-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188715701 536933492 /nfs/dbraw/zinc/93/34/92/536933492.db2.gz WRSBQYYOVXKNQO-LLVKDONJSA-N 0 3 353.423 1.188 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188715701 536933496 /nfs/dbraw/zinc/93/34/96/536933496.db2.gz WRSBQYYOVXKNQO-LLVKDONJSA-N 0 3 353.423 1.188 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000246365294 536936754 /nfs/dbraw/zinc/93/67/54/536936754.db2.gz ACADYAGPCPTKFN-LSDHHAIUSA-N 0 3 361.398 1.729 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000246639844 536994309 /nfs/dbraw/zinc/99/43/09/536994309.db2.gz DHKQLJWAUBDNOS-BBRMVZONSA-N 0 3 360.414 1.866 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000189213981 537012858 /nfs/dbraw/zinc/01/28/58/537012858.db2.gz GQOHOKMCBGYJNT-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000189527042 537060449 /nfs/dbraw/zinc/06/04/49/537060449.db2.gz FSFJZWWEVSMCIU-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000263834629 537112944 /nfs/dbraw/zinc/11/29/44/537112944.db2.gz UBXNYEYMPNQOBO-STQMWFEESA-N 0 3 350.419 1.884 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247409215 537117300 /nfs/dbraw/zinc/11/73/00/537117300.db2.gz PZGKXWJKSFFADJ-XEZPLFJOSA-N 0 3 360.414 1.408 20 5 FDBDHN CNS(=O)(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000190302471 537162790 /nfs/dbraw/zinc/16/27/90/537162790.db2.gz FINFXZHZYIZYPV-UHFFFAOYSA-N 0 3 355.441 1.962 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426448 537180169 /nfs/dbraw/zinc/18/01/69/537180169.db2.gz LBUCEAWOKNHIIX-DZGCQCFKSA-N 0 3 353.444 1.841 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285797239 537290966 /nfs/dbraw/zinc/29/09/66/537290966.db2.gz ZWPSVSUBFIUVRM-ONXXMXGDSA-N 0 3 369.443 1.849 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276307184 537409464 /nfs/dbraw/zinc/40/94/64/537409464.db2.gz LFCIDZXQNCGUGR-UHFFFAOYSA-N 0 3 352.410 1.720 20 5 FDBDHN CC(C)N1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273371598 537438707 /nfs/dbraw/zinc/43/87/07/537438707.db2.gz FGWIZCVDZGCUGI-UHFFFAOYSA-N 0 3 355.460 1.831 20 5 FDBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000271719096 537483658 /nfs/dbraw/zinc/48/36/58/537483658.db2.gz KZXLAGAIRUFQGW-SNVBAGLBSA-N 0 3 351.359 1.667 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000280956269 537485353 /nfs/dbraw/zinc/48/53/53/537485353.db2.gz MWVDLCWFMIFHLS-UHFFFAOYSA-N 0 3 364.446 1.703 20 5 FDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000293920510 537625865 /nfs/dbraw/zinc/62/58/65/537625865.db2.gz IKMLHRIVFCPCCS-GOSISDBHSA-N 0 3 361.398 1.924 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291714262 537665736 /nfs/dbraw/zinc/66/57/36/537665736.db2.gz ITHDYHYLBBWWDN-QUCCMNQESA-N 0 3 372.421 1.971 20 5 FDBDHN CCc1n[nH]c(C(=O)N(CCCOC)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000291800818 537678408 /nfs/dbraw/zinc/67/84/08/537678408.db2.gz BEXNCIFIEYYBLP-UHFFFAOYSA-N 0 3 353.423 1.453 20 5 FDBDHN CCc1[nH]nc(C(=O)N(CCCOC)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000291800818 537678409 /nfs/dbraw/zinc/67/84/09/537678409.db2.gz BEXNCIFIEYYBLP-UHFFFAOYSA-N 0 3 353.423 1.453 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291932021 537691983 /nfs/dbraw/zinc/69/19/83/537691983.db2.gz SWDVWTHXYVGVIG-RTBURBONSA-N 0 3 374.441 1.469 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CN1CCO ZINC000416310513 537801248 /nfs/dbraw/zinc/80/12/48/537801248.db2.gz NYKAMPWMPXRBHU-OLZOCXBDSA-N 0 3 373.413 1.512 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H]3C(=O)NC[C@H]32)c([N+](=O)[O-])c1 ZINC000411681312 537822831 /nfs/dbraw/zinc/82/28/31/537822831.db2.gz YVESTHUIWBUFCT-IUODEOHRSA-N 0 3 362.386 1.142 20 5 FDBDHN CCn1nc2c(cc1=O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000368696582 537988905 /nfs/dbraw/zinc/98/89/05/537988905.db2.gz YKNBWLPSXLIVRI-UHFFFAOYSA-N 0 3 371.397 1.558 20 5 FDBDHN Cc1c([C@@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000372778446 538025505 /nfs/dbraw/zinc/02/55/05/538025505.db2.gz CGUCCTKNBSHEED-IAGOWNOFSA-N 0 3 362.474 1.960 20 5 FDBDHN Cc1c(C(=O)NCCCCN2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000432543443 538156571 /nfs/dbraw/zinc/15/65/71/538156571.db2.gz AWPIYMDJWJFGII-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000420445178 538296034 /nfs/dbraw/zinc/29/60/34/538296034.db2.gz SCATXDCNEOIYEU-NKWVEPMBSA-N 0 3 352.210 1.371 20 5 FDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420468357 538299438 /nfs/dbraw/zinc/29/94/38/538299438.db2.gz XYQGLKJDMBZGFN-SECBINFHSA-N 0 3 355.338 1.875 20 5 FDBDHN N[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000429101999 538334101 /nfs/dbraw/zinc/33/41/01/538334101.db2.gz UNIZIEQBWGHTRY-KGLIPLIRSA-N 0 3 372.381 1.609 20 5 FDBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000457359317 538487685 /nfs/dbraw/zinc/48/76/85/538487685.db2.gz GAHZMXZOPXXDGV-KSSFIOAISA-N 0 3 373.413 1.799 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000454137334 538519210 /nfs/dbraw/zinc/51/92/10/538519210.db2.gz SACKVGKNKHEYHO-ZDUSSCGKSA-N 0 3 352.391 1.572 20 5 FDBDHN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCCN(C)C ZINC000560562506 545544943 /nfs/dbraw/zinc/54/49/43/545544943.db2.gz HLCVQKAFNKXQJX-SNVBAGLBSA-N 0 3 364.427 1.606 20 5 FDBDHN CNC(=O)[C@H](CCSC)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489935577 538846869 /nfs/dbraw/zinc/84/68/69/538846869.db2.gz OUDSIDHOWKNSSH-FZMZJTMJSA-N 0 3 368.459 1.769 20 5 FDBDHN CNc1nccc(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000561270841 545780998 /nfs/dbraw/zinc/78/09/98/545780998.db2.gz VWURSHCSWAQBAE-UHFFFAOYSA-N 0 3 365.434 1.651 20 5 FDBDHN N[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000562981231 546339943 /nfs/dbraw/zinc/33/99/43/546339943.db2.gz WYTNJBIHJCLYRO-GFCCVEGCSA-N 0 3 355.350 1.896 20 5 FDBDHN CNCc1ccccc1NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000564186738 546835634 /nfs/dbraw/zinc/83/56/34/546835634.db2.gz AZCRHUXNYWCSCA-UHFFFAOYSA-N 0 3 368.393 1.838 20 5 FDBDHN COc1cc2c(cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)O[C@@H](C)C2 ZINC000564852519 547068787 /nfs/dbraw/zinc/06/87/87/547068787.db2.gz MOMCIKDEFSAUSQ-NHYWBVRUSA-N 0 3 362.386 1.274 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OC3CCCC3)nc2)c1 ZINC000566106783 547607097 /nfs/dbraw/zinc/60/70/97/547607097.db2.gz ZNRPPMXLQRSDIZ-OAHLLOKOSA-N 0 3 361.402 1.658 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000566320674 547712343 /nfs/dbraw/zinc/71/23/43/547712343.db2.gz UNHIXNIQOGDFLV-SFHVURJKSA-N 0 3 357.414 1.881 20 5 FDBDHN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000566473436 547774284 /nfs/dbraw/zinc/77/42/84/547774284.db2.gz AVHBICDNYCMMFX-YOEHRIQHSA-N 0 3 374.441 1.105 20 5 FDBDHN C[C@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566585486 547816848 /nfs/dbraw/zinc/81/68/48/547816848.db2.gz RPMLCMZXUANAMB-BBRMVZONSA-N 0 3 370.475 1.906 20 5 FDBDHN Nc1nccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000566747274 547873446 /nfs/dbraw/zinc/87/34/46/547873446.db2.gz FFCKSFNUWVEXLZ-AWEZNQCLSA-N 0 3 355.398 1.824 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566831029 547899736 /nfs/dbraw/zinc/89/97/36/547899736.db2.gz IWUYXFGYBURGRS-KRWDZBQOSA-N 0 3 372.425 1.954 20 5 FDBDHN CCOc1cc(N2CCN(CC[C@@H]3CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000566981396 547952420 /nfs/dbraw/zinc/95/24/20/547952420.db2.gz CFAOYUYACXWVER-AWEZNQCLSA-N 0 3 362.430 1.642 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000569706758 549019894 /nfs/dbraw/zinc/01/98/94/549019894.db2.gz PFIDHUGGCXSEDB-CHWSQXEVSA-N 0 3 365.459 1.683 20 5 FDBDHN CN(C)C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000570274206 549220325 /nfs/dbraw/zinc/22/03/25/549220325.db2.gz XYKRXIXWGUQRHG-UHFFFAOYSA-N 0 3 355.460 1.833 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)C1 ZINC000573034482 550049196 /nfs/dbraw/zinc/04/91/96/550049196.db2.gz YBUCKFBAPNAAMA-KRWDZBQOSA-N 0 3 365.455 1.847 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000573707756 550198060 /nfs/dbraw/zinc/19/80/60/550198060.db2.gz KQTGGHZJXJHMSM-ZDUSSCGKSA-N 0 3 374.441 1.685 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)ccc1[N+](=O)[O-] ZINC000574677561 550352901 /nfs/dbraw/zinc/35/29/01/550352901.db2.gz HPPIFRUXEVEPTE-LSDHHAIUSA-N 0 3 360.414 1.328 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCNC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000576754999 550582357 /nfs/dbraw/zinc/58/23/57/550582357.db2.gz ALXFZLIWMJWNTR-CYBMUJFWSA-N 0 3 358.345 1.471 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000577417115 550654276 /nfs/dbraw/zinc/65/42/76/550654276.db2.gz LDTIYEVTACIRNB-UKRRQHHQSA-N 0 3 352.387 1.930 20 5 FDBDHN Cc1ccccc1C[C@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580646370 551004316 /nfs/dbraw/zinc/00/43/16/551004316.db2.gz HAZNGSAHOMSNTR-AEFFLSMTSA-N 0 3 360.410 1.836 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000582116988 551178203 /nfs/dbraw/zinc/17/82/03/551178203.db2.gz ABUGEHBZLSOXTB-LBPRGKRZSA-N 0 3 350.400 1.239 20 5 FDBDHN CSC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000589295163 551723352 /nfs/dbraw/zinc/72/33/52/551723352.db2.gz AELZVLGGKVTAQX-UHFFFAOYSA-N 0 3 359.473 1.701 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590442314 551784805 /nfs/dbraw/zinc/78/48/05/551784805.db2.gz FKAFMPHMXWGUBI-IUODEOHRSA-N 0 3 374.397 1.445 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000592104204 551942206 /nfs/dbraw/zinc/94/22/06/551942206.db2.gz OPDZIVKNPDUJCK-UHFFFAOYSA-N 0 3 373.406 1.219 20 5 FDBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592193956 551956400 /nfs/dbraw/zinc/95/64/00/551956400.db2.gz GCTPPKZACZSUTJ-JSGCOSHPSA-N 0 3 365.386 1.088 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592212449 551961341 /nfs/dbraw/zinc/96/13/41/551961341.db2.gz HFFQGQGMXYWDIA-SNVBAGLBSA-N 0 3 369.809 1.832 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592254390 551968296 /nfs/dbraw/zinc/96/82/96/551968296.db2.gz YNFUHLAQRLKOHY-ZDUSSCGKSA-N 0 3 363.418 1.795 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592869993 552037119 /nfs/dbraw/zinc/03/71/19/552037119.db2.gz BFZXFOGJOKJHII-AWEZNQCLSA-N 0 3 362.430 1.712 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592878923 552038192 /nfs/dbraw/zinc/03/81/92/552038192.db2.gz IMSDBJVCEGTFDN-NSHDSACASA-N 0 3 360.370 1.533 20 5 FDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882326 552038657 /nfs/dbraw/zinc/03/86/57/552038657.db2.gz QPWHZIBABXZYJK-KGLIPLIRSA-N 0 3 357.414 1.956 20 5 FDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593065816 552057318 /nfs/dbraw/zinc/05/73/18/552057318.db2.gz FCRFUWVJIDEDHG-VXGBXAGGSA-N 0 3 353.375 1.014 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Cn2cnnc2)CC1 ZINC000593077362 552058887 /nfs/dbraw/zinc/05/88/87/552058887.db2.gz JXZNINXTCLAWFI-OAHLLOKOSA-N 0 3 361.402 1.338 20 5 FDBDHN COCCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101239 552062278 /nfs/dbraw/zinc/06/22/78/552062278.db2.gz NZRVSZQBFLETBL-OAHLLOKOSA-N 0 3 367.446 1.377 20 5 FDBDHN CN(C)CCN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000593232726 552075093 /nfs/dbraw/zinc/07/50/93/552075093.db2.gz CHHRXDUGZWUOIO-UHFFFAOYSA-N 0 3 362.430 1.105 20 5 FDBDHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593529956 552124137 /nfs/dbraw/zinc/12/41/37/552124137.db2.gz DNENKDNFADHBNY-UHFFFAOYSA-N 0 3 350.400 1.530 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593715902 552181056 /nfs/dbraw/zinc/18/10/56/552181056.db2.gz DXGBEFKMGJSQDI-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594327930 552289296 /nfs/dbraw/zinc/28/92/96/552289296.db2.gz XWQIVGGGZFOFSU-GJZGRUSLSA-N 0 3 360.414 1.975 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000594359196 552295281 /nfs/dbraw/zinc/29/52/81/552295281.db2.gz YCRRWWNUBSLBRZ-RYUDHWBXSA-N 0 3 358.192 1.104 20 5 FDBDHN COc1ccc(CSCC(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451621 552313059 /nfs/dbraw/zinc/31/30/59/552313059.db2.gz OVXIQRYBSJKOBU-NSHDSACASA-N 0 3 367.349 1.842 20 5 FDBDHN NC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C(F)(F)F ZINC000594451387 552313085 /nfs/dbraw/zinc/31/30/85/552313085.db2.gz URKGBRJHJMFVMA-LLVKDONJSA-N 0 3 362.308 1.051 20 5 FDBDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000594713197 552361477 /nfs/dbraw/zinc/36/14/77/552361477.db2.gz YVGOVUPYAOMKIR-WBMJQRKESA-N 0 3 351.403 1.953 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000594771513 552378983 /nfs/dbraw/zinc/37/89/83/552378983.db2.gz UUNHXAOFCSFPTP-TXEJJXNPSA-N 0 3 362.411 1.325 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000595109478 552453969 /nfs/dbraw/zinc/45/39/69/552453969.db2.gz HFABTODNDCCSOY-GXTWGEPZSA-N 0 3 366.374 1.244 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1OC ZINC000595261428 552507294 /nfs/dbraw/zinc/50/72/94/552507294.db2.gz ZWYYXPBNVDECAV-VXGBXAGGSA-N 0 3 371.365 1.140 20 5 FDBDHN CC(C)(NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000595275657 552510345 /nfs/dbraw/zinc/51/03/45/552510345.db2.gz QHYWPBCNWWDMHW-UHFFFAOYSA-N 0 3 360.374 1.284 20 5 FDBDHN COc1ccc(NC(=O)CN(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595909938 552632010 /nfs/dbraw/zinc/63/20/10/552632010.db2.gz VNSWBOFMDRQNBJ-LLVKDONJSA-N 0 3 350.297 1.363 20 5 FDBDHN CC(C)NCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595935138 552635426 /nfs/dbraw/zinc/63/54/26/552635426.db2.gz ZYNBSBPVQAJDNT-UHFFFAOYSA-N 0 3 360.418 1.508 20 5 FDBDHN O=C(c1cccc2c1CCNC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948840 552637249 /nfs/dbraw/zinc/63/72/49/552637249.db2.gz NLQMXNJCOXOHEQ-CQSZACIVSA-N 0 3 367.409 1.962 20 5 FDBDHN CCS(=O)(=O)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000596064103 552651558 /nfs/dbraw/zinc/65/15/58/552651558.db2.gz BGZWNBKZKUACQZ-UHFFFAOYSA-N 0 3 355.416 1.480 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(F)ccc2OC(F)F)c1 ZINC000596066784 552651921 /nfs/dbraw/zinc/65/19/21/552651921.db2.gz QXYWGSYBHYUNKO-GFCCVEGCSA-N 0 3 360.292 1.683 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091373 552654182 /nfs/dbraw/zinc/65/41/82/552654182.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 0 3 372.473 2.287 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(N(C)C)CC1 ZINC000596276144 552670359 /nfs/dbraw/zinc/67/03/59/552670359.db2.gz ZWBZIXNDIGABFX-UHFFFAOYSA-N 0 3 356.448 1.789 20 5 FDBDHN Cc1ccc(NCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000596370119 552675883 /nfs/dbraw/zinc/67/58/83/552675883.db2.gz QXSLLAXNXDLOGQ-HOTGVXAUSA-N 0 3 365.434 1.022 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596453376 552680508 /nfs/dbraw/zinc/68/05/08/552680508.db2.gz KRGDVUKIMHQJFR-INIZCTEOSA-N 0 3 358.398 1.430 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596489095 552683302 /nfs/dbraw/zinc/68/33/02/552683302.db2.gz UQQOMGDTLPAHIR-LBPRGKRZSA-N 0 3 356.448 1.775 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000597603535 552811047 /nfs/dbraw/zinc/81/10/47/552811047.db2.gz DIRNVOSFTOEHRB-CYBMUJFWSA-N 0 3 351.403 1.925 20 5 FDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000597716714 552826014 /nfs/dbraw/zinc/82/60/14/552826014.db2.gz SGBXCTMHGSBEOQ-GOSISDBHSA-N 0 3 370.413 1.733 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000597859045 552841581 /nfs/dbraw/zinc/84/15/81/552841581.db2.gz QPBHUYBRZKNYHR-LBPRGKRZSA-N 0 3 374.397 1.180 20 5 FDBDHN CCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000598341416 552887191 /nfs/dbraw/zinc/88/71/91/552887191.db2.gz BBXJVRLGDIVYLH-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN CC(C)[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC1 ZINC000598585778 552911575 /nfs/dbraw/zinc/91/15/75/552911575.db2.gz ACZNDNVKJLFUCU-AWEZNQCLSA-N 0 3 364.450 1.754 20 5 FDBDHN CC[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC1 ZINC000598590858 552912623 /nfs/dbraw/zinc/91/26/23/552912623.db2.gz RIPDEERRDSHOHE-ZDUSSCGKSA-N 0 3 350.423 1.508 20 5 FDBDHN O=[N+]([O-])c1c(NC2CCN(C3CCC3)CC2)ncnc1N1CCOCC1 ZINC000598636542 552919045 /nfs/dbraw/zinc/91/90/45/552919045.db2.gz ZGNBMACZBYZFJQ-UHFFFAOYSA-N 0 3 362.434 1.650 20 5 FDBDHN C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072123 552964783 /nfs/dbraw/zinc/96/47/83/552964783.db2.gz ZDKUIVAEOTUQOL-OCCSQVGLSA-N 0 3 353.386 1.962 20 5 FDBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000599108779 552968881 /nfs/dbraw/zinc/96/88/81/552968881.db2.gz NTYBLTPRBCNHOV-UHFFFAOYSA-N 0 3 359.352 1.692 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599936650 553177845 /nfs/dbraw/zinc/17/78/45/553177845.db2.gz AMJNCMWXJPZOHS-CVEARBPZSA-N 0 3 358.398 1.217 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)CCCN1CCCC1 ZINC000601413847 553398748 /nfs/dbraw/zinc/39/87/48/553398748.db2.gz KESSJNZFPZQBPR-UHFFFAOYSA-N 0 3 355.460 1.885 20 5 FDBDHN O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601588738 553441069 /nfs/dbraw/zinc/44/10/69/553441069.db2.gz PMQVAXMVHXKGAW-DLBZAZTESA-N 0 3 359.426 1.684 20 5 FDBDHN O=[N+]([O-])c1ccc(CCNC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000602700217 553624711 /nfs/dbraw/zinc/62/47/11/553624711.db2.gz MUWIZUUQEIRHTH-HNNXBMFYSA-N 0 3 362.407 1.962 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@]1(OCCO)CCOC1 ZINC000602708424 553625311 /nfs/dbraw/zinc/62/53/11/553625311.db2.gz FIXOXICINAPXBX-AWEZNQCLSA-N 0 3 364.320 1.871 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@]1(OCCO)CCOC1 ZINC000602708426 553625431 /nfs/dbraw/zinc/62/54/31/553625431.db2.gz FIXOXICINAPXBX-CQSZACIVSA-N 0 3 364.320 1.871 20 5 FDBDHN COC(=O)COc1ccc(CN(C)[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000602752402 553632165 /nfs/dbraw/zinc/63/21/65/553632165.db2.gz OUXWUMCXTNOVTH-INIZCTEOSA-N 0 3 363.414 1.673 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000609182377 554347102 /nfs/dbraw/zinc/34/71/02/554347102.db2.gz ULWLZZFRUPLORJ-UHFFFAOYSA-N 0 3 360.414 1.846 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000609686034 554411713 /nfs/dbraw/zinc/41/17/13/554411713.db2.gz FLFRBDQAESDZKQ-QGZVFWFLSA-N 0 3 361.446 1.516 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833285 554426372 /nfs/dbraw/zinc/42/63/72/554426372.db2.gz GCGZJFYSSOEFJW-UKRRQHHQSA-N 0 3 362.430 1.704 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610405517 554501165 /nfs/dbraw/zinc/50/11/65/554501165.db2.gz RJHTWKLUTBRVHA-AWEZNQCLSA-N 0 3 362.434 1.306 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000610427641 554504208 /nfs/dbraw/zinc/50/42/08/554504208.db2.gz AEKNVCLKPCWRGW-YPMHNXCESA-N 0 3 352.439 1.428 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000610426933 554504303 /nfs/dbraw/zinc/50/43/03/554504303.db2.gz RJDZPKYLXCTBEH-KBPBESRZSA-N 0 3 364.450 1.428 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000610654043 554544969 /nfs/dbraw/zinc/54/49/69/554544969.db2.gz DELBNFFWWRYJSM-VXGBXAGGSA-N 0 3 374.397 1.062 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@@]3(CCOC3)C1)OCCO2 ZINC000611293331 554623524 /nfs/dbraw/zinc/62/35/24/554623524.db2.gz AKMFPEROFWDZQQ-GUYCJALGSA-N 0 3 350.371 1.794 20 5 FDBDHN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000611345867 554627041 /nfs/dbraw/zinc/62/70/41/554627041.db2.gz DYWUHBSARNQUJN-GUYCJALGSA-N 0 3 359.430 1.804 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000618385954 555630467 /nfs/dbraw/zinc/63/04/67/555630467.db2.gz GRCZMONCZYHWEJ-GFCCVEGCSA-N 0 3 358.402 1.755 20 5 FDBDHN COC1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000618621278 555656020 /nfs/dbraw/zinc/65/60/20/555656020.db2.gz DTVJRSBSDOJRRD-UHFFFAOYSA-N 0 3 360.414 1.969 20 5 FDBDHN COc1c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000619436059 555776284 /nfs/dbraw/zinc/77/62/84/555776284.db2.gz BDZPEZMTCMKKMU-CYBMUJFWSA-N 0 3 362.430 1.502 20 5 FDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271830294 674386425 /nfs/dbraw/zinc/38/64/25/674386425.db2.gz PNBHAWSRPCEGTJ-GFCCVEGCSA-N 0 3 367.431 1.392 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291631512 568232559 /nfs/dbraw/zinc/23/25/59/568232559.db2.gz DITNUFOJHZTUET-OAHLLOKOSA-N 0 3 357.407 1.759 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646831 607472043 /nfs/dbraw/zinc/47/20/43/607472043.db2.gz BAIJHUOIUDTXHY-ABAIWWIYSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646831 607472044 /nfs/dbraw/zinc/47/20/44/607472044.db2.gz BAIJHUOIUDTXHY-ABAIWWIYSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646831 607472045 /nfs/dbraw/zinc/47/20/45/607472045.db2.gz BAIJHUOIUDTXHY-ABAIWWIYSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646831 607472046 /nfs/dbraw/zinc/47/20/46/607472046.db2.gz BAIJHUOIUDTXHY-ABAIWWIYSA-N 0 3 370.417 1.623 20 5 FDBDHN CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820116243 606110312 /nfs/dbraw/zinc/11/03/12/606110312.db2.gz FZEISTAXHZKUFX-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820116243 606110313 /nfs/dbraw/zinc/11/03/13/606110313.db2.gz FZEISTAXHZKUFX-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820116243 606110314 /nfs/dbraw/zinc/11/03/14/606110314.db2.gz FZEISTAXHZKUFX-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820116243 606110315 /nfs/dbraw/zinc/11/03/15/606110315.db2.gz FZEISTAXHZKUFX-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN CN(C)CCn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000108117008 671614483 /nfs/dbraw/zinc/61/44/83/671614483.db2.gz MHHYWXPMJRVPOB-UHFFFAOYSA-N 0 3 369.382 1.013 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000119203076 671671667 /nfs/dbraw/zinc/67/16/67/671671667.db2.gz QYGSJVRRWOBRGL-NSHDSACASA-N 0 3 353.404 1.514 20 5 FDBDHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261924603 672695081 /nfs/dbraw/zinc/69/50/81/672695081.db2.gz SCNBMBGQQJPQEN-ZDUSSCGKSA-N 0 3 363.823 1.295 20 5 FDBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262736026 672838093 /nfs/dbraw/zinc/83/80/93/672838093.db2.gz GQWQHMKUQUEEAX-UHFFFAOYSA-N 0 3 352.210 1.373 20 5 FDBDHN CCOC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000286044247 675864995 /nfs/dbraw/zinc/86/49/95/675864995.db2.gz IMEHYZTVTCESDO-GFCCVEGCSA-N 0 3 353.375 1.913 20 5 FDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292863403 676322460 /nfs/dbraw/zinc/32/24/60/676322460.db2.gz RSRQFTZKGWBFQL-KRWDZBQOSA-N 0 3 367.471 1.885 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(N2CCSCC2)CCCC1 ZINC000298451741 676464351 /nfs/dbraw/zinc/46/43/51/676464351.db2.gz HDGHBMGDFNSCLN-UHFFFAOYSA-N 0 3 365.459 1.862 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000363917274 676978540 /nfs/dbraw/zinc/97/85/40/676978540.db2.gz FJXOLLJRIBZGAF-ZDUSSCGKSA-N 0 3 364.475 1.909 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000364657819 677039878 /nfs/dbraw/zinc/03/98/78/677039878.db2.gz RPVYVHDTQGBQKU-ZDUSSCGKSA-N 0 3 364.475 1.768 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000366191196 677420478 /nfs/dbraw/zinc/42/04/78/677420478.db2.gz FGWMHLAHWYLFEF-GFCCVEGCSA-N 0 3 351.407 1.254 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C[C@@H]21 ZINC000370210295 677552846 /nfs/dbraw/zinc/55/28/46/677552846.db2.gz OYHCJBDFPGDUIS-SKDRFNHKSA-N 0 3 369.219 1.919 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@@H]1CCO ZINC000411316103 679015206 /nfs/dbraw/zinc/01/52/06/679015206.db2.gz KORTUVGLHZGZRM-ZDUSSCGKSA-N 0 3 369.443 1.732 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421297483 680646682 /nfs/dbraw/zinc/64/66/82/680646682.db2.gz LEQYHJSDLVJNBH-LBPRGKRZSA-N 0 3 350.375 1.095 20 5 FDBDHN COC(=O)COc1ccc(CNC2(CC(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000475104571 685559114 /nfs/dbraw/zinc/55/91/14/685559114.db2.gz VDTRTWDHLHJAPR-UHFFFAOYSA-N 0 3 351.359 1.034 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)C[C@H]1C ZINC000452137346 683036820 /nfs/dbraw/zinc/03/68/20/683036820.db2.gz ZZDXOLQIVYOOFY-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC000452137345 683036945 /nfs/dbraw/zinc/03/69/45/683036945.db2.gz ZZDXOLQIVYOOFY-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN C[C@H](C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452380270 683064753 /nfs/dbraw/zinc/06/47/53/683064753.db2.gz FPNVKKYLHKBGOE-QWHCGFSZSA-N 0 3 353.394 1.800 20 5 FDBDHN CNc1nc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000455510638 683462337 /nfs/dbraw/zinc/46/23/37/683462337.db2.gz HAMUFEKNUMGWSP-GFCCVEGCSA-N 0 3 351.407 1.214 20 5 FDBDHN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461954639 684604229 /nfs/dbraw/zinc/60/42/29/684604229.db2.gz DFVLBAGDTKBTRJ-AWEZNQCLSA-N 0 3 350.394 1.785 20 5 FDBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)CCN(C)C ZINC000480095930 686127332 /nfs/dbraw/zinc/12/73/32/686127332.db2.gz URUJFDWUBNKMMG-LLVKDONJSA-N 0 3 372.447 1.059 20 5 FDBDHN CN(c1ncc([N+](=O)[O-])cc1Br)C1CCN(CCO)CC1 ZINC000485216214 686696893 /nfs/dbraw/zinc/69/68/93/686696893.db2.gz XFLMGEXQGJIXFW-UHFFFAOYSA-N 0 3 359.224 1.645 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517461690 690069000 /nfs/dbraw/zinc/06/90/00/690069000.db2.gz LOGIOPVPEUBKHS-LLVKDONJSA-N 0 3 351.359 1.164 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000532985447 694898459 /nfs/dbraw/zinc/89/84/59/694898459.db2.gz SZVFDRALMUZTTM-CYBMUJFWSA-N 0 3 356.448 1.636 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000532985447 694898460 /nfs/dbraw/zinc/89/84/60/694898460.db2.gz SZVFDRALMUZTTM-CYBMUJFWSA-N 0 3 356.448 1.636 20 5 FDBDHN COc1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164761013 721093634 /nfs/dbraw/zinc/09/36/34/721093634.db2.gz AJGRRCRRBCWQJA-HUUCEWRRSA-N 0 3 372.429 1.690 20 5 FDBDHN COc1ccc(NC(=O)CN2CCNC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261658465 774316013 /nfs/dbraw/zinc/31/60/13/774316013.db2.gz GSQIMKPHEBUVTH-KRWDZBQOSA-N 0 3 371.397 1.583 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000531006904 781098836 /nfs/dbraw/zinc/09/88/36/781098836.db2.gz KRXGPDXYSRJOEJ-KBPBESRZSA-N 0 3 374.445 1.447 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375880190 785214584 /nfs/dbraw/zinc/21/45/84/785214584.db2.gz LJZIDZSNIASIBZ-SFHVURJKSA-N 0 3 360.458 1.764 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000467723422 805644289 /nfs/dbraw/zinc/64/42/89/805644289.db2.gz OQOMOIMODAZZFJ-BPNCWPANSA-N 0 3 364.450 1.426 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000376501260 788078150 /nfs/dbraw/zinc/07/81/50/788078150.db2.gz OURQBAOITOPVPJ-PBFPGSCMSA-N 0 3 374.397 1.067 20 5 FDBDHN C[C@@]1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN2CCC1CC2 ZINC000892788942 791247680 /nfs/dbraw/zinc/24/76/80/791247680.db2.gz LXXMMFBCGGZREF-GOSISDBHSA-N 0 3 355.398 1.995 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000365582043 792033229 /nfs/dbraw/zinc/03/32/29/792033229.db2.gz UJAYQVWFLTXTMG-HOTGVXAUSA-N 0 3 371.397 1.374 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000472799492 792218700 /nfs/dbraw/zinc/21/87/00/792218700.db2.gz LLYLNQDHEQPQAW-OAHLLOKOSA-N 0 3 363.462 1.463 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000365816347 794520771 /nfs/dbraw/zinc/52/07/71/794520771.db2.gz NCRSZOGHDADAMN-NHYWBVRUSA-N 0 3 358.402 1.707 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000365816349 794521135 /nfs/dbraw/zinc/52/11/35/794521135.db2.gz NCRSZOGHDADAMN-XHDPSFHLSA-N 0 3 358.402 1.707 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(CCn1cc(Cl)cn1)C2 ZINC000981765081 808450978 /nfs/dbraw/zinc/45/09/78/808450978.db2.gz PGADNTXLRJXOOB-ZIAGYGMSSA-N 0 3 367.837 1.126 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413433870 813795314 /nfs/dbraw/zinc/79/53/14/813795314.db2.gz FHHIZUAYRFJQHN-JCGIZDLHSA-N 0 3 360.458 1.841 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000422090025 814399054 /nfs/dbraw/zinc/39/90/54/814399054.db2.gz ASQBQALAYVMJJK-INIZCTEOSA-N 0 3 374.441 1.638 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425813962 817132036 /nfs/dbraw/zinc/13/20/36/817132036.db2.gz AXNNJHCUWHEAEI-SMDDNHRTSA-N 0 3 362.386 1.095 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894352923 817538687 /nfs/dbraw/zinc/53/86/87/817538687.db2.gz BASWUPZMYMWCLJ-LBPRGKRZSA-N 0 3 373.413 1.003 20 5 FDBDHN CC(C)(C)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000519716718 819017177 /nfs/dbraw/zinc/01/71/77/819017177.db2.gz WKSZJFBOXLEINZ-TZMCWYRMSA-N 0 3 360.414 1.276 20 5 FDBDHN CN(Cc1cn(C(C)(C)C)nn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426150 827787611 /nfs/dbraw/zinc/78/76/11/827787611.db2.gz LWMGIKCHLSABSZ-HUUCEWRRSA-N 0 3 364.450 1.121 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000531006907 830518891 /nfs/dbraw/zinc/51/88/91/830518891.db2.gz KRXGPDXYSRJOEJ-ZIAGYGMSSA-N 0 3 374.445 1.447 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCCN1CCO ZINC000452397429 830646251 /nfs/dbraw/zinc/64/62/51/830646251.db2.gz ZQRPRSXJWUXMKB-INIZCTEOSA-N 0 3 360.414 1.513 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)C[C@@H](C)O1 ZINC000476356937 841078944 /nfs/dbraw/zinc/07/89/44/841078944.db2.gz PSLBCFAFDIVHKS-CHWSQXEVSA-N 0 3 365.434 1.290 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000899137906 845856926 /nfs/dbraw/zinc/85/69/26/845856926.db2.gz DZGVVIGZVZIRJU-RDJZCZTQSA-N 0 3 355.398 1.616 20 5 FDBDHN O=C(NCCNCc1csc(-c2cccs2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939184 848689361 /nfs/dbraw/zinc/68/93/61/848689361.db2.gz QNPXXPMGZSUMCH-GHMZBOCLSA-N 0 3 352.441 1.743 20 5 FDBDHN CNC(=O)C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483425250 849565377 /nfs/dbraw/zinc/56/53/77/849565377.db2.gz HMISTVYDQASPFN-HOTGVXAUSA-N 0 3 373.409 1.802 20 5 FDBDHN CN1CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905334772 851868752 /nfs/dbraw/zinc/86/87/52/851868752.db2.gz AQQZMLMCBMYJSP-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000907144844 853861258 /nfs/dbraw/zinc/86/12/58/853861258.db2.gz BYXKFXQHIJGMEZ-NWDGAFQWSA-N 0 3 358.851 1.948 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000496290076 881347345 /nfs/dbraw/zinc/34/73/45/881347345.db2.gz IXAHNNORMZBDCH-UHFFFAOYSA-N 0 3 364.402 1.120 20 5 FDBDHN Cc1ccc(NCCCNC(=O)[C@H]2CN3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000489581529 860006901 /nfs/dbraw/zinc/00/69/01/860006901.db2.gz ZILGBJVGLLFOOL-QGZVFWFLSA-N 0 3 361.446 1.211 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000456316451 866829132 /nfs/dbraw/zinc/82/91/32/866829132.db2.gz AESLWXDPXGEPOB-OAHLLOKOSA-N 0 3 357.414 1.772 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914133996 871013076 /nfs/dbraw/zinc/01/30/76/871013076.db2.gz KFHNDUGUCSTHGT-INIZCTEOSA-N 0 3 351.428 1.773 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCOCC1 ZINC000914325779 872342288 /nfs/dbraw/zinc/34/22/88/872342288.db2.gz SHFTWGKTTURCJZ-QGZVFWFLSA-N 0 3 362.430 1.690 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000916966802 882736568 /nfs/dbraw/zinc/73/65/68/882736568.db2.gz OZDFWRURXSPPIH-IKGGRYGDSA-N 0 3 368.336 1.591 20 5 FDBDHN COc1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1[N+](=O)[O-] ZINC000915097966 875487058 /nfs/dbraw/zinc/48/70/58/875487058.db2.gz MDWMSPXULXUXRN-HNNXBMFYSA-N 0 3 356.400 1.798 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918360448 884367444 /nfs/dbraw/zinc/36/74/44/884367444.db2.gz SAYPQRFDCOEWSH-CALCHBBNSA-N 0 3 367.471 1.741 20 5 FDBDHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000919509481 885813811 /nfs/dbraw/zinc/81/38/11/885813811.db2.gz OIIYWLOHCXEXND-OAHLLOKOSA-N 0 3 363.462 1.983 20 5 FDBDHN Cc1ncsc1CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704244 886328381 /nfs/dbraw/zinc/32/83/81/886328381.db2.gz HNKLUQZRMUAGNX-CHWSQXEVSA-N 0 3 350.444 1.541 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000923274575 888699738 /nfs/dbraw/zinc/69/97/38/888699738.db2.gz MADFJAHKNBCBMT-AHIWAGSCSA-N 0 3 358.398 1.783 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](C[C@H]3COCCN3)c3ccccc32)c1 ZINC000923543638 889697202 /nfs/dbraw/zinc/69/72/02/889697202.db2.gz WMLRKFSULIQFJG-CABCVRRESA-N 0 3 357.414 1.774 20 5 FDBDHN Cn1cc(CN2C[C@H](C[C@H]3COCCN3)c3ccccc32)c([N+](=O)[O-])n1 ZINC000923541882 889733736 /nfs/dbraw/zinc/73/37/36/889733736.db2.gz WSPBRXGATIVUKG-ZFWWWQNUSA-N 0 3 357.414 1.811 20 5 FDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(CCc2ccncc2)CC1 ZINC000363385994 889796518 /nfs/dbraw/zinc/79/65/18/889796518.db2.gz IMJRBDSGXJAHFR-UHFFFAOYSA-N 0 3 357.418 1.505 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1=CCN(C)CC1 ZINC000272805504 890092159 /nfs/dbraw/zinc/09/21/59/890092159.db2.gz VKWNVAWWPNEKSR-AWEZNQCLSA-N 0 3 374.441 1.812 20 5 FDBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCCC1 ZINC000731457260 918115383 /nfs/dbraw/zinc/11/53/83/918115383.db2.gz MEDDTXWVAYFFEO-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510050 930708893 /nfs/dbraw/zinc/70/88/93/930708893.db2.gz RFSYLTKPQRQTNV-NSHDSACASA-N 0 3 365.415 1.440 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786776425 932029233 /nfs/dbraw/zinc/02/92/33/932029233.db2.gz DSUTUGMQEUXZNP-OLZOCXBDSA-N 0 3 355.416 1.273 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813104674 941326426 /nfs/dbraw/zinc/32/64/26/941326426.db2.gz FSSXBPXFMZXOLW-SMDDNHRTSA-N 0 3 365.342 1.716 20 5 FDBDHN CON(C)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813113685 941336499 /nfs/dbraw/zinc/33/64/99/941336499.db2.gz STUSJKGMXHHXCM-QMMMGPOBSA-N 0 3 366.779 1.344 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000817402402 942763045 /nfs/dbraw/zinc/76/30/45/942763045.db2.gz SYHZJAKQUSROIM-LLVKDONJSA-N 0 3 352.366 1.533 20 5 FDBDHN O=C1[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1cccnc1 ZINC000819224448 943496290 /nfs/dbraw/zinc/49/62/90/943496290.db2.gz FNQISPYZVLUOHV-IAGOWNOFSA-N 0 3 356.382 1.808 20 5 FDBDHN CC1(C)Oc2ccsc2[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1O ZINC000821305579 944405375 /nfs/dbraw/zinc/40/53/75/944405375.db2.gz ITGOIHSVCJQCNS-SCDSUCTJSA-N 0 3 368.415 1.077 20 5 FDBDHN C/C(=C/C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844036055 947636541 /nfs/dbraw/zinc/63/65/41/947636541.db2.gz PWKSFTZYNUKLNN-YBEMTRGBSA-N 0 3 360.414 1.577 20 5 FDBDHN C[C@H]1CN(CCO)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001171099357 947678796 /nfs/dbraw/zinc/67/87/96/947678796.db2.gz SLGJSWQAWBDLGD-LBPRGKRZSA-N 0 3 354.382 1.061 20 5 FDBDHN Cc1cc(Cl)c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844150245 947806607 /nfs/dbraw/zinc/80/66/07/947806607.db2.gz YROKURNTRXFPEK-NSHDSACASA-N 0 3 368.821 1.749 20 5 FDBDHN CC([C@@H](OC(=O)COCc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876369 950048731 /nfs/dbraw/zinc/04/87/31/950048731.db2.gz CPSKDEFEVPLABS-ZUZCIYMTSA-N 0 3 352.322 1.421 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NCc2ccno2)CC1 ZINC001173689896 962581647 /nfs/dbraw/zinc/58/16/47/962581647.db2.gz JOSAIBVMUWDDEB-UHFFFAOYSA-N 0 3 366.399 1.526 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000854645072 969051242 /nfs/dbraw/zinc/05/12/42/969051242.db2.gz YBLKIMOBRHZHDN-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCc3nccc(N)c3C2)c1C ZINC001193896323 969912212 /nfs/dbraw/zinc/91/22/12/969912212.db2.gz FBXJQIOVHWUHBV-UHFFFAOYSA-N 0 3 362.411 1.936 20 5 FDBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000867439129 975275844 /nfs/dbraw/zinc/27/58/44/975275844.db2.gz OLAMLFSOPVVKDR-UHFFFAOYSA-N 0 3 351.787 1.760 20 5 FDBDHN Cc1ccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868357707 977527555 /nfs/dbraw/zinc/52/75/55/977527555.db2.gz FBEVVKOATYPZKB-CQSZACIVSA-N 0 3 363.462 1.586 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC1)COCCO2 ZINC000880546470 979290141 /nfs/dbraw/zinc/29/01/41/979290141.db2.gz VAZSBHAAQWSDEU-CQSZACIVSA-N 0 3 352.387 1.216 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000880586626 979332876 /nfs/dbraw/zinc/33/28/76/979332876.db2.gz UXFLTTUWDXGTCT-AWEZNQCLSA-N 0 3 366.414 1.846 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000885859718 985706508 /nfs/dbraw/zinc/70/65/08/985706508.db2.gz ABPDXPPXRFUJJZ-OAHLLOKOSA-N 0 3 362.430 1.766 20 5 FDBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(Br)c1 ZINC000870377600 985952015 /nfs/dbraw/zinc/95/20/15/985952015.db2.gz RGYAMQJDEPNVIW-PELKAZGASA-N 0 3 359.176 1.835 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871153211 986722533 /nfs/dbraw/zinc/72/25/33/986722533.db2.gz BLHVGJQUZCTBDW-CYBMUJFWSA-N 0 3 366.466 1.770 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365931107 988235043 /nfs/dbraw/zinc/23/50/43/988235043.db2.gz CHOTXBHCVBSXDH-WFASDCNBSA-N 0 3 362.434 1.621 20 5 FDBDHN COCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000299340549 988342859 /nfs/dbraw/zinc/34/28/59/988342859.db2.gz DXMDMEDUARXZDP-UHFFFAOYSA-N 0 3 367.402 1.209 20 5 FDBDHN O=c1[nH]c(NC2CCN([C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000367262964 988943708 /nfs/dbraw/zinc/94/37/08/988943708.db2.gz AATYJOMUMXKSDB-ZDUSSCGKSA-N 0 3 359.386 1.909 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000363666887 989381558 /nfs/dbraw/zinc/38/15/58/989381558.db2.gz YRTMHWBSJUAQLU-UHFFFAOYSA-N 0 3 364.446 1.845 20 5 FDBDHN C[C@H](NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1=CCN(C)CC1 ZINC000364370061 989551450 /nfs/dbraw/zinc/55/14/50/989551450.db2.gz QDXVZLRGMXGWLW-DZGCQCFKSA-N 0 3 362.434 1.788 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000373104262 991922509 /nfs/dbraw/zinc/92/25/09/991922509.db2.gz NCNFUWBJVHIETP-QWHCGFSZSA-N 0 3 374.401 1.134 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000876470118 992625663 /nfs/dbraw/zinc/62/56/63/992625663.db2.gz OGTRPUMGAOEJPI-AHKGRUIUSA-N 0 3 363.414 1.414 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000876475902 992649019 /nfs/dbraw/zinc/64/90/19/992649019.db2.gz PMOULYIFYCIBQH-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN CN1CCN(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CC1 ZINC000877746762 993495426 /nfs/dbraw/zinc/49/54/26/993495426.db2.gz WNCDBMWFZHPDQO-UHFFFAOYSA-N 0 3 359.430 1.948 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000926152013 995941879 /nfs/dbraw/zinc/94/18/79/995941879.db2.gz ZDHNIMYVMAAGJN-IAGOWNOFSA-N 0 3 367.471 1.975 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889781379 998654719 /nfs/dbraw/zinc/65/47/19/998654719.db2.gz MZFSOZRBMUGEDE-IRXDYDNUSA-N 0 3 362.430 1.454 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(NC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000266851675 999247805 /nfs/dbraw/zinc/24/78/05/999247805.db2.gz DHJQQNXSXVNMJD-UHFFFAOYSA-N 0 3 365.390 1.065 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1=O ZINC000270298865 999536725 /nfs/dbraw/zinc/53/67/25/999536725.db2.gz YCWQMDRBQIBWFA-UHFFFAOYSA-N 0 3 366.324 1.849 20 5 FDBDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000271667853 999723466 /nfs/dbraw/zinc/72/34/66/999723466.db2.gz HIZICPVYCQNAAS-GJZGRUSLSA-N 0 3 363.462 1.839 20 5 FDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000284276724 999795451 /nfs/dbraw/zinc/79/54/51/999795451.db2.gz JPJKVQOLQLPHIV-OAHLLOKOSA-N 0 3 361.402 1.527 20 5 FDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000286015840 999931366 /nfs/dbraw/zinc/93/13/66/999931366.db2.gz JODJHRKVTGFQKX-AWEZNQCLSA-N 0 3 361.402 1.678 20 5 FDBDHN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000289258392 1000085402 /nfs/dbraw/zinc/08/54/02/1000085402.db2.gz QKZGXDSULCAXTB-BBRMVZONSA-N 0 3 360.418 1.782 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 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CC[C@@H]1CCCCN1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000522196699 539549728 /nfs/dbraw/zinc/54/97/28/539549728.db2.gz JLVCHNLSCYVXJL-GFCCVEGCSA-N 0 3 356.448 1.919 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000524420318 539646481 /nfs/dbraw/zinc/64/64/81/539646481.db2.gz PMSMCOXAEUVOHF-UHFFFAOYSA-N 0 3 352.410 1.881 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000268419628 180077525 /nfs/dbraw/zinc/07/75/25/180077525.db2.gz WRSUNZSXRFRUOV-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268596930 180122762 /nfs/dbraw/zinc/12/27/62/180122762.db2.gz TZIICPDPYSHDKG-MRXNPFEDSA-N 0 3 357.414 1.914 20 5 FDBDHN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000268800944 180162760 /nfs/dbraw/zinc/16/27/60/180162760.db2.gz DJPBBTRRLDUFSQ-INIZCTEOSA-N 0 3 360.414 1.540 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000268831381 180166205 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/nfs/dbraw/zinc/26/61/82/184266182.db2.gz MULIKVCBOSBTQL-UHFFFAOYSA-N 0 3 362.390 1.683 20 5 FDBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)c1 ZINC000298338775 184429856 /nfs/dbraw/zinc/42/98/56/184429856.db2.gz ZMVFDQQWYGHTCI-HNNXBMFYSA-N 0 3 359.386 1.812 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000173023543 258290047 /nfs/dbraw/zinc/29/00/47/258290047.db2.gz PVCVNUWPIWCBHM-LLVKDONJSA-N 0 3 355.416 1.366 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000552082784 543416173 /nfs/dbraw/zinc/41/61/73/543416173.db2.gz CGRGSHBJCAINGI-SNVBAGLBSA-N 0 3 354.432 1.113 20 5 FDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000552818520 543522615 /nfs/dbraw/zinc/52/26/15/543522615.db2.gz RQRFOMXYZKHZID-MRXNPFEDSA-N 0 3 361.402 1.609 20 5 FDBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000067205671 172008267 /nfs/dbraw/zinc/00/82/67/172008267.db2.gz UJEVEKBCIYIRMK-HNNXBMFYSA-N 0 3 356.382 1.276 20 5 FDBDHN CCOC(=O)c1ccnc(NCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000077927231 172141124 /nfs/dbraw/zinc/14/11/24/172141124.db2.gz MQSIXHWAKZMATD-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000080108787 172169619 /nfs/dbraw/zinc/16/96/19/172169619.db2.gz ZKIFIRKKLPSWOZ-UHFFFAOYSA-N 0 3 357.414 1.834 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CN1CCN(C)CC1 ZINC000081765092 172195250 /nfs/dbraw/zinc/19/52/50/172195250.db2.gz OHAZBUWGGLLJSH-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130224029 173164195 /nfs/dbraw/zinc/16/41/95/173164195.db2.gz XGKSRYZSYONNOE-INIZCTEOSA-N 0 3 361.358 1.725 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131228643 173193826 /nfs/dbraw/zinc/19/38/26/173193826.db2.gz SSSKHIQJLJUXCW-QWRGUYRKSA-N 0 3 354.794 1.820 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131228428 173194065 /nfs/dbraw/zinc/19/40/65/173194065.db2.gz SSSKHIQJLJUXCW-WDEREUQCSA-N 0 3 354.794 1.820 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000133850469 173313905 /nfs/dbraw/zinc/31/39/05/173313905.db2.gz WCTGVZMFKCAWAJ-UHFFFAOYSA-N 0 3 366.374 1.388 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171340199 173876391 /nfs/dbraw/zinc/87/63/91/173876391.db2.gz HPAJFHQWDWPEEJ-UHFFFAOYSA-N 0 3 352.416 1.037 20 5 FDBDHN COc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000177050581 174103459 /nfs/dbraw/zinc/10/34/59/174103459.db2.gz YYAAEKGOKGBWIM-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN NC(=O)c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000181144052 174208722 /nfs/dbraw/zinc/20/87/22/174208722.db2.gz FGLUDFFBROYGPE-INIZCTEOSA-N 0 3 370.409 1.872 20 5 FDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCCN(C2CCCC2)CC1 ZINC000181648302 174238807 /nfs/dbraw/zinc/23/88/07/174238807.db2.gz VOCVMVIBXYUOHR-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000173642259 258306032 /nfs/dbraw/zinc/30/60/32/258306032.db2.gz CSRNPKBVEPROTM-LSDHHAIUSA-N 0 3 360.370 1.718 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173773134 258310342 /nfs/dbraw/zinc/31/03/42/258310342.db2.gz HLOULCGFEBXWNV-YJBOKZPZSA-N 0 3 359.430 1.359 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174021962 258317539 /nfs/dbraw/zinc/31/75/39/258317539.db2.gz MFJWKQVHAMHZAX-SJORKVTESA-N 0 3 365.430 1.131 20 5 FDBDHN CC(=O)NCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCSCC1 ZINC000555074901 543909677 /nfs/dbraw/zinc/90/96/77/543909677.db2.gz HUNWMXJRXZLLNX-UHFFFAOYSA-N 0 3 368.459 1.090 20 5 FDBDHN O=C(CCN1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000555593367 543982585 /nfs/dbraw/zinc/98/25/85/543982585.db2.gz JRUBYEBXXMVNGD-MRXNPFEDSA-N 0 3 374.401 1.344 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000558057739 544378293 /nfs/dbraw/zinc/37/82/93/544378293.db2.gz UJZKWPSPCMSMHE-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000558732134 544519429 /nfs/dbraw/zinc/51/94/29/544519429.db2.gz QDYLXEKHAJXRAR-GOEBONIOSA-N 0 3 373.413 1.383 20 5 FDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(CCc2ccccn2)CC1 ZINC000299703244 259017931 /nfs/dbraw/zinc/01/79/31/259017931.db2.gz RGOVVKDJNMAUDZ-UHFFFAOYSA-N 0 3 372.429 1.352 20 5 FDBDHN CN1CCCN(c2nc(N3CCCN(C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301274652 259024845 /nfs/dbraw/zinc/02/48/45/259024845.db2.gz IITCNXULLKXFFA-UHFFFAOYSA-N 0 3 354.480 1.335 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000302103477 259038999 /nfs/dbraw/zinc/03/89/99/259038999.db2.gz QTAOXEDBCVFORC-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000332137331 259244616 /nfs/dbraw/zinc/24/46/16/259244616.db2.gz KXMPNCGFHHLDCT-YUTCNCBUSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1ccccc1CN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000365775442 259876323 /nfs/dbraw/zinc/87/63/23/259876323.db2.gz KBGCGYMCIGTYNA-HNNXBMFYSA-N 0 3 353.444 1.336 20 5 FDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000368384641 260175012 /nfs/dbraw/zinc/17/50/12/260175012.db2.gz JNTIDYDODSORDS-DCAQKATOSA-N 0 3 370.406 1.077 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C(=N)NO ZINC000368523191 260196107 /nfs/dbraw/zinc/19/61/07/260196107.db2.gz DERVRWPNLFDSEJ-GFCCVEGCSA-N 0 3 351.363 1.352 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000368753574 260232341 /nfs/dbraw/zinc/23/23/41/260232341.db2.gz JJFKKDZGZUOLIB-SFHVURJKSA-N 0 3 373.413 1.037 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368973753 260269886 /nfs/dbraw/zinc/26/98/86/260269886.db2.gz LIRDZVPEUHFTBT-RVSPLBMKSA-N 0 3 360.414 1.818 20 5 FDBDHN Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000369346416 260345528 /nfs/dbraw/zinc/34/55/28/260345528.db2.gz XTWRYCCSRGWHEP-AWEZNQCLSA-N 0 3 361.446 1.337 20 5 FDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCCC1 ZINC000370719693 260593824 /nfs/dbraw/zinc/59/38/24/260593824.db2.gz LYNSTTVWEMCGKP-HNNXBMFYSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374313745 261109204 /nfs/dbraw/zinc/10/92/04/261109204.db2.gz VAFHCODXYODTJF-CHWSQXEVSA-N 0 3 364.475 1.766 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374829757 261205331 /nfs/dbraw/zinc/20/53/31/261205331.db2.gz PEPGTVZGKYHCPH-UHFFFAOYSA-N 0 3 354.382 1.235 20 5 FDBDHN CN1CC[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375038276 261254712 /nfs/dbraw/zinc/25/47/12/261254712.db2.gz LAEZLGAPOPSMJM-ZBFHGGJFSA-N 0 3 353.444 1.493 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000375328773 261313413 /nfs/dbraw/zinc/31/34/13/261313413.db2.gz PPQAPTXYBYJNHQ-ZDUSSCGKSA-N 0 3 360.374 1.471 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375339457 261317560 /nfs/dbraw/zinc/31/75/60/261317560.db2.gz ZROWUUJEKICQLM-MLGOLLRUSA-N 0 3 366.805 1.834 20 5 FDBDHN COc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000409724185 262137076 /nfs/dbraw/zinc/13/70/76/262137076.db2.gz WPLWYBNVXKXQJC-AWEZNQCLSA-N 0 3 351.403 1.426 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000520974204 490210578 /nfs/dbraw/zinc/21/05/78/490210578.db2.gz UWVBQXSOWKVSPE-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000604526935 492062572 /nfs/dbraw/zinc/06/25/72/492062572.db2.gz WJZHJOQZLZVFSR-GFCCVEGCSA-N 0 3 374.401 1.110 20 5 FDBDHN O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000030285115 519356038 /nfs/dbraw/zinc/35/60/38/519356038.db2.gz VMCXDGZXPSANLW-UHFFFAOYSA-N 0 3 360.414 1.914 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000041597783 519660384 /nfs/dbraw/zinc/66/03/84/519660384.db2.gz HZXDEAHXZLIPCU-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000041951018 519673597 /nfs/dbraw/zinc/67/35/97/519673597.db2.gz YVWREPKKZAUNSN-UHFFFAOYSA-N 0 3 353.375 1.080 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000042594450 519697510 /nfs/dbraw/zinc/69/75/10/519697510.db2.gz YUDAKVINXAYGRU-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN COCCN(C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069128866 521813076 /nfs/dbraw/zinc/81/30/76/521813076.db2.gz QKZZBRLNAXDABZ-UHFFFAOYSA-N 0 3 355.391 1.067 20 5 FDBDHN COc1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000069575799 521917446 /nfs/dbraw/zinc/91/74/46/521917446.db2.gz IGHPUVCODJOYHV-OAHLLOKOSA-N 0 3 365.430 1.715 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000058561561 522277598 /nfs/dbraw/zinc/27/75/98/522277598.db2.gz VEBMCWFJQFHZKF-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000072782124 522379380 /nfs/dbraw/zinc/37/93/80/522379380.db2.gz LOMGDFUOSYTRGO-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC(C)CC1 ZINC000046956480 522401849 /nfs/dbraw/zinc/40/18/49/522401849.db2.gz DFKJDLDOJLIGRB-CQSZACIVSA-N 0 3 362.430 1.561 20 5 FDBDHN CC1CCN(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073018226 522450080 /nfs/dbraw/zinc/45/00/80/522450080.db2.gz APOHLJRBBQCZMO-UHFFFAOYSA-N 0 3 363.414 1.757 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062229755 522518096 /nfs/dbraw/zinc/51/80/96/522518096.db2.gz AUAFWCIYNYFLCF-HNNXBMFYSA-N 0 3 358.402 1.215 20 5 FDBDHN CCN1CCC(N(C)c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000073856113 522621022 /nfs/dbraw/zinc/62/10/22/522621022.db2.gz JOGGOKZHZMHLSH-UHFFFAOYSA-N 0 3 356.448 1.423 20 5 FDBDHN CCN1CCN(CCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063744629 522637246 /nfs/dbraw/zinc/63/72/46/522637246.db2.gz WCMFQTSZOMRSCU-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN O=C([C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000051531048 523035142 /nfs/dbraw/zinc/03/51/42/523035142.db2.gz CNHZSPCKJDLEOP-OAHLLOKOSA-N 0 3 363.414 1.544 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000076831801 523193597 /nfs/dbraw/zinc/19/35/97/523193597.db2.gz SIGRGMQGTIAJFI-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN C[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000079974435 523815965 /nfs/dbraw/zinc/81/59/65/523815965.db2.gz RMEPNDBOIORSAL-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN CCN1CC[C@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000122118964 524456380 /nfs/dbraw/zinc/45/63/80/524456380.db2.gz ZHPSLUDNTCXIPG-DYVFJYSZSA-N 0 3 372.429 1.978 20 5 FDBDHN CCCCN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000112310986 524457745 /nfs/dbraw/zinc/45/77/45/524457745.db2.gz NPTWJOGAWYHIRT-ZDUSSCGKSA-N 0 3 366.418 1.641 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917304 524593147 /nfs/dbraw/zinc/59/31/47/524593147.db2.gz QHPRSVRZXNAOBO-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000113095108 524623818 /nfs/dbraw/zinc/62/38/18/524623818.db2.gz OADQQIMAKFZORD-UHFFFAOYSA-N 0 3 357.414 1.914 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151635285 524637311 /nfs/dbraw/zinc/63/73/11/524637311.db2.gz ITRLQGZMRDFILX-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000174646396 524672845 /nfs/dbraw/zinc/67/28/45/524672845.db2.gz OIECTNUBILJMER-XPKDYRNWSA-N 0 3 360.414 1.408 20 5 FDBDHN COC(=O)[C@H](C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152076591 524773992 /nfs/dbraw/zinc/77/39/92/524773992.db2.gz HHSQULLUDGOKRQ-UHOFOFEASA-N 0 3 362.386 1.292 20 5 FDBDHN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114379839 524780352 /nfs/dbraw/zinc/78/03/52/524780352.db2.gz WHYKQCNIPRXSBJ-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000114512581 524825493 /nfs/dbraw/zinc/82/54/93/524825493.db2.gz XPMMWMGLGPOPTJ-UHFFFAOYSA-N 0 3 365.434 1.106 20 5 FDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160509124 524903609 /nfs/dbraw/zinc/90/36/09/524903609.db2.gz VYSUFRDXJZRWCL-MRXNPFEDSA-N 0 3 373.413 1.357 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000152508834 524908116 /nfs/dbraw/zinc/90/81/16/524908116.db2.gz SBUBAYUWXNNQBT-KRWDZBQOSA-N 0 3 350.419 1.237 20 5 FDBDHN CN(CCN1CCOCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092974649 524938627 /nfs/dbraw/zinc/93/86/27/524938627.db2.gz CVHOAXDFDRPTHD-UHFFFAOYSA-N 0 3 359.430 1.759 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152710864 524977965 /nfs/dbraw/zinc/97/79/65/524977965.db2.gz HCEUMRYVZPXILY-CYBMUJFWSA-N 0 3 360.208 1.400 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161576380 525130648 /nfs/dbraw/zinc/13/06/48/525130648.db2.gz VNRMDVDHDXQZQK-OAHLLOKOSA-N 0 3 355.460 1.789 20 5 FDBDHN CN(C)C(=O)C(C)(C)NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341293 525322641 /nfs/dbraw/zinc/32/26/41/525322641.db2.gz LJLXCHWEPQRFGM-UHFFFAOYSA-N 0 3 350.375 1.349 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000128455994 525544112 /nfs/dbraw/zinc/54/41/12/525544112.db2.gz SDADDDJSBKDCAP-UHFFFAOYSA-N 0 3 369.381 1.586 20 5 FDBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)NCC1CCCCC1 ZINC000155252138 525796149 /nfs/dbraw/zinc/79/61/49/525796149.db2.gz XPPQYAZSATXSMU-UHFFFAOYSA-N 0 3 364.446 1.821 20 5 FDBDHN CS(=O)(=O)NCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000171049416 525816998 /nfs/dbraw/zinc/81/69/98/525816998.db2.gz DIPCLTUVDDVLJL-UHFFFAOYSA-N 0 3 353.400 1.884 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000120059269 525949074 /nfs/dbraw/zinc/94/90/74/525949074.db2.gz QDRBZNXMKWIYFJ-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN CN(C)C[C@](C)(O)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000133006206 526013576 /nfs/dbraw/zinc/01/35/76/526013576.db2.gz BVRZFNVQJWKSSU-QGZVFWFLSA-N 0 3 361.402 1.284 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000184483443 536156498 /nfs/dbraw/zinc/15/64/98/536156498.db2.gz XFVXLZGFEVWQKV-BETUJISGSA-N 0 3 350.419 1.796 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000184813600 536185282 /nfs/dbraw/zinc/18/52/82/536185282.db2.gz ZLVWHRRVDOWKJR-PWSUYJOCSA-N 0 3 354.794 1.820 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184821487 536185669 /nfs/dbraw/zinc/18/56/69/536185669.db2.gz ICDZOQUKZXHGIO-CMPLNLGQSA-N 0 3 354.794 1.820 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185370856 536206783 /nfs/dbraw/zinc/20/67/83/536206783.db2.gz JRYHTAHDQYCTGU-UHFFFAOYSA-N 0 3 352.416 1.763 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000246657287 536998676 /nfs/dbraw/zinc/99/86/76/536998676.db2.gz DUYCCPMLSULHAA-CABCVRRESA-N 0 3 366.443 1.895 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189565008 537066645 /nfs/dbraw/zinc/06/66/45/537066645.db2.gz AGOOIYCNMDRODP-LSDHHAIUSA-N 0 3 364.446 1.619 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247073599 537078440 /nfs/dbraw/zinc/07/84/40/537078440.db2.gz OKFWUMGWAJMUTC-GOEBONIOSA-N 0 3 353.444 1.841 20 5 FDBDHN COCCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000263803830 537104432 /nfs/dbraw/zinc/10/44/32/537104432.db2.gz UEQOAUWWBYTXSP-UHFFFAOYSA-N 0 3 369.393 1.730 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264050621 537136812 /nfs/dbraw/zinc/13/68/12/537136812.db2.gz SVPOPQWFLGFASX-UHFFFAOYSA-N 0 3 357.432 1.633 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249293157 537232198 /nfs/dbraw/zinc/23/21/98/537232198.db2.gz ATFXCIOFHMQCLT-GDBMZVCRSA-N 0 3 367.446 1.112 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249513070 537236818 /nfs/dbraw/zinc/23/68/18/537236818.db2.gz OXIKVGIWOSTTJZ-CABCVRRESA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262776047 537254479 /nfs/dbraw/zinc/25/44/79/537254479.db2.gz NINKOZMAEGMRRD-KCJUWKMLSA-N 0 3 367.349 1.890 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1N(C)C ZINC000272360356 537269335 /nfs/dbraw/zinc/26/93/35/537269335.db2.gz SELKZMZSMYQGGN-DGCLKSJQSA-N 0 3 353.400 1.441 20 5 FDBDHN CN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000282221971 537270296 /nfs/dbraw/zinc/27/02/96/537270296.db2.gz CODGPWXSBURRIZ-UHFFFAOYSA-N 0 3 353.398 1.881 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278402732 537315974 /nfs/dbraw/zinc/31/59/74/537315974.db2.gz OWWPIESZRWADKB-CYBMUJFWSA-N 0 3 364.402 1.150 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000194724149 537321170 /nfs/dbraw/zinc/32/11/70/537321170.db2.gz QREFSYYQEBECAC-CYBMUJFWSA-N 0 3 362.386 1.493 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271377919 537433586 /nfs/dbraw/zinc/43/35/86/537433586.db2.gz JEIMUJMTSYTMSF-UHFFFAOYSA-N 0 3 361.402 1.241 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000299248118 537508569 /nfs/dbraw/zinc/50/85/69/537508569.db2.gz KNXXPCOJGPUULP-MRXNPFEDSA-N 0 3 366.443 1.395 20 5 FDBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284763708 537516246 /nfs/dbraw/zinc/51/62/46/537516246.db2.gz MKWCSLYPABUISP-SJLPKXTDSA-N 0 3 359.430 1.011 20 5 FDBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289513143 537573252 /nfs/dbraw/zinc/57/32/52/537573252.db2.gz LXGKPLRGZMKGNR-GFCCVEGCSA-N 0 3 351.359 1.403 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293913966 537623624 /nfs/dbraw/zinc/62/36/24/537623624.db2.gz IARWXKWWACCTPQ-AUUYWEPGSA-N 0 3 374.441 1.657 20 5 FDBDHN CON(C)C(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000291662478 537655298 /nfs/dbraw/zinc/65/52/98/537655298.db2.gz FVWKOYKLRYAGFH-CQSZACIVSA-N 0 3 367.402 1.066 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000285217311 537662952 /nfs/dbraw/zinc/66/29/52/537662952.db2.gz AGSPNLGUAQLOFG-FUNVUKJBSA-N 0 3 369.443 1.849 20 5 FDBDHN COCCN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294454680 537698119 /nfs/dbraw/zinc/69/81/19/537698119.db2.gz HUADSZXYCLHGRX-UHFFFAOYSA-N 0 3 373.413 1.779 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292122668 537710464 /nfs/dbraw/zinc/71/04/64/537710464.db2.gz WWGOZFBZFHUKPL-AWEZNQCLSA-N 0 3 359.835 1.965 20 5 FDBDHN C[C@H](c1ccccc1)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292298285 537726077 /nfs/dbraw/zinc/72/60/77/537726077.db2.gz UQYZQPLNBZLSKR-SIIHOXLZSA-N 0 3 373.409 1.582 20 5 FDBDHN CCN1CC[C@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000292685964 537754696 /nfs/dbraw/zinc/75/46/96/537754696.db2.gz FAJHPNAIRIBLHE-DLBZAZTESA-N 0 3 360.414 1.779 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411540796 537763955 /nfs/dbraw/zinc/76/39/55/537763955.db2.gz XIVOCUVOUWSQKN-CJNGLKHVSA-N 0 3 360.414 1.927 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000411716871 537838376 /nfs/dbraw/zinc/83/83/76/537838376.db2.gz HKOJEKIAWMPQFH-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372246642 537905974 /nfs/dbraw/zinc/90/59/74/537905974.db2.gz GEFRWXRHIPMQRW-XNRPHZJLSA-N 0 3 362.434 1.621 20 5 FDBDHN Cc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000372497044 537964333 /nfs/dbraw/zinc/96/43/33/537964333.db2.gz RSJTTWRQLGEEIL-UHFFFAOYSA-N 0 3 350.419 1.404 20 5 FDBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415440304 538047530 /nfs/dbraw/zinc/04/75/30/538047530.db2.gz NYZGIXKPQGXRSK-UHFFFAOYSA-N 0 3 350.297 1.971 20 5 FDBDHN CN1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000369661279 538047965 /nfs/dbraw/zinc/04/79/65/538047965.db2.gz AHPIHGWBNMZPAJ-HOCLYGCPSA-N 0 3 373.417 1.179 20 5 FDBDHN COc1cccc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444400166 538159039 /nfs/dbraw/zinc/15/90/39/538159039.db2.gz MWJYPKIBGTYMJN-ZDUSSCGKSA-N 0 3 351.403 1.834 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424228464 538261583 /nfs/dbraw/zinc/26/15/83/538261583.db2.gz SVXGJZCJIKXYIY-UONOGXRCSA-N 0 3 359.386 1.051 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CCN(C)C)cc1SC ZINC000429885310 538370571 /nfs/dbraw/zinc/37/05/71/538370571.db2.gz CYLPKQSZAMDRMW-INIZCTEOSA-N 0 3 371.459 1.758 20 5 FDBDHN C[C@H](Cc1ccoc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449097196 538418654 /nfs/dbraw/zinc/41/86/54/538418654.db2.gz CBNBAFYWSZUTPQ-GFCCVEGCSA-N 0 3 353.400 1.687 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC1(C)C ZINC000457069295 538471872 /nfs/dbraw/zinc/47/18/72/538471872.db2.gz FGMFMCCMWOMFCD-CYBMUJFWSA-N 0 3 362.430 1.704 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000454115581 538515939 /nfs/dbraw/zinc/51/59/39/538515939.db2.gz XFMGGFMSMNYBOX-CYBMUJFWSA-N 0 3 364.402 1.483 20 5 FDBDHN Cc1nn(CCC(=O)N(CCN(C)C)Cc2ccccn2)c(C)c1[N+](=O)[O-] ZINC000500760501 538536538 /nfs/dbraw/zinc/53/65/38/538536538.db2.gz ZUBYHUHLYZRAOM-UHFFFAOYSA-N 0 3 374.445 1.784 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000467105497 538612397 /nfs/dbraw/zinc/61/23/97/538612397.db2.gz WEEDRJGTYGRCHV-UHFFFAOYSA-N 0 3 366.393 1.406 20 5 FDBDHN CSCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000497724712 538782847 /nfs/dbraw/zinc/78/28/47/538782847.db2.gz CYRIUAGPPMVKBG-JTQLQIEISA-N 0 3 372.472 1.021 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000474342621 538834808 /nfs/dbraw/zinc/83/48/08/538834808.db2.gz QIOHBFFSQVMJFP-LLVKDONJSA-N 0 3 362.386 1.899 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000474343237 538835163 /nfs/dbraw/zinc/83/51/63/538835163.db2.gz BRMPYZOGWBTLIM-TZMCWYRMSA-N 0 3 363.414 1.861 20 5 FDBDHN CCOc1ccc([C@H](C)NCCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905574 538850968 /nfs/dbraw/zinc/85/09/68/538850968.db2.gz KMZNJJSVOPSRSZ-DZGCQCFKSA-N 0 3 364.446 1.984 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)nn1 ZINC000563117339 546414338 /nfs/dbraw/zinc/41/43/38/546414338.db2.gz ZACAFPOBXJKFLF-AWEZNQCLSA-N 0 3 370.369 1.869 20 5 FDBDHN CC(C)Oc1nc(NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000565221031 547261365 /nfs/dbraw/zinc/26/13/65/547261365.db2.gz IBRKEPKWGYKWQT-UHFFFAOYSA-N 0 3 351.451 2.217 20 5 FDBDHN NC[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 ZINC000566206518 547658856 /nfs/dbraw/zinc/65/88/56/547658856.db2.gz FRRGSFHYENZVNM-GFCCVEGCSA-N 0 3 373.359 1.759 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000566982244 547953463 /nfs/dbraw/zinc/95/34/63/547953463.db2.gz DFYCZXJCFUDPHL-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN CC1(C)Oc2ccsc2[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC000567872876 548301671 /nfs/dbraw/zinc/30/16/71/548301671.db2.gz ITGOIHSVCJQCNS-SUHUHFCYSA-N 0 3 368.415 1.077 20 5 FDBDHN CNC(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000568555841 548585575 /nfs/dbraw/zinc/58/55/75/548585575.db2.gz WLVUZXXSIKIMHH-HNNXBMFYSA-N 0 3 359.382 1.484 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000569146142 548814781 /nfs/dbraw/zinc/81/47/81/548814781.db2.gz YVNYUFOAIAJYRB-HNNXBMFYSA-N 0 3 367.402 1.309 20 5 FDBDHN O=C(CCN1CCC[C@@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000570105358 549160394 /nfs/dbraw/zinc/16/03/94/549160394.db2.gz ZESUUGHOEXJJIH-OAHLLOKOSA-N 0 3 362.430 1.720 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cn3ccnc3)cc2)c1 ZINC000571516177 549672627 /nfs/dbraw/zinc/67/26/27/549672627.db2.gz JAAKHCHIWPYLQC-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000571681052 549733344 /nfs/dbraw/zinc/73/33/44/549733344.db2.gz KAICIBYJBYURPK-UHFFFAOYSA-N 0 3 350.400 1.922 20 5 FDBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000572080255 549837773 /nfs/dbraw/zinc/83/77/73/549837773.db2.gz FSVOIOCOYZYXMX-UHFFFAOYSA-N 0 3 359.386 1.813 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000572415468 549909696 /nfs/dbraw/zinc/90/96/96/549909696.db2.gz SPFBBIUIPMQHFC-LBPRGKRZSA-N 0 3 350.419 1.941 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000574445354 550314737 /nfs/dbraw/zinc/31/47/37/550314737.db2.gz ZJMLCFYNSSPFTB-LLVKDONJSA-N 0 3 360.292 1.683 20 5 FDBDHN COC(=O)COc1ccc(CNCCc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000576196785 550521700 /nfs/dbraw/zinc/52/17/00/550521700.db2.gz FSWCMONLBYEWGG-UHFFFAOYSA-N 0 3 366.399 1.639 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000576833615 550590999 /nfs/dbraw/zinc/59/09/99/550590999.db2.gz ADVFFKOBAVAJCJ-LBPRGKRZSA-N 0 3 364.402 1.485 20 5 FDBDHN COC(=O)CC1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000577854642 550702199 /nfs/dbraw/zinc/70/21/99/550702199.db2.gz UOOPCFLJNPBCPJ-UHFFFAOYSA-N 0 3 351.359 1.617 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000578257081 550745480 /nfs/dbraw/zinc/74/54/80/550745480.db2.gz FZXQIASDHFPDRI-CQSZACIVSA-N 0 3 362.430 1.320 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000580728963 551012814 /nfs/dbraw/zinc/01/28/14/551012814.db2.gz IMEMFWVLTADZGU-PXAZEXFGSA-N 0 3 352.387 1.787 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000581156939 551058267 /nfs/dbraw/zinc/05/82/67/551058267.db2.gz QICFJTWPVMRCPU-UHFFFAOYSA-N 0 3 350.419 1.594 20 5 FDBDHN CNc1nccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000582369910 551214453 /nfs/dbraw/zinc/21/44/53/551214453.db2.gz ZBEILABUWLEUIJ-AWEZNQCLSA-N 0 3 371.397 1.850 20 5 FDBDHN C[C@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000583445001 551352978 /nfs/dbraw/zinc/35/29/78/551352978.db2.gz SSIGJRDVSIOVDD-SFHVURJKSA-N 0 3 357.414 1.962 20 5 FDBDHN CN1CCC(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000585686558 551581616 /nfs/dbraw/zinc/58/16/16/551581616.db2.gz FTNLCKOZGGWUIL-UHFFFAOYSA-N 0 3 362.430 1.244 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CCC[C@@H](N4CCCC4)C3)cc2n(C)c1=O ZINC000587313717 551631615 /nfs/dbraw/zinc/63/16/15/551631615.db2.gz NJLQEOXMTDDOCA-CYBMUJFWSA-N 0 3 359.430 1.850 20 5 FDBDHN COc1cnccc1N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588038698 551642541 /nfs/dbraw/zinc/64/25/41/551642541.db2.gz BTPPKFDREHZDAB-UHFFFAOYSA-N 0 3 359.386 1.400 20 5 FDBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860128 551693894 /nfs/dbraw/zinc/69/38/94/551693894.db2.gz DUCBSNFYYYTSGK-LSDHHAIUSA-N 0 3 371.397 1.062 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860567 551693907 /nfs/dbraw/zinc/69/39/07/551693907.db2.gz IRQLMMDDVLUNDR-CABCVRRESA-N 0 3 358.398 1.286 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCCN2CCN(C)CC2)c1 ZINC000589516420 551734716 /nfs/dbraw/zinc/73/47/16/551734716.db2.gz WGIHVQGASXHIMM-UHFFFAOYSA-N 0 3 364.446 1.451 20 5 FDBDHN Cc1nn(CCC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000590398882 551780322 /nfs/dbraw/zinc/78/03/22/551780322.db2.gz BRNITEPPYSQEBS-CABCVRRESA-N 0 3 365.434 1.120 20 5 FDBDHN COc1ccc(CSCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447052 551785571 /nfs/dbraw/zinc/78/55/71/551785571.db2.gz XZXLZBONISSGSZ-HIFRSBDPSA-N 0 3 365.455 1.999 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000590537137 551789493 /nfs/dbraw/zinc/78/94/93/551789493.db2.gz BAYJIAQJCZOXTL-KRWDZBQOSA-N 0 3 351.403 1.522 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590548766 551790922 /nfs/dbraw/zinc/79/09/22/551790922.db2.gz FXKSOIUBAIIWSL-LLVKDONJSA-N 0 3 350.400 1.371 20 5 FDBDHN CN(C)CCn1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000590627938 551799665 /nfs/dbraw/zinc/79/96/65/551799665.db2.gz OJCRTJPLWUIRCY-UHFFFAOYSA-N 0 3 359.386 1.955 20 5 FDBDHN C[S@](=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591749922 551906044 /nfs/dbraw/zinc/90/60/44/551906044.db2.gz OZGAFMGQNZASDQ-PWECECGKSA-N 0 3 364.423 1.862 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592212668 551961291 /nfs/dbraw/zinc/96/12/91/551961291.db2.gz ZZCLUHWKIPHXDF-UHFFFAOYSA-N 0 3 364.402 1.932 20 5 FDBDHN CC1(C)CN[C@@H]1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000592277593 551972038 /nfs/dbraw/zinc/97/20/38/551972038.db2.gz ACZFIBMNGBXRCY-OAHLLOKOSA-N 0 3 372.429 1.508 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592872938 552037372 /nfs/dbraw/zinc/03/73/72/552037372.db2.gz NGEZGEZMHIASCA-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN COc1cc(C(=O)Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])cc1F ZINC000593334642 552091357 /nfs/dbraw/zinc/09/13/57/552091357.db2.gz HZTRFLZXMFYFFE-UHFFFAOYSA-N 0 3 351.338 1.753 20 5 FDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000594198201 552263589 /nfs/dbraw/zinc/26/35/89/552263589.db2.gz FIVVGCYUMJJWNU-HUUCEWRRSA-N 0 3 370.413 1.922 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594326718 552288860 /nfs/dbraw/zinc/28/88/60/552288860.db2.gz QOOOQWGTNNVHRW-GOEBONIOSA-N 0 3 360.414 1.975 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594327978 552289853 /nfs/dbraw/zinc/28/98/53/552289853.db2.gz YINMQLCITVTKOV-GOEBONIOSA-N 0 3 360.414 1.975 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594601212 552339233 /nfs/dbraw/zinc/33/92/33/552339233.db2.gz MQTNEXDNCNLRJQ-ZFWWWQNUSA-N 0 3 368.459 1.932 20 5 FDBDHN N[C@H]1C[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000594694224 552356083 /nfs/dbraw/zinc/35/60/83/552356083.db2.gz HFMXQVMZIFTNRO-UWVGGRQHSA-N 0 3 355.192 1.106 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000595410358 552553177 /nfs/dbraw/zinc/55/31/77/552553177.db2.gz JQTAHOMOJADTLC-ZDUSSCGKSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000595410358 552553179 /nfs/dbraw/zinc/55/31/79/552553179.db2.gz JQTAHOMOJADTLC-ZDUSSCGKSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410410 552553675 /nfs/dbraw/zinc/55/36/75/552553675.db2.gz LQZSEHKDWIOTRH-CYBMUJFWSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410410 552553677 /nfs/dbraw/zinc/55/36/77/552553677.db2.gz LQZSEHKDWIOTRH-CYBMUJFWSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4cn[nH]n4)CC3)nc2c1 ZINC000595430686 552558626 /nfs/dbraw/zinc/55/86/26/552558626.db2.gz BOALXGNYAGMZMQ-UHFFFAOYSA-N 0 3 356.390 1.344 20 5 FDBDHN CCCN1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595804620 552617854 /nfs/dbraw/zinc/61/78/54/552617854.db2.gz ARLIBHRBJKUTGU-HNNXBMFYSA-N 0 3 361.446 1.911 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000595805137 552617891 /nfs/dbraw/zinc/61/78/91/552617891.db2.gz GASTYJZRYFXMLZ-CYBMUJFWSA-N 0 3 350.423 1.622 20 5 FDBDHN C[C@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000596047734 552649539 /nfs/dbraw/zinc/64/95/39/552649539.db2.gz ABPPDWOOZPMZEU-NSHDSACASA-N 0 3 364.221 1.388 20 5 FDBDHN C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]C1 ZINC000596051559 552650142 /nfs/dbraw/zinc/65/01/42/552650142.db2.gz RCVZAQVGPDQDRF-NSHDSACASA-N 0 3 364.221 1.388 20 5 FDBDHN COc1ccc(CSCC(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596580790 552691415 /nfs/dbraw/zinc/69/14/15/552691415.db2.gz SEFMBKWDIBRVRF-UHFFFAOYSA-N 0 3 367.427 1.037 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597573324 552806656 /nfs/dbraw/zinc/80/66/56/552806656.db2.gz DILZZJBIYSOZLB-SFHVURJKSA-N 0 3 360.414 1.465 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597574588 552806913 /nfs/dbraw/zinc/80/69/13/552806913.db2.gz QPOANLZWFJCFAE-INIZCTEOSA-N 0 3 373.356 1.725 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000597653778 552818105 /nfs/dbraw/zinc/81/81/05/552818105.db2.gz LYSORLPAYIWOET-HNNXBMFYSA-N 0 3 372.425 1.859 20 5 FDBDHN C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597694166 552823365 /nfs/dbraw/zinc/82/33/65/552823365.db2.gz JESFUYAXXKIRPF-CYBMUJFWSA-N 0 3 364.421 1.543 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598185420 552873735 /nfs/dbraw/zinc/87/37/35/552873735.db2.gz JUQXZDNLUDYDNJ-UHFFFAOYSA-N 0 3 368.459 1.165 20 5 FDBDHN C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000598591646 552912641 /nfs/dbraw/zinc/91/26/41/552912641.db2.gz XOURCCSDOSUEFC-KBPBESRZSA-N 0 3 364.450 1.896 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897299 552940926 /nfs/dbraw/zinc/94/09/26/552940926.db2.gz CFHWEGDBCQMPDJ-SWLSCSKDSA-N 0 3 363.418 1.515 20 5 FDBDHN CC(C)N1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598903628 552942410 /nfs/dbraw/zinc/94/24/10/552942410.db2.gz YDNNFPAGOPWTCO-CQSZACIVSA-N 0 3 363.418 1.705 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599055016 552963074 /nfs/dbraw/zinc/96/30/74/552963074.db2.gz FCQRLIKRUFALFV-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN CN1C2(CCC2)COC[C@@]1(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599063204 552963928 /nfs/dbraw/zinc/96/39/28/552963928.db2.gz ZEYRJLJOPRGUHH-APWZRJJASA-N 0 3 361.442 1.788 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599107806 552968565 /nfs/dbraw/zinc/96/85/65/552968565.db2.gz VQBDJRQDMXNOIU-LBPRGKRZSA-N 0 3 359.379 1.305 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000599682610 553120865 /nfs/dbraw/zinc/12/08/65/553120865.db2.gz IJZFTUWMODLOML-DZGCQCFKSA-N 0 3 361.358 1.735 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000599684688 553121558 /nfs/dbraw/zinc/12/15/58/553121558.db2.gz GGFZJBZUTKXSGH-VHDGCEQUSA-N 0 3 364.358 1.146 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599688315 553122121 /nfs/dbraw/zinc/12/21/21/553122121.db2.gz CIYDUMOHHFOOOT-HLPPOEQASA-N 0 3 366.414 1.997 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601145651 553352623 /nfs/dbraw/zinc/35/26/23/553352623.db2.gz ZJNDYUZPYNKAEN-SNVBAGLBSA-N 0 3 364.372 1.785 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000601170696 553355774 /nfs/dbraw/zinc/35/57/74/553355774.db2.gz UTZXZUBJPFEFRS-SECBINFHSA-N 0 3 351.329 1.606 20 5 FDBDHN CC(C)N1CCN(C2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)CC1 ZINC000602487372 553591697 /nfs/dbraw/zinc/59/16/97/553591697.db2.gz ZISGXIDGIFKISV-UHFFFAOYSA-N 0 3 350.467 1.319 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609187999 554347170 /nfs/dbraw/zinc/34/71/70/554347170.db2.gz ZLBJKSFUEUWWEM-OAHLLOKOSA-N 0 3 365.430 1.933 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609382778 554373026 /nfs/dbraw/zinc/37/30/26/554373026.db2.gz DKKYUNVOITTWPZ-AWEZNQCLSA-N 0 3 355.398 1.995 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609514051 554385998 /nfs/dbraw/zinc/38/59/98/554385998.db2.gz VIVWGYNGKUVNOZ-CHWSQXEVSA-N 0 3 364.402 1.393 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609876516 554432332 /nfs/dbraw/zinc/43/23/32/554432332.db2.gz BVGSIFZYXAJVRZ-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609920594 554438630 /nfs/dbraw/zinc/43/86/30/554438630.db2.gz TUDMCEBBOXWXOY-OAHLLOKOSA-N 0 3 374.445 1.306 20 5 FDBDHN Cc1cccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000610184554 554471898 /nfs/dbraw/zinc/47/18/98/554471898.db2.gz ULZSMYUMHHKZOL-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000610427639 554504326 /nfs/dbraw/zinc/50/43/26/554504326.db2.gz AEKNVCLKPCWRGW-DGCLKSJQSA-N 0 3 352.439 1.428 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432909 554505178 /nfs/dbraw/zinc/50/51/78/554505178.db2.gz IEDYUJANKXICJK-DLBZAZTESA-N 0 3 356.386 1.380 20 5 FDBDHN O=[N+]([O-])c1c(N2CCCN(C[C@@H]3CCCO3)CC2)nc2sccn21 ZINC000610489142 554518090 /nfs/dbraw/zinc/51/80/90/554518090.db2.gz GNSPIMMRWNYVLU-LBPRGKRZSA-N 0 3 351.432 1.995 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000610506590 554520361 /nfs/dbraw/zinc/52/03/61/554520361.db2.gz DZPXGANDBFPNFE-YPMHNXCESA-N 0 3 360.370 1.246 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000610519997 554521858 /nfs/dbraw/zinc/52/18/58/554521858.db2.gz RKZMNCITZNHMIM-UHFFFAOYSA-N 0 3 371.397 1.721 20 5 FDBDHN CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000611498389 554638367 /nfs/dbraw/zinc/63/83/67/554638367.db2.gz NCUXCJJBQHUEKX-MEDUHNTESA-N 0 3 350.350 1.544 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000611828187 554686717 /nfs/dbraw/zinc/68/67/17/554686717.db2.gz AIGHDXONLKHHFV-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN COc1cccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000618215254 555591850 /nfs/dbraw/zinc/59/18/50/555591850.db2.gz VGBFTGMXVFBWFF-CQSZACIVSA-N 0 3 362.430 1.455 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000618923978 555696360 /nfs/dbraw/zinc/69/63/60/555696360.db2.gz NNYRLXKQJWYXEO-GOSISDBHSA-N 0 3 362.430 1.698 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000619476854 555783682 /nfs/dbraw/zinc/78/36/82/555783682.db2.gz SXMVRCXWUZJYHY-VXGBXAGGSA-N 0 3 355.416 1.509 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000366034679 568260198 /nfs/dbraw/zinc/26/01/98/568260198.db2.gz YDQSGJSQCVFFPM-AWEZNQCLSA-N 0 3 361.446 1.418 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1C ZINC000291843694 568578229 /nfs/dbraw/zinc/57/82/29/568578229.db2.gz HCZYOOBTFCKNCR-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821581973 599267777 /nfs/dbraw/zinc/26/77/77/599267777.db2.gz ZNCULEQQGJBSPD-ZDUSSCGKSA-N 0 3 368.401 1.755 20 5 FDBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821581973 599267779 /nfs/dbraw/zinc/26/77/79/599267779.db2.gz ZNCULEQQGJBSPD-ZDUSSCGKSA-N 0 3 368.401 1.755 20 5 FDBDHN C[NH+](C)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821583504 599518285 /nfs/dbraw/zinc/51/82/85/599518285.db2.gz XYDPHLHIHBYGOC-GFCCVEGCSA-N 0 3 368.401 1.854 20 5 FDBDHN C[NH+](C)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821583504 599518288 /nfs/dbraw/zinc/51/82/88/599518288.db2.gz XYDPHLHIHBYGOC-GFCCVEGCSA-N 0 3 368.401 1.854 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000273129278 674509116 /nfs/dbraw/zinc/50/91/16/674509116.db2.gz REWAKQIARCXMHB-DOTOQJQBSA-N 0 3 350.346 1.797 20 5 FDBDHN CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821189272 606240072 /nfs/dbraw/zinc/24/00/72/606240072.db2.gz KCZMBCJOWOUXMG-UHFFFAOYSA-N 0 3 363.422 1.570 20 5 FDBDHN CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821189272 606240074 /nfs/dbraw/zinc/24/00/74/606240074.db2.gz KCZMBCJOWOUXMG-UHFFFAOYSA-N 0 3 363.422 1.570 20 5 FDBDHN CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000825212232 607841220 /nfs/dbraw/zinc/84/12/20/607841220.db2.gz QNMURMZIRIOFDV-VXGBXAGGSA-N 0 3 361.406 1.056 20 5 FDBDHN CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000825212232 607841221 /nfs/dbraw/zinc/84/12/21/607841221.db2.gz QNMURMZIRIOFDV-VXGBXAGGSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000119203225 671671815 /nfs/dbraw/zinc/67/18/15/671671815.db2.gz QYGSJVRRWOBRGL-LLVKDONJSA-N 0 3 353.404 1.514 20 5 FDBDHN COc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193908356 672375331 /nfs/dbraw/zinc/37/53/31/672375331.db2.gz BIBOUHRGKBNKMW-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000267764051 673323799 /nfs/dbraw/zinc/32/37/99/673323799.db2.gz SGXFFAZRWKLICF-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN COCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280426335 675421344 /nfs/dbraw/zinc/42/13/44/675421344.db2.gz BXHRLUKMRRUQKI-UHFFFAOYSA-N 0 3 351.403 1.509 20 5 FDBDHN CCC[C@@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 ZINC000285597298 675835848 /nfs/dbraw/zinc/83/58/48/675835848.db2.gz PKEBXPIFCLXRDV-MRXNPFEDSA-N 0 3 351.359 1.811 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292116087 676284416 /nfs/dbraw/zinc/28/44/16/676284416.db2.gz WCWWEDBIBHTTFT-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C[C@H]21 ZINC000370210294 677552774 /nfs/dbraw/zinc/55/27/74/677552774.db2.gz OYHCJBDFPGDUIS-JOYOIKCWSA-N 0 3 369.219 1.919 20 5 FDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372110502 677844951 /nfs/dbraw/zinc/84/49/51/677844951.db2.gz FGPGXBLBRJBVOI-NSHDSACASA-N 0 3 355.341 1.856 20 5 FDBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000377048825 678436912 /nfs/dbraw/zinc/43/69/12/678436912.db2.gz URLNUGLVZOTFGW-UHFFFAOYSA-N 0 3 361.324 1.853 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377510144 678550962 /nfs/dbraw/zinc/55/09/62/678550962.db2.gz DWYDKHBWFWDQRK-DGCLKSJQSA-N 0 3 353.350 1.092 20 5 FDBDHN COC1(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421388981 680656241 /nfs/dbraw/zinc/65/62/41/680656241.db2.gz QNHPSTDBEZFMQM-UHFFFAOYSA-N 0 3 371.459 1.764 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429782723 681047797 /nfs/dbraw/zinc/04/77/97/681047797.db2.gz GXVGWPXSZFUOQG-ZYHUDNBSSA-N 0 3 354.794 1.691 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000475111283 685559762 /nfs/dbraw/zinc/55/97/62/685559762.db2.gz DCIVOGSFDOOEGF-HNNXBMFYSA-N 0 3 352.387 1.882 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])cc1F ZINC000452346357 683054854 /nfs/dbraw/zinc/05/48/54/683054854.db2.gz VCRGLXUPNAOKIK-LLVKDONJSA-N 0 3 355.366 1.319 20 5 FDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000489481053 687100899 /nfs/dbraw/zinc/10/08/99/687100899.db2.gz ZTPFKEYQQROJED-UKPHBRMFSA-N 0 3 354.403 1.460 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000523094825 694514327 /nfs/dbraw/zinc/51/43/27/694514327.db2.gz KTWZFWLVVPTZTB-UHFFFAOYSA-N 0 3 354.407 1.279 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000532992846 694899019 /nfs/dbraw/zinc/89/90/19/694899019.db2.gz IUAGSOVHYZIBQK-JSGCOSHPSA-N 0 3 366.443 1.627 20 5 FDBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868342 721047463 /nfs/dbraw/zinc/04/74/63/721047463.db2.gz NYLRFCVWCPEQTN-IRXDYDNUSA-N 0 3 355.398 1.865 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766447 721077228 /nfs/dbraw/zinc/07/72/28/721077228.db2.gz KHLSLIYFNMNLKG-CVEARBPZSA-N 0 3 356.430 1.990 20 5 FDBDHN Nc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164867212 721104485 /nfs/dbraw/zinc/10/44/85/721104485.db2.gz WXXMBSLXHGXKFW-LSDHHAIUSA-N 0 3 370.413 1.447 20 5 FDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ncc1Br)C1CC1 ZINC000828774531 771886133 /nfs/dbraw/zinc/88/61/33/771886133.db2.gz LGGVDHDJEROSBJ-UHFFFAOYSA-N 0 3 357.208 1.919 20 5 FDBDHN Cc1ccn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)c(=O)c1[N+](=O)[O-] ZINC000471515266 773538724 /nfs/dbraw/zinc/53/87/24/773538724.db2.gz JBCYXMOYKPBAQH-HNNXBMFYSA-N 0 3 358.398 1.484 20 5 FDBDHN Nc1nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000276982565 780489659 /nfs/dbraw/zinc/48/96/59/780489659.db2.gz FSOVPDIAFIHYQC-AWEZNQCLSA-N 0 3 358.402 1.670 20 5 FDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(CCN2CCCOCC2)CC1 ZINC000376923218 790856253 /nfs/dbraw/zinc/85/62/53/790856253.db2.gz PLKKGLBIZNYIQM-UHFFFAOYSA-N 0 3 362.430 1.075 20 5 FDBDHN Cc1noc(C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000277270364 781276670 /nfs/dbraw/zinc/27/66/70/781276670.db2.gz ROUUDWAVHVEDGK-JKSUJKDBSA-N 0 3 372.385 1.417 20 5 FDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000292841903 787615097 /nfs/dbraw/zinc/61/50/97/787615097.db2.gz BCWWNDMORNXLLK-MRXNPFEDSA-N 0 3 361.402 1.785 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCC(C)(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000376428595 787738895 /nfs/dbraw/zinc/73/88/95/787738895.db2.gz PFLHUAUYFVUVGA-UHFFFAOYSA-N 0 3 365.434 1.455 20 5 FDBDHN COc1cc(Cl)ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776087 792012854 /nfs/dbraw/zinc/01/28/54/792012854.db2.gz WXQZKNNIRIQEMS-SSZWKKLZSA-N 0 3 365.817 1.560 20 5 FDBDHN Cc1ccnc(NC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000365716819 792858944 /nfs/dbraw/zinc/85/89/44/792858944.db2.gz DZMJSXBEBYLOAF-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN O=C(NC[C@H]1CCCCN1CCO)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452394738 793935083 /nfs/dbraw/zinc/93/50/83/793935083.db2.gz VLKABIOXFBOHER-CYBMUJFWSA-N 0 3 374.397 1.425 20 5 FDBDHN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000500413361 796096412 /nfs/dbraw/zinc/09/64/12/796096412.db2.gz GVYJLYNSDRBXDP-HIFRSBDPSA-N 0 3 361.446 1.275 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432336221 807301681 /nfs/dbraw/zinc/30/16/81/807301681.db2.gz OYYNJTPCWLMHSG-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000397618168 810669944 /nfs/dbraw/zinc/66/99/44/810669944.db2.gz UVNNTORDTLZKRD-UHFFFAOYSA-N 0 3 358.398 1.680 20 5 FDBDHN N[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261714368 811302808 /nfs/dbraw/zinc/30/28/08/811302808.db2.gz CBPOVKKMJRMIGD-KRWDZBQOSA-N 0 3 363.414 1.719 20 5 FDBDHN CCCNC(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515165970 816127106 /nfs/dbraw/zinc/12/71/06/816127106.db2.gz RFMNMRQKSQMRTJ-MRXNPFEDSA-N 0 3 361.402 1.082 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516629742 816937424 /nfs/dbraw/zinc/93/74/24/816937424.db2.gz IPUFWHNMTHMYMD-UHFFFAOYSA-N 0 3 360.414 1.032 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)CCN2C1=O ZINC000518397371 817858592 /nfs/dbraw/zinc/85/85/92/817858592.db2.gz GMZYXCSNSSDJGU-RDTXWAMCSA-N 0 3 360.417 1.772 20 5 FDBDHN CN(C)CCN1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000894380981 817949638 /nfs/dbraw/zinc/94/96/38/817949638.db2.gz AAKCFPQPLLJCPK-UHFFFAOYSA-N 0 3 361.377 1.492 20 5 FDBDHN CC(C)(C)c1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983655822 818420218 /nfs/dbraw/zinc/42/02/18/818420218.db2.gz WEAIJVJYKVJKRD-DDHJBXDOSA-N 0 3 351.407 1.017 20 5 FDBDHN O=C(N[C@H]1C[C@H](CNCc2nc(C3CCCC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656181 818422501 /nfs/dbraw/zinc/42/25/01/818422501.db2.gz ZBJMLSRNMICNEF-FMKGYKFTSA-N 0 3 363.418 1.377 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446193519 828433440 /nfs/dbraw/zinc/43/34/40/828433440.db2.gz VFDGLVIKGKYFKH-RKVPGOIHSA-N 0 3 362.430 1.655 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444461985 828112327 /nfs/dbraw/zinc/11/23/27/828112327.db2.gz SQZZJLUBEGHQMN-UHFFFAOYSA-N 0 3 373.413 1.777 20 5 FDBDHN O=c1[nH]cnc2cc(N3CCN(CC4CCOCC4)CC3)c([N+](=O)[O-])cc21 ZINC000524051865 828314962 /nfs/dbraw/zinc/31/49/62/828314962.db2.gz FVFJROQOOQOTDT-UHFFFAOYSA-N 0 3 373.413 1.792 20 5 FDBDHN CN1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCC1(C)C ZINC000899813850 846730101 /nfs/dbraw/zinc/73/01/01/846730101.db2.gz MQKRYPIDKAMPGJ-UHFFFAOYSA-N 0 3 372.429 1.791 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906616734 853054377 /nfs/dbraw/zinc/05/43/77/853054377.db2.gz ODGDNJBTSJVNCZ-CYBMUJFWSA-N 0 3 361.398 1.970 20 5 FDBDHN CCN1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000910285833 857034433 /nfs/dbraw/zinc/03/44/33/857034433.db2.gz UVSVPDYHZZORTF-CYBMUJFWSA-N 0 3 358.402 1.732 20 5 FDBDHN CCN1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910291328 857067247 /nfs/dbraw/zinc/06/72/47/857067247.db2.gz CFPMFDRDKZCTMF-ZDUSSCGKSA-N 0 3 358.402 1.732 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489207768 859411230 /nfs/dbraw/zinc/41/12/30/859411230.db2.gz STYHSYIBPGCIRR-ZFWWWQNUSA-N 0 3 365.430 1.967 20 5 FDBDHN Cn1ccnc1[C@@H](NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521729 877728459 /nfs/dbraw/zinc/72/84/59/877728459.db2.gz LHBIRNSOMIENNT-SFHVURJKSA-N 0 3 372.473 1.645 20 5 FDBDHN C[C@@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922538670 878488649 /nfs/dbraw/zinc/48/86/49/878488649.db2.gz VFCLAVGBGBYEDD-CQSZACIVSA-N 0 3 356.430 1.987 20 5 FDBDHN Cc1nccnc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034816640 885148297 /nfs/dbraw/zinc/14/82/97/885148297.db2.gz SPNVUANCCOZSQV-NVXWUHKLSA-N 0 3 355.398 1.356 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3nccs3)C2)CC1 ZINC001035186400 885730070 /nfs/dbraw/zinc/73/00/70/885730070.db2.gz DAKKWCFMHINAEY-CHWSQXEVSA-N 0 3 350.444 1.623 20 5 FDBDHN COc1cc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)ccn1 ZINC001035704294 886329494 /nfs/dbraw/zinc/32/94/94/886329494.db2.gz JSDYLFPBDKWXBP-HUUCEWRRSA-N 0 3 360.414 1.180 20 5 FDBDHN CCc1onc(C)c1CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035708226 886346005 /nfs/dbraw/zinc/34/60/05/886346005.db2.gz UJGMOWCGOCEWNB-UKRRQHHQSA-N 0 3 362.430 1.635 20 5 FDBDHN Cc1cc2c[nH]nc2c(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000941007907 893617368 /nfs/dbraw/zinc/61/73/68/893617368.db2.gz OVJJDFMUPDGGGP-UKRRQHHQSA-N 0 3 371.397 1.211 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2noc(-c3ccoc3)n2)CC1 ZINC000996443056 903891288 /nfs/dbraw/zinc/89/12/88/903891288.db2.gz YLQFKGVTHIEJIV-CHWSQXEVSA-N 0 3 361.358 1.075 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc(C3CCCC3)no2)CC1 ZINC000996429241 903913086 /nfs/dbraw/zinc/91/30/86/903913086.db2.gz NKQSYWLSUDHKOZ-ZIAGYGMSSA-N 0 3 363.418 1.473 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000730456866 916832567 /nfs/dbraw/zinc/83/25/67/916832567.db2.gz LMYFBCVJPNLFLI-HIFRSBDPSA-N 0 3 356.386 1.329 20 5 FDBDHN C[N@@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736856020 924900247 /nfs/dbraw/zinc/90/02/47/924900247.db2.gz IGUVZCXYNZEOHW-UHFFFAOYSA-N 0 3 354.374 1.465 20 5 FDBDHN C[N@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736856020 924900250 /nfs/dbraw/zinc/90/02/50/924900250.db2.gz IGUVZCXYNZEOHW-UHFFFAOYSA-N 0 3 354.374 1.465 20 5 FDBDHN C[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736856020 924900251 /nfs/dbraw/zinc/90/02/51/924900251.db2.gz IGUVZCXYNZEOHW-UHFFFAOYSA-N 0 3 354.374 1.465 20 5 FDBDHN C[N@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736856020 924900253 /nfs/dbraw/zinc/90/02/53/924900253.db2.gz IGUVZCXYNZEOHW-UHFFFAOYSA-N 0 3 354.374 1.465 20 5 FDBDHN O=C(NC[C@H]1C[C@@H](NCc2ncc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084280 925920923 /nfs/dbraw/zinc/92/09/23/925920923.db2.gz KSNFTLWZTUCTMU-SLBVQIDZSA-N 0 3 370.409 1.991 20 5 FDBDHN O=C(NC[C@H]1C[C@H](NCc2nnc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363902 926848065 /nfs/dbraw/zinc/84/80/65/926848065.db2.gz NKLQLWQFVISTCY-NMFUWQPSSA-N 0 3 371.397 1.386 20 5 FDBDHN CC(C)(C)OC(=O)NCCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011318 928220982 /nfs/dbraw/zinc/22/09/82/928220982.db2.gz JTNXRECPFOKHAD-LSDHHAIUSA-N 0 3 356.467 1.574 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169030077 928227561 /nfs/dbraw/zinc/22/75/61/928227561.db2.gz VYXDMRNIKRECQH-CVEARBPZSA-N 0 3 362.478 1.568 20 5 FDBDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018820 928239748 /nfs/dbraw/zinc/23/97/48/928239748.db2.gz FILJBZFRBICIEJ-CKEIUWERSA-N 0 3 352.435 1.519 20 5 FDBDHN COC(=O)c1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000790102088 933365925 /nfs/dbraw/zinc/36/59/25/933365925.db2.gz WLQXDEULPLKYPK-AWEZNQCLSA-N 0 3 364.402 1.832 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823015892 945349612 /nfs/dbraw/zinc/34/96/12/945349612.db2.gz MJJMTJRVJDZPJA-UHFFFAOYSA-N 0 3 356.354 1.000 20 5 FDBDHN CCN(CC)CCS(=O)(=O)Oc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000810041653 940945200 /nfs/dbraw/zinc/94/52/00/940945200.db2.gz KJAARXZMLJOERH-UHFFFAOYSA-N 0 3 360.388 1.432 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000813104065 941326250 /nfs/dbraw/zinc/32/62/50/941326250.db2.gz JJUMVDXOFGYPIF-UMSGYPCISA-N 0 3 372.443 1.492 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)[N+](=O)[O-] ZINC000813109574 941334153 /nfs/dbraw/zinc/33/41/53/941334153.db2.gz MKBBAVDDHOMLLE-UONOGXRCSA-N 0 3 350.371 1.512 20 5 FDBDHN CC(COC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)[N+](=O)[O-] ZINC000813111997 941335190 /nfs/dbraw/zinc/33/51/90/941335190.db2.gz BPAOFRKVLHMIKK-LLVKDONJSA-N 0 3 358.416 1.727 20 5 FDBDHN CC(COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] ZINC000813112707 941335802 /nfs/dbraw/zinc/33/58/02/941335802.db2.gz TYSBRGOEPIFMLC-VIFPVBQESA-N 0 3 353.287 1.491 20 5 FDBDHN CC(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813114329 941336249 /nfs/dbraw/zinc/33/62/49/941336249.db2.gz PURQSXCKHCITDK-SNVBAGLBSA-N 0 3 362.429 1.745 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@@H]2C1 ZINC000816949535 942397499 /nfs/dbraw/zinc/39/74/99/942397499.db2.gz YUCLRILXKYVVIN-LDYMZIIASA-N 0 3 355.192 1.528 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)c2ccccc2)c1 ZINC000818980651 943369385 /nfs/dbraw/zinc/36/93/85/943369385.db2.gz GUTKOVFKVRHTIC-MRXNPFEDSA-N 0 3 365.411 1.196 20 5 FDBDHN CC(C)(C)S(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819059575 943399545 /nfs/dbraw/zinc/39/95/45/943399545.db2.gz ALJUWRBTTPQKND-LBPRGKRZSA-N 0 3 360.432 1.137 20 5 FDBDHN CC(C)(C)S(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819061002 943400009 /nfs/dbraw/zinc/40/00/09/943400009.db2.gz MYSCOYGUYOAZOJ-ZDUSSCGKSA-N 0 3 360.432 1.137 20 5 FDBDHN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1cccnc1 ZINC000819224447 943496416 /nfs/dbraw/zinc/49/64/16/943496416.db2.gz FNQISPYZVLUOHV-DLBZAZTESA-N 0 3 356.382 1.808 20 5 FDBDHN Cc1cc(S(N)(=O)=O)ccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819267028 943518884 /nfs/dbraw/zinc/51/88/84/943518884.db2.gz IOGQWLRJSNZWSE-INIZCTEOSA-N 0 3 365.411 1.374 20 5 FDBDHN CN1CCN(CC2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000820496431 944072091 /nfs/dbraw/zinc/07/20/91/944072091.db2.gz YQFUHVJMHPMIPW-QZTJIDSGSA-N 0 3 358.442 1.404 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823950118 946090426 /nfs/dbraw/zinc/09/04/26/946090426.db2.gz CVWLABHOMLLTCJ-GFCCVEGCSA-N 0 3 363.418 1.894 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825331496 947157498 /nfs/dbraw/zinc/15/74/98/947157498.db2.gz OMJYDOFLOYLZGX-HNNXBMFYSA-N 0 3 366.393 1.406 20 5 FDBDHN CC([C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875159 950047193 /nfs/dbraw/zinc/04/71/93/950047193.db2.gz LZECNCIRLPTXRF-ABAIWWIYSA-N 0 3 374.390 1.501 20 5 FDBDHN CC([C@@H](OC(=O)CCn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882886 950062984 /nfs/dbraw/zinc/06/29/84/950062984.db2.gz PZYKFLSCVSQRQN-QMTHXVAHSA-N 0 3 352.322 1.061 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC(N[C@H]2CCOC2)C1 ZINC001179008968 964625192 /nfs/dbraw/zinc/62/51/92/964625192.db2.gz VTDDAXPNDBFMJP-JTQLQIEISA-N 0 3 358.354 1.052 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853508046 968063224 /nfs/dbraw/zinc/06/32/24/968063224.db2.gz ISPJMNRSLVNPCM-AWEZNQCLSA-N 0 3 374.445 1.588 20 5 FDBDHN C/C(=C/C(=O)N1CC(CN2CCN(C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854644600 969049454 /nfs/dbraw/zinc/04/94/54/969049454.db2.gz PWHMZPOETZPHLT-PTNGSMBKSA-N 0 3 358.442 1.704 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112917532 970092061 /nfs/dbraw/zinc/09/20/61/970092061.db2.gz HJHYDMMSFLTOJO-LBPRGKRZSA-N 0 3 365.390 1.259 20 5 FDBDHN CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@H]1CCN(C)C1 ZINC000855360544 970314050 /nfs/dbraw/zinc/31/40/50/970314050.db2.gz HBTOHXFQKRAQMK-ZDUSSCGKSA-N 0 3 365.386 1.347 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000863585136 973034715 /nfs/dbraw/zinc/03/47/15/973034715.db2.gz RGYUFQVDGMOUQP-RTBURBONSA-N 0 3 372.425 1.514 20 5 FDBDHN Nc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000794591058 973413353 /nfs/dbraw/zinc/41/33/53/973413353.db2.gz FZVJPIBNVGWCAD-HNNXBMFYSA-N 0 3 356.382 1.996 20 5 FDBDHN Cn1ccnc1[C@H](N[C@H]1CCN(CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866412388 975621415 /nfs/dbraw/zinc/62/14/15/975621415.db2.gz IDHUKCCUUPBPGL-DOTOQJQBSA-N 0 3 373.457 1.853 20 5 FDBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](N2CC=CC2)C1 ZINC000848479573 976810458 /nfs/dbraw/zinc/81/04/58/976810458.db2.gz FXNHHVUWQKRYRO-MSOLQXFVSA-N 0 3 356.426 1.814 20 5 FDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000867813117 976920576 /nfs/dbraw/zinc/92/05/76/976920576.db2.gz RERKCDFSHBOVTI-CMPLNLGQSA-N 0 3 359.835 1.963 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000849547048 977728577 /nfs/dbraw/zinc/72/85/77/977728577.db2.gz DLODHCZJQSKKCZ-HOCLYGCPSA-N 0 3 369.425 1.953 20 5 FDBDHN Cc1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000868579169 977787460 /nfs/dbraw/zinc/78/74/60/977787460.db2.gz SIEYMTWLYHVYPR-UHFFFAOYSA-N 0 3 363.462 1.728 20 5 FDBDHN CSc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869785054 985344510 /nfs/dbraw/zinc/34/45/10/985344510.db2.gz ANIUTVLEHPCSPO-LBPRGKRZSA-N 0 3 353.444 1.892 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000886911939 986733471 /nfs/dbraw/zinc/73/34/71/986733471.db2.gz GITPHUWRMLFWAS-GDBMZVCRSA-N 0 3 363.414 1.515 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363943306 989463850 /nfs/dbraw/zinc/46/38/50/989463850.db2.gz WXQVWCUWIINTHX-OAHLLOKOSA-N 0 3 364.421 1.974 20 5 FDBDHN COc1cc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)c([N+](=O)[O-])cc1[O-] ZINC000370822559 990018351 /nfs/dbraw/zinc/01/83/51/990018351.db2.gz PHYJYSAPLPPQIQ-ZDUSSCGKSA-N 0 3 359.386 1.858 20 5 FDBDHN COc1cc(CNC[C@@H]2CCCN2c2cccnn2)c([N+](=O)[O-])cc1O ZINC000370822559 990018357 /nfs/dbraw/zinc/01/83/57/990018357.db2.gz PHYJYSAPLPPQIQ-ZDUSSCGKSA-N 0 3 359.386 1.858 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000371500175 990480754 /nfs/dbraw/zinc/48/07/54/990480754.db2.gz LSLUDDAPCYKPQC-NWDGAFQWSA-N 0 3 371.340 1.789 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825765628 990802151 /nfs/dbraw/zinc/80/21/51/990802151.db2.gz ZFXMDFVVHLOFKV-MRXNPFEDSA-N 0 3 365.430 1.634 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372325539 991015479 /nfs/dbraw/zinc/01/54/79/991015479.db2.gz LAVKCHUNSWYDHP-JKSUJKDBSA-N 0 3 357.414 1.704 20 5 FDBDHN O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000372371375 991050994 /nfs/dbraw/zinc/05/09/94/991050994.db2.gz VWUUSDZODXSPBP-QWHCGFSZSA-N 0 3 359.386 1.454 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000876470708 992628609 /nfs/dbraw/zinc/62/86/09/992628609.db2.gz YVROKZDWUWLPHY-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000876471441 992630541 /nfs/dbraw/zinc/63/05/41/992630541.db2.gz FFBLJDSGEXXNNL-MRXNPFEDSA-N 0 3 371.821 1.667 20 5 FDBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc(N4CCOCC4)n3)C2)c1 ZINC000877422322 993279130 /nfs/dbraw/zinc/27/91/30/993279130.db2.gz QJPMTKQTQJHJPM-UHFFFAOYSA-N 0 3 358.402 1.516 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(NC(N)=O)CC1 ZINC000266851656 999247877 /nfs/dbraw/zinc/24/78/77/999247877.db2.gz DFXWFBISPXXDHC-UHFFFAOYSA-N 0 3 365.390 1.065 20 5 FDBDHN Cc1n[nH]c(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000267284181 999303219 /nfs/dbraw/zinc/30/32/19/999303219.db2.gz YKEYQABAMYRXIG-UHFFFAOYSA-N 0 3 373.413 1.513 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267322291 999311321 /nfs/dbraw/zinc/31/13/21/999311321.db2.gz DFBLCRUVFAFCBP-CABCVRRESA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C)CCn1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1=O ZINC000270231195 999527876 /nfs/dbraw/zinc/52/78/76/999527876.db2.gz NYAQBZNIMLTKCE-UHFFFAOYSA-N 0 3 358.398 1.889 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1 ZINC000270240601 999529809 /nfs/dbraw/zinc/52/98/09/999529809.db2.gz PACFRHYOWFDOIX-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN COc1ccc(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289709836 1000114733 /nfs/dbraw/zinc/11/47/33/1000114733.db2.gz OXXYWABLUGMSIJ-YVEFUNNKSA-N 0 3 362.386 1.556 20 5 FDBDHN CC(C)C[C@H]1CN(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000933250439 1005526186 /nfs/dbraw/zinc/52/61/86/1005526186.db2.gz DLDRPSVMCGOGCK-JKSUJKDBSA-N 0 3 351.447 1.997 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778272606 1005808317 /nfs/dbraw/zinc/80/83/17/1005808317.db2.gz KCGCTHWYWHHOIZ-ZDUSSCGKSA-N 0 3 370.400 1.829 20 5 FDBDHN O=C(NC1CC2(CC(NCc3nnc(C4CC4)o3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000963786068 1012691592 /nfs/dbraw/zinc/69/15/92/1012691592.db2.gz AEXZFHNSGZKMFP-UETSVZEDSA-N 0 3 361.402 1.129 20 5 FDBDHN O=C1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000516964912 539337006 /nfs/dbraw/zinc/33/70/06/539337006.db2.gz CGPUDZXFXADOQU-YOEHRIQHSA-N 0 3 371.393 1.730 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000263956055 179004346 /nfs/dbraw/zinc/00/43/46/179004346.db2.gz CGQXCBNTCSBTAB-CJNGLKHVSA-N 0 3 362.430 1.574 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264190582 179044963 /nfs/dbraw/zinc/04/49/63/179044963.db2.gz NEYAHUPPTSZFIG-YRYLYKBFSA-N 0 3 374.441 1.667 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264272033 179065388 /nfs/dbraw/zinc/06/53/88/179065388.db2.gz MEQXNYCLZHKTCO-UHFFFAOYSA-N 0 3 373.413 1.064 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264761901 179191271 /nfs/dbraw/zinc/19/12/71/179191271.db2.gz MXPHXKNNJIHLON-GFCCVEGCSA-N 0 3 374.397 1.181 20 5 FDBDHN CCOc1cc(NC(=O)C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OCC ZINC000522765483 539579676 /nfs/dbraw/zinc/57/96/76/539579676.db2.gz DYIUICOGGBUMRM-UHFFFAOYSA-N 0 3 368.390 1.009 20 5 FDBDHN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000269150409 180228062 /nfs/dbraw/zinc/22/80/62/180228062.db2.gz ADSFONXFRZFIQB-UHFFFAOYSA-N 0 3 357.370 1.417 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271127454 180576747 /nfs/dbraw/zinc/57/67/47/180576747.db2.gz MERWOEMHUZFIJF-KGLIPLIRSA-N 0 3 368.415 1.929 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000274563669 181123117 /nfs/dbraw/zinc/12/31/17/181123117.db2.gz KLLYGUVBRKBWLI-HUUCEWRRSA-N 0 3 363.462 1.981 20 5 FDBDHN CCOC(=O)[C@@](C)(O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000274689793 181146590 /nfs/dbraw/zinc/14/65/90/181146590.db2.gz ZWRKPRVOQNIKTI-KRWDZBQOSA-N 0 3 352.387 1.752 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[C@H](C)C1 ZINC000530820060 540049716 /nfs/dbraw/zinc/04/97/16/540049716.db2.gz UGIREEFZLHSIRV-AAEUAGOBSA-N 0 3 352.439 1.285 20 5 FDBDHN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397491 540159539 /nfs/dbraw/zinc/15/95/39/540159539.db2.gz VCKIPNUUAYABHP-HNNXBMFYSA-N 0 3 368.393 1.953 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000275057562 181227012 /nfs/dbraw/zinc/22/70/12/181227012.db2.gz VEKVTSASZLIRMV-UHFFFAOYSA-N 0 3 374.419 1.393 20 5 FDBDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000275391181 181306993 /nfs/dbraw/zinc/30/69/93/181306993.db2.gz CSCZLOUNZUCPRC-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN COC[C@@H](CC(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537981452 540794802 /nfs/dbraw/zinc/79/48/02/540794802.db2.gz MKLXYMKDYFQMKE-CYBMUJFWSA-N 0 3 359.448 1.524 20 5 FDBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000539268926 540941206 /nfs/dbraw/zinc/94/12/06/540941206.db2.gz YCHVCOUNERBNGX-IUODEOHRSA-N 0 3 364.402 1.910 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025298 541138075 /nfs/dbraw/zinc/13/80/75/541138075.db2.gz XZMIYWHNVLHBHR-ZIAGYGMSSA-N 0 3 374.319 1.494 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275660190 181380490 /nfs/dbraw/zinc/38/04/90/181380490.db2.gz VKDRESZFVQBVLQ-OLZOCXBDSA-N 0 3 364.402 1.566 20 5 FDBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000543839558 541669828 /nfs/dbraw/zinc/66/98/28/541669828.db2.gz OVBOYQLTUWIBMQ-MRXNPFEDSA-N 0 3 356.382 1.486 20 5 FDBDHN Cc1c(Br)cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545153816 541881619 /nfs/dbraw/zinc/88/16/19/541881619.db2.gz YKQZMUGTYWRMRY-AWEZNQCLSA-N 0 3 372.219 1.462 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269879909 674127769 /nfs/dbraw/zinc/12/77/69/674127769.db2.gz VYOFGRYKCRTJRQ-UHFFFAOYSA-N 0 3 357.432 1.108 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000545485044 541984251 /nfs/dbraw/zinc/98/42/51/541984251.db2.gz BBVHTWREJSIBRV-CQSZACIVSA-N 0 3 360.414 1.899 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286501472 183083250 /nfs/dbraw/zinc/08/32/50/183083250.db2.gz YGTMGSMWIKICKS-VXGBXAGGSA-N 0 3 354.432 1.305 20 5 FDBDHN CC[C@@H](C)N(CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000287339750 183268133 /nfs/dbraw/zinc/26/81/33/183268133.db2.gz KXRRSVGZOOFTHK-OAHLLOKOSA-N 0 3 364.446 1.336 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1N(C)C ZINC000294802572 184009936 /nfs/dbraw/zinc/00/99/36/184009936.db2.gz CGWGTDSVHWPDKM-CABCVRRESA-N 0 3 370.450 1.918 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296716742 184193409 /nfs/dbraw/zinc/19/34/09/184193409.db2.gz BYMBDOCZVCXDMG-NSHDSACASA-N 0 3 364.377 1.747 20 5 FDBDHN Cc1nc(NCc2cccc(C(=O)NCCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000296931489 184216305 /nfs/dbraw/zinc/21/63/05/184216305.db2.gz BGHCGIWUSGLNCP-UHFFFAOYSA-N 0 3 358.402 1.597 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000297125069 184236547 /nfs/dbraw/zinc/23/65/47/184236547.db2.gz XBBPWGNEHPSPCC-VXGBXAGGSA-N 0 3 364.377 1.676 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000297288575 184254894 /nfs/dbraw/zinc/25/48/94/184254894.db2.gz HFXBDJKJZDGDEG-QMTHXVAHSA-N 0 3 352.366 1.389 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000298060987 184385036 /nfs/dbraw/zinc/38/50/36/184385036.db2.gz VUGXDGSGBZFGGO-CYBMUJFWSA-N 0 3 370.837 1.894 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000547276241 542295878 /nfs/dbraw/zinc/29/58/78/542295878.db2.gz XEXXCLVUYMONGS-CYBMUJFWSA-N 0 3 358.192 1.154 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548414120 542660643 /nfs/dbraw/zinc/66/06/43/542660643.db2.gz KRGLFLYNBQNTQV-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]1(C)CCCO1 ZINC000551012922 543215443 /nfs/dbraw/zinc/21/54/43/543215443.db2.gz CEVVHKQHVPDOCV-DOMZBBRYSA-N 0 3 357.432 1.420 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000552700348 543503942 /nfs/dbraw/zinc/50/39/42/543503942.db2.gz CQXDVPPAQZOGCM-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000173403772 258297874 /nfs/dbraw/zinc/29/78/74/258297874.db2.gz VMSXRNHXYKDSLV-OAHLLOKOSA-N 0 3 363.462 1.031 20 5 FDBDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077616446 172130266 /nfs/dbraw/zinc/13/02/66/172130266.db2.gz QSIAQTCBHAQIHR-CQSZACIVSA-N 0 3 370.475 1.147 20 5 FDBDHN Cc1csc(C2(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)n1 ZINC000081595568 172193721 /nfs/dbraw/zinc/19/37/21/172193721.db2.gz ULZDSUIISTWRET-ZDUSSCGKSA-N 0 3 351.432 1.976 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000085455760 172218860 /nfs/dbraw/zinc/21/88/60/172218860.db2.gz QPRKTBPRHVCJTD-HUUCEWRRSA-N 0 3 365.430 1.979 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103175819 172362072 /nfs/dbraw/zinc/36/20/72/172362072.db2.gz IZTXNTCHUTVWDF-UHFFFAOYSA-N 0 3 361.402 1.367 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000103452953 172366411 /nfs/dbraw/zinc/36/64/11/172366411.db2.gz OPFCUKLAEHCCLP-UHFFFAOYSA-N 0 3 358.402 1.589 20 5 FDBDHN CN(C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccccc1 ZINC000127467916 173077525 /nfs/dbraw/zinc/07/75/25/173077525.db2.gz ZYNOVTXDTXMVTG-OAHLLOKOSA-N 0 3 364.427 1.957 20 5 FDBDHN O=C(c1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000131566819 173207346 /nfs/dbraw/zinc/20/73/46/173207346.db2.gz HGJVHQYBHIFPEX-UHFFFAOYSA-N 0 3 362.430 1.335 20 5 FDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181645288 174238563 /nfs/dbraw/zinc/23/85/63/174238563.db2.gz DIHQLRHDFGBGJD-CABCVRRESA-N 0 3 365.430 1.573 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000173517689 258301940 /nfs/dbraw/zinc/30/19/40/258301940.db2.gz GZWCXFFEWQTILL-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180051439 258361130 /nfs/dbraw/zinc/36/11/30/258361130.db2.gz GXYSZYJQPNRDBS-INIZCTEOSA-N 0 3 355.460 1.883 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173712207 258308064 /nfs/dbraw/zinc/30/80/64/258308064.db2.gz OBFPPJHNFRLRBD-INIZCTEOSA-N 0 3 357.414 1.914 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000180875265 258377150 /nfs/dbraw/zinc/37/71/50/258377150.db2.gz JXFUQHBYEQPRTR-INIZCTEOSA-N 0 3 373.413 1.064 20 5 FDBDHN Nc1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000183783868 258380355 /nfs/dbraw/zinc/38/03/55/258380355.db2.gz GOROXKCODDYAAO-INIZCTEOSA-N 0 3 370.409 1.674 20 5 FDBDHN COC(=O)c1cc(C)nc(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000553509733 543649171 /nfs/dbraw/zinc/64/91/71/543649171.db2.gz GKBMNWWVFBPCKC-RYUDHWBXSA-N 0 3 354.432 1.567 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCN(C)C)c1 ZINC000570612026 549343606 /nfs/dbraw/zinc/34/36/06/549343606.db2.gz IUVYICCIOQDWER-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN N[C@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000557297256 544275390 /nfs/dbraw/zinc/27/53/90/544275390.db2.gz CJJQPNULXHBXIO-MRXNPFEDSA-N 0 3 368.393 1.296 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000560325192 544956215 /nfs/dbraw/zinc/95/62/15/544956215.db2.gz MVRHPFXHBPMJSU-CQSZACIVSA-N 0 3 351.403 1.109 20 5 FDBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299656989 259014260 /nfs/dbraw/zinc/01/42/60/259014260.db2.gz GUCOPLQJSOCRPA-UHFFFAOYSA-N 0 3 358.398 1.347 20 5 FDBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)[C@@H](c2ccccc2)C1 ZINC000301101162 259021076 /nfs/dbraw/zinc/02/10/76/259021076.db2.gz LRTANSXHXZBSSL-MRXNPFEDSA-N 0 3 371.445 1.758 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301097294 259021184 /nfs/dbraw/zinc/02/11/84/259021184.db2.gz NESDGXNBKVFYII-ZDUSSCGKSA-N 0 3 368.459 1.568 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000331298380 259186523 /nfs/dbraw/zinc/18/65/23/259186523.db2.gz NZULWBJDLOERJL-CQSZACIVSA-N 0 3 370.475 1.208 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1C ZINC000331493076 259199789 /nfs/dbraw/zinc/19/97/89/259199789.db2.gz YLMBPDKVJMNTBR-ZIAGYGMSSA-N 0 3 362.430 1.644 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000364616329 259765604 /nfs/dbraw/zinc/76/56/04/259765604.db2.gz SDYLEUQFFFJEDF-UHFFFAOYSA-N 0 3 369.393 1.418 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2cc(Cl)cn2)CC1 ZINC000368002753 260121835 /nfs/dbraw/zinc/12/18/35/260121835.db2.gz SYRJOMQDLBWETB-UHFFFAOYSA-N 0 3 351.794 1.944 20 5 FDBDHN CC(C)CN1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000368062775 260130034 /nfs/dbraw/zinc/13/00/34/260130034.db2.gz SJFGGIYXAKTPJH-UHFFFAOYSA-N 0 3 356.448 1.410 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368595922 260206446 /nfs/dbraw/zinc/20/64/46/260206446.db2.gz UFPXYDYUFDXHDH-LRDDRELGSA-N 0 3 356.386 1.342 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C[C@@H]21 ZINC000370210293 260505199 /nfs/dbraw/zinc/50/51/99/260505199.db2.gz OYHCJBDFPGDUIS-CABZTGNLSA-N 0 3 369.219 1.919 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374282423 261103998 /nfs/dbraw/zinc/10/39/98/261103998.db2.gz GZZKZUOQSSBGNJ-GFCCVEGCSA-N 0 3 364.450 1.121 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCc2ccccc2)n1 ZINC000374526495 261148029 /nfs/dbraw/zinc/14/80/29/261148029.db2.gz IWXSLOBOFGMZFI-OAHLLOKOSA-N 0 3 357.414 1.765 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000375322049 261312889 /nfs/dbraw/zinc/31/28/89/261312889.db2.gz YRVYXLJAVCAIOW-ZDUSSCGKSA-N 0 3 360.374 1.471 20 5 FDBDHN COC(=O)CN1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000377946128 261920851 /nfs/dbraw/zinc/92/08/51/261920851.db2.gz BKVIATHCIFHZIT-UHFFFAOYSA-N 0 3 364.402 1.104 20 5 FDBDHN CC[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000043286362 521846734 /nfs/dbraw/zinc/84/67/34/521846734.db2.gz KPPJENIHLZJYCI-MRXNPFEDSA-N 0 3 357.414 1.744 20 5 FDBDHN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](C)N(C)C ZINC000056969312 521953920 /nfs/dbraw/zinc/95/39/20/521953920.db2.gz DUVMCFPZCYLAGC-MNOVXSKESA-N 0 3 372.447 1.106 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072066865 522149918 /nfs/dbraw/zinc/14/99/18/522149918.db2.gz SFWJNTSRVLVQIN-UHFFFAOYSA-N 0 3 351.403 1.940 20 5 FDBDHN CC(C)CN1CCO[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000058179102 522216311 /nfs/dbraw/zinc/21/63/11/522216311.db2.gz KVFKXDLRUDADCW-FUHWJXTLSA-N 0 3 367.446 1.281 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(CNC(=O)C2)C1 ZINC000072830089 522396699 /nfs/dbraw/zinc/39/66/99/522396699.db2.gz AYSHWDLGFOJOTK-SFHVURJKSA-N 0 3 360.414 1.834 20 5 FDBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074447212 522778469 /nfs/dbraw/zinc/77/84/69/522778469.db2.gz RRVIGFHHAMXMCX-OAHLLOKOSA-N 0 3 358.402 1.309 20 5 FDBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000075324938 522904776 /nfs/dbraw/zinc/90/47/76/522904776.db2.gz BGTHZZNINSIYSG-INIZCTEOSA-N 0 3 372.429 1.557 20 5 FDBDHN CC(C)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000052530060 523193123 /nfs/dbraw/zinc/19/31/23/523193123.db2.gz DFFSYMLJQGFHMH-UHFFFAOYSA-N 0 3 357.414 1.744 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467894 523795375 /nfs/dbraw/zinc/79/53/75/523795375.db2.gz ZBBNNXMZAVWTTC-OAHLLOKOSA-N 0 3 373.457 1.692 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173242365 524350786 /nfs/dbraw/zinc/35/07/86/524350786.db2.gz XSPYBGOCUXTRCK-AAEUAGOBSA-N 0 3 357.432 1.564 20 5 FDBDHN CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158232933 524427843 /nfs/dbraw/zinc/42/78/43/524427843.db2.gz WMOQXLMJOGHNQB-LBPRGKRZSA-N 0 3 360.336 2.000 20 5 FDBDHN Cc1c(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000150901522 524503939 /nfs/dbraw/zinc/50/39/39/524503939.db2.gz DOEFSRNPYNMGOK-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000122411647 524529918 /nfs/dbraw/zinc/52/99/18/524529918.db2.gz ICYDPCZOMNYIBK-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN CC(C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)S(C)(=O)=O ZINC000112790897 524569701 /nfs/dbraw/zinc/56/97/01/524569701.db2.gz GCRPDEYMJVXTEP-VIFPVBQESA-N 0 3 368.333 1.919 20 5 FDBDHN C[C@@H](CC1CCOCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015351 524575247 /nfs/dbraw/zinc/57/52/47/524575247.db2.gz MOTXTMMOKBKDBH-ZDUSSCGKSA-N 0 3 371.459 1.668 20 5 FDBDHN CCN1CCN(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917925 524593114 /nfs/dbraw/zinc/59/31/14/524593114.db2.gz BUTUUOBGTIYMPG-UHFFFAOYSA-N 0 3 363.462 1.541 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000112918396 524595535 /nfs/dbraw/zinc/59/55/35/524595535.db2.gz SXWDDPLOZBPMFZ-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN CC(C)c1ccc(CNC[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174489170 524601245 /nfs/dbraw/zinc/60/12/45/524601245.db2.gz LPUQVERZCNIPDA-GOSISDBHSA-N 0 3 351.447 1.891 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000151605522 524625414 /nfs/dbraw/zinc/62/54/14/524625414.db2.gz BDAWADOGUIIBLY-HNNXBMFYSA-N 0 3 352.822 1.991 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000151619270 524631277 /nfs/dbraw/zinc/63/12/77/524631277.db2.gz DUCHOULZDJHBEV-NSHDSACASA-N 0 3 364.431 1.047 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000151657510 524646413 /nfs/dbraw/zinc/64/64/13/524646413.db2.gz JKRHZYDRBAUTIO-GDBMZVCRSA-N 0 3 372.429 1.754 20 5 FDBDHN C[C@H]1CN(CC2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C[C@H](C)O1 ZINC000091478668 524714035 /nfs/dbraw/zinc/71/40/35/524714035.db2.gz LNKUDYOLWKIEDW-KBPBESRZSA-N 0 3 374.445 1.963 20 5 FDBDHN Cc1csc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174764029 524729450 /nfs/dbraw/zinc/72/94/50/524729450.db2.gz LRLNHNUXRVAUPZ-AWEZNQCLSA-N 0 3 351.432 1.797 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000160073503 524803024 /nfs/dbraw/zinc/80/30/24/524803024.db2.gz UWVHKCLBEKADML-GFCCVEGCSA-N 0 3 352.439 1.026 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642586 524844551 /nfs/dbraw/zinc/84/45/51/524844551.db2.gz SBEHAWTYWJLLRG-INIZCTEOSA-N 0 3 370.409 1.537 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000152460020 524893378 /nfs/dbraw/zinc/89/33/78/524893378.db2.gz ZUKFOALNWOZSRY-UHFFFAOYSA-N 0 3 350.419 1.867 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000124282794 524947320 /nfs/dbraw/zinc/94/73/20/524947320.db2.gz NBOAIPHUDBBBLN-UHFFFAOYSA-N 0 3 358.398 1.789 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115444036 524997187 /nfs/dbraw/zinc/99/71/87/524997187.db2.gz BYCFXJQCSYLPEI-KGLIPLIRSA-N 0 3 362.430 1.513 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000152849559 525027856 /nfs/dbraw/zinc/02/78/56/525027856.db2.gz RZAIZTZUGBZMRZ-OAQYLSRUSA-N 0 3 367.449 1.584 20 5 FDBDHN Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000161376014 525096139 /nfs/dbraw/zinc/09/61/39/525096139.db2.gz DCYVDRBSNRWDDK-INIZCTEOSA-N 0 3 371.441 1.999 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000116450241 525156067 /nfs/dbraw/zinc/15/60/67/525156067.db2.gz YTAIOBFHOKMRHB-LBPRGKRZSA-N 0 3 353.423 1.093 20 5 FDBDHN CC1(C)C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000178001213 525369158 /nfs/dbraw/zinc/36/91/58/525369158.db2.gz WDCNKTPSJSAUGY-AWEZNQCLSA-N 0 3 371.459 1.809 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000104102253 525391706 /nfs/dbraw/zinc/39/17/06/525391706.db2.gz FJXGUIMLPPCPHZ-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000163614461 525430645 /nfs/dbraw/zinc/43/06/45/525430645.db2.gz FEXAUWLOLDRPJY-UKRRQHHQSA-N 0 3 355.460 1.882 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187413 525622828 /nfs/dbraw/zinc/62/28/28/525622828.db2.gz TXWUBFZOXQXETN-GDBMZVCRSA-N 0 3 355.398 1.573 20 5 FDBDHN NC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000170674683 525673183 /nfs/dbraw/zinc/67/31/83/525673183.db2.gz QMELYLHPHWLRBI-SFHVURJKSA-N 0 3 354.410 1.986 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)ccn1 ZINC000155641306 525931061 /nfs/dbraw/zinc/93/10/61/525931061.db2.gz YHHYSGGQOJKYDY-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN CN1CCC[C@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000108590964 525996224 /nfs/dbraw/zinc/99/62/24/525996224.db2.gz OWJMXZDJGSPGDW-OAHLLOKOSA-N 0 3 361.446 1.768 20 5 FDBDHN COc1ccc(CN2CCC(C(=O)NCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000171656646 526063575 /nfs/dbraw/zinc/06/35/75/526063575.db2.gz DZHFKBMDPANSLE-UHFFFAOYSA-N 0 3 364.446 1.493 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CN1CCOCC1)c1ccccc1 ZINC000182123846 526064812 /nfs/dbraw/zinc/06/48/12/526064812.db2.gz HKIZPVSRZWIPBK-GOSISDBHSA-N 0 3 372.425 1.420 20 5 FDBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000156433603 526134191 /nfs/dbraw/zinc/13/41/91/526134191.db2.gz QOHJTMZOJCSKRQ-UHFFFAOYSA-N 0 3 353.448 1.799 20 5 FDBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000156433603 526134201 /nfs/dbraw/zinc/13/42/01/526134201.db2.gz QOHJTMZOJCSKRQ-UHFFFAOYSA-N 0 3 353.448 1.799 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCN(C2CC2)CC1 ZINC000171868032 526159704 /nfs/dbraw/zinc/15/97/04/526159704.db2.gz WYNGIEBUXWUKGC-UHFFFAOYSA-N 0 3 356.382 1.747 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000183049965 535910622 /nfs/dbraw/zinc/91/06/22/535910622.db2.gz LWYMIBFNFXMCMI-UHFFFAOYSA-N 0 3 374.441 1.720 20 5 FDBDHN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000183749895 536042749 /nfs/dbraw/zinc/04/27/49/536042749.db2.gz XBSLEFHKOORHLJ-MJGOQNOKSA-N 0 3 373.457 1.749 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000184305996 536129534 /nfs/dbraw/zinc/12/95/34/536129534.db2.gz HYRKAXCOXMMGBP-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184383945 536142705 /nfs/dbraw/zinc/14/27/05/536142705.db2.gz XRWZLXPEHGOPGS-KBPBESRZSA-N 0 3 366.437 1.980 20 5 FDBDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185846818 536219219 /nfs/dbraw/zinc/21/92/19/536219219.db2.gz SUPDPDMOKLOBJI-CQSZACIVSA-N 0 3 370.475 1.147 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246231664 536906475 /nfs/dbraw/zinc/90/64/75/536906475.db2.gz QWWOOWYHLMKBOW-DGCLKSJQSA-N 0 3 357.432 1.564 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000246501573 536967830 /nfs/dbraw/zinc/96/78/30/536967830.db2.gz XSPYBGOCUXTRCK-WCQYABFASA-N 0 3 357.432 1.564 20 5 FDBDHN CS(=O)(=O)N1CC(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000189707655 537084202 /nfs/dbraw/zinc/08/42/02/537084202.db2.gz SXLKUWLSNREDCQ-UHFFFAOYSA-N 0 3 365.411 1.836 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000248833880 537214844 /nfs/dbraw/zinc/21/48/44/537214844.db2.gz MWKKRIAAGHTUBF-RHSMWYFYSA-N 0 3 357.414 1.818 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000276375015 537459576 /nfs/dbraw/zinc/45/95/76/537459576.db2.gz PDCSSUVQIRGQKF-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN CSC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000290905606 537462272 /nfs/dbraw/zinc/46/22/72/537462272.db2.gz OKOBRCWZSGMIBO-UHFFFAOYSA-N 0 3 359.473 1.748 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000273930035 537515461 /nfs/dbraw/zinc/51/54/61/537515461.db2.gz CEWRZWHINISASI-RYUDHWBXSA-N 0 3 350.375 1.176 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000276455012 537523428 /nfs/dbraw/zinc/52/34/28/537523428.db2.gz VBUOQMUUEIHELQ-XNRPHZJLSA-N 0 3 352.387 1.466 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000324774257 537620511 /nfs/dbraw/zinc/62/05/11/537620511.db2.gz DOFZRDJFMHZFQE-NSHDSACASA-N 0 3 355.416 1.556 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000326801555 537631374 /nfs/dbraw/zinc/63/13/74/537631374.db2.gz CIZGHUQJCUSJQJ-LLVKDONJSA-N 0 3 371.415 1.002 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000294011926 537641130 /nfs/dbraw/zinc/64/11/30/537641130.db2.gz YFIUQQPRBAYCJN-KRWDZBQOSA-N 0 3 350.394 1.968 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000298516028 537722657 /nfs/dbraw/zinc/72/26/57/537722657.db2.gz ZGIOFHTWPMZNTP-QWHCGFSZSA-N 0 3 355.416 1.509 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000366600704 537794457 /nfs/dbraw/zinc/79/44/57/537794457.db2.gz PLSFPCHDOPXDRX-GFCCVEGCSA-N 0 3 357.407 1.479 20 5 FDBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN(Cc2ccccc2)C1 ZINC000405996579 537811459 /nfs/dbraw/zinc/81/14/59/537811459.db2.gz CPRKDOZCFUUGKO-SFHVURJKSA-N 0 3 355.398 1.966 20 5 FDBDHN Cc1cc(S(=O)(=O)NCC2CCN(CCO)CC2)c(C)cc1[N+](=O)[O-] ZINC000416462854 537849276 /nfs/dbraw/zinc/84/92/76/537849276.db2.gz SUNMZMUZWMLOPL-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN COc1ccc2c(c1)[C@H](C)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000366769149 537853139 /nfs/dbraw/zinc/85/31/39/537853139.db2.gz LZNTXYBVONRHDA-CJNGLKHVSA-N 0 3 360.414 1.823 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000416559848 537884461 /nfs/dbraw/zinc/88/44/61/537884461.db2.gz KQZCYMDONRIZLG-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419010289 537893842 /nfs/dbraw/zinc/89/38/42/537893842.db2.gz PHIKLKPYKYWMMR-NSHDSACASA-N 0 3 364.402 1.392 20 5 FDBDHN O=C1[C@@H](N[C@H]2CCC(=O)N[C@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367055292 537926923 /nfs/dbraw/zinc/92/69/23/537926923.db2.gz OYWUNPORIXYBMA-ZOBUZTSGSA-N 0 3 358.398 1.347 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367447202 537960088 /nfs/dbraw/zinc/96/00/88/537960088.db2.gz JXHKYRWXNWSFJS-KDOFPFPSSA-N 0 3 358.398 1.131 20 5 FDBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419389019 538056783 /nfs/dbraw/zinc/05/67/83/538056783.db2.gz FGYWGLPQJYMEQM-GDBMZVCRSA-N 0 3 361.402 1.399 20 5 FDBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCCCN1CCN(CCO)CC1 ZINC000450330527 538121838 /nfs/dbraw/zinc/12/18/38/538121838.db2.gz JECSAKXGEQEMHY-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000444161134 538123589 /nfs/dbraw/zinc/12/35/89/538123589.db2.gz YREIGRIISSKYHI-WMLDXEAASA-N 0 3 351.403 1.752 20 5 FDBDHN C[C@@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCO1 ZINC000432863989 538182515 /nfs/dbraw/zinc/18/25/15/538182515.db2.gz GCAKBUAXXCNINE-GFCCVEGCSA-N 0 3 372.447 1.155 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000433759066 538270538 /nfs/dbraw/zinc/27/05/38/538270538.db2.gz NJWMJEUSTOJBMZ-UHFFFAOYSA-N 0 3 365.434 1.816 20 5 FDBDHN CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000446904289 538328395 /nfs/dbraw/zinc/32/83/95/538328395.db2.gz KMJDJYUQPIIXFV-CYBMUJFWSA-N 0 3 358.402 1.849 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000429096443 538333755 /nfs/dbraw/zinc/33/37/55/538333755.db2.gz DIORQPOKOSFVGM-KBPBESRZSA-N 0 3 360.418 1.643 20 5 FDBDHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000486625997 538539294 /nfs/dbraw/zinc/53/92/94/538539294.db2.gz JYWMNSATPONEDZ-ZDUSSCGKSA-N 0 3 371.397 1.873 20 5 FDBDHN COc1cnccc1N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000483222787 538694013 /nfs/dbraw/zinc/69/40/13/538694013.db2.gz BXDGBZBMNLUZMC-UHFFFAOYSA-N 0 3 371.397 1.420 20 5 FDBDHN NC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000479188001 538791081 /nfs/dbraw/zinc/79/10/81/538791081.db2.gz CIHLJYLGIGMVRJ-HOCLYGCPSA-N 0 3 373.388 1.884 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000469859582 538816775 /nfs/dbraw/zinc/81/67/75/538816775.db2.gz PFEQRFGHCLFCMF-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000498326808 538824517 /nfs/dbraw/zinc/82/45/17/538824517.db2.gz UOUNJTBXRNKKIJ-UHFFFAOYSA-N 0 3 365.430 1.933 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000474346011 538835311 /nfs/dbraw/zinc/83/53/11/538835311.db2.gz CFDDOFHYWCBSOJ-WBVHZDCISA-N 0 3 352.387 1.787 20 5 FDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000489740319 538838241 /nfs/dbraw/zinc/83/82/41/538838241.db2.gz FTEGZXLMNCBFGF-GUTXKFCHSA-N 0 3 350.423 1.163 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000561999876 546006216 /nfs/dbraw/zinc/00/62/16/546006216.db2.gz BUBMLXVIJSQSSG-HIFRSBDPSA-N 0 3 374.441 1.685 20 5 FDBDHN O=C(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000562988489 546342978 /nfs/dbraw/zinc/34/29/78/546342978.db2.gz WXPLCWVLBKUDSU-INIZCTEOSA-N 0 3 365.430 1.717 20 5 FDBDHN O=C([C@@H]1CNCc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563097456 546402651 /nfs/dbraw/zinc/40/26/51/546402651.db2.gz RGOQQDQLHIODSF-MRXNPFEDSA-N 0 3 355.398 1.842 20 5 FDBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563137298 546420006 /nfs/dbraw/zinc/42/00/06/546420006.db2.gz CVCNLPMWDUDEFR-SWLSCSKDSA-N 0 3 353.419 1.671 20 5 FDBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000563605759 546610508 /nfs/dbraw/zinc/61/05/08/546610508.db2.gz WBOWXXQBTYAMSJ-UHFFFAOYSA-N 0 3 370.409 1.747 20 5 FDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000565221976 547261648 /nfs/dbraw/zinc/26/16/48/547261648.db2.gz MDLJCEYABOGEEF-CQSZACIVSA-N 0 3 351.451 2.215 20 5 FDBDHN Cc1ccc(CNC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000567020154 547966367 /nfs/dbraw/zinc/96/63/67/547966367.db2.gz GGJHPEWBFROGTQ-HNNXBMFYSA-N 0 3 370.475 1.654 20 5 FDBDHN O=C1NCCc2ccc(CNC[C@H](O)COc3cccc([N+](=O)[O-])c3)cc21 ZINC000568503164 548563252 /nfs/dbraw/zinc/56/32/52/548563252.db2.gz BORUIJHWQMCCEI-INIZCTEOSA-N 0 3 371.393 1.410 20 5 FDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000569993452 549122570 /nfs/dbraw/zinc/12/25/70/549122570.db2.gz SGHMJDPHPNUSHS-ZENOOKHLSA-N 0 3 360.414 1.722 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000570547472 549319624 /nfs/dbraw/zinc/31/96/24/549319624.db2.gz FRKFHXSUCZQZNH-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627960 549712231 /nfs/dbraw/zinc/71/22/31/549712231.db2.gz LWXPYXMXWAZLSS-DOTOQJQBSA-N 0 3 374.441 1.463 20 5 FDBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000572526777 549935303 /nfs/dbraw/zinc/93/53/03/549935303.db2.gz MAGUBQSYZKYYRJ-CQSZACIVSA-N 0 3 374.397 1.870 20 5 FDBDHN N[C@H]1C[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CCN2C1=O ZINC000573220643 550090720 /nfs/dbraw/zinc/09/07/20/550090720.db2.gz ITOJKKJUGDIMOF-OLZOCXBDSA-N 0 3 359.411 1.467 20 5 FDBDHN O=C([C@H]1CCCCN1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000573445926 550139565 /nfs/dbraw/zinc/13/95/65/550139565.db2.gz AMNGFEGCFUILTK-OAHLLOKOSA-N 0 3 372.429 1.652 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000574191152 550273770 /nfs/dbraw/zinc/27/37/70/550273770.db2.gz NWNRZLBIHBAZLV-LBPRGKRZSA-N 0 3 373.359 1.678 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000577371562 550649317 /nfs/dbraw/zinc/64/93/17/550649317.db2.gz CTEULNCKPGHUFT-SFHVURJKSA-N 0 3 356.382 1.330 20 5 FDBDHN O=C(CCN[C@H](CO)CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000577492562 550662463 /nfs/dbraw/zinc/66/24/63/550662463.db2.gz KSSQSJLPUZUKKK-AWEZNQCLSA-N 0 3 350.419 1.360 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000578201574 550738772 /nfs/dbraw/zinc/73/87/72/550738772.db2.gz AKZJHNCBSFGXNH-SWLSCSKDSA-N 0 3 374.376 1.828 20 5 FDBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000578350082 550755204 /nfs/dbraw/zinc/75/52/04/550755204.db2.gz DNRDBFQKFHJSQY-DOMZBBRYSA-N 0 3 364.402 1.149 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000578368437 550757315 /nfs/dbraw/zinc/75/73/15/550757315.db2.gz QDMYYQJCOPYSEB-CZUORRHYSA-N 0 3 353.444 1.986 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000579732488 550904785 /nfs/dbraw/zinc/90/47/85/550904785.db2.gz VJYIXPVUUNEJIT-SWLSCSKDSA-N 0 3 357.414 2.453 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000580463084 550985247 /nfs/dbraw/zinc/98/52/47/550985247.db2.gz DFTVPDPQDNUPHX-UHFFFAOYSA-N 0 3 373.413 1.485 20 5 FDBDHN Cc1ccccc1C[C@@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580646371 551004419 /nfs/dbraw/zinc/00/44/19/551004419.db2.gz HAZNGSAHOMSNTR-FUHWJXTLSA-N 0 3 360.410 1.836 20 5 FDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000581067064 551048288 /nfs/dbraw/zinc/04/82/88/551048288.db2.gz UCRYPYBJXAOSPL-IJEWVQPXSA-N 0 3 365.430 1.714 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC(N3CN=NC3=O)CC2)cccc1[N+](=O)[O-] ZINC000582353664 551211323 /nfs/dbraw/zinc/21/13/23/551211323.db2.gz BBWOCNDSJMFVAK-UHFFFAOYSA-N 0 3 374.401 1.866 20 5 FDBDHN CC(C)Oc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583272820 551328890 /nfs/dbraw/zinc/32/88/90/551328890.db2.gz WKAKNIOUYXNGQB-GOSISDBHSA-N 0 3 363.414 1.569 20 5 FDBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O ZINC000583694140 551388767 /nfs/dbraw/zinc/38/87/67/551388767.db2.gz XFRBAQNGZDKRLW-JKSUJKDBSA-N 0 3 356.444 1.899 20 5 FDBDHN CN(C)CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000589196185 551716745 /nfs/dbraw/zinc/71/67/45/551716745.db2.gz IYSZXLSJDDJQFJ-OAHLLOKOSA-N 0 3 365.430 1.909 20 5 FDBDHN O=C(CNc1ncnc2ccc([N+](=O)[O-])cc21)NCCN1CCCCCC1 ZINC000590062583 551758548 /nfs/dbraw/zinc/75/85/48/551758548.db2.gz LZJFUJOASIKFIA-UHFFFAOYSA-N 0 3 372.429 1.942 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590279924 551769466 /nfs/dbraw/zinc/76/94/66/551769466.db2.gz DZBQMBHCBYUBSA-RISCZKNCSA-N 0 3 362.386 1.095 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590338192 551774831 /nfs/dbraw/zinc/77/48/31/551774831.db2.gz WUFHIVAJPUOKFM-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)[C@H]2C1 ZINC000590442870 551784724 /nfs/dbraw/zinc/78/47/24/551784724.db2.gz HOBAHEWYJHVXMQ-MFKMUULPSA-N 0 3 374.426 1.640 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000590549690 551790863 /nfs/dbraw/zinc/79/08/63/551790863.db2.gz NTLYLDFBNBQPLH-GJZGRUSLSA-N 0 3 363.414 1.340 20 5 FDBDHN COc1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000591311018 551860623 /nfs/dbraw/zinc/86/06/23/551860623.db2.gz ZYBXWMHUCWYIBL-UHFFFAOYSA-N 0 3 357.370 1.966 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592105079 551942657 /nfs/dbraw/zinc/94/26/57/551942657.db2.gz XSKXKNZBPWJHQL-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN CCO[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592168609 551952745 /nfs/dbraw/zinc/95/27/45/551952745.db2.gz SRROKFFCSCNCSY-MIGQKNRLSA-N 0 3 356.444 1.833 20 5 FDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1c1ccccc1 ZINC000592334791 551981303 /nfs/dbraw/zinc/98/13/03/551981303.db2.gz GBHMRPBNRUGDDR-JKSUJKDBSA-N 0 3 369.377 1.933 20 5 FDBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCNC2CC2)c1 ZINC000592367116 551984940 /nfs/dbraw/zinc/98/49/40/551984940.db2.gz USGSEYNAVXIKHM-UHFFFAOYSA-N 0 3 364.221 1.388 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592873665 552037773 /nfs/dbraw/zinc/03/77/73/552037773.db2.gz QFORWXJAGPTGKP-GFCCVEGCSA-N 0 3 373.413 1.197 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592879274 552038243 /nfs/dbraw/zinc/03/82/43/552038243.db2.gz KAURUAKGXJXUFB-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN COc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000592898886 552040714 /nfs/dbraw/zinc/04/07/14/552040714.db2.gz MSOBGAKCNNJPCC-UHFFFAOYSA-N 0 3 363.414 1.849 20 5 FDBDHN O=C([C@H]1CNCCC1(F)F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592964067 552050139 /nfs/dbraw/zinc/05/01/39/552050139.db2.gz DVERCQDIMOXSJV-ZYHUDNBSSA-N 0 3 355.345 1.247 20 5 FDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593067022 552057890 /nfs/dbraw/zinc/05/78/90/552057890.db2.gz RLTBYANKSLFHGL-CHWSQXEVSA-N 0 3 353.375 1.014 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)n1 ZINC000593069814 552058068 /nfs/dbraw/zinc/05/80/68/552058068.db2.gz VFAWVZAPSLKKKS-QZTJIDSGSA-N 0 3 371.441 1.767 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593166187 552069085 /nfs/dbraw/zinc/06/90/85/552069085.db2.gz NYLAZOMYPALMIT-JKSUJKDBSA-N 0 3 351.378 1.598 20 5 FDBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCCC1 ZINC000593532035 552124836 /nfs/dbraw/zinc/12/48/36/552124836.db2.gz RZFKAJWUHPRSJL-UHFFFAOYSA-N 0 3 356.448 1.923 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)nc1 ZINC000593535288 552125595 /nfs/dbraw/zinc/12/55/95/552125595.db2.gz WJFQSODUIPMATL-UHFFFAOYSA-N 0 3 354.432 1.629 20 5 FDBDHN CCC(C)(C)N1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000594594017 552338965 /nfs/dbraw/zinc/33/89/65/552338965.db2.gz HXPSBSJRWCOTIQ-UHFFFAOYSA-N 0 3 370.475 1.814 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCN(C(C)=O)CC1 ZINC000595007260 552436787 /nfs/dbraw/zinc/43/67/87/552436787.db2.gz LLFDVKSDXJHONF-CYBMUJFWSA-N 0 3 350.419 1.418 20 5 FDBDHN COC1([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000595015474 552437547 /nfs/dbraw/zinc/43/75/47/552437547.db2.gz NWGVQGMTEAUDOP-LBPRGKRZSA-N 0 3 357.432 1.420 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595108016 552453079 /nfs/dbraw/zinc/45/30/79/552453079.db2.gz YSNRHJOSUVJPHL-LBPRGKRZSA-N 0 3 369.443 1.869 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595192426 552484762 /nfs/dbraw/zinc/48/47/62/552484762.db2.gz HKHUHCKKGDFYJP-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257586 552506687 /nfs/dbraw/zinc/50/66/87/552506687.db2.gz LWVKQRGCAIONBK-HNNXBMFYSA-N 0 3 358.354 1.056 20 5 FDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1COCCO1 ZINC000595738743 552609316 /nfs/dbraw/zinc/60/93/16/552609316.db2.gz XYHOKLOFOUTJFX-ZDUSSCGKSA-N 0 3 351.359 1.240 20 5 FDBDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595823940 552620274 /nfs/dbraw/zinc/62/02/74/552620274.db2.gz VMUHIYBWULZVID-OAHLLOKOSA-N 0 3 363.418 1.611 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000595939834 552635787 /nfs/dbraw/zinc/63/57/87/552635787.db2.gz MFXIPYSCCBBRSB-UHFFFAOYSA-N 0 3 372.425 1.554 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000595949054 552637314 /nfs/dbraw/zinc/63/73/14/552637314.db2.gz VBQNUSWGHHHYKD-UHFFFAOYSA-N 0 3 360.374 1.058 20 5 FDBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000596049531 552649814 /nfs/dbraw/zinc/64/98/14/552649814.db2.gz FNFKNXSYFXKRFM-NSHDSACASA-N 0 3 355.338 1.722 20 5 FDBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCOC4(CNC4)C3)cc2[N+](=O)[O-])C1 ZINC000596097372 552654802 /nfs/dbraw/zinc/65/48/02/552654802.db2.gz IRDJOSANSJEFQX-CQSZACIVSA-N 0 3 374.441 1.646 20 5 FDBDHN O=c1[nH]ccc(NCCCCN2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000596106458 552655774 /nfs/dbraw/zinc/65/57/74/552655774.db2.gz CXXOXWFTIGLSPC-UHFFFAOYSA-N 0 3 373.417 1.500 20 5 FDBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596148777 552660023 /nfs/dbraw/zinc/66/00/23/552660023.db2.gz MFNUJFRFWURXEB-UHFFFAOYSA-N 0 3 350.419 1.995 20 5 FDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1N1CCCC1 ZINC000596195591 552663757 /nfs/dbraw/zinc/66/37/57/552663757.db2.gz NVEABIJCVIDJFO-LSDHHAIUSA-N 0 3 350.444 1.710 20 5 FDBDHN COc1cc(N2CCN(CCN(C)C)C(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596291638 552671752 /nfs/dbraw/zinc/67/17/52/552671752.db2.gz ZNQFSEZRHSNGRO-UHFFFAOYSA-N 0 3 356.810 1.467 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596469252 552682122 /nfs/dbraw/zinc/68/21/22/552682122.db2.gz VWPAKFOIKRLVNL-UHFFFAOYSA-N 0 3 371.825 1.732 20 5 FDBDHN Nc1c(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090616 552745307 /nfs/dbraw/zinc/74/53/07/552745307.db2.gz PDXYFQJGDWCLTM-VHSXEESVSA-N 0 3 355.782 1.113 20 5 FDBDHN Cc1cc(OCC(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597574907 552806876 /nfs/dbraw/zinc/80/68/76/552806876.db2.gz UGOWDAWCVTTWRM-KRWDZBQOSA-N 0 3 351.403 1.197 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597696114 552823210 /nfs/dbraw/zinc/82/32/10/552823210.db2.gz VGKRAXSPGMJROB-ZBFHGGJFSA-N 0 3 363.414 1.685 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858778 552841620 /nfs/dbraw/zinc/84/16/20/552841620.db2.gz OYVIDTGSTARJMZ-QWHCGFSZSA-N 0 3 366.466 1.816 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCC[C@@H](C)N(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000597999176 552855224 /nfs/dbraw/zinc/85/52/24/552855224.db2.gz QVSAQEXIRDWWST-GFCCVEGCSA-N 0 3 373.413 1.519 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598184542 552873490 /nfs/dbraw/zinc/87/34/90/552873490.db2.gz DOIFVXBUBCBWLB-UHFFFAOYSA-N 0 3 361.402 1.168 20 5 FDBDHN CCCN1CC[C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598342566 552887475 /nfs/dbraw/zinc/88/74/75/552887475.db2.gz KTUQJPNEEDOGAE-LBPRGKRZSA-N 0 3 366.443 1.386 20 5 FDBDHN CC(C)c1[n-]nc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453673 552897582 /nfs/dbraw/zinc/89/75/82/552897582.db2.gz STJPVSZLNYFNPU-LBPRGKRZSA-N 0 3 351.407 1.113 20 5 FDBDHN CC(C)c1[n-]nc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453673 552897583 /nfs/dbraw/zinc/89/75/83/552897583.db2.gz STJPVSZLNYFNPU-LBPRGKRZSA-N 0 3 351.407 1.113 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCCN3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598629660 552918242 /nfs/dbraw/zinc/91/82/42/552918242.db2.gz ANHKJBYZWXJBHB-KGLIPLIRSA-N 0 3 362.434 1.650 20 5 FDBDHN CC(C)(C)N1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598632682 552918572 /nfs/dbraw/zinc/91/85/72/552918572.db2.gz CLEIBIDZJQJGIT-GFCCVEGCSA-N 0 3 350.423 1.506 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598893690 552940305 /nfs/dbraw/zinc/94/03/05/552940305.db2.gz CECMWGOVCWZIRE-CYBMUJFWSA-N 0 3 363.418 1.564 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000598900332 552941378 /nfs/dbraw/zinc/94/13/78/552941378.db2.gz KGKVKADXYYXJCX-WCQYABFASA-N 0 3 361.402 1.458 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000598902580 552942033 /nfs/dbraw/zinc/94/20/33/552942033.db2.gz PESHHBDJEPENQX-WFASDCNBSA-N 0 3 361.402 1.269 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599761299 553140551 /nfs/dbraw/zinc/14/05/51/553140551.db2.gz YFMCGROSECZNFE-CYBMUJFWSA-N 0 3 358.192 1.154 20 5 FDBDHN COc1cc(CNC[C@H]2COCCN2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600773341 553313701 /nfs/dbraw/zinc/31/37/01/553313701.db2.gz GYQLWJNZYQWKNJ-NSHDSACASA-N 0 3 361.345 1.325 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601035592 553342142 /nfs/dbraw/zinc/34/21/42/553342142.db2.gz ICLJUOFMCALPRT-UHFFFAOYSA-N 0 3 364.377 1.114 20 5 FDBDHN COCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601110698 553348231 /nfs/dbraw/zinc/34/82/31/553348231.db2.gz KUPNGDNDLRAVEF-VIFPVBQESA-N 0 3 351.329 1.870 20 5 FDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000601421916 553401557 /nfs/dbraw/zinc/40/15/57/553401557.db2.gz NAFWNCSIBWIBDI-FZMZJTMJSA-N 0 3 364.427 1.856 20 5 FDBDHN CS(=O)(=O)N1CC(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602622627 553612970 /nfs/dbraw/zinc/61/29/70/553612970.db2.gz BDWFSCWQMFFQKK-UHFFFAOYSA-N 0 3 367.349 1.595 20 5 FDBDHN COC(=O)COc1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602817467 553643567 /nfs/dbraw/zinc/64/35/67/553643567.db2.gz KPHIYBCJBJSTFR-UHFFFAOYSA-N 0 3 362.386 1.784 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000603279178 553752194 /nfs/dbraw/zinc/75/21/94/553752194.db2.gz PBPYCGAFNFKORA-OLZOCXBDSA-N 0 3 373.461 1.682 20 5 FDBDHN CN1CCCN(CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603402458 553780471 /nfs/dbraw/zinc/78/04/71/553780471.db2.gz JQEIXRVDZULPDS-UHFFFAOYSA-N 0 3 370.475 1.042 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000604533358 553884989 /nfs/dbraw/zinc/88/49/89/553884989.db2.gz CLZODKBLQBMUIN-OAHLLOKOSA-N 0 3 365.434 1.203 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000608948644 554330160 /nfs/dbraw/zinc/33/01/60/554330160.db2.gz YRYBBUQXDFFAHE-UHFFFAOYSA-N 0 3 373.413 1.155 20 5 FDBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000609166721 554345546 /nfs/dbraw/zinc/34/55/46/554345546.db2.gz KBZPJUIBEWRGMC-UHFFFAOYSA-N 0 3 364.446 1.727 20 5 FDBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000609696131 554412856 /nfs/dbraw/zinc/41/28/56/554412856.db2.gz HFQLEURVOSTWLZ-ZDUSSCGKSA-N 0 3 358.402 1.528 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000609841130 554427902 /nfs/dbraw/zinc/42/79/02/554427902.db2.gz CCDLGHLGNDCLTI-JSGCOSHPSA-N 0 3 366.466 1.675 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)N1CCCC1 ZINC000610427638 554504153 /nfs/dbraw/zinc/50/41/53/554504153.db2.gz AEKNVCLKPCWRGW-AAEUAGOBSA-N 0 3 352.439 1.428 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)C1 ZINC000611196119 554614243 /nfs/dbraw/zinc/61/42/43/554614243.db2.gz PGQINEYHJGKPGR-CQSZACIVSA-N 0 3 371.441 1.928 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611248106 554619393 /nfs/dbraw/zinc/61/93/93/554619393.db2.gz VALFAJZAWSRCKI-GFCCVEGCSA-N 0 3 359.448 1.926 20 5 FDBDHN CC(C)OCCN1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525969 554641896 /nfs/dbraw/zinc/64/18/96/554641896.db2.gz VEWSDOCPTYCVJO-UHFFFAOYSA-N 0 3 352.435 1.971 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611710880 554670047 /nfs/dbraw/zinc/67/00/47/554670047.db2.gz FYYXAWPHQMXMQP-MRXNPFEDSA-N 0 3 370.413 1.281 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000614678870 555095890 /nfs/dbraw/zinc/09/58/90/555095890.db2.gz QGGBAMVIJPLSMZ-LJQANCHMSA-N 0 3 372.425 1.642 20 5 FDBDHN COC(=O)COc1ccc(CNCC2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000616092889 555270372 /nfs/dbraw/zinc/27/03/72/555270372.db2.gz LHKFAEZVNXJATQ-UHFFFAOYSA-N 0 3 368.386 1.432 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000619476853 555783713 /nfs/dbraw/zinc/78/37/13/555783713.db2.gz SXMVRCXWUZJYHY-RYUDHWBXSA-N 0 3 355.416 1.509 20 5 FDBDHN COCCN1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272523588 674454136 /nfs/dbraw/zinc/45/41/36/674454136.db2.gz LPWKFDFJTWFBBV-UHFFFAOYSA-N 0 3 357.357 1.914 20 5 FDBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272848134 674480840 /nfs/dbraw/zinc/48/08/40/674480840.db2.gz OCJXORMLODUWRZ-BDJLRTHQSA-N 0 3 365.411 1.626 20 5 FDBDHN NS(=O)(=O)c1cccc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277503664 674956356 /nfs/dbraw/zinc/95/63/56/674956356.db2.gz SZQAZOOLLFVNTI-GFCCVEGCSA-N 0 3 354.432 1.671 20 5 FDBDHN COc1cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000277844478 675052073 /nfs/dbraw/zinc/05/20/73/675052073.db2.gz MDHODYVCINKGQA-CYBMUJFWSA-N 0 3 353.419 1.900 20 5 FDBDHN COc1cc(CNCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000277844478 675052077 /nfs/dbraw/zinc/05/20/77/675052077.db2.gz MDHODYVCINKGQA-CYBMUJFWSA-N 0 3 353.419 1.900 20 5 FDBDHN CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000195270080 672401598 /nfs/dbraw/zinc/40/15/98/672401598.db2.gz YKDYQMJJSSEAGK-UHFFFAOYSA-N 0 3 350.419 1.479 20 5 FDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262486438 672797405 /nfs/dbraw/zinc/79/74/05/672797405.db2.gz SQCWPNKCAHHMSM-MRVPVSSYSA-N 0 3 366.237 1.634 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292102971 676283554 /nfs/dbraw/zinc/28/35/54/676283554.db2.gz UOHGCHVCZCAFRC-MRXNPFEDSA-N 0 3 353.444 1.874 20 5 FDBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000292228435 676290641 /nfs/dbraw/zinc/29/06/41/676290641.db2.gz IQCZYKXTRJCXPL-LBPRGKRZSA-N 0 3 368.459 1.553 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301801562 676540418 /nfs/dbraw/zinc/54/04/18/676540418.db2.gz CLGKEUCFGWQTDE-NSHDSACASA-N 0 3 364.431 1.223 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000327885816 676596087 /nfs/dbraw/zinc/59/60/87/676596087.db2.gz DNFVHXPICGQHDR-NSHDSACASA-N 0 3 373.431 1.388 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000362020215 676906191 /nfs/dbraw/zinc/90/61/91/676906191.db2.gz GUUWDNWONKIYFF-YGRLFVJLSA-N 0 3 366.805 1.739 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Sc3ccccn3)CC2)c1 ZINC000363645005 676966870 /nfs/dbraw/zinc/96/68/70/676966870.db2.gz LTIKIHSDBDVPLW-CQSZACIVSA-N 0 3 363.443 1.804 20 5 FDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000376356296 678284777 /nfs/dbraw/zinc/28/47/77/678284777.db2.gz YLHAKBNDWNDZSJ-BBRMVZONSA-N 0 3 353.444 1.983 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422945134 680767338 /nfs/dbraw/zinc/76/73/38/680767338.db2.gz MPAGFGDMUIWBME-LLVKDONJSA-N 0 3 365.415 1.031 20 5 FDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416382539 679597316 /nfs/dbraw/zinc/59/73/16/679597316.db2.gz APJRPALFXXBFJK-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN CC(C)NS(=O)(=O)NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325450 679757849 /nfs/dbraw/zinc/75/78/49/679757849.db2.gz DYIMBYASALMSQK-INIZCTEOSA-N 0 3 370.475 1.784 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000420978938 680583847 /nfs/dbraw/zinc/58/38/47/680583847.db2.gz XXKWUIGGOHGJLL-UHFFFAOYSA-N 0 3 357.432 1.232 20 5 FDBDHN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H](O)CN1CCc2ccccc2C1 ZINC000474658373 685440469 /nfs/dbraw/zinc/44/04/69/685440469.db2.gz OQKNDYIQWWFQEL-OAHLLOKOSA-N 0 3 363.801 1.829 20 5 FDBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449420727 682680715 /nfs/dbraw/zinc/68/07/15/682680715.db2.gz KDZIONBWPKHLRI-UONOGXRCSA-N 0 3 352.387 1.739 20 5 FDBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449420728 682681065 /nfs/dbraw/zinc/68/10/65/682681065.db2.gz KDZIONBWPKHLRI-ZIAGYGMSSA-N 0 3 352.387 1.739 20 5 FDBDHN COc1ccc(NC(=O)N2CCCN([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000470418227 685029278 /nfs/dbraw/zinc/02/92/78/685029278.db2.gz KHDJHYNHQBZZOW-GFCCVEGCSA-N 0 3 352.391 1.524 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470819482 685076203 /nfs/dbraw/zinc/07/62/03/685076203.db2.gz GZXKKYVWWYKDLZ-STQMWFEESA-N 0 3 368.438 1.792 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000511106083 689468777 /nfs/dbraw/zinc/46/87/77/689468777.db2.gz KMTDLQRDIOPURD-UXLLHSPISA-N 0 3 351.447 1.539 20 5 FDBDHN CCN(CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000516171378 689924259 /nfs/dbraw/zinc/92/42/59/689924259.db2.gz NBLMMQFUBRLDIW-GFCCVEGCSA-N 0 3 359.448 1.503 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000520396810 690316928 /nfs/dbraw/zinc/31/69/28/690316928.db2.gz MULMEYJSZNBXEJ-HZPDHXFCSA-N 0 3 353.444 1.585 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000523659592 694537270 /nfs/dbraw/zinc/53/72/70/694537270.db2.gz JOBKEDIKQQUTKA-NEPJUHHUSA-N 0 3 350.375 1.003 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000532015118 694860273 /nfs/dbraw/zinc/86/02/73/694860273.db2.gz QQGHPJIFSKXSOX-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164619090 719131452 /nfs/dbraw/zinc/13/14/52/719131452.db2.gz BYKYBPZHBAPIFA-VIFPVBQESA-N 0 3 350.709 1.139 20 5 FDBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164868343 721048172 /nfs/dbraw/zinc/04/81/72/721048172.db2.gz NYLRFCVWCPEQTN-SJORKVTESA-N 0 3 355.398 1.865 20 5 FDBDHN Cn1nccc1[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000511113992 782714766 /nfs/dbraw/zinc/71/47/66/782714766.db2.gz FRCPTXMJHHHCST-HOCLYGCPSA-N 0 3 360.414 1.948 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000377098506 791064564 /nfs/dbraw/zinc/06/45/64/791064564.db2.gz IMIAJYXVZHPXPC-BBRMVZONSA-N 0 3 357.414 1.879 20 5 FDBDHN COc1cc(CCNC(=O)N2CCN[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000416893793 794770690 /nfs/dbraw/zinc/77/06/90/794770690.db2.gz CIWGEIJQQQPZBC-VXGBXAGGSA-N 0 3 366.418 1.546 20 5 FDBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000500416212 796110723 /nfs/dbraw/zinc/11/07/23/796110723.db2.gz UIQYAEHUFFJSAI-OAHLLOKOSA-N 0 3 374.401 1.148 20 5 FDBDHN C[C@](O)(C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778609 803612214 /nfs/dbraw/zinc/61/22/14/803612214.db2.gz IRDYEODODRFAMA-QRTARXTBSA-N 0 3 350.419 1.388 20 5 FDBDHN C[C@](O)(C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778607 803612269 /nfs/dbraw/zinc/61/22/69/803612269.db2.gz IRDYEODODRFAMA-KMFMINBZSA-N 0 3 350.419 1.388 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CCC3(O)CCC3)C2)nc1 ZINC001167778757 803658629 /nfs/dbraw/zinc/65/86/29/803658629.db2.gz KCGGAHJLEAJTEC-UKRRQHHQSA-N 0 3 350.419 1.532 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517518 810888326 /nfs/dbraw/zinc/88/83/26/810888326.db2.gz ATWZGMPWRIAFON-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN COC1([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000421024620 813923719 /nfs/dbraw/zinc/92/37/19/813923719.db2.gz CLJZEOVUKBZMFX-ZDUSSCGKSA-N 0 3 363.414 1.658 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000421712861 814274108 /nfs/dbraw/zinc/27/41/08/814274108.db2.gz RNFYRGUWNNBSNI-CQSZACIVSA-N 0 3 362.430 1.598 20 5 FDBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000436720352 816681470 /nfs/dbraw/zinc/68/14/70/816681470.db2.gz IZLBIMVAHOUYPL-HNNXBMFYSA-N 0 3 370.409 1.666 20 5 FDBDHN CN(CCO)CCN(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000894590957 818216550 /nfs/dbraw/zinc/21/65/50/818216550.db2.gz PDYQLAHQZRWGOB-UHFFFAOYSA-N 0 3 360.414 1.929 20 5 FDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729504868 819992719 /nfs/dbraw/zinc/99/27/19/819992719.db2.gz FHEIDAXHNVFDFX-HZPDHXFCSA-N 0 3 363.418 1.169 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000521267055 821183271 /nfs/dbraw/zinc/18/32/71/821183271.db2.gz LBGYJYUFYAKKBF-CVEARBPZSA-N 0 3 365.430 1.131 20 5 FDBDHN COc1c(O)ccc(CNC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895204441 821837040 /nfs/dbraw/zinc/83/70/40/821837040.db2.gz DIXBUTNNFBOKRN-UPJWGTAASA-N 0 3 353.419 1.896 20 5 FDBDHN Cc1c(C(=O)NCCN2CC[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000524775427 828440915 /nfs/dbraw/zinc/44/09/15/828440915.db2.gz MMMBTDUHKZETDT-GFCCVEGCSA-N 0 3 358.402 1.556 20 5 FDBDHN Cc1cc(N2CC[C@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449177671 829409617 /nfs/dbraw/zinc/40/96/17/829409617.db2.gz WJTOUORFUSLVAA-WFASDCNBSA-N 0 3 357.414 1.963 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@H]1c1cccnc1 ZINC000261838732 837325808 /nfs/dbraw/zinc/32/58/08/837325808.db2.gz UHDAVNPTCXKQDM-INIZCTEOSA-N 0 3 355.398 1.883 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000455667003 838441354 /nfs/dbraw/zinc/44/13/54/838441354.db2.gz JCIREIIAIBIMRW-UHFFFAOYSA-N 0 3 361.406 1.587 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455668963 838446331 /nfs/dbraw/zinc/44/63/31/838446331.db2.gz VAHXSYUEOYQSQW-CYBMUJFWSA-N 0 3 364.450 1.035 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)[C@@H]2C1 ZINC000899138913 845857892 /nfs/dbraw/zinc/85/78/92/845857892.db2.gz YYMLDDHELZYACL-LSDHHAIUSA-N 0 3 356.386 1.011 20 5 FDBDHN CCCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCN(C)C1 ZINC000899207299 845936663 /nfs/dbraw/zinc/93/66/63/845936663.db2.gz QIFZEAGYDIAIPV-MRXNPFEDSA-N 0 3 372.429 1.791 20 5 FDBDHN O=C(NCCNCc1ccc(F)cc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001126939171 848689018 /nfs/dbraw/zinc/68/90/18/848689018.db2.gz PWNUNFGJPJXNFW-ZYHUDNBSSA-N 0 3 360.183 1.459 20 5 FDBDHN O=C(NCCNCc1cc(F)ccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001126939380 848696573 /nfs/dbraw/zinc/69/65/73/848696573.db2.gz VZNMDSMPWFBDDH-ZYHUDNBSSA-N 0 3 360.183 1.459 20 5 FDBDHN COCCN(C)C[C@@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905979201 852512807 /nfs/dbraw/zinc/51/28/07/852512807.db2.gz HFTPVRUYPLSIPN-SNVBAGLBSA-N 0 3 363.208 1.675 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485835640 852972708 /nfs/dbraw/zinc/97/27/08/852972708.db2.gz ZGQVYHMMVUVVOA-UHFFFAOYSA-N 0 3 370.400 1.559 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1=O ZINC000911872647 859065542 /nfs/dbraw/zinc/06/55/42/859065542.db2.gz DNSOWSLFAMASOE-UHFFFAOYSA-N 0 3 372.784 1.233 20 5 FDBDHN COC(CN(CCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C)OC ZINC000272762425 881541726 /nfs/dbraw/zinc/54/17/26/881541726.db2.gz QJXMTIBEUKSDTM-UHFFFAOYSA-N 0 3 369.418 1.535 20 5 FDBDHN CCc1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000916660149 881990824 /nfs/dbraw/zinc/99/08/24/881990824.db2.gz FKAFLSFJQLJMJD-UONOGXRCSA-N 0 3 353.444 1.729 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000916666112 882021242 /nfs/dbraw/zinc/02/12/42/882021242.db2.gz DGCZVCDSMAWHJI-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC000916967240 882736645 /nfs/dbraw/zinc/73/66/45/882736645.db2.gz RFTWYWSMDCDNLC-ZACQAIPSSA-N 0 3 350.346 1.451 20 5 FDBDHN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428963769 879132321 /nfs/dbraw/zinc/13/23/21/879132321.db2.gz NIQCJVCHLVJPNO-GOSISDBHSA-N 0 3 358.398 1.632 20 5 FDBDHN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428963769 879132326 /nfs/dbraw/zinc/13/23/26/879132326.db2.gz NIQCJVCHLVJPNO-GOSISDBHSA-N 0 3 358.398 1.632 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000428966655 879153277 /nfs/dbraw/zinc/15/32/77/879153277.db2.gz KGWRYNMUWBSOMI-SFHVURJKSA-N 0 3 373.413 1.037 20 5 FDBDHN CN1C[C@@]2(C)CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918352536 884353302 /nfs/dbraw/zinc/35/33/02/884353302.db2.gz VUNHUBASINWKJI-HOTGVXAUSA-N 0 3 353.444 1.698 20 5 FDBDHN CCCCc1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643683 884603765 /nfs/dbraw/zinc/60/37/65/884603765.db2.gz QYSGBXNTUSVYAV-AAVRWANBSA-N 0 3 365.434 1.594 20 5 FDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069796970 891565283 /nfs/dbraw/zinc/56/52/83/891565283.db2.gz YVZOHRLFNUDPRF-HNNXBMFYSA-N 0 3 359.430 1.946 20 5 FDBDHN O=C(NC1CCN(Cc2cc(CO)ccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788188 893956574 /nfs/dbraw/zinc/95/65/74/893956574.db2.gz OIIROEKUSQVNCC-GDBMZVCRSA-N 0 3 351.378 1.064 20 5 FDBDHN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376430667 901375268 /nfs/dbraw/zinc/37/52/68/901375268.db2.gz YMGXFWYDEULDNB-LSDHHAIUSA-N 0 3 360.414 1.948 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2noc(-c3ccccc3)n2)CC1 ZINC000996439026 903888221 /nfs/dbraw/zinc/88/82/21/903888221.db2.gz AFQUKABGYJTMFZ-HUUCEWRRSA-N 0 3 371.397 1.482 20 5 FDBDHN NCc1ccc2c(n1)N(c1ncnc(N3CCOCC3)c1[N+](=O)[O-])CCC2 ZINC001169590414 928762041 /nfs/dbraw/zinc/76/20/41/928762041.db2.gz KYIAFLYTXFKLQO-UHFFFAOYSA-N 0 3 371.401 1.159 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000771495918 930698598 /nfs/dbraw/zinc/69/85/98/930698598.db2.gz WSGCGTMTQCXADA-CYBMUJFWSA-N 0 3 365.434 1.815 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788959077 932889551 /nfs/dbraw/zinc/88/95/51/932889551.db2.gz PWTVXZVPYUJGOH-MRXNPFEDSA-N 0 3 360.366 1.970 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000794340848 938389365 /nfs/dbraw/zinc/38/93/65/938389365.db2.gz ZSTPDMOAMYRDAA-UHFFFAOYSA-N 0 3 371.397 1.851 20 5 FDBDHN CC(COC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813110260 941335237 /nfs/dbraw/zinc/33/52/37/941335237.db2.gz WAPCCDVGGLTEEU-RYUDHWBXSA-N 0 3 370.789 1.776 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000818944028 943355483 /nfs/dbraw/zinc/35/54/83/943355483.db2.gz KESSCOMUXIZXAE-UHFFFAOYSA-N 0 3 361.387 1.610 20 5 FDBDHN CS(=O)(=O)NC1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000818946401 943357574 /nfs/dbraw/zinc/35/75/74/943357574.db2.gz MDTDYVDPRFLIME-HNNXBMFYSA-N 0 3 371.459 1.470 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000843850258 947334688 /nfs/dbraw/zinc/33/46/88/947334688.db2.gz XNNZGPLVZABKDB-UHFFFAOYSA-N 0 3 366.374 1.388 20 5 FDBDHN C/C(=C/C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000844762222 948370348 /nfs/dbraw/zinc/37/03/48/948370348.db2.gz NEGKDHLICITSNP-OWBHPGMISA-N 0 3 360.414 1.231 20 5 FDBDHN CC([C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881116 950058685 /nfs/dbraw/zinc/05/86/85/950058685.db2.gz YAWRJQFRBZVOTQ-BXKDBHETSA-N 0 3 362.379 1.403 20 5 FDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCN2CCOCC2)CC1 ZINC001173228803 961971184 /nfs/dbraw/zinc/97/11/84/961971184.db2.gz YZLIRPGQZSAWBY-KRWDZBQOSA-N 0 3 362.474 1.476 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCNCc1ncccn1)CC1CCCC1 ZINC001177313791 963755743 /nfs/dbraw/zinc/75/57/43/963755743.db2.gz PVOUXPZEAVQKDT-HZPDHXFCSA-N 0 3 361.446 1.640 20 5 FDBDHN Cn1cc(Cl)c(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178463915 964246507 /nfs/dbraw/zinc/24/65/07/964246507.db2.gz NCLLNMAGGAVYOK-BXUZGUMPSA-N 0 3 357.842 1.505 20 5 FDBDHN COC(=O)COc1ccc(CNC2CC(OC)(OC)C2)cc1[N+](=O)[O-] ZINC001179641861 964942650 /nfs/dbraw/zinc/94/26/50/964942650.db2.gz SSLRCUPQODTMGU-UHFFFAOYSA-N 0 3 354.359 1.388 20 5 FDBDHN COC(=O)NC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000852768184 967594162 /nfs/dbraw/zinc/59/41/62/967594162.db2.gz UWBUWKYSHJCTLV-UHFFFAOYSA-N 0 3 368.365 1.883 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853834887 968359132 /nfs/dbraw/zinc/35/91/32/968359132.db2.gz XWTCGERPNPHTMC-UHFFFAOYSA-N 0 3 351.432 1.661 20 5 FDBDHN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCN(CC2CC2)CC1 ZINC000794621535 973486684 /nfs/dbraw/zinc/48/66/84/973486684.db2.gz UJVWGQGNVRBYMS-UHFFFAOYSA-N 0 3 359.386 1.397 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000865060350 974047306 /nfs/dbraw/zinc/04/73/06/974047306.db2.gz QDDUAYPUAVQVCF-IAGOWNOFSA-N 0 3 359.426 1.996 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000867323247 974332509 /nfs/dbraw/zinc/33/25/09/974332509.db2.gz AZPGADBOSRRPBS-UHFFFAOYSA-N 0 3 364.446 1.566 20 5 FDBDHN CC(C)c1ccc(CNC[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000865801220 974504527 /nfs/dbraw/zinc/50/45/27/974504527.db2.gz RLXRBBQIHGMURL-SFHVURJKSA-N 0 3 363.414 1.436 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000867813120 976920285 /nfs/dbraw/zinc/92/02/85/976920285.db2.gz RERKCDFSHBOVTI-ZYHUDNBSSA-N 0 3 359.835 1.963 20 5 FDBDHN Cc1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868357706 977527204 /nfs/dbraw/zinc/52/72/04/977527204.db2.gz FBEVVKOATYPZKB-AWEZNQCLSA-N 0 3 363.462 1.586 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000849494323 977688356 /nfs/dbraw/zinc/68/83/56/977688356.db2.gz SRCXTTRTKNBMQP-IRXDYDNUSA-N 0 3 369.425 1.953 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000850593422 978454284 /nfs/dbraw/zinc/45/42/84/978454284.db2.gz QCKZJNQRYYRIDH-NXEZZACHSA-N 0 3 351.787 1.616 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850682081 978604115 /nfs/dbraw/zinc/60/41/15/978604115.db2.gz GARUCURZPGUNIY-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN O=C1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CN1 ZINC000851748310 979027412 /nfs/dbraw/zinc/02/74/12/979027412.db2.gz LYFMIGLVZHBLHP-LLVKDONJSA-N 0 3 372.347 1.872 20 5 FDBDHN CC(C)[C@H]1CN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000872737772 988023673 /nfs/dbraw/zinc/02/36/73/988023673.db2.gz SVHHZBWCXZVUAS-AEFFLSMTSA-N 0 3 362.430 1.762 20 5 FDBDHN Cc1cccnc1NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365783930 988080420 /nfs/dbraw/zinc/08/04/20/988080420.db2.gz FBFRYUBRAURAFK-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294625454 988502882 /nfs/dbraw/zinc/50/28/82/988502882.db2.gz RRMQNMOSNHAZFQ-KRWDZBQOSA-N 0 3 374.441 1.754 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363395780 989159855 /nfs/dbraw/zinc/15/98/55/989159855.db2.gz NCJPVKAAGABBHD-CHWSQXEVSA-N 0 3 372.381 1.442 20 5 FDBDHN Nc1c(C(=O)N2CCCN(C3CCOCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000363649798 989367886 /nfs/dbraw/zinc/36/78/86/989367886.db2.gz ABJBMDQTRNGXKX-UHFFFAOYSA-N 0 3 366.393 1.643 20 5 FDBDHN CN1CCC(Oc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000363667996 989382404 /nfs/dbraw/zinc/38/24/04/989382404.db2.gz AUWZCVQHZCSSSJ-UHFFFAOYSA-N 0 3 360.374 1.298 20 5 FDBDHN C[C@@H](N[C@H]1CCCN(c2ccncn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000370901279 990107120 /nfs/dbraw/zinc/10/71/20/990107120.db2.gz XAYFDNVJADZYHV-HIFRSBDPSA-N 0 3 370.413 1.970 20 5 FDBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCCC1 ZINC000371284960 990337739 /nfs/dbraw/zinc/33/77/39/990337739.db2.gz WEOOPVKIBGCYME-OAHLLOKOSA-N 0 3 362.430 1.481 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874851016 990580758 /nfs/dbraw/zinc/58/07/58/990580758.db2.gz YYACZBIGXZWIKF-JKSUJKDBSA-N 0 3 360.414 1.328 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000876471720 992632399 /nfs/dbraw/zinc/63/23/99/992632399.db2.gz GXOFNJCCRBAVTB-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN COc1ccc([C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCN2)cc1 ZINC000879520028 994973540 /nfs/dbraw/zinc/97/35/40/994973540.db2.gz FCMKFKJYWDYTFV-QGZVFWFLSA-N 0 3 358.398 1.412 20 5 FDBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889738745 998557876 /nfs/dbraw/zinc/55/78/76/998557876.db2.gz BNPLOPRBSVUJME-BRSBDYLESA-N 0 3 359.426 1.756 20 5 FDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889751957 998594070 /nfs/dbraw/zinc/59/40/70/998594070.db2.gz SUTQWANSQWQBII-BSDSXHPESA-N 0 3 359.426 1.756 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889781375 998655038 /nfs/dbraw/zinc/65/50/38/998655038.db2.gz MZFSOZRBMUGEDE-DLBZAZTESA-N 0 3 362.430 1.454 20 5 FDBDHN C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246056 998941216 /nfs/dbraw/zinc/94/12/16/998941216.db2.gz RYLOUDBFZWRMLG-GXTWGEPZSA-N 0 3 351.403 1.973 20 5 FDBDHN C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246056 998941221 /nfs/dbraw/zinc/94/12/21/998941221.db2.gz RYLOUDBFZWRMLG-GXTWGEPZSA-N 0 3 351.403 1.973 20 5 FDBDHN CN(CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000284416670 999828664 /nfs/dbraw/zinc/82/86/64/999828664.db2.gz BXJHSTSLSPLGTG-UHFFFAOYSA-N 0 3 360.414 1.296 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)N(C)C1 ZINC000284979919 999890174 /nfs/dbraw/zinc/89/01/74/999890174.db2.gz XSYYCNWGDSWXMB-HOTGVXAUSA-N 0 3 362.430 1.135 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)C[C@@]3(O)CCOC3)C2)cc1 ZINC000930639414 1003352259 /nfs/dbraw/zinc/35/22/59/1003352259.db2.gz REFIGSKZKFHWCL-NJAFHUGGSA-N 0 3 350.415 1.677 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000931187227 1003945650 /nfs/dbraw/zinc/94/56/50/1003945650.db2.gz QWSOAIGNQJASHL-CHWSQXEVSA-N 0 3 351.428 1.910 20 5 FDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC23CCOCC3)c2c(c1)COCO2 ZINC000934407827 1005741604 /nfs/dbraw/zinc/74/16/04/1005741604.db2.gz DAIUSTLXQOAQCJ-HNNXBMFYSA-N 0 3 350.371 1.889 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000935984022 1006206908 /nfs/dbraw/zinc/20/69/08/1006206908.db2.gz KZEFJDAHQANCHJ-GJZGRUSLSA-N 0 3 351.378 1.334 20 5 FDBDHN COc1cc(C(=O)N2CCN(CCN(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000191277882 178050585 /nfs/dbraw/zinc/05/05/85/178050585.db2.gz OEMYSFIDQJIHLZ-UHFFFAOYSA-N 0 3 350.419 1.231 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193272356 178154954 /nfs/dbraw/zinc/15/49/54/178154954.db2.gz ZVPSQKDZLGIDPB-JTQLQIEISA-N 0 3 361.395 1.411 20 5 FDBDHN Cn1cc(CNCCC(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237910067 178337092 /nfs/dbraw/zinc/33/70/92/178337092.db2.gz PUXWGEJTHCPWAG-UHFFFAOYSA-N 0 3 373.413 1.334 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000237945126 178339366 /nfs/dbraw/zinc/33/93/66/178339366.db2.gz ZLNABXQQLUMMDH-NSHDSACASA-N 0 3 352.416 1.083 20 5 FDBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000511732088 538963116 /nfs/dbraw/zinc/96/31/16/538963116.db2.gz WMGPRQAZCDFJMP-HNNXBMFYSA-N 0 3 372.429 1.603 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262183332 178689785 /nfs/dbraw/zinc/68/97/85/178689785.db2.gz SHOYBZUVGKEWPG-MRXNPFEDSA-N 0 3 354.410 1.813 20 5 FDBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519141357 539471092 /nfs/dbraw/zinc/47/10/92/539471092.db2.gz BCHBIGCDULKSEV-OAHLLOKOSA-N 0 3 359.382 1.354 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000264205407 179048825 /nfs/dbraw/zinc/04/88/25/179048825.db2.gz KMZPCMXYWXXGOM-UHFFFAOYSA-N 0 3 362.430 1.788 20 5 FDBDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264415771 179102016 /nfs/dbraw/zinc/10/20/16/179102016.db2.gz HKATUPBKBHAFKY-HNNXBMFYSA-N 0 3 358.402 1.650 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000523869579 539625048 /nfs/dbraw/zinc/62/50/48/539625048.db2.gz MJZUCNLZVJXFSC-HNNXBMFYSA-N 0 3 365.430 1.355 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000524771655 539662523 /nfs/dbraw/zinc/66/25/23/539662523.db2.gz MWCKXCCIWCIWQY-CQSZACIVSA-N 0 3 363.414 1.851 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269625753 180343985 /nfs/dbraw/zinc/34/39/85/180343985.db2.gz COLUDMHWEVVWBH-YSVLISHTSA-N 0 3 365.430 1.491 20 5 FDBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269587921 180335807 /nfs/dbraw/zinc/33/58/07/180335807.db2.gz BQVUHEMJNFZBAH-UHFFFAOYSA-N 0 3 372.425 1.867 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)ccn1 ZINC000273982846 181007209 /nfs/dbraw/zinc/00/72/09/181007209.db2.gz PRUFBPFVUBLPMT-UHFFFAOYSA-N 0 3 359.346 1.381 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCN4CCOCC4)CC3)nc2c1 ZINC000274037388 181015666 /nfs/dbraw/zinc/01/56/66/181015666.db2.gz MZWMBWWSWOHFEI-UHFFFAOYSA-N 0 3 374.445 1.315 20 5 FDBDHN CN(CCN(C)C1CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274437162 181093570 /nfs/dbraw/zinc/09/35/70/181093570.db2.gz ATGLYINPZFNLKN-UHFFFAOYSA-N 0 3 350.375 1.288 20 5 FDBDHN CCOC[C@@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274844610 181176051 /nfs/dbraw/zinc/17/60/51/181176051.db2.gz PKCNEOOZYPQCRI-AWEZNQCLSA-N 0 3 363.418 1.381 20 5 FDBDHN CCOCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532398564 540159429 /nfs/dbraw/zinc/15/94/29/540159429.db2.gz QRJZPQXHFJUMBC-UHFFFAOYSA-N 0 3 364.402 1.385 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984353 540433592 /nfs/dbraw/zinc/43/35/92/540433592.db2.gz HALFPFLFJUSWLS-UHFFFAOYSA-N 0 3 359.430 1.786 20 5 FDBDHN CC(=O)NC1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275372163 181302040 /nfs/dbraw/zinc/30/20/40/181302040.db2.gz VYOUJOMYZHOVKS-UHFFFAOYSA-N 0 3 369.443 1.405 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000541633702 541237917 /nfs/dbraw/zinc/23/79/17/541237917.db2.gz MPMPGXMQKLWQLU-HNNXBMFYSA-N 0 3 364.402 1.102 20 5 FDBDHN CN(C)C1(CN(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCC1 ZINC000275649378 181377780 /nfs/dbraw/zinc/37/77/80/181377780.db2.gz PBPXNXJLWWQQRU-UHFFFAOYSA-N 0 3 374.397 1.134 20 5 FDBDHN CN(C)CCN(CCOCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543691435 541637113 /nfs/dbraw/zinc/63/71/13/541637113.db2.gz WEZBBLDJWMIBOT-UHFFFAOYSA-N 0 3 358.370 1.138 20 5 FDBDHN CCCCN(C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000543938998 541686875 /nfs/dbraw/zinc/68/68/75/541686875.db2.gz STGZQHRXEGCASB-UHFFFAOYSA-N 0 3 350.419 1.481 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282381090 182001776 /nfs/dbraw/zinc/00/17/76/182001776.db2.gz CMMOLNXLBPHMKX-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282440263 182011756 /nfs/dbraw/zinc/01/17/56/182011756.db2.gz ZICFMCPTGOHHSO-UHFFFAOYSA-N 0 3 363.462 1.762 20 5 FDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282505433 182021651 /nfs/dbraw/zinc/02/16/51/182021651.db2.gz PIKLWQZFHBOPEN-UHFFFAOYSA-N 0 3 372.429 1.691 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282704413 182044614 /nfs/dbraw/zinc/04/46/14/182044614.db2.gz YDALOPZJVCOQDN-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN CN(C)CCOC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000545468161 541977834 /nfs/dbraw/zinc/97/78/34/541977834.db2.gz KQEQWBICTGRDCN-UHFFFAOYSA-N 0 3 357.432 1.326 20 5 FDBDHN CC(=O)c1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000286377143 183051193 /nfs/dbraw/zinc/05/11/93/183051193.db2.gz XYLLWHFDVXOCAZ-QGZVFWFLSA-N 0 3 360.414 1.540 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286501460 183083552 /nfs/dbraw/zinc/08/35/52/183083552.db2.gz YGTMGSMWIKICKS-NEPJUHHUSA-N 0 3 354.432 1.305 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286505294 183083807 /nfs/dbraw/zinc/08/38/07/183083807.db2.gz ACFCAPQWRIFUAN-TZMCWYRMSA-N 0 3 369.443 1.851 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286569681 183099460 /nfs/dbraw/zinc/09/94/60/183099460.db2.gz XMLYVQRXNUGJBE-TZMCWYRMSA-N 0 3 368.459 1.566 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCN(C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295044878 184029830 /nfs/dbraw/zinc/02/98/30/184029830.db2.gz XMWAYKQRNOYOML-LBPRGKRZSA-N 0 3 368.459 1.423 20 5 FDBDHN C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295797900 184105332 /nfs/dbraw/zinc/10/53/32/184105332.db2.gz ZRVIIHJIKVVASC-ZDUSSCGKSA-N 0 3 361.398 1.729 20 5 FDBDHN C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295797896 184105454 /nfs/dbraw/zinc/10/54/54/184105454.db2.gz ZRVIIHJIKVVASC-CYBMUJFWSA-N 0 3 361.398 1.729 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297433342 184270706 /nfs/dbraw/zinc/27/07/06/184270706.db2.gz IDNRWFZKWNTKFN-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553191832 543584150 /nfs/dbraw/zinc/58/41/50/543584150.db2.gz ODXYBDPGLCSELW-GFCCVEGCSA-N 0 3 360.418 1.682 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000081997784 172199586 /nfs/dbraw/zinc/19/95/86/172199586.db2.gz ZCZCKKBMPDWUHM-UHFFFAOYSA-N 0 3 368.409 1.935 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000085456756 172218127 /nfs/dbraw/zinc/21/81/27/172218127.db2.gz HGSXMFWYWKURMP-KBPBESRZSA-N 0 3 353.423 1.187 20 5 FDBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091373241 172283536 /nfs/dbraw/zinc/28/35/36/172283536.db2.gz TZAZRMOLFTYFTC-GFCCVEGCSA-N 0 3 365.411 1.972 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000104370814 172378499 /nfs/dbraw/zinc/37/84/99/172378499.db2.gz VQPCRLMNTSHLDA-OAHLLOKOSA-N 0 3 366.393 1.406 20 5 FDBDHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000130383197 173168495 /nfs/dbraw/zinc/16/84/95/173168495.db2.gz MYBOAISIDAYCDL-LBPRGKRZSA-N 0 3 372.385 1.268 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131350622 173199475 /nfs/dbraw/zinc/19/94/75/173199475.db2.gz RBGHOCVHYSQGDP-KBPBESRZSA-N 0 3 355.416 1.002 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000134297359 173321744 /nfs/dbraw/zinc/32/17/44/173321744.db2.gz WSWUGOPEDAPUOO-MRXNPFEDSA-N 0 3 368.821 1.690 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150818304 173382659 /nfs/dbraw/zinc/38/26/59/173382659.db2.gz LPCSKTRKUSLDMV-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175424911 174005331 /nfs/dbraw/zinc/00/53/31/174005331.db2.gz HCLHJSJSGFHOAS-NRPGXWLVSA-N 0 3 366.443 1.583 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C3CCOCC3)CC2)c1 ZINC000175482957 174008918 /nfs/dbraw/zinc/00/89/18/174008918.db2.gz IWQCMTLMFQGWFC-QGZVFWFLSA-N 0 3 365.430 1.131 20 5 FDBDHN Cc1cccc(NC(=O)[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176212194 174058786 /nfs/dbraw/zinc/05/87/86/174058786.db2.gz QVAORUFGZHKJSP-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000177837563 174160036 /nfs/dbraw/zinc/16/00/36/174160036.db2.gz FNSITDCEEINYOQ-UKRRQHHQSA-N 0 3 362.430 1.491 20 5 FDBDHN CN1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000179203852 258346241 /nfs/dbraw/zinc/34/62/41/258346241.db2.gz BCMRAGRFRPYQEJ-HOTGVXAUSA-N 0 3 358.402 1.536 20 5 FDBDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000554373263 543793080 /nfs/dbraw/zinc/79/30/80/543793080.db2.gz FFDCNNZMLVZPIT-TZMCWYRMSA-N 0 3 356.448 1.516 20 5 FDBDHN COc1ccc(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000557624436 544320744 /nfs/dbraw/zinc/32/07/44/544320744.db2.gz RLLNGXNLIKIJMR-GUTXKFCHSA-N 0 3 353.419 1.163 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559465295 544696867 /nfs/dbraw/zinc/69/68/67/544696867.db2.gz LUYNGBAUOTWKAE-ROUUACIJSA-N 0 3 363.414 1.751 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1=CCN(C)CC1 ZINC000299725499 259019599 /nfs/dbraw/zinc/01/95/99/259019599.db2.gz UKEJAJRZEFJICV-JTQLQIEISA-N 0 3 366.805 1.953 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2)CC1 ZINC000302695766 259044444 /nfs/dbraw/zinc/04/44/44/259044444.db2.gz GUFBYNIRBJEUJX-UHFFFAOYSA-N 0 3 362.411 1.720 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000331260949 259183420 /nfs/dbraw/zinc/18/34/20/259183420.db2.gz BUGVIDULNDHLTE-CQSZACIVSA-N 0 3 371.459 1.274 20 5 FDBDHN C[C@H](CO)N1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000364953989 259799909 /nfs/dbraw/zinc/79/99/09/259799909.db2.gz IUSDUYROOLMOMA-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367297972 260023127 /nfs/dbraw/zinc/02/31/27/260023127.db2.gz GRKXKINDOPLYGO-MRXNPFEDSA-N 0 3 350.394 1.648 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367953040 260114323 /nfs/dbraw/zinc/11/43/23/260114323.db2.gz YCUNGDFLKDHLDP-UONOGXRCSA-N 0 3 355.341 1.666 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367953034 260114423 /nfs/dbraw/zinc/11/44/23/260114423.db2.gz YCUNGDFLKDHLDP-KBPBESRZSA-N 0 3 355.341 1.666 20 5 FDBDHN O=C(CN[C@@H]1CCCC[C@@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000368948230 260264875 /nfs/dbraw/zinc/26/48/75/260264875.db2.gz BLRBQAUKFTZFHO-ZBFHGGJFSA-N 0 3 362.430 1.766 20 5 FDBDHN CC(C)CN1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000369308979 260337275 /nfs/dbraw/zinc/33/72/75/260337275.db2.gz DKWOZYQTDFFHJJ-UHFFFAOYSA-N 0 3 372.429 1.979 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)c2ccncc21 ZINC000369349130 260346116 /nfs/dbraw/zinc/34/61/16/260346116.db2.gz XJJNBMMEDUWIBY-OAHLLOKOSA-N 0 3 371.441 1.961 20 5 FDBDHN COc1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000369543632 260387508 /nfs/dbraw/zinc/38/75/08/260387508.db2.gz JVRZHBJUOXLURT-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CCc1nn(C)c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374256252 261100810 /nfs/dbraw/zinc/10/08/10/261100810.db2.gz NCPZWUJJVYOZHG-ZDUSSCGKSA-N 0 3 350.467 1.495 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000374432620 261131015 /nfs/dbraw/zinc/13/10/15/261131015.db2.gz ZQXZWSSKBSYKHD-RISCZKNCSA-N 0 3 364.377 1.533 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)C1 ZINC000374762362 261190558 /nfs/dbraw/zinc/19/05/58/261190558.db2.gz CQKYOLIUSSFNPD-GFCCVEGCSA-N 0 3 365.409 1.168 20 5 FDBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375494125 261353288 /nfs/dbraw/zinc/35/32/88/261353288.db2.gz FGRWTOXUGLOQSQ-CYBMUJFWSA-N 0 3 373.862 1.994 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375687601 261399595 /nfs/dbraw/zinc/39/95/95/261399595.db2.gz KBPKHZAKNHKPJP-AEFFLSMTSA-N 0 3 357.410 1.855 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000378457554 262029037 /nfs/dbraw/zinc/02/90/37/262029037.db2.gz WAUPULZVXJORLH-RISCZKNCSA-N 0 3 362.386 1.095 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000409716139 262135901 /nfs/dbraw/zinc/13/59/01/262135901.db2.gz KCKBGXZAJNCXTB-HNNXBMFYSA-N 0 3 351.403 1.183 20 5 FDBDHN CS[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270413807 674207323 /nfs/dbraw/zinc/20/73/23/674207323.db2.gz BOCSEFRZRFFUIR-STQMWFEESA-N 0 3 355.464 1.302 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000270467151 674214394 /nfs/dbraw/zinc/21/43/94/674214394.db2.gz LLOILORHUBGSAY-SWLSCSKDSA-N 0 3 369.443 1.730 20 5 FDBDHN COC(=O)c1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc([N+](=O)[O-])c1 ZINC000270527778 674223227 /nfs/dbraw/zinc/22/32/27/674223227.db2.gz UWRKTMXOKPJXQP-KGLIPLIRSA-N 0 3 367.427 1.499 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270685857 674250600 /nfs/dbraw/zinc/25/06/00/674250600.db2.gz WDMDHGZBRQJHCF-HUUCEWRRSA-N 0 3 352.460 1.535 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000271116280 674311634 /nfs/dbraw/zinc/31/16/34/674311634.db2.gz KAJBDWJZSSUEEV-KBPBESRZSA-N 0 3 368.415 1.929 20 5 FDBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000271147094 674315459 /nfs/dbraw/zinc/31/54/59/674315459.db2.gz ZAMCSBGNCUAPDI-INIZCTEOSA-N 0 3 350.419 1.133 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCN(C(C)=O)CC1 ZINC000026339932 519117990 /nfs/dbraw/zinc/11/79/90/519117990.db2.gz SFZPQIJTSGOQRA-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000026711430 519134005 /nfs/dbraw/zinc/13/40/05/519134005.db2.gz LUVFYMRDRUWHKJ-DZGCQCFKSA-N 0 3 352.387 1.610 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000046947132 522396560 /nfs/dbraw/zinc/39/65/60/522396560.db2.gz TZENSFKFSFRGEQ-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000073521095 522541600 /nfs/dbraw/zinc/54/16/00/522541600.db2.gz SCVXRLKXQJTLGM-ZDUSSCGKSA-N 0 3 359.386 1.408 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063485801 522598557 /nfs/dbraw/zinc/59/85/57/522598557.db2.gz VDULMOZYJKGZLL-UHFFFAOYSA-N 0 3 359.430 1.814 20 5 FDBDHN CN1CCN(CCCCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063783706 522652596 /nfs/dbraw/zinc/65/25/96/522652596.db2.gz RVTWZAKWNQYVPE-UHFFFAOYSA-N 0 3 364.446 1.508 20 5 FDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066223769 522991991 /nfs/dbraw/zinc/99/19/91/522991991.db2.gz FMANEUFPSIUZDB-GFCCVEGCSA-N 0 3 366.805 1.883 20 5 FDBDHN CN(C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000077291529 523287428 /nfs/dbraw/zinc/28/74/28/523287428.db2.gz WYIXLNWALADOSN-MRXNPFEDSA-N 0 3 364.427 1.957 20 5 FDBDHN CC(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000149938441 524468915 /nfs/dbraw/zinc/46/89/15/524468915.db2.gz UJHIXTVGRHDSLC-MRXNPFEDSA-N 0 3 372.429 1.385 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150823682 524491020 /nfs/dbraw/zinc/49/10/20/524491020.db2.gz WOQZZALEQXTKPF-LBPRGKRZSA-N 0 3 357.432 1.708 20 5 FDBDHN CN(C)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000122665402 524587480 /nfs/dbraw/zinc/58/74/80/524587480.db2.gz WQBQZIUDMGLAMJ-UHFFFAOYSA-N 0 3 360.370 1.336 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112917182 524591611 /nfs/dbraw/zinc/59/16/11/524591611.db2.gz JSDGXQMXBKJTTD-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000122695095 524593405 /nfs/dbraw/zinc/59/34/05/524593405.db2.gz DSCVWNHQGQVNCW-QWHCGFSZSA-N 0 3 358.402 1.730 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151605689 524625842 /nfs/dbraw/zinc/62/58/42/524625842.db2.gz FEDTWBPSIREPSO-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159319716 524642335 /nfs/dbraw/zinc/64/23/35/524642335.db2.gz VXPQPGNEYYAITD-LJQANCHMSA-N 0 3 369.421 1.673 20 5 FDBDHN COc1ccc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159408496 524664770 /nfs/dbraw/zinc/66/47/70/524664770.db2.gz SHQDWXOCOOXOPF-OAHLLOKOSA-N 0 3 362.430 1.518 20 5 FDBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707943 524698885 /nfs/dbraw/zinc/69/88/85/524698885.db2.gz IMCTZNLZWHGOOR-DYVFJYSZSA-N 0 3 371.401 1.426 20 5 FDBDHN CN(CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000152535314 524917798 /nfs/dbraw/zinc/91/77/98/524917798.db2.gz PZLCBWJQLIIZNY-UHFFFAOYSA-N 0 3 372.429 1.208 20 5 FDBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000160900815 524992339 /nfs/dbraw/zinc/99/23/39/524992339.db2.gz DHHBBANLLJIHBZ-AWEZNQCLSA-N 0 3 355.460 1.789 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153272693 525163005 /nfs/dbraw/zinc/16/30/05/525163005.db2.gz JQDDPURBLQYKBY-INIZCTEOSA-N 0 3 361.358 1.725 20 5 FDBDHN COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000162401654 525255592 /nfs/dbraw/zinc/25/55/92/525255592.db2.gz BUYKTDQTPVIKAZ-OAHLLOKOSA-N 0 3 362.430 1.342 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000125994171 525261004 /nfs/dbraw/zinc/26/10/04/525261004.db2.gz HBNHETUTNCPRAD-MRXNPFEDSA-N 0 3 373.457 1.911 20 5 FDBDHN C[C@@H]1CCC[C@](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)(N(C)C)C1 ZINC000162502415 525270186 /nfs/dbraw/zinc/27/01/86/525270186.db2.gz VSMABHNGUPXORT-DYVFJYSZSA-N 0 3 350.419 1.383 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN(CC2CC2)CC1 ZINC000117335996 525323059 /nfs/dbraw/zinc/32/30/59/525323059.db2.gz GWHPMCMRMYOKHT-UHFFFAOYSA-N 0 3 360.414 1.920 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC2Cc3ccccc3C2)c1 ZINC000178005750 525369531 /nfs/dbraw/zinc/36/95/31/525369531.db2.gz PUQNNUDWHKCJCW-UHFFFAOYSA-N 0 3 361.423 1.630 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163982803 525467649 /nfs/dbraw/zinc/46/76/49/525467649.db2.gz NXPZVUUNLQBUEK-OAHLLOKOSA-N 0 3 355.460 1.883 20 5 FDBDHN O=[N+]([O-])c1cc(I)ccc1OC[C@H]1CNCCO1 ZINC000164091449 525477844 /nfs/dbraw/zinc/47/78/44/525477844.db2.gz NSHIXQAPCJJFFK-SECBINFHSA-N 0 3 364.139 1.567 20 5 FDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000154654058 525600789 /nfs/dbraw/zinc/60/07/89/525600789.db2.gz MXKZGUOCIHZAOQ-ZDUSSCGKSA-N 0 3 352.410 1.276 20 5 FDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CN1CCN(C)CC1 ZINC000154728229 525623207 /nfs/dbraw/zinc/62/32/07/525623207.db2.gz CCPACKGZZWCNLG-CQSZACIVSA-N 0 3 371.441 1.756 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000119415326 525737717 /nfs/dbraw/zinc/73/77/17/525737717.db2.gz CXESLMBDZIWYSS-YGRLFVJLSA-N 0 3 368.821 1.985 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CC1 ZINC000181944331 525994425 /nfs/dbraw/zinc/99/44/25/525994425.db2.gz YPSVCCZRCOPLPQ-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000181960840 525997778 /nfs/dbraw/zinc/99/77/78/525997778.db2.gz XRODTLACHFOPFA-HNNXBMFYSA-N 0 3 371.397 1.878 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1C ZINC000120616744 526129636 /nfs/dbraw/zinc/12/96/36/526129636.db2.gz NSAHQPWEYJSSBC-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000183670257 536026337 /nfs/dbraw/zinc/02/63/37/536026337.db2.gz FEIQFBOJQFUKTJ-DZGCQCFKSA-N 0 3 362.430 1.432 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000184397701 536145731 /nfs/dbraw/zinc/14/57/31/536145731.db2.gz BDLCRSBGFCVQRC-UHFFFAOYSA-N 0 3 362.430 1.942 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185599896 536213397 /nfs/dbraw/zinc/21/33/97/536213397.db2.gz AUTPYAUZEQSSPA-HUUCEWRRSA-N 0 3 363.462 1.981 20 5 FDBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000185611235 536213587 /nfs/dbraw/zinc/21/35/87/536213587.db2.gz OAHDMSQKPRHCIB-GFCCVEGCSA-N 0 3 364.427 1.763 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185846801 536219082 /nfs/dbraw/zinc/21/90/82/536219082.db2.gz SUPDPDMOKLOBJI-AWEZNQCLSA-N 0 3 370.475 1.147 20 5 FDBDHN O=C([C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000246371987 536938740 /nfs/dbraw/zinc/93/87/40/536938740.db2.gz YPOCHUUANCESPB-WBVHZDCISA-N 0 3 363.414 1.199 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247556843 537133439 /nfs/dbraw/zinc/13/34/39/537133439.db2.gz QYBCGHOYVIVHTD-VXGBXAGGSA-N 0 3 366.443 1.471 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000266008962 537183925 /nfs/dbraw/zinc/18/39/25/537183925.db2.gz RYKDEUACBBLXPZ-XJKSGUPXSA-N 0 3 362.430 1.656 20 5 FDBDHN CC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000248758187 537211425 /nfs/dbraw/zinc/21/14/25/537211425.db2.gz XBSLEFHKOORHLJ-PKOBYXMFSA-N 0 3 373.457 1.749 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000249124379 537230962 /nfs/dbraw/zinc/23/09/62/537230962.db2.gz CEDKUHOKZALEHA-ZWNOBZJWSA-N 0 3 368.821 1.985 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1Cn1ccnn1 ZINC000363670424 537272014 /nfs/dbraw/zinc/27/20/14/537272014.db2.gz JRMHFNOOXKWGHS-GJZGRUSLSA-N 0 3 361.402 1.481 20 5 FDBDHN Cc1c(C(=O)NCCN2CCC[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298723599 537288103 /nfs/dbraw/zinc/28/81/03/537288103.db2.gz HFKIXQOPDBEZTF-ZDUSSCGKSA-N 0 3 372.429 1.946 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000276205484 537328456 /nfs/dbraw/zinc/32/84/56/537328456.db2.gz ZLCRKXMCAVWZDQ-DGCLKSJQSA-N 0 3 364.402 1.483 20 5 FDBDHN O=C1NCCCC[C@H]1N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000298820482 537332069 /nfs/dbraw/zinc/33/20/69/537332069.db2.gz BJKSNTWLXLMSIF-MRXNPFEDSA-N 0 3 372.429 1.652 20 5 FDBDHN Cc1ccnc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000272769134 537332306 /nfs/dbraw/zinc/33/23/06/537332306.db2.gz APUJNIBZMGAMCQ-HNNXBMFYSA-N 0 3 361.402 1.399 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000273001701 537373379 /nfs/dbraw/zinc/37/33/79/537373379.db2.gz RHEQQCWGNWRLSY-NSHDSACASA-N 0 3 354.432 1.565 20 5 FDBDHN NC(=O)CCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273021892 537380206 /nfs/dbraw/zinc/38/02/06/537380206.db2.gz BZLJDEBQRSRZRK-AWEZNQCLSA-N 0 3 351.403 1.312 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)C[S@@](C)=O ZINC000299019403 537408228 /nfs/dbraw/zinc/40/82/28/537408228.db2.gz RAEGMARMOHGCOF-YDGUKXNOSA-N 0 3 357.432 1.631 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272003546 537516040 /nfs/dbraw/zinc/51/60/40/537516040.db2.gz IHTLLEIDQTZTHX-CJNGLKHVSA-N 0 3 374.441 1.644 20 5 FDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)C1 ZINC000293824683 537600173 /nfs/dbraw/zinc/60/01/73/537600173.db2.gz BLXCCBPXQLCZRJ-GOSISDBHSA-N 0 3 370.413 1.733 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293913982 537623722 /nfs/dbraw/zinc/62/37/22/537623722.db2.gz IARWXKWWACCTPQ-KUHUBIRLSA-N 0 3 374.441 1.657 20 5 FDBDHN CC(C)N1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000291660641 537653994 /nfs/dbraw/zinc/65/39/94/537653994.db2.gz KTACUUFZJATJNX-LBPRGKRZSA-N 0 3 374.397 1.180 20 5 FDBDHN CC(C)[C@H](Cn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285327762 537685443 /nfs/dbraw/zinc/68/54/43/537685443.db2.gz UCKVOCZDZXFKMX-INIZCTEOSA-N 0 3 366.443 1.879 20 5 FDBDHN CN1CC=C(CNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418919018 537848716 /nfs/dbraw/zinc/84/87/16/537848716.db2.gz JRDGJZYPTLADOW-UHFFFAOYSA-N 0 3 374.182 1.690 20 5 FDBDHN CCCc1n[n-]c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000373021823 538082716 /nfs/dbraw/zinc/08/27/16/538082716.db2.gz FDIAGCPVDVMFHL-UHFFFAOYSA-N 0 3 361.406 1.403 20 5 FDBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCCCN2CCN(CCO)CC2)c1 ZINC000450335509 538123308 /nfs/dbraw/zinc/12/33/08/538123308.db2.gz YOXZARYFUNDABE-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000444268569 538140527 /nfs/dbraw/zinc/14/05/27/538140527.db2.gz NWVSDGZXDSEUNL-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCCO[C@@H](C)C1 ZINC000432860781 538181061 /nfs/dbraw/zinc/18/10/61/538181061.db2.gz UJQAVNXSPYYMLB-ZDUSSCGKSA-N 0 3 350.419 1.867 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000440045573 538211591 /nfs/dbraw/zinc/21/15/91/538211591.db2.gz BCUVGZXCVXVQNE-RYUDHWBXSA-N 0 3 364.402 1.531 20 5 FDBDHN CCCC[C@H](CN)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420136355 538235542 /nfs/dbraw/zinc/23/55/42/538235542.db2.gz CVPREWCBNAXVRS-CQSZACIVSA-N 0 3 362.430 1.720 20 5 FDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424296692 538274533 /nfs/dbraw/zinc/27/45/33/538274533.db2.gz SEYMXEPHGKAFIS-FPMFFAJLSA-N 0 3 358.402 1.082 20 5 FDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420468360 538299982 /nfs/dbraw/zinc/29/99/82/538299982.db2.gz XYQGLKJDMBZGFN-VIFPVBQESA-N 0 3 355.338 1.875 20 5 FDBDHN COC1(CO)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000447404305 538382885 /nfs/dbraw/zinc/38/28/85/538382885.db2.gz JGKPNERDPFMXQO-UHFFFAOYSA-N 0 3 351.403 1.705 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000454136440 538519319 /nfs/dbraw/zinc/51/93/19/538519319.db2.gz QQIFDVAKXPLRDB-CYBMUJFWSA-N 0 3 352.391 1.572 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H](O)CN1CCCCC1 ZINC000486763139 538562697 /nfs/dbraw/zinc/56/26/97/538562697.db2.gz AEJAHTBQCLPTKN-LBPRGKRZSA-N 0 3 357.357 1.379 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)CC1 ZINC000462753358 538654743 /nfs/dbraw/zinc/65/47/43/538654743.db2.gz DGKSLYRBZZZWHD-KRWDZBQOSA-N 0 3 362.474 1.869 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488103904 538711707 /nfs/dbraw/zinc/71/17/07/538711707.db2.gz STYZZEKEQHXHNI-INIZCTEOSA-N 0 3 371.441 1.920 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000469929837 538820699 /nfs/dbraw/zinc/82/06/99/538820699.db2.gz SIQSBIGZUJNMMA-INIZCTEOSA-N 0 3 365.434 1.285 20 5 FDBDHN CCC(=O)N1CC[C@@H](NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474344257 538834705 /nfs/dbraw/zinc/83/47/05/538834705.db2.gz HXOITRVLDIQIAB-CYBMUJFWSA-N 0 3 365.386 1.247 20 5 FDBDHN CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000474705038 538845898 /nfs/dbraw/zinc/84/58/98/538845898.db2.gz BTZOMTNNYXEIKW-UONOGXRCSA-N 0 3 371.459 1.668 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)nn1 ZINC000563117340 546414107 /nfs/dbraw/zinc/41/41/07/546414107.db2.gz ZACAFPOBXJKFLF-CQSZACIVSA-N 0 3 370.369 1.869 20 5 FDBDHN COC(=O)COc1ccc(CN2CCNC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000564973752 547136092 /nfs/dbraw/zinc/13/60/92/547136092.db2.gz RPRKJSKZKAMCJF-LBPRGKRZSA-N 0 3 359.329 1.186 20 5 FDBDHN CC(C)(C)N1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000566111035 547608574 /nfs/dbraw/zinc/60/85/74/547608574.db2.gz WOBYFOKMFOGGGL-QWHCGFSZSA-N 0 3 351.403 1.324 20 5 FDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000566219715 547665757 /nfs/dbraw/zinc/66/57/57/547665757.db2.gz FKPGWKOXNRPVNG-QGZVFWFLSA-N 0 3 361.423 1.983 20 5 FDBDHN CNc1nccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000566466096 547771794 /nfs/dbraw/zinc/77/17/94/547771794.db2.gz YYSUYDILAVBQQN-IBGZPJMESA-N 0 3 369.425 2.426 20 5 FDBDHN O=C1CN(CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000566473796 547774072 /nfs/dbraw/zinc/77/40/72/547774072.db2.gz AIZZIJXVIFLDMH-UHFFFAOYSA-N 0 3 358.398 1.766 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566585488 547816861 /nfs/dbraw/zinc/81/68/61/547816861.db2.gz RPMLCMZXUANAMB-CJNGLKHVSA-N 0 3 370.475 1.906 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566831030 547899889 /nfs/dbraw/zinc/89/98/89/547899889.db2.gz IWUYXFGYBURGRS-QGZVFWFLSA-N 0 3 372.425 1.954 20 5 FDBDHN CC(C)(C)N1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567042637 547974166 /nfs/dbraw/zinc/97/41/66/547974166.db2.gz PBNCAYJZAMXAPV-GXTWGEPZSA-N 0 3 351.403 1.324 20 5 FDBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1C1CCCCC1 ZINC000567263084 548055404 /nfs/dbraw/zinc/05/54/04/548055404.db2.gz QFUJJJLCSGVLIY-HOTGVXAUSA-N 0 3 365.434 1.066 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000568880484 548718091 /nfs/dbraw/zinc/71/80/91/548718091.db2.gz KYGRJOYUARIWIY-GXTWGEPZSA-N 0 3 355.398 1.965 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000569803144 549052699 /nfs/dbraw/zinc/05/26/99/549052699.db2.gz DNWHXMROKSVWQB-IXDOHACOSA-N 0 3 364.377 1.801 20 5 FDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000569993449 549122400 /nfs/dbraw/zinc/12/24/00/549122400.db2.gz SGHMJDPHPNUSHS-HEHGZKQESA-N 0 3 360.414 1.722 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570527290 549313449 /nfs/dbraw/zinc/31/34/49/549313449.db2.gz KZJYFKNQWCEKGV-IUODEOHRSA-N 0 3 353.444 1.986 20 5 FDBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000571160568 549547872 /nfs/dbraw/zinc/54/78/72/549547872.db2.gz KBWAEUPTGLVPOC-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000571562648 549691289 /nfs/dbraw/zinc/69/12/89/549691289.db2.gz SLMQBMMVHCVGMJ-UONOGXRCSA-N 0 3 356.444 1.757 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCc2nnc(-c3ccccc3)o2)c1 ZINC000571634405 549714654 /nfs/dbraw/zinc/71/46/54/549714654.db2.gz QINCFIZYCXNTPX-CQSZACIVSA-N 0 3 358.358 1.035 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCN(C3CC3)C2)cc1 ZINC000573476540 550146796 /nfs/dbraw/zinc/14/67/96/550146796.db2.gz PMJBCBCYWYARRH-CYBMUJFWSA-N 0 3 353.444 1.442 20 5 FDBDHN CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](CN)C1 ZINC000576821471 550589751 /nfs/dbraw/zinc/58/97/51/550589751.db2.gz NHCKCFSFRGELIR-HNNXBMFYSA-N 0 3 364.449 1.256 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577504599 550664115 /nfs/dbraw/zinc/66/41/15/550664115.db2.gz JLFYQIRGBBOZGI-XDTLVQLUSA-N 0 3 357.794 1.149 20 5 FDBDHN CCc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(CC)CC)cc1 ZINC000578783264 550801437 /nfs/dbraw/zinc/80/14/37/550801437.db2.gz GJSPKUMVEZSCNB-MRXNPFEDSA-N 0 3 374.445 1.948 20 5 FDBDHN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000579001251 550825059 /nfs/dbraw/zinc/82/50/59/550825059.db2.gz HDQNJAXMSMIOBI-GHMZBOCLSA-N 0 3 354.382 1.020 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000580650890 551004644 /nfs/dbraw/zinc/00/46/44/551004644.db2.gz VLTFZUUDLSRKBY-UHFFFAOYSA-N 0 3 353.375 1.016 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000580842599 551024355 /nfs/dbraw/zinc/02/43/55/551024355.db2.gz LXWJRHZATZRRRH-MRXNPFEDSA-N 0 3 371.340 1.383 20 5 FDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000581602813 551110158 /nfs/dbraw/zinc/11/01/58/551110158.db2.gz SABLMRKDFJYZFO-LBPRGKRZSA-N 0 3 374.319 1.969 20 5 FDBDHN Nc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)cc(CO)c1[N+](=O)[O-] ZINC000588014414 551640854 /nfs/dbraw/zinc/64/08/54/551640854.db2.gz AWBFSIBLWFXEAI-QGZVFWFLSA-N 0 3 372.425 1.848 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588864033 551694691 /nfs/dbraw/zinc/69/46/91/551694691.db2.gz WYJZFSPDOKYHHK-HUUCEWRRSA-N 0 3 360.414 1.450 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000589503914 551734047 /nfs/dbraw/zinc/73/40/47/551734047.db2.gz ZGBQOJHJIZNNND-CQSZACIVSA-N 0 3 363.414 1.536 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590444966 551785239 /nfs/dbraw/zinc/78/52/39/551785239.db2.gz OPZILCJHEJPNOR-SWLSCSKDSA-N 0 3 356.386 1.260 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000590539633 551789777 /nfs/dbraw/zinc/78/97/77/551789777.db2.gz WOKCORMNIHCWPL-GOSISDBHSA-N 0 3 365.430 1.587 20 5 FDBDHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000590599526 551796867 /nfs/dbraw/zinc/79/68/67/551796867.db2.gz BAYUVYJWPHOTGR-UHFFFAOYSA-N 0 3 357.794 1.972 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590753329 551812379 /nfs/dbraw/zinc/81/23/79/551812379.db2.gz NDOQTVNRUWXUOU-ZJUUUORDSA-N 0 3 365.342 1.193 20 5 FDBDHN Cn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)n1 ZINC000591759811 551906730 /nfs/dbraw/zinc/90/67/30/551906730.db2.gz XJWHFYPXJBWDIO-INIZCTEOSA-N 0 3 356.386 1.343 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592259453 551968891 /nfs/dbraw/zinc/96/88/91/551968891.db2.gz DSKVEBZBAZQVEP-LBPRGKRZSA-N 0 3 363.418 1.741 20 5 FDBDHN Cc1c(Br)cc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000592389109 551987636 /nfs/dbraw/zinc/98/76/36/551987636.db2.gz ATXWPFYETFSZDL-UHFFFAOYSA-N 0 3 364.221 1.258 20 5 FDBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592383519 551986792 /nfs/dbraw/zinc/98/67/92/551986792.db2.gz ZYRAIRUZVMCQAT-KNVOCYPGSA-N 0 3 350.194 1.125 20 5 FDBDHN NC1(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCCC1 ZINC000592566436 552010001 /nfs/dbraw/zinc/01/00/01/552010001.db2.gz OCPMXASSQXWZCQ-UHFFFAOYSA-N 0 3 372.429 1.781 20 5 FDBDHN CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694618 552019279 /nfs/dbraw/zinc/01/92/79/552019279.db2.gz JNIRQIUIZKSADT-MRXNPFEDSA-N 0 3 372.429 1.698 20 5 FDBDHN CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592831697 552033271 /nfs/dbraw/zinc/03/32/71/552033271.db2.gz NSWISUAIOKJEPQ-CQSZACIVSA-N 0 3 358.402 1.732 20 5 FDBDHN CCCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832786 552033574 /nfs/dbraw/zinc/03/35/74/552033574.db2.gz WCMOMIMDGWGKOQ-BBRMVZONSA-N 0 3 362.430 1.656 20 5 FDBDHN CCCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832787 552033611 /nfs/dbraw/zinc/03/36/11/552033611.db2.gz WCMOMIMDGWGKOQ-CJNGLKHVSA-N 0 3 362.430 1.656 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592870428 552037067 /nfs/dbraw/zinc/03/70/67/552037067.db2.gz DLHDWTBGRSTRME-LLVKDONJSA-N 0 3 368.821 1.749 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592870429 552037081 /nfs/dbraw/zinc/03/70/81/552037081.db2.gz DLHDWTBGRSTRME-NSHDSACASA-N 0 3 368.821 1.749 20 5 FDBDHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000592873661 552037621 /nfs/dbraw/zinc/03/76/21/552037621.db2.gz QEISQDLHSUJZJF-GFCCVEGCSA-N 0 3 364.402 1.104 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898943 552040602 /nfs/dbraw/zinc/04/06/02/552040602.db2.gz OJQTYAWFSJRHFJ-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566138 552136630 /nfs/dbraw/zinc/13/66/30/552136630.db2.gz JWTMEFXNGWVEMO-CYBMUJFWSA-N 0 3 356.448 1.636 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566138 552136631 /nfs/dbraw/zinc/13/66/31/552136631.db2.gz JWTMEFXNGWVEMO-CYBMUJFWSA-N 0 3 356.448 1.636 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594201708 552263858 /nfs/dbraw/zinc/26/38/58/552263858.db2.gz PUWDSDDIWWTVRX-SJORKVTESA-N 0 3 374.441 1.848 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594418406 552306613 /nfs/dbraw/zinc/30/66/13/552306613.db2.gz IMRSKAHCURTKOZ-JKSUJKDBSA-N 0 3 360.414 1.458 20 5 FDBDHN Cn1cc(C(=O)N[C@H](CN)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594451017 552313167 /nfs/dbraw/zinc/31/31/67/552313167.db2.gz BXBRTERZPBONMX-LLVKDONJSA-N 0 3 357.292 1.615 20 5 FDBDHN NC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000594450675 552313258 /nfs/dbraw/zinc/31/32/58/552313258.db2.gz NKVZIFASJPZEHL-VIFPVBQESA-N 0 3 370.125 1.906 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594596998 552338962 /nfs/dbraw/zinc/33/89/62/552338962.db2.gz BWLVRHWAIMGRBN-GXTWGEPZSA-N 0 3 354.432 1.671 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595385255 552544733 /nfs/dbraw/zinc/54/47/33/552544733.db2.gz XMJSDWYVMPWJCI-CQSZACIVSA-N 0 3 369.443 1.123 20 5 FDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595592868 552589573 /nfs/dbraw/zinc/58/95/73/552589573.db2.gz RTXPPGCNKKRSOX-IAGOWNOFSA-N 0 3 360.410 1.870 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595631490 552595462 /nfs/dbraw/zinc/59/54/62/552595462.db2.gz JCWBGDLPWPJJLU-XKQJLSEDSA-N 0 3 365.430 1.713 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)[C@@H](CN)C(F)(F)F ZINC000595907969 552631647 /nfs/dbraw/zinc/63/16/47/552631647.db2.gz LESKMPNYQIGVGA-UFBFGSQYSA-N 0 3 364.324 1.752 20 5 FDBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOC2(CNC2)C1 ZINC000596097287 552654947 /nfs/dbraw/zinc/65/49/47/552654947.db2.gz DLLPEMIJRPBFML-UHFFFAOYSA-N 0 3 360.395 1.533 20 5 FDBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596098863 552655055 /nfs/dbraw/zinc/65/50/55/552655055.db2.gz OSUDQKQYJXCCKV-UHFFFAOYSA-N 0 3 356.176 1.172 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596168176 552661656 /nfs/dbraw/zinc/66/16/56/552661656.db2.gz MAFMSCILIZOTFR-LBPRGKRZSA-N 0 3 353.810 1.386 20 5 FDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000596817853 552713938 /nfs/dbraw/zinc/71/39/38/552713938.db2.gz SVBCPNHLMOZMKV-UHFFFAOYSA-N 0 3 370.413 1.840 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000597403236 552784745 /nfs/dbraw/zinc/78/47/45/552784745.db2.gz YMHPMBFSYRYINV-OAHLLOKOSA-N 0 3 374.441 1.686 20 5 FDBDHN Cn1c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000597991814 552853425 /nfs/dbraw/zinc/85/34/25/552853425.db2.gz SFURTOJPZNMOKY-OAHLLOKOSA-N 0 3 358.398 1.430 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598536218 552906960 /nfs/dbraw/zinc/90/69/60/552906960.db2.gz OVVNUKRYQDHWCE-GFCCVEGCSA-N 0 3 351.407 1.044 20 5 FDBDHN Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598569127 552910456 /nfs/dbraw/zinc/91/04/56/552910456.db2.gz ASVLRMMSEUDKLC-HNNXBMFYSA-N 0 3 358.402 1.554 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598638027 552919039 /nfs/dbraw/zinc/91/90/39/552919039.db2.gz PCIVPQHFOKMXCK-AWEZNQCLSA-N 0 3 364.450 1.754 20 5 FDBDHN C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069589 552964658 /nfs/dbraw/zinc/96/46/58/552964658.db2.gz HWLGIAJLJQSIBZ-OCCSQVGLSA-N 0 3 353.386 1.962 20 5 FDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599111072 552969282 /nfs/dbraw/zinc/96/92/82/552969282.db2.gz ZLVNBQMUXXCOOB-WRWORJQWSA-N 0 3 364.221 1.386 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NC[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000599683909 553120967 /nfs/dbraw/zinc/12/09/67/553120967.db2.gz XRKKZIFSKDFOAY-SLEUVZQESA-N 0 3 364.358 1.146 20 5 FDBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599937688 553178547 /nfs/dbraw/zinc/17/85/47/553178547.db2.gz IAUZPUPEPQWFLJ-UONOGXRCSA-N 0 3 365.405 1.679 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000600208134 553230894 /nfs/dbraw/zinc/23/08/94/553230894.db2.gz JSBJFBMTOHYOQJ-MISXGVKJSA-N 0 3 355.416 1.477 20 5 FDBDHN Cn1c(=O)oc2ccc(CNC[C@@H](O)COc3ccccc3[N+](=O)[O-])cc21 ZINC000600757232 553312052 /nfs/dbraw/zinc/31/20/52/553312052.db2.gz RFAXILYRZYYCGM-CYBMUJFWSA-N 0 3 373.365 1.569 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601038927 553342606 /nfs/dbraw/zinc/34/26/06/553342606.db2.gz ZIWXCRLBHIEPHN-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCn1cc(Br)cn1 ZINC000602827203 553645795 /nfs/dbraw/zinc/64/57/95/553645795.db2.gz BFVFPGYYDCRYOQ-UHFFFAOYSA-N 0 3 357.212 1.691 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 ZINC000602945611 553676477 /nfs/dbraw/zinc/67/64/77/553676477.db2.gz ZBWIVGXHSYRHMP-AWEZNQCLSA-N 0 3 364.377 1.835 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603428473 553786241 /nfs/dbraw/zinc/78/62/41/553786241.db2.gz NWVXWWZIEZCQNT-LPHOPBHVSA-N 0 3 374.485 1.968 20 5 FDBDHN CCCC(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000603682480 553809982 /nfs/dbraw/zinc/80/99/82/553809982.db2.gz UGFYTPFCSBFCSR-MRXNPFEDSA-N 0 3 365.430 1.715 20 5 FDBDHN COCCNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604472825 553879544 /nfs/dbraw/zinc/87/95/44/553879544.db2.gz YHTWWHMSXXTXJB-UHFFFAOYSA-N 0 3 351.403 1.448 20 5 FDBDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000604519436 553884038 /nfs/dbraw/zinc/88/40/38/553884038.db2.gz KUOVXIRRYHBSML-ZDUSSCGKSA-N 0 3 366.418 1.803 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000609182369 554347392 /nfs/dbraw/zinc/34/73/92/554347392.db2.gz UDDKRGRCLUCYPL-UHFFFAOYSA-N 0 3 360.414 1.846 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383613 554373393 /nfs/dbraw/zinc/37/33/93/554373393.db2.gz WTVPKIVQKUTMDR-OAHLLOKOSA-N 0 3 360.414 1.315 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000609383296 554373450 /nfs/dbraw/zinc/37/34/50/554373450.db2.gz LGBPNJXWZVMKPN-HNNXBMFYSA-N 0 3 361.398 1.986 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000609533532 554388863 /nfs/dbraw/zinc/38/88/63/554388863.db2.gz RUIHBOSBHMEFRA-MLGOLLRUSA-N 0 3 360.414 1.408 20 5 FDBDHN CNc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000609710508 554415137 /nfs/dbraw/zinc/41/51/37/554415137.db2.gz TUMJYSBZGXDDDM-AWEZNQCLSA-N 0 3 350.419 1.459 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000610654040 554544946 /nfs/dbraw/zinc/54/49/46/554544946.db2.gz DELBNFFWWRYJSM-NEPJUHHUSA-N 0 3 374.397 1.062 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000611197635 554614623 /nfs/dbraw/zinc/61/46/23/554614623.db2.gz USFORBABNXRPGN-UHFFFAOYSA-N 0 3 373.413 1.846 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000618923062 555696354 /nfs/dbraw/zinc/69/63/54/555696354.db2.gz CHZBIPPDAKOGGK-MRXNPFEDSA-N 0 3 353.444 1.845 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000619578226 555802300 /nfs/dbraw/zinc/80/23/00/555802300.db2.gz DIWRISIQQRHZHY-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000291632892 568232780 /nfs/dbraw/zinc/23/27/80/568232780.db2.gz DMKNYLJVNFXQEF-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN CCN1CCN(CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272451982 674446363 /nfs/dbraw/zinc/44/63/63/674446363.db2.gz JQNYVOPLPWNWNP-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272848135 674480858 /nfs/dbraw/zinc/48/08/58/674480858.db2.gz OCJXORMLODUWRZ-BZNIZROVSA-N 0 3 365.411 1.626 20 5 FDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1=CCN(C)CC1 ZINC000272992807 674495513 /nfs/dbraw/zinc/49/55/13/674495513.db2.gz QIYJYHCNVCNRAA-NSHDSACASA-N 0 3 367.427 1.379 20 5 FDBDHN CCOCCO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273091678 674504744 /nfs/dbraw/zinc/50/47/44/674504744.db2.gz CPUOGFMOYFQJEX-CABCVRRESA-N 0 3 354.403 1.462 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639909 606165376 /nfs/dbraw/zinc/16/53/76/606165376.db2.gz LONXRQLLLULGQA-UHFFFAOYSA-N 0 3 359.390 1.076 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273536509 674546495 /nfs/dbraw/zinc/54/64/95/674546495.db2.gz DDONMCHOULZNCC-UHFFFAOYSA-N 0 3 371.459 1.250 20 5 FDBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000298528319 676472530 /nfs/dbraw/zinc/47/25/30/676472530.db2.gz LZDDRKOYQBKXLV-ZDUSSCGKSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000299042941 676513407 /nfs/dbraw/zinc/51/34/07/676513407.db2.gz DIUVTRFEONUMSE-OLZOCXBDSA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000299367123 676531019 /nfs/dbraw/zinc/53/10/19/676531019.db2.gz QAKNTFHWIHTWQH-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN COCCCN1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000362946673 676928001 /nfs/dbraw/zinc/92/80/01/676928001.db2.gz YUIQENYCIARFTF-UHFFFAOYSA-N 0 3 351.403 1.788 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000364922502 677064399 /nfs/dbraw/zinc/06/43/99/677064399.db2.gz NGKDXXYRJANDEA-GFCCVEGCSA-N 0 3 355.366 1.028 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000366191198 677420494 /nfs/dbraw/zinc/42/04/94/677420494.db2.gz FGWMHLAHWYLFEF-LBPRGKRZSA-N 0 3 351.407 1.254 20 5 FDBDHN Cc1csc(N2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000371797939 677782088 /nfs/dbraw/zinc/78/20/88/677782088.db2.gz XDJJZNKHOOVYMW-CQSZACIVSA-N 0 3 366.447 1.129 20 5 FDBDHN COC1([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421035836 680592153 /nfs/dbraw/zinc/59/21/53/680592153.db2.gz PKNWLGJTWGUKSW-CYBMUJFWSA-N 0 3 351.403 1.731 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)n1 ZINC000427697066 680981587 /nfs/dbraw/zinc/98/15/87/680981587.db2.gz LTVXSFWZHLFSTN-AAEUAGOBSA-N 0 3 353.448 1.463 20 5 FDBDHN O=C1CC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CCN1 ZINC000449704925 682702545 /nfs/dbraw/zinc/70/25/45/682702545.db2.gz WSVZDUWNWKAFIM-CQSZACIVSA-N 0 3 350.394 1.520 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000451426074 682878879 /nfs/dbraw/zinc/87/88/79/682878879.db2.gz HZFCNNNYRQLGPO-OAHLLOKOSA-N 0 3 359.329 1.634 20 5 FDBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451484473 682887392 /nfs/dbraw/zinc/88/73/92/682887392.db2.gz BSZXOTVSGCDGQU-UONOGXRCSA-N 0 3 351.359 1.665 20 5 FDBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475708019 685630271 /nfs/dbraw/zinc/63/02/71/685630271.db2.gz FDLYCWBGHYBWOH-HIFRSBDPSA-N 0 3 352.387 1.739 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C[C@@H]21 ZINC000456160288 683579349 /nfs/dbraw/zinc/57/93/49/683579349.db2.gz GIAKBYDAXRVBST-RISCZKNCSA-N 0 3 351.428 1.455 20 5 FDBDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000458624399 684294569 /nfs/dbraw/zinc/29/45/69/684294569.db2.gz RTUSDXQLCUVRFV-ZIAGYGMSSA-N 0 3 350.419 1.802 20 5 FDBDHN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCNCC1 ZINC000470013990 684999383 /nfs/dbraw/zinc/99/93/83/684999383.db2.gz TVWXYJIETQRJDN-AWEZNQCLSA-N 0 3 350.394 1.378 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472546361 685218979 /nfs/dbraw/zinc/21/89/79/685218979.db2.gz IRRNGHOAMYYVLP-NSHDSACASA-N 0 3 352.366 1.663 20 5 FDBDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000478423859 685905851 /nfs/dbraw/zinc/90/58/51/685905851.db2.gz YCOHFTXMYJYRKT-NSHDSACASA-N 0 3 353.404 1.132 20 5 FDBDHN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)CCN(C)C ZINC000480095935 686128067 /nfs/dbraw/zinc/12/80/67/686128067.db2.gz URUJFDWUBNKMMG-NSHDSACASA-N 0 3 372.447 1.059 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486108911 686835646 /nfs/dbraw/zinc/83/56/46/686835646.db2.gz LQWSSAIFJWBXJX-LLVKDONJSA-N 0 3 357.357 1.643 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1N(C)C ZINC000537924920 694910037 /nfs/dbraw/zinc/91/00/37/694910037.db2.gz WRBQINNRXMJIFA-FZMZJTMJSA-N 0 3 353.400 1.441 20 5 FDBDHN COc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164761014 721093552 /nfs/dbraw/zinc/09/35/52/721093552.db2.gz AJGRRCRRBCWQJA-LSDHHAIUSA-N 0 3 372.429 1.690 20 5 FDBDHN O=C1[C@@H](N[C@H]2CCOC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934401403 782626190 /nfs/dbraw/zinc/62/61/90/782626190.db2.gz WKIRUODUQQODET-HOTGVXAUSA-N 0 3 361.398 1.628 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632447 771282695 /nfs/dbraw/zinc/28/26/95/771282695.db2.gz QZKUITFYEMTZGR-NVXWUHKLSA-N 0 3 372.425 1.546 20 5 FDBDHN CCNc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000472083210 781499533 /nfs/dbraw/zinc/49/95/33/781499533.db2.gz CIYGKPFNUUDGKP-AWEZNQCLSA-N 0 3 363.462 1.782 20 5 FDBDHN CCN(CCO)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277374925 781602724 /nfs/dbraw/zinc/60/27/24/781602724.db2.gz ZQTWCHHPUXGWQA-UHFFFAOYSA-N 0 3 368.390 1.126 20 5 FDBDHN CNC(=O)c1ccc(N2CCN(C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000377083590 791041449 /nfs/dbraw/zinc/04/14/49/791041449.db2.gz OJIJGOBVOOWCRJ-CYBMUJFWSA-N 0 3 362.430 1.644 20 5 FDBDHN NCc1nn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])c2ccccc12 ZINC001167697392 787797630 /nfs/dbraw/zinc/79/76/30/787797630.db2.gz XCXACVATXYPRLQ-UHFFFAOYSA-N 0 3 355.358 1.019 20 5 FDBDHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000892819866 791334252 /nfs/dbraw/zinc/33/42/52/791334252.db2.gz SYVVNESPYQJGMF-ILXRZTDVSA-N 0 3 362.430 1.861 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000363924024 794583036 /nfs/dbraw/zinc/58/30/36/794583036.db2.gz UKQCCVWYUHGCKO-OAHLLOKOSA-N 0 3 361.446 1.418 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418785556 809205449 /nfs/dbraw/zinc/20/54/49/809205449.db2.gz RCLHMRQDGATSRN-COPLHBTASA-N 0 3 364.402 1.001 20 5 FDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000420616682 813757421 /nfs/dbraw/zinc/75/74/21/813757421.db2.gz SRFKPMCBIAHDTQ-LSDHHAIUSA-N 0 3 370.409 1.741 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1(OC)CCOCC1 ZINC000421024602 813923631 /nfs/dbraw/zinc/92/36/31/813923631.db2.gz CJBGIQVBWJENEQ-LBPRGKRZSA-N 0 3 367.402 1.716 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000422106968 814396096 /nfs/dbraw/zinc/39/60/96/814396096.db2.gz SAMFEQQPNFBHFJ-QGZVFWFLSA-N 0 3 374.441 1.638 20 5 FDBDHN COc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000506009842 816979137 /nfs/dbraw/zinc/97/91/37/816979137.db2.gz NAAKDWXPUTWMPT-HNNXBMFYSA-N 0 3 374.401 1.148 20 5 FDBDHN COc1c([O-])ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000895457849 822608488 /nfs/dbraw/zinc/60/84/88/822608488.db2.gz UPTJUHSYDTWSME-AWEZNQCLSA-N 0 3 351.403 1.340 20 5 FDBDHN COc1c([O-])ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000895457849 822608490 /nfs/dbraw/zinc/60/84/90/822608490.db2.gz UPTJUHSYDTWSME-AWEZNQCLSA-N 0 3 351.403 1.340 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524946874 828487205 /nfs/dbraw/zinc/48/72/05/828487205.db2.gz HFWWVHNMWNBHIX-GOSISDBHSA-N 0 3 371.397 1.138 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448910944 829304926 /nfs/dbraw/zinc/30/49/26/829304926.db2.gz PHEBFVPMZMAJAH-OAHLLOKOSA-N 0 3 373.413 1.826 20 5 FDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000451588544 830402414 /nfs/dbraw/zinc/40/24/14/830402414.db2.gz QMOAOHLDQJSNDP-OLZOCXBDSA-N 0 3 365.386 1.863 20 5 FDBDHN CC(C)(C(=O)NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452363333 830633563 /nfs/dbraw/zinc/63/35/63/830633563.db2.gz LUBHAIGFPWPFTA-CQSZACIVSA-N 0 3 367.421 1.975 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000843794941 840715812 /nfs/dbraw/zinc/71/58/12/840715812.db2.gz ZYMKCXCVVVZGMA-UHFFFAOYSA-N 0 3 352.410 1.752 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000480299320 845018289 /nfs/dbraw/zinc/01/82/89/845018289.db2.gz CLYUPULUIAIZNY-MAUKXSAKSA-N 0 3 366.414 1.604 20 5 FDBDHN CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCC1 ZINC000906072461 852557592 /nfs/dbraw/zinc/55/75/92/852557592.db2.gz KIVICNWIVMBULP-UHFFFAOYSA-N 0 3 361.446 1.903 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906616735 853054033 /nfs/dbraw/zinc/05/40/33/853054033.db2.gz ODGDNJBTSJVNCZ-ZDUSSCGKSA-N 0 3 361.398 1.970 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc1C ZINC000907548165 854346979 /nfs/dbraw/zinc/34/69/79/854346979.db2.gz OFODBZDADGFUBA-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910281966 857028292 /nfs/dbraw/zinc/02/82/92/857028292.db2.gz NZOZAQONTNHPMB-TZMCWYRMSA-N 0 3 366.466 1.770 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000911546146 858746834 /nfs/dbraw/zinc/74/68/34/858746834.db2.gz SIOFYRSRVMEWNR-SECBINFHSA-N 0 3 372.784 1.579 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249477380 860155202 /nfs/dbraw/zinc/15/52/02/860155202.db2.gz AGOOIYCNMDRODP-HUUCEWRRSA-N 0 3 364.446 1.619 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272590910 877996256 /nfs/dbraw/zinc/99/62/56/877996256.db2.gz HUQVZYPJPPTQNV-LRDDRELGSA-N 0 3 356.386 1.342 20 5 FDBDHN CCOc1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001034644758 884607182 /nfs/dbraw/zinc/60/71/82/884607182.db2.gz LRKNYSCTKUCBBU-DDHJBXDOSA-N 0 3 369.447 1.119 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(CCn3cc(Cl)cn3)C2)CC1 ZINC001035704152 886329611 /nfs/dbraw/zinc/32/96/11/886329611.db2.gz FNVQDVIPPCNYFY-ZIAGYGMSSA-N 0 3 367.837 1.126 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000919985251 886508322 /nfs/dbraw/zinc/50/83/22/886508322.db2.gz CSJCTHIFVRTGRQ-UHFFFAOYSA-N 0 3 359.430 1.883 20 5 FDBDHN C[C@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000920450092 886943213 /nfs/dbraw/zinc/94/32/13/886943213.db2.gz GHKXUJOEKGECKP-HUUCEWRRSA-N 0 3 363.462 1.839 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNCCC1(F)F ZINC000842893137 907398481 /nfs/dbraw/zinc/39/84/81/907398481.db2.gz IFFNIRNSJZPRMN-NSHDSACASA-N 0 3 369.777 1.832 20 5 FDBDHN C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1=CCN(C)CC1 ZINC000273162276 911154956 /nfs/dbraw/zinc/15/49/56/911154956.db2.gz ZTTUEUAYCWQOSK-YVEFUNNKSA-N 0 3 358.398 1.854 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734243152 923122824 /nfs/dbraw/zinc/12/28/24/923122824.db2.gz VEKVJAYPKDUVEB-ZDUSSCGKSA-N 0 3 365.434 1.644 20 5 FDBDHN CCCc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086083374 925918620 /nfs/dbraw/zinc/91/86/20/925918620.db2.gz WSOJNLYKGNMFHG-ZMJPVWNMSA-N 0 3 352.460 1.745 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000746045339 927566876 /nfs/dbraw/zinc/56/68/76/927566876.db2.gz FCCRLKNFGUNWQL-JTQLQIEISA-N 0 3 354.794 1.645 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000770171821 929912580 /nfs/dbraw/zinc/91/25/80/929912580.db2.gz FMSRYSDNIANHJI-CYBMUJFWSA-N 0 3 368.409 1.255 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000815704134 941945321 /nfs/dbraw/zinc/94/53/21/941945321.db2.gz XQLQGFHSOSYKQB-RNCFNFMXSA-N 0 3 352.778 1.349 20 5 FDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1NCCc2ccccc21 ZINC000818589646 943299188 /nfs/dbraw/zinc/29/91/88/943299188.db2.gz FJECFEPQEUXWCK-QGZVFWFLSA-N 0 3 365.393 1.948 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000819825882 943749254 /nfs/dbraw/zinc/74/92/54/943749254.db2.gz YSWHEJUYBOJHDS-JKSUJKDBSA-N 0 3 374.441 1.476 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000820085108 943885061 /nfs/dbraw/zinc/88/50/61/943885061.db2.gz CBBAJYHYPPTWAX-FOLVSLTJSA-N 0 3 355.398 1.671 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000844762761 948371693 /nfs/dbraw/zinc/37/16/93/948371693.db2.gz ZYEDKNXQDPYDHD-WYMLVPIESA-N 0 3 360.414 1.231 20 5 FDBDHN CC([C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874030 950045994 /nfs/dbraw/zinc/04/59/94/950045994.db2.gz GQDURRDWBJVHCI-UEKVPHQBSA-N 0 3 359.375 1.900 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148882113 952822915 /nfs/dbraw/zinc/82/29/15/952822915.db2.gz LKKJPTGGRMFTOJ-CQSZACIVSA-N 0 3 362.430 1.892 20 5 FDBDHN COC1(OC)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC001197315523 972192691 /nfs/dbraw/zinc/19/26/91/972192691.db2.gz JVBGXSAZIUXRAS-HNNXBMFYSA-N 0 3 367.402 1.288 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[C@H]1CCOC1 ZINC001171510631 961210419 /nfs/dbraw/zinc/21/04/19/961210419.db2.gz KCGJGMHTMIBRHX-ZDUSSCGKSA-N 0 3 357.432 1.232 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCC[C@H](O)C2)CC1 ZINC001173696998 962585314 /nfs/dbraw/zinc/58/53/14/962585314.db2.gz YVAKIDUITYYODK-AWEZNQCLSA-N 0 3 369.443 1.205 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC(=O)CC1(C)C ZINC001175381902 963181788 /nfs/dbraw/zinc/18/17/88/963181788.db2.gz LLGHKIWXQOMHBC-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN O=C([C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000776574652 967132423 /nfs/dbraw/zinc/13/24/23/967132423.db2.gz KIESLCMRIUFRSX-NVXWUHKLSA-N 0 3 363.414 1.199 20 5 FDBDHN COCCCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580537 967182446 /nfs/dbraw/zinc/18/24/46/967182446.db2.gz WDOAMCUEIQJPFC-QGZVFWFLSA-N 0 3 365.430 1.493 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000852918810 967708076 /nfs/dbraw/zinc/70/80/76/967708076.db2.gz JCFIQUGFTAIADA-UHFFFAOYSA-N 0 3 372.385 1.079 20 5 FDBDHN CCN1CCN(CCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000853153390 967866931 /nfs/dbraw/zinc/86/69/31/967866931.db2.gz OYDISASFCUBDAA-UHFFFAOYSA-N 0 3 367.406 1.353 20 5 FDBDHN CN(C)CC1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000853651672 968225399 /nfs/dbraw/zinc/22/53/99/968225399.db2.gz KUMUOUNHGXJAFU-UHFFFAOYSA-N 0 3 367.349 1.886 20 5 FDBDHN Cc1noc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)c1[N+](=O)[O-] ZINC000853888977 968404853 /nfs/dbraw/zinc/40/48/53/968404853.db2.gz LNLLXBZTUUZVOY-SVRRBLITSA-N 0 3 351.237 1.392 20 5 FDBDHN C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000865802530 974506965 /nfs/dbraw/zinc/50/69/65/974506965.db2.gz KEWYQJFWKYFSME-CYBMUJFWSA-N 0 3 352.410 1.276 20 5 FDBDHN CNC(=O)c1ccc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866214177 975491996 /nfs/dbraw/zinc/49/19/96/975491996.db2.gz LLLQBRMEUVQWJO-UHFFFAOYSA-N 0 3 361.446 1.171 20 5 FDBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000867864283 977000504 /nfs/dbraw/zinc/00/05/04/977000504.db2.gz UACOAHRWJYJXDW-UHFFFAOYSA-N 0 3 370.475 1.978 20 5 FDBDHN Cc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1Br ZINC000848765499 977076317 /nfs/dbraw/zinc/07/63/17/977076317.db2.gz BRFVPNTUGIXDPZ-WDEREUQCSA-N 0 3 356.220 1.921 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849510670 977706320 /nfs/dbraw/zinc/70/63/20/977706320.db2.gz KUEYCXFUEPZCCN-IAGOWNOFSA-N 0 3 357.414 1.680 20 5 FDBDHN Cc1c(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000849581919 977784389 /nfs/dbraw/zinc/78/43/89/977784389.db2.gz JKZNVRIUVGRVBD-DLBZAZTESA-N 0 3 371.441 1.988 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000861825385 983941913 /nfs/dbraw/zinc/94/19/13/983941913.db2.gz RUEKSAVNQBTGRX-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000884960172 985006743 /nfs/dbraw/zinc/00/67/43/985006743.db2.gz SIZOEAFYDSJYPS-VXGBXAGGSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000884960172 985006752 /nfs/dbraw/zinc/00/67/52/985006752.db2.gz SIZOEAFYDSJYPS-VXGBXAGGSA-N 0 3 357.407 1.947 20 5 FDBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000886360549 986098533 /nfs/dbraw/zinc/09/85/33/986098533.db2.gz XZBLKPHSXUTAAZ-BLLLJJGKSA-N 0 3 352.387 1.993 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000886911940 986733734 /nfs/dbraw/zinc/73/37/34/986733734.db2.gz GITPHUWRMLFWAS-GOEBONIOSA-N 0 3 363.414 1.515 20 5 FDBDHN Nc1c(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575899 987453623 /nfs/dbraw/zinc/45/36/23/987453623.db2.gz TWFRWJLHCXRDET-GHMZBOCLSA-N 0 3 369.809 1.815 20 5 FDBDHN O=C(CCN1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292905348 987928796 /nfs/dbraw/zinc/92/87/96/987928796.db2.gz GVXJFKFOZTYSMB-AWEZNQCLSA-N 0 3 374.401 1.344 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000363209036 988995210 /nfs/dbraw/zinc/99/52/10/988995210.db2.gz IKISGLQWLHIQGL-OAHLLOKOSA-N 0 3 364.377 1.288 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363718057 989406886 /nfs/dbraw/zinc/40/68/86/989406886.db2.gz IGXJDCZTMOCRIB-CYBMUJFWSA-N 0 3 364.358 1.486 20 5 FDBDHN CCN1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cnn(C)c1 ZINC000370410423 989722749 /nfs/dbraw/zinc/72/27/49/989722749.db2.gz OMWAPSMUYCJLNU-SWLSCSKDSA-N 0 3 374.449 1.610 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000370415806 989726759 /nfs/dbraw/zinc/72/67/59/989726759.db2.gz PVWZMTMCNCWEAB-CYBMUJFWSA-N 0 3 364.450 1.121 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298278446 990007270 /nfs/dbraw/zinc/00/72/70/990007270.db2.gz NRAKAICWUPPGFP-UHFFFAOYSA-N 0 3 374.441 1.638 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000298587126 990180231 /nfs/dbraw/zinc/18/02/31/990180231.db2.gz SLYCEKKYXFDQON-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCCC1 ZINC000371284959 990337208 /nfs/dbraw/zinc/33/72/08/990337208.db2.gz WEOOPVKIBGCYME-HNNXBMFYSA-N 0 3 362.430 1.481 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000874833606 990557665 /nfs/dbraw/zinc/55/76/65/990557665.db2.gz MJQYXEUZUQTJQO-CVEARBPZSA-N 0 3 374.441 1.740 20 5 FDBDHN CN1CC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372406603 991082616 /nfs/dbraw/zinc/08/26/16/991082616.db2.gz XSBKFPSJGJNUFM-YOEHRIQHSA-N 0 3 355.398 1.995 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467721021 993362293 /nfs/dbraw/zinc/36/22/93/993362293.db2.gz RMAUMAKSDFIIET-YVEFUNNKSA-N 0 3 355.398 1.993 20 5 FDBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889738747 998558130 /nfs/dbraw/zinc/55/81/30/998558130.db2.gz BNPLOPRBSVUJME-TVFCKZIOSA-N 0 3 359.426 1.756 20 5 FDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889751960 998594411 /nfs/dbraw/zinc/59/44/11/998594411.db2.gz SUTQWANSQWQBII-XWTMOSNGSA-N 0 3 359.426 1.756 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889774281 998642486 /nfs/dbraw/zinc/64/24/86/998642486.db2.gz NTXKPQSATGCXGD-CABCVRRESA-N 0 3 363.414 1.421 20 5 FDBDHN CCOc1ccc([C@@H](COC)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284848413 999872961 /nfs/dbraw/zinc/87/29/61/999872961.db2.gz TVXGSKLEFQEMDG-NVXWUHKLSA-N 0 3 364.402 1.528 20 5 FDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000286015844 999931468 /nfs/dbraw/zinc/93/14/68/999931468.db2.gz JODJHRKVTGFQKX-CQSZACIVSA-N 0 3 361.402 1.678 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000928433777 1001520398 /nfs/dbraw/zinc/52/03/98/1001520398.db2.gz UVMVSOCXITUHPG-XJKSGUPXSA-N 0 3 357.414 1.970 20 5 FDBDHN Cn1ccc([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000932139936 1004789929 /nfs/dbraw/zinc/78/99/29/1004789929.db2.gz SZJXSBNKIXLBAS-ZBFHGGJFSA-N 0 3 360.414 1.948 20 5 FDBDHN Cn1ccc([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000932139933 1004790243 /nfs/dbraw/zinc/79/02/43/1004790243.db2.gz SZJXSBNKIXLBAS-GDBMZVCRSA-N 0 3 360.414 1.948 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000932693626 1005102202 /nfs/dbraw/zinc/10/22/02/1005102202.db2.gz QBSKFJQMGSTSPQ-UHFFFAOYSA-N 0 3 361.402 1.816 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000932832749 1005204515 /nfs/dbraw/zinc/20/45/15/1005204515.db2.gz OKFXJQWRNZWJQR-ZDUSSCGKSA-N 0 3 353.806 1.711 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000932841388 1005210916 /nfs/dbraw/zinc/21/09/16/1005210916.db2.gz XMADSQSOCOXTCA-ZDUSSCGKSA-N 0 3 353.806 1.711 20 5 FDBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000933250432 1005525920 /nfs/dbraw/zinc/52/59/20/1005525920.db2.gz DLDRPSVMCGOGCK-HZPDHXFCSA-N 0 3 351.447 1.997 20 5 FDBDHN CN1CCN(C)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000933992543 1005673934 /nfs/dbraw/zinc/67/39/34/1005673934.db2.gz HLZZSAUDGVHXDD-UHFFFAOYSA-N 0 3 360.418 1.324 20 5 FDBDHN COc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)c1 ZINC000795376959 1006392658 /nfs/dbraw/zinc/39/26/58/1006392658.db2.gz HEXZFBQTOBQJTG-UHFFFAOYSA-N 0 3 359.386 1.721 20 5 FDBDHN O=C(NC1CC2(CC(NCc3nc(C(F)F)no3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000963787289 1012694906 /nfs/dbraw/zinc/69/49/06/1012694906.db2.gz IRXIBUIZIPYKFN-INRSQXBPSA-N 0 3 371.344 1.189 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCNCC1 ZINC000236615978 178276832 /nfs/dbraw/zinc/27/68/32/178276832.db2.gz LARMEURVVPHSPO-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000237840643 178332953 /nfs/dbraw/zinc/33/29/53/178332953.db2.gz QGCONHMKFOYWTO-MRXNPFEDSA-N 0 3 360.414 1.330 20 5 FDBDHN CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518942191 539459361 /nfs/dbraw/zinc/45/93/61/539459361.db2.gz ZXTQRABYSDNMOV-OLZOCXBDSA-N 0 3 364.402 1.250 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000264899271 179233933 /nfs/dbraw/zinc/23/39/33/179233933.db2.gz LCCYBWXLMDRNQX-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000265268216 179326115 /nfs/dbraw/zinc/32/61/15/179326115.db2.gz GADIQRGFPOASBF-UHFFFAOYSA-N 0 3 368.821 1.531 20 5 FDBDHN CN1CCC(O)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268199470 180023104 /nfs/dbraw/zinc/02/31/04/180023104.db2.gz XVJPXNKAWCHWBQ-UHFFFAOYSA-N 0 3 356.810 1.504 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269246639 180253262 /nfs/dbraw/zinc/25/32/62/180253262.db2.gz UZSMWYVGKHESBA-GXTWGEPZSA-N 0 3 361.398 1.922 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000530652293 540016448 /nfs/dbraw/zinc/01/64/48/540016448.db2.gz HBHXTQXHZIMTHL-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274562141 181122828 /nfs/dbraw/zinc/12/28/28/181122828.db2.gz DBTBAAUQUCZQJX-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CCOC(=O)[C@](C)(O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000274689794 181146521 /nfs/dbraw/zinc/14/65/21/181146521.db2.gz ZWRKPRVOQNIKTI-QGZVFWFLSA-N 0 3 352.387 1.752 20 5 FDBDHN COc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000532397041 540159280 /nfs/dbraw/zinc/15/92/80/540159280.db2.gz PYOBQRAJBRIVJR-UHFFFAOYSA-N 0 3 370.365 1.597 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000275328028 181291013 /nfs/dbraw/zinc/29/10/13/181291013.db2.gz YRZPWOPPLGJEIZ-CHWSQXEVSA-N 0 3 373.406 1.648 20 5 FDBDHN O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934264441 781935652 /nfs/dbraw/zinc/93/56/52/781935652.db2.gz OFQCSXAJJCDQFK-ROUUACIJSA-N 0 3 374.441 1.015 20 5 FDBDHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934264440 781935835 /nfs/dbraw/zinc/93/58/35/781935835.db2.gz OFQCSXAJJCDQFK-QZTJIDSGSA-N 0 3 374.441 1.015 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536234556 540570553 /nfs/dbraw/zinc/57/05/53/540570553.db2.gz SIONWEOADVSTTR-KRWDZBQOSA-N 0 3 364.446 1.890 20 5 FDBDHN COC1CCN(C2(CNC(=O)c3nn(C)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000536811637 540652320 /nfs/dbraw/zinc/65/23/20/540652320.db2.gz RCCWWWLFYVUYGU-UHFFFAOYSA-N 0 3 365.434 1.482 20 5 FDBDHN COC[C@@H](CC(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536859949 540654855 /nfs/dbraw/zinc/65/48/55/540654855.db2.gz VHTNESPTZAHKMF-CYBMUJFWSA-N 0 3 359.448 1.524 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)C2CCCCC2)cc1 ZINC000542255680 541366599 /nfs/dbraw/zinc/36/65/99/541366599.db2.gz AQRKYAJIGDSQBR-INIZCTEOSA-N 0 3 356.444 1.899 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000544666015 541804170 /nfs/dbraw/zinc/80/41/70/541804170.db2.gz XJPOVZJRFKNYKL-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN C[C@H](CCn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000545302658 541930049 /nfs/dbraw/zinc/93/00/49/541930049.db2.gz DMJQDIRRXRTCKI-CYBMUJFWSA-N 0 3 352.416 1.633 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286505277 183084203 /nfs/dbraw/zinc/08/42/03/183084203.db2.gz ACFCAPQWRIFUAN-GXTWGEPZSA-N 0 3 369.443 1.851 20 5 FDBDHN CNC(=O)CC[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286630558 183114564 /nfs/dbraw/zinc/11/45/64/183114564.db2.gz YGCKOJOVZSTALF-GDBMZVCRSA-N 0 3 365.430 1.715 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286569674 183099775 /nfs/dbraw/zinc/09/97/75/183099775.db2.gz XMLYVQRXNUGJBE-JSGCOSHPSA-N 0 3 368.459 1.566 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286801706 183149178 /nfs/dbraw/zinc/14/91/78/183149178.db2.gz WNAPRFUXQTYTQW-SNVBAGLBSA-N 0 3 351.432 1.881 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287114585 183215226 /nfs/dbraw/zinc/21/52/26/183215226.db2.gz YQRJBEFNZLMERN-GJZGRUSLSA-N 0 3 354.794 1.519 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295493272 184077100 /nfs/dbraw/zinc/07/71/00/184077100.db2.gz KDSBCHXSIOCYRP-HNNXBMFYSA-N 0 3 360.418 1.826 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296149441 184134964 /nfs/dbraw/zinc/13/49/64/184134964.db2.gz KJYXLZOHTUEHAD-GFCCVEGCSA-N 0 3 352.391 1.572 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000173023537 258289975 /nfs/dbraw/zinc/28/99/75/258289975.db2.gz PVCVNUWPIWCBHM-NSHDSACASA-N 0 3 355.416 1.366 20 5 FDBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548387055 542653656 /nfs/dbraw/zinc/65/36/56/542653656.db2.gz QCGXRGLKETWCIM-OAHLLOKOSA-N 0 3 369.425 2.166 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000548747808 542770429 /nfs/dbraw/zinc/77/04/29/542770429.db2.gz CLQWVADJCQUFRQ-VXGBXAGGSA-N 0 3 351.407 1.279 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000548747804 542770451 /nfs/dbraw/zinc/77/04/51/542770451.db2.gz CLQWVADJCQUFRQ-RYUDHWBXSA-N 0 3 351.407 1.279 20 5 FDBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551431983 543284773 /nfs/dbraw/zinc/28/47/73/543284773.db2.gz AAUSOAJPJDZXGW-UHFFFAOYSA-N 0 3 373.207 1.316 20 5 FDBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000551715702 543327490 /nfs/dbraw/zinc/32/74/90/543327490.db2.gz GXLFAOFDGQKESB-RHSMWYFYSA-N 0 3 373.409 1.767 20 5 FDBDHN CNCCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000070304836 172036374 /nfs/dbraw/zinc/03/63/74/172036374.db2.gz PJIAEZMLRAVGQT-UHFFFAOYSA-N 0 3 352.210 1.197 20 5 FDBDHN CNC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093360484 172317545 /nfs/dbraw/zinc/31/75/45/172317545.db2.gz ALZMLWGKXQJCGZ-AWEZNQCLSA-N 0 3 357.414 1.953 20 5 FDBDHN COc1cc(OCC(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000103451109 172365186 /nfs/dbraw/zinc/36/51/86/172365186.db2.gz UTSPUMGQZYRIOI-UHFFFAOYSA-N 0 3 351.403 1.782 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000126827087 173056150 /nfs/dbraw/zinc/05/61/50/173056150.db2.gz BPOXSOPQUCAVPV-PBHICJAKSA-N 0 3 372.429 1.611 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000127538803 173081181 /nfs/dbraw/zinc/08/11/81/173081181.db2.gz FTYZXFJPQMIXBW-UMVBOHGHSA-N 0 3 362.430 1.654 20 5 FDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CN1CCN(C)CC1 ZINC000137063836 173367978 /nfs/dbraw/zinc/36/79/78/173367978.db2.gz SQUCROXOGNEMJG-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000150720329 173378734 /nfs/dbraw/zinc/37/87/34/173378734.db2.gz UFTBYLYMBASNAV-CYBMUJFWSA-N 0 3 353.444 1.771 20 5 FDBDHN O=C(CCN1CCN(C2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177756524 174155320 /nfs/dbraw/zinc/15/53/20/174155320.db2.gz NTWBDPFGGCJHKU-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181328156 174218257 /nfs/dbraw/zinc/21/82/57/174218257.db2.gz FWNICSAMZXTZBT-UHFFFAOYSA-N 0 3 374.441 1.788 20 5 FDBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CC1 ZINC000181347710 174219228 /nfs/dbraw/zinc/21/92/28/174219228.db2.gz SLILITVGODZSFV-UHFFFAOYSA-N 0 3 362.430 1.646 20 5 FDBDHN COCCNCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000179378885 258349647 /nfs/dbraw/zinc/34/96/47/258349647.db2.gz ATBLXTAVCUPVQW-UHFFFAOYSA-N 0 3 351.812 1.071 20 5 FDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180522499 258370137 /nfs/dbraw/zinc/37/01/37/258370137.db2.gz NORXIBQAVVSYBY-GFCCVEGCSA-N 0 3 367.431 1.392 20 5 FDBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(C)(C)O ZINC000189941491 258388124 /nfs/dbraw/zinc/38/81/24/258388124.db2.gz WAROIDKOEQWVMB-ZDUSSCGKSA-N 0 3 365.430 1.738 20 5 FDBDHN COC(=O)c1cc(C)nc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000553509729 543649157 /nfs/dbraw/zinc/64/91/57/543649157.db2.gz GKBMNWWVFBPCKC-NEPJUHHUSA-N 0 3 354.432 1.567 20 5 FDBDHN Cc1c([C@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000554086078 543745380 /nfs/dbraw/zinc/74/53/80/543745380.db2.gz ULFKDOFGRGJZLP-UONOGXRCSA-N 0 3 370.475 1.825 20 5 FDBDHN Cc1nn(CCC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000554128384 543749109 /nfs/dbraw/zinc/74/91/09/543749109.db2.gz JENDIFWFURUNKV-DVOMOZLQSA-N 0 3 363.462 1.987 20 5 FDBDHN COc1cc(CCNC(=O)CN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000554602623 543834063 /nfs/dbraw/zinc/83/40/63/543834063.db2.gz YTAVMANTSXEUKR-LBPRGKRZSA-N 0 3 351.403 1.613 20 5 FDBDHN O=C(CCN1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000555593364 543983014 /nfs/dbraw/zinc/98/30/14/543983014.db2.gz JRUBYEBXXMVNGD-INIZCTEOSA-N 0 3 374.401 1.344 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnnn1C[C@@H]1CCN(C)C1 ZINC000558012382 544372783 /nfs/dbraw/zinc/37/27/83/544372783.db2.gz GZRGLMBJOJCFQJ-SNVBAGLBSA-N 0 3 352.424 1.209 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301194372 259022821 /nfs/dbraw/zinc/02/28/21/259022821.db2.gz NLKNRWQFLJTULQ-LBPRGKRZSA-N 0 3 368.459 1.932 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000301924568 259036378 /nfs/dbraw/zinc/03/63/78/259036378.db2.gz KZYSACGCPYZQRL-CYBMUJFWSA-N 0 3 366.393 1.661 20 5 FDBDHN CNC(=O)c1ccc(NC(C)(C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000302280437 259041552 /nfs/dbraw/zinc/04/15/52/259041552.db2.gz USFVXJQIGNVMRS-UHFFFAOYSA-N 0 3 363.462 1.782 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455486 259145406 /nfs/dbraw/zinc/14/54/06/259145406.db2.gz OASGJVXUBPHPRL-JHJVBQTASA-N 0 3 373.479 1.456 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000331422467 259193995 /nfs/dbraw/zinc/19/39/95/259193995.db2.gz KZYVLNFDVAYXFQ-CYBMUJFWSA-N 0 3 371.463 1.308 20 5 FDBDHN O=C(NCc1ccc2c(c1)CNC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000364585315 259763454 /nfs/dbraw/zinc/76/34/54/259763454.db2.gz JYGACMFRBBAKSP-UHFFFAOYSA-N 0 3 355.350 1.899 20 5 FDBDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367142695 260000506 /nfs/dbraw/zinc/00/05/06/260000506.db2.gz ZUQVTTPQKJWUMA-HZPDHXFCSA-N 0 3 362.430 1.622 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622768 260069318 /nfs/dbraw/zinc/06/93/18/260069318.db2.gz JVXBOJHEQLGJLV-VQIMIIECSA-N 0 3 362.474 1.588 20 5 FDBDHN Cn1cc(C[C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000368255601 260157728 /nfs/dbraw/zinc/15/77/28/260157728.db2.gz VEWCPLFCMDUOEJ-HOCLYGCPSA-N 0 3 360.414 1.633 20 5 FDBDHN C[C@@H](CO)N1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000368976880 260271139 /nfs/dbraw/zinc/27/11/39/260271139.db2.gz ZKVITUAUQKLCDS-ZDUSSCGKSA-N 0 3 361.402 1.533 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000369345505 260344938 /nfs/dbraw/zinc/34/49/38/260344938.db2.gz UWICGZUUBOMQSZ-MBNYWOFBSA-N 0 3 365.434 1.500 20 5 FDBDHN CN(C(=O)[C@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000369511013 260380109 /nfs/dbraw/zinc/38/01/09/260380109.db2.gz SASFNJNQBPFJDK-MRXNPFEDSA-N 0 3 374.441 1.479 20 5 FDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000373568567 261021066 /nfs/dbraw/zinc/02/10/66/261021066.db2.gz NYGFRUGVBRUYGQ-QGZVFWFLSA-N 0 3 362.474 1.996 20 5 FDBDHN COC(=O)[C@]12CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000373797745 261041846 /nfs/dbraw/zinc/04/18/46/261041846.db2.gz POFYFQBAPZOXBT-SUMWQHHRSA-N 0 3 350.371 1.485 20 5 FDBDHN CCCN1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374000900 261063778 /nfs/dbraw/zinc/06/37/78/261063778.db2.gz GEMCMTCMVZFQBI-CQSZACIVSA-N 0 3 362.430 1.657 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000374623842 261165491 /nfs/dbraw/zinc/16/54/91/261165491.db2.gz XLLLENMFDHHAEC-HOCLYGCPSA-N 0 3 364.377 1.835 20 5 FDBDHN Cc1nc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000374642483 261168426 /nfs/dbraw/zinc/16/84/26/261168426.db2.gz IFDIXDDKMHYBBP-CQSZACIVSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000374642483 261168427 /nfs/dbraw/zinc/16/84/27/261168427.db2.gz IFDIXDDKMHYBBP-CQSZACIVSA-N 0 3 361.402 1.641 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000375022294 261249267 /nfs/dbraw/zinc/24/92/67/261249267.db2.gz QZCGKDFOYQLMTD-FZMZJTMJSA-N 0 3 360.370 1.055 20 5 FDBDHN CN1CC[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]21 ZINC000375039762 261254368 /nfs/dbraw/zinc/25/43/68/261254368.db2.gz NKZCKKCVINCPTH-SMDDNHRTSA-N 0 3 362.386 1.288 20 5 FDBDHN CN1CC[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375038271 261254753 /nfs/dbraw/zinc/25/47/53/261254753.db2.gz LAEZLGAPOPSMJM-GDBMZVCRSA-N 0 3 353.444 1.493 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000375378872 261326068 /nfs/dbraw/zinc/32/60/68/261326068.db2.gz KEPOBOZLBOCLJT-UMVBOHGHSA-N 0 3 362.434 1.763 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375486817 261351505 /nfs/dbraw/zinc/35/15/05/261351505.db2.gz UKTJFTJPYJZHLJ-LBPRGKRZSA-N 0 3 355.822 1.706 20 5 FDBDHN Cc1cccc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000378437595 262025554 /nfs/dbraw/zinc/02/55/54/262025554.db2.gz GYIJNHMJFCIVRN-OAHLLOKOSA-N 0 3 361.402 1.399 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000409724752 262136811 /nfs/dbraw/zinc/13/68/11/262136811.db2.gz YPDXCRDMJGDXRU-HNNXBMFYSA-N 0 3 364.446 1.606 20 5 FDBDHN CN1CCC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000023082714 518928414 /nfs/dbraw/zinc/92/84/14/518928414.db2.gz YVVSLGFLKYAQRP-UHFFFAOYSA-N 0 3 362.386 1.493 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000026936699 519149416 /nfs/dbraw/zinc/14/94/16/519149416.db2.gz LHRCNBARYSLCPB-UHFFFAOYSA-N 0 3 365.386 1.771 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000041597780 519660431 /nfs/dbraw/zinc/66/04/31/519660431.db2.gz HZXDEAHXZLIPCU-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000069137369 521816470 /nfs/dbraw/zinc/81/64/70/521816470.db2.gz PFRXNALXNPMJFV-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000069989692 521994594 /nfs/dbraw/zinc/99/45/94/521994594.db2.gz QPEGMDNCMKPFTE-UHFFFAOYSA-N 0 3 364.402 1.485 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000067271248 523372783 /nfs/dbraw/zinc/37/27/83/523372783.db2.gz MIRLNAVYTKEGNN-MRXNPFEDSA-N 0 3 370.413 1.876 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000078508345 523595729 /nfs/dbraw/zinc/59/57/29/523595729.db2.gz ZRBPBHFRTBBEML-UHFFFAOYSA-N 0 3 364.446 1.845 20 5 FDBDHN CN1CCN(CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467776 523795893 /nfs/dbraw/zinc/79/58/93/523795893.db2.gz XWEHBIHQWFQBRV-UHFFFAOYSA-N 0 3 359.430 1.303 20 5 FDBDHN C[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000079974438 523816260 /nfs/dbraw/zinc/81/62/60/523816260.db2.gz RMEPNDBOIORSAL-CQSZACIVSA-N 0 3 363.462 1.981 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172138040 524130499 /nfs/dbraw/zinc/13/04/99/524130499.db2.gz JGXATUGSDMZAPV-WFASDCNBSA-N 0 3 372.429 1.916 20 5 FDBDHN CN(C)CCOc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000136152955 524186551 /nfs/dbraw/zinc/18/65/51/524186551.db2.gz CVUQEQPWJGDXIQ-UHFFFAOYSA-N 0 3 373.413 1.772 20 5 FDBDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000140061117 524302434 /nfs/dbraw/zinc/30/24/34/524302434.db2.gz NNARWPIPLNIVJH-CYBMUJFWSA-N 0 3 366.418 1.803 20 5 FDBDHN COCCN1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000140377763 524311678 /nfs/dbraw/zinc/31/16/78/524311678.db2.gz JDLQXYUDVJUMAX-UHFFFAOYSA-N 0 3 350.419 1.847 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000111806003 524339950 /nfs/dbraw/zinc/33/99/50/524339950.db2.gz NYMLSUJEYQJZDV-INIZCTEOSA-N 0 3 365.434 1.417 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144578885 524389042 /nfs/dbraw/zinc/38/90/42/524389042.db2.gz PDCAZLDWFRHUPD-LSDHHAIUSA-N 0 3 365.430 1.837 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000150872551 524499108 /nfs/dbraw/zinc/49/91/08/524499108.db2.gz KTEJXIYFBSWUAL-CQSZACIVSA-N 0 3 373.475 1.847 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000122675075 524589646 /nfs/dbraw/zinc/58/96/46/524589646.db2.gz KUJZFXMOLXSLGW-HNNXBMFYSA-N 0 3 368.393 1.768 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000122844880 524629391 /nfs/dbraw/zinc/62/93/91/524629391.db2.gz CYTNATWQOXEGQK-OCCSQVGLSA-N 0 3 358.402 1.730 20 5 FDBDHN Cc1sc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000122888528 524637480 /nfs/dbraw/zinc/63/74/80/524637480.db2.gz XAPFMJXGMLBRKC-UHFFFAOYSA-N 0 3 368.440 1.871 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000174665323 524680243 /nfs/dbraw/zinc/68/02/43/524680243.db2.gz DTURJWFAJTXZKL-WBMJQRKESA-N 0 3 357.374 1.084 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642584 524845863 /nfs/dbraw/zinc/84/58/63/524845863.db2.gz SBEHAWTYWJLLRG-MRXNPFEDSA-N 0 3 370.409 1.537 20 5 FDBDHN COCCN(C)CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000152430619 524882950 /nfs/dbraw/zinc/88/29/50/524882950.db2.gz SCCGWUCLVCOPNV-CQSZACIVSA-N 0 3 361.402 1.757 20 5 FDBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000160421209 524885458 /nfs/dbraw/zinc/88/54/58/524885458.db2.gz YYXQZUVUSKLRPC-INIZCTEOSA-N 0 3 372.425 1.956 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000152495306 524904719 /nfs/dbraw/zinc/90/47/19/524904719.db2.gz AMILGLUWLFWOIX-CYBMUJFWSA-N 0 3 368.459 1.520 20 5 FDBDHN CSc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160607248 524927608 /nfs/dbraw/zinc/92/76/08/524927608.db2.gz LXXNHXAGZJUGKI-ZDUSSCGKSA-N 0 3 353.444 1.893 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000124689742 525053663 /nfs/dbraw/zinc/05/36/63/525053663.db2.gz PXZRELAMSBCIKB-RYUDHWBXSA-N 0 3 374.401 1.264 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCN(CCCOCC(F)(F)F)CC2)n1 ZINC000176217380 525066884 /nfs/dbraw/zinc/06/68/84/525066884.db2.gz OHTMJZHNEUJIDA-UHFFFAOYSA-N 0 3 365.356 1.378 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153131216 525115064 /nfs/dbraw/zinc/11/50/64/525115064.db2.gz VSUXOXQJZGBZNM-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124977744 525118102 /nfs/dbraw/zinc/11/81/02/525118102.db2.gz LIUFWRCZNDKAQU-UHFFFAOYSA-N 0 3 374.401 1.721 20 5 FDBDHN CN1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CN)C1 ZINC000162500284 525269060 /nfs/dbraw/zinc/26/90/60/525269060.db2.gz MWAIGHMGRKMYGU-ZDUSSCGKSA-N 0 3 361.427 1.433 20 5 FDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCN1CCCC1=O ZINC000117341560 525323437 /nfs/dbraw/zinc/32/34/37/525323437.db2.gz OLXCDHYKVLJZSN-UHFFFAOYSA-N 0 3 362.386 1.447 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162896916 525331365 /nfs/dbraw/zinc/33/13/65/525331365.db2.gz ZODTWUNJSHXPAP-CQSZACIVSA-N 0 3 355.460 1.741 20 5 FDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(OCCN2CCCC2)cc1 ZINC000126717573 525345643 /nfs/dbraw/zinc/34/56/43/525345643.db2.gz NJOAKDFWXGWMEK-UHFFFAOYSA-N 0 3 373.413 1.929 20 5 FDBDHN CCN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117802936 525395626 /nfs/dbraw/zinc/39/56/26/525395626.db2.gz NYDOYGXCCHXBNX-UHFFFAOYSA-N 0 3 354.838 1.544 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104533413 525417492 /nfs/dbraw/zinc/41/74/92/525417492.db2.gz XDGWJWNKQMBRHW-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN O=[N+]([O-])c1cc(I)ccc1OC[C@@H]1CNCCO1 ZINC000164091328 525476225 /nfs/dbraw/zinc/47/62/25/525476225.db2.gz NSHIXQAPCJJFFK-VIFPVBQESA-N 0 3 364.139 1.567 20 5 FDBDHN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000165975421 525567407 /nfs/dbraw/zinc/56/74/07/525567407.db2.gz QNMTYAVDTCTVNU-GFCCVEGCSA-N 0 3 357.208 1.072 20 5 FDBDHN CC(C)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000180061632 525657304 /nfs/dbraw/zinc/65/73/04/525657304.db2.gz VNSVFTXTARRSKH-MRXNPFEDSA-N 0 3 351.403 1.447 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000170844138 525734019 /nfs/dbraw/zinc/73/40/19/525734019.db2.gz OVIPXAGQFNRQKW-CYBMUJFWSA-N 0 3 370.475 1.766 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000155494479 525882680 /nfs/dbraw/zinc/88/26/80/525882680.db2.gz SPWYADOUVVFSTI-OCCSQVGLSA-N 0 3 363.414 1.753 20 5 FDBDHN CCN(CC)[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181931137 525987757 /nfs/dbraw/zinc/98/77/57/525987757.db2.gz IBVROTNNJZNEIV-OAHLLOKOSA-N 0 3 355.460 1.785 20 5 FDBDHN CCCCNC(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000132822434 525996736 /nfs/dbraw/zinc/99/67/36/525996736.db2.gz OKTKRFFWNLVRAQ-HNNXBMFYSA-N 0 3 367.450 1.361 20 5 FDBDHN Cc1cc(=O)c(C(=O)N(C)CCCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000181970397 526002966 /nfs/dbraw/zinc/00/29/66/526002966.db2.gz HLGVQXOIONTTLK-UHFFFAOYSA-N 0 3 373.413 1.473 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000133638302 526078541 /nfs/dbraw/zinc/07/85/41/526078541.db2.gz BNDJGSPXNCWWCM-UHFFFAOYSA-N 0 3 353.423 1.561 20 5 FDBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182327134 526137304 /nfs/dbraw/zinc/13/73/04/526137304.db2.gz NFSOSFCCTWQDIO-CYBMUJFWSA-N 0 3 367.446 1.865 20 5 FDBDHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](N2CCCC2)C1 ZINC000182997743 535901706 /nfs/dbraw/zinc/90/17/06/535901706.db2.gz LSLAMJLKFXGHIV-CXAGYDPISA-N 0 3 358.398 1.785 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000183008018 535903324 /nfs/dbraw/zinc/90/33/24/535903324.db2.gz NNRVFZUZVVUYMW-UHFFFAOYSA-N 0 3 360.414 1.376 20 5 FDBDHN CCN1CCN(CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183601034 536011485 /nfs/dbraw/zinc/01/14/85/536011485.db2.gz GPCIAQNZAQYTKJ-UHFFFAOYSA-N 0 3 350.423 1.529 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)c2)CC1 ZINC000184270826 536124475 /nfs/dbraw/zinc/12/44/75/536124475.db2.gz ALBKAHMYIWTXEC-UHFFFAOYSA-N 0 3 372.429 1.880 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H](C)O1 ZINC000184483488 536156558 /nfs/dbraw/zinc/15/65/58/536156558.db2.gz XFVXLZGFEVWQKV-CHWSQXEVSA-N 0 3 350.419 1.796 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184821508 536185904 /nfs/dbraw/zinc/18/59/04/536185904.db2.gz ICDZOQUKZXHGIO-JQWIXIFHSA-N 0 3 354.794 1.820 20 5 FDBDHN CCN1CCN(CCCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185000475 536195283 /nfs/dbraw/zinc/19/52/83/536195283.db2.gz VIPKKAQFPGGIRL-CQSZACIVSA-N 0 3 366.437 1.981 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000186017125 536223640 /nfs/dbraw/zinc/22/36/40/536223640.db2.gz DGHAZFWZOXWCKB-GFCCVEGCSA-N 0 3 368.821 1.275 20 5 FDBDHN COCCOC[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000266603752 536909036 /nfs/dbraw/zinc/90/90/36/536909036.db2.gz RXXAPNHPHCFLHU-GOEBONIOSA-N 0 3 354.403 1.319 20 5 FDBDHN COc1cc(C(=O)NCC2CCN(CCO)CC2)cc([N+](=O)[O-])c1C ZINC000189447686 537048109 /nfs/dbraw/zinc/04/81/09/537048109.db2.gz ACJIMKQBXFHFFH-UHFFFAOYSA-N 0 3 351.403 1.346 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@@H](C)O1 ZINC000263834628 537113006 /nfs/dbraw/zinc/11/30/06/537113006.db2.gz UBXNYEYMPNQOBO-CHWSQXEVSA-N 0 3 350.419 1.884 20 5 FDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440948 537182606 /nfs/dbraw/zinc/18/26/06/537182606.db2.gz DIHQLRHDFGBGJD-HUUCEWRRSA-N 0 3 365.430 1.573 20 5 FDBDHN Cc1cc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000195339758 537403040 /nfs/dbraw/zinc/40/30/40/537403040.db2.gz NOJQHURJVXQBOM-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN C[C@@H]1CN(CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290837312 537418532 /nfs/dbraw/zinc/41/85/32/537418532.db2.gz VKEGSIUQGFHVJV-TXEJJXNPSA-N 0 3 351.407 1.390 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(Cc2ccccc2)CC1 ZINC000299145197 537454923 /nfs/dbraw/zinc/45/49/23/537454923.db2.gz VLPYEPMJOHUJFS-UHFFFAOYSA-N 0 3 357.414 1.916 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000293439967 537461014 /nfs/dbraw/zinc/46/10/14/537461014.db2.gz VAIQNVCVCVQNCT-ZWKOTPCHSA-N 0 3 360.410 1.870 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000280855011 537476124 /nfs/dbraw/zinc/47/61/24/537476124.db2.gz RQQGQSHJUPJXSN-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000293918912 537625340 /nfs/dbraw/zinc/62/53/40/537625340.db2.gz PCTKBDSWNKLQDB-SFHVURJKSA-N 0 3 355.398 1.948 20 5 FDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289931791 537630223 /nfs/dbraw/zinc/63/02/23/537630223.db2.gz UYGKLJXCUWUOEF-BZUAXINKSA-N 0 3 365.430 1.130 20 5 FDBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000290116151 537673663 /nfs/dbraw/zinc/67/36/63/537673663.db2.gz RTHRPVSPIBQXBR-GFCCVEGCSA-N 0 3 366.418 1.779 20 5 FDBDHN CN1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372395263 537937551 /nfs/dbraw/zinc/93/75/51/537937551.db2.gz XDCGOLGLFMELCO-BBRMVZONSA-N 0 3 356.386 1.621 20 5 FDBDHN COC(=O)[C@H]1CSCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412075658 537945079 /nfs/dbraw/zinc/94/50/79/537945079.db2.gz MNEMWLLJPIXIDL-GFCCVEGCSA-N 0 3 367.427 1.761 20 5 FDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419347082 538047754 /nfs/dbraw/zinc/04/77/54/538047754.db2.gz WCPJEARQEPEFDR-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419389442 538056447 /nfs/dbraw/zinc/05/64/47/538056447.db2.gz FGYWGLPQJYMEQM-ZBFHGGJFSA-N 0 3 361.402 1.399 20 5 FDBDHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@H]1CN ZINC000423717438 538149537 /nfs/dbraw/zinc/14/95/37/538149537.db2.gz AYRMIHNRCVKOCR-CJNGLKHVSA-N 0 3 362.430 1.182 20 5 FDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451586677 538281432 /nfs/dbraw/zinc/28/14/32/538281432.db2.gz IUHZWZDQYFROBC-CABCVRRESA-N 0 3 361.398 1.805 20 5 FDBDHN CC(C)OCCN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420603522 538329295 /nfs/dbraw/zinc/32/92/95/538329295.db2.gz QDEBRWLDGPSCII-UHFFFAOYSA-N 0 3 350.419 1.995 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000452388415 538389265 /nfs/dbraw/zinc/38/92/65/538389265.db2.gz JMDVOUSYGNDYNW-AWEZNQCLSA-N 0 3 350.419 1.360 20 5 FDBDHN CC[C@@H]1CN(CCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000487210325 538622315 /nfs/dbraw/zinc/62/23/15/538622315.db2.gz MNFCZQFSFJTOFE-CQSZACIVSA-N 0 3 353.419 1.812 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000464795723 538705927 /nfs/dbraw/zinc/70/59/27/538705927.db2.gz RZPRQOKVGGAZNN-SFHVURJKSA-N 0 3 360.414 1.834 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC1CCN(C)CC1 ZINC000469214587 538786593 /nfs/dbraw/zinc/78/65/93/538786593.db2.gz VAODVPVVOKXVAY-AWEZNQCLSA-N 0 3 366.466 1.627 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000560771529 545600775 /nfs/dbraw/zinc/60/07/75/545600775.db2.gz OPWDAMQEYZYANG-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561419869 545841662 /nfs/dbraw/zinc/84/16/62/545841662.db2.gz TUJSMIMERXWYIM-RYUDHWBXSA-N 0 3 354.432 1.305 20 5 FDBDHN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](N)c1ccccc1 ZINC000563057331 546375970 /nfs/dbraw/zinc/37/59/70/546375970.db2.gz NTXLPNUOAJMTTP-KBXCAEBGSA-N 0 3 369.425 1.975 20 5 FDBDHN CC(C)Oc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000563404612 546521355 /nfs/dbraw/zinc/52/13/55/546521355.db2.gz ZHFAHTRGKLCRGL-LBPRGKRZSA-N 0 3 366.418 1.178 20 5 FDBDHN CN(C)CCOc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c(F)c1 ZINC000563406486 546522946 /nfs/dbraw/zinc/52/29/46/546522946.db2.gz KVSBEECKITYMKV-UHFFFAOYSA-N 0 3 363.349 1.904 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564148330 546822839 /nfs/dbraw/zinc/82/28/39/546822839.db2.gz PXWYFYIMIZKKDB-GFCCVEGCSA-N 0 3 370.400 1.558 20 5 FDBDHN COCCO[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564149578 546823086 /nfs/dbraw/zinc/82/30/86/546823086.db2.gz ZGRJQRZIGRYXMI-GJZGRUSLSA-N 0 3 354.403 1.462 20 5 FDBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000564847639 547064716 /nfs/dbraw/zinc/06/47/16/547064716.db2.gz OVMRVRVTWBRVCM-ZDUSSCGKSA-N 0 3 353.766 1.034 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000567121068 548003209 /nfs/dbraw/zinc/00/32/09/548003209.db2.gz YELJQQZBAXZVQP-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(C)C ZINC000567164898 548017817 /nfs/dbraw/zinc/01/78/17/548017817.db2.gz DGDXKFJBBLSYJU-GUYCJALGSA-N 0 3 365.434 1.487 20 5 FDBDHN CNC(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000568555843 548585105 /nfs/dbraw/zinc/58/51/05/548585105.db2.gz WLVUZXXSIKIMHH-OAHLLOKOSA-N 0 3 359.382 1.484 20 5 FDBDHN Cc1c(C(=O)N(CCN(C)C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000569814277 549058296 /nfs/dbraw/zinc/05/82/96/549058296.db2.gz VJGWKAOKCRTPIK-UHFFFAOYSA-N 0 3 358.402 1.650 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573697241 550195154 /nfs/dbraw/zinc/19/51/54/550195154.db2.gz SMEPQNHGDWOZBQ-OAHLLOKOSA-N 0 3 373.331 1.800 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000573816087 550216411 /nfs/dbraw/zinc/21/64/11/550216411.db2.gz ZXDHVCWSAREEJQ-DNVCBOLYSA-N 0 3 361.442 1.736 20 5 FDBDHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575752676 550472347 /nfs/dbraw/zinc/47/23/47/550472347.db2.gz OGZLOOBTMLAAOQ-JQWIXIFHSA-N 0 3 353.375 1.649 20 5 FDBDHN CCN1CCC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576390072 550543645 /nfs/dbraw/zinc/54/36/45/550543645.db2.gz GJRXWQMZNOHGEQ-UHFFFAOYSA-N 0 3 355.460 1.690 20 5 FDBDHN COC(=O)c1cc(C(=O)NC[C@@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000577848326 550701361 /nfs/dbraw/zinc/70/13/61/550701361.db2.gz NXFKVSMQJVHLSN-KRWDZBQOSA-N 0 3 369.377 1.998 20 5 FDBDHN Cc1c(CNC(=O)N(CCN(C)C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000578937578 550816981 /nfs/dbraw/zinc/81/69/81/550816981.db2.gz WQLVBNRPNXXIKU-UHFFFAOYSA-N 0 3 351.451 1.538 20 5 FDBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579053128 550829931 /nfs/dbraw/zinc/82/99/31/550829931.db2.gz DKZZJTJTUMUUIX-RISCZKNCSA-N 0 3 364.402 1.182 20 5 FDBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2n1 ZINC000579703948 550901588 /nfs/dbraw/zinc/90/15/88/550901588.db2.gz NRUUGELLMOYLBC-AWEZNQCLSA-N 0 3 357.370 1.499 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000580842598 551024614 /nfs/dbraw/zinc/02/46/14/551024614.db2.gz LXWJRHZATZRRRH-INIZCTEOSA-N 0 3 371.340 1.383 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000583380565 551342944 /nfs/dbraw/zinc/34/29/44/551342944.db2.gz PBPWULZCEWIYGZ-GFCCVEGCSA-N 0 3 364.793 1.776 20 5 FDBDHN CN(Cc1ccccc1)C(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584542681 551515146 /nfs/dbraw/zinc/51/51/46/551515146.db2.gz CKWQWWPLPZPCAA-KRWDZBQOSA-N 0 3 373.409 1.583 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860568 551693999 /nfs/dbraw/zinc/69/39/99/551693999.db2.gz IRQLMMDDVLUNDR-GJZGRUSLSA-N 0 3 358.398 1.286 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000588865202 551695131 /nfs/dbraw/zinc/69/51/31/551695131.db2.gz ZRSKICMEFVLNSY-OAHLLOKOSA-N 0 3 358.398 1.991 20 5 FDBDHN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000588873551 551695709 /nfs/dbraw/zinc/69/57/09/551695709.db2.gz CQPNLSAGDUSVQU-GFCCVEGCSA-N 0 3 364.446 1.688 20 5 FDBDHN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000590369293 551776572 /nfs/dbraw/zinc/77/65/72/551776572.db2.gz AUXOOZIWNZVWCV-DZGCQCFKSA-N 0 3 364.446 1.483 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000591324708 551861658 /nfs/dbraw/zinc/86/16/58/551861658.db2.gz VXWHXVABZFLFSG-LLVKDONJSA-N 0 3 371.415 1.002 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000591984825 551923505 /nfs/dbraw/zinc/92/35/05/551923505.db2.gz ISAXFIWOUQIBBE-SECBINFHSA-N 0 3 350.404 1.156 20 5 FDBDHN Cc1c(CNC(=O)N2CCOC3(CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000592017202 551927298 /nfs/dbraw/zinc/92/72/98/551927298.db2.gz SZHHLEVHLUCOMJ-UHFFFAOYSA-N 0 3 362.430 1.909 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000592387348 551987454 /nfs/dbraw/zinc/98/74/54/551987454.db2.gz NGUQXUJOOXQULJ-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000592543756 552006717 /nfs/dbraw/zinc/00/67/17/552006717.db2.gz HVFVJUVYNIJYFZ-CHWSQXEVSA-N 0 3 364.402 1.249 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592870015 552037072 /nfs/dbraw/zinc/03/70/72/552037072.db2.gz BRMXJIAZLXNANJ-LLVKDONJSA-N 0 3 359.386 1.268 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593130194 552065938 /nfs/dbraw/zinc/06/59/38/552065938.db2.gz KCLYPQGKINOJRG-QLFBSQMISA-N 0 3 364.398 1.466 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593142746 552067037 /nfs/dbraw/zinc/06/70/37/552067037.db2.gz QDJSSOREXWLCOG-CYBMUJFWSA-N 0 3 365.405 1.988 20 5 FDBDHN CSc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593231847 552075225 /nfs/dbraw/zinc/07/52/25/552075225.db2.gz AZWBEERLJVLIDG-UHFFFAOYSA-N 0 3 366.443 1.163 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)nc1 ZINC000593541728 552127866 /nfs/dbraw/zinc/12/78/66/552127866.db2.gz ALWSIOULHMSBPX-CQSZACIVSA-N 0 3 354.432 1.629 20 5 FDBDHN COC[C@@H](CC(C)(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593590933 552145547 /nfs/dbraw/zinc/14/55/47/552145547.db2.gz AWPIVZSQWFSWQH-CYBMUJFWSA-N 0 3 373.475 1.914 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593716118 552181144 /nfs/dbraw/zinc/18/11/44/552181144.db2.gz MUMOWYHMIUAFLA-LSDHHAIUSA-N 0 3 353.444 1.539 20 5 FDBDHN O=C(CCN1CCC[C@H](N2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593995861 552235862 /nfs/dbraw/zinc/23/58/62/552235862.db2.gz BHRPESIEJPJQRX-KRWDZBQOSA-N 0 3 362.430 1.720 20 5 FDBDHN CNc1nccc(C(=O)Nc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000594244224 552269693 /nfs/dbraw/zinc/26/96/93/552269693.db2.gz CTQMEZSHOFRVSD-UHFFFAOYSA-N 0 3 359.386 2.224 20 5 FDBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594753878 552371659 /nfs/dbraw/zinc/37/16/59/552371659.db2.gz GZKAVBKHRUNUOX-GFCCVEGCSA-N 0 3 364.427 1.763 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000594754743 552371676 /nfs/dbraw/zinc/37/16/76/552371676.db2.gz CCQMDNOESXZVAC-UHFFFAOYSA-N 0 3 354.432 1.629 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2COC3(CCC3)C2)cc1 ZINC000595008653 552436858 /nfs/dbraw/zinc/43/68/58/552436858.db2.gz QKEIEXVONHZTGM-LBPRGKRZSA-N 0 3 355.416 1.174 20 5 FDBDHN C[C@H](CSCCF)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595012933 552437269 /nfs/dbraw/zinc/43/72/69/552437269.db2.gz GBVXIGPIQGORID-LLVKDONJSA-N 0 3 365.452 1.554 20 5 FDBDHN COC1([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000595015473 552437424 /nfs/dbraw/zinc/43/74/24/552437424.db2.gz NWGVQGMTEAUDOP-GFCCVEGCSA-N 0 3 357.432 1.420 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595123074 552458236 /nfs/dbraw/zinc/45/82/36/552458236.db2.gz QNLRFYHWQYTCRL-RKDXNWHRSA-N 0 3 371.312 1.673 20 5 FDBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1F ZINC000595261354 552506926 /nfs/dbraw/zinc/50/69/26/552506926.db2.gz XRCIUDMYVQAKML-VXGBXAGGSA-N 0 3 360.183 1.798 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595303685 552517535 /nfs/dbraw/zinc/51/75/35/552517535.db2.gz BOWRJYGAAJJEJO-UHFFFAOYSA-N 0 3 350.394 1.474 20 5 FDBDHN O=C1CC[C@@H](N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000595526138 552578957 /nfs/dbraw/zinc/57/89/57/552578957.db2.gz KGFIQGPCGYFYQM-OAHLLOKOSA-N 0 3 350.394 1.520 20 5 FDBDHN COC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595616196 552593534 /nfs/dbraw/zinc/59/35/34/552593534.db2.gz QOMIZDWCLBRODK-INIZCTEOSA-N 0 3 351.403 1.873 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595747453 552610687 /nfs/dbraw/zinc/61/06/87/552610687.db2.gz JPJIGGZINWLFIK-CGTJXYLNSA-N 0 3 360.414 1.250 20 5 FDBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](CN)C(F)(F)F ZINC000595909861 552632058 /nfs/dbraw/zinc/63/20/58/552632058.db2.gz UIBZTEWEXZEQPW-LLVKDONJSA-N 0 3 364.280 1.083 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c1C ZINC000596049536 552649894 /nfs/dbraw/zinc/64/98/94/552649894.db2.gz FOKZPRLQUBOBSL-SNVBAGLBSA-N 0 3 355.338 1.722 20 5 FDBDHN CCOC(=O)Cc1ccc(NCCN2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000596073836 552652671 /nfs/dbraw/zinc/65/26/71/552652671.db2.gz BLULNOIJZMFDBL-UHFFFAOYSA-N 0 3 364.446 1.750 20 5 FDBDHN O=C(NC1CC1)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596088142 552654029 /nfs/dbraw/zinc/65/40/29/552654029.db2.gz YADAGQVNMYGUHH-UHFFFAOYSA-N 0 3 362.430 1.746 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596489093 552683497 /nfs/dbraw/zinc/68/34/97/552683497.db2.gz UQQOMGDTLPAHIR-GFCCVEGCSA-N 0 3 356.448 1.775 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596625546 552694879 /nfs/dbraw/zinc/69/48/79/552694879.db2.gz VIWUUJYGOUMWOH-AWEZNQCLSA-N 0 3 364.402 1.978 20 5 FDBDHN COc1ccc(CC(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000597574328 552806830 /nfs/dbraw/zinc/80/68/30/552806830.db2.gz POMUBIBHXVVXGD-KRWDZBQOSA-N 0 3 351.403 1.061 20 5 FDBDHN CN1CCN(CC2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000597694605 552823283 /nfs/dbraw/zinc/82/32/83/552823283.db2.gz LYKCKMXKIRMCRZ-UHFFFAOYSA-N 0 3 362.430 1.070 20 5 FDBDHN Cc1nn(C)c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598062840 552862244 /nfs/dbraw/zinc/86/22/44/552862244.db2.gz WWDXFRSJSKTKQG-UHFFFAOYSA-N 0 3 372.429 1.674 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062835 552862278 /nfs/dbraw/zinc/86/22/78/552862278.db2.gz WTISEBTZCKXCMY-UHFFFAOYSA-N 0 3 358.402 1.215 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598342565 552887370 /nfs/dbraw/zinc/88/73/70/552887370.db2.gz KTUQJPNEEDOGAE-GFCCVEGCSA-N 0 3 366.443 1.386 20 5 FDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598588378 552911965 /nfs/dbraw/zinc/91/19/65/552911965.db2.gz KOUPWGPGTITRQH-KBPBESRZSA-N 0 3 364.450 1.754 20 5 FDBDHN COC(=O)c1ccnc(N2CCN(c3ccncc3OC)CC2)c1[N+](=O)[O-] ZINC000598625689 552917607 /nfs/dbraw/zinc/91/76/07/552917607.db2.gz RWKUTZZEIFIIPJ-UHFFFAOYSA-N 0 3 373.369 1.507 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897985 552941190 /nfs/dbraw/zinc/94/11/90/552941190.db2.gz NJPCAKIKHXOAJS-JSGCOSHPSA-N 0 3 363.418 1.657 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598990741 552954690 /nfs/dbraw/zinc/95/46/90/552954690.db2.gz HUAXKUJRKZEEQE-AWEZNQCLSA-N 0 3 353.386 1.709 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000599069726 552964561 /nfs/dbraw/zinc/96/45/61/552964561.db2.gz IQJCNDGIQNVMKI-WFASDCNBSA-N 0 3 365.397 1.888 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000599069723 552964571 /nfs/dbraw/zinc/96/45/71/552964571.db2.gz IQJCNDGIQNVMKI-IUODEOHRSA-N 0 3 365.397 1.888 20 5 FDBDHN C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069588 552964641 /nfs/dbraw/zinc/96/46/41/552964641.db2.gz HWLGIAJLJQSIBZ-JSGCOSHPSA-N 0 3 353.386 1.962 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599936659 553178011 /nfs/dbraw/zinc/17/80/11/553178011.db2.gz AMJNCMWXJPZOHS-JKSUJKDBSA-N 0 3 358.398 1.217 20 5 FDBDHN CNc1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600006683 553198315 /nfs/dbraw/zinc/19/83/15/553198315.db2.gz BZXYUJXQSBTLBW-UHFFFAOYSA-N 0 3 362.430 1.963 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(N3CCCOCC3)CC2)n1 ZINC000600009120 553199111 /nfs/dbraw/zinc/19/91/11/553199111.db2.gz XOFAHWJJVLDZDC-UHFFFAOYSA-N 0 3 351.407 1.138 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600062986 553210945 /nfs/dbraw/zinc/21/09/45/553210945.db2.gz LCBIJRSASRXZGC-OAHLLOKOSA-N 0 3 360.414 1.975 20 5 FDBDHN CCC1(N2CCOCC2)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000600681708 553299041 /nfs/dbraw/zinc/29/90/41/553299041.db2.gz GBRFMTDIYYURPT-UHFFFAOYSA-N 0 3 351.407 1.343 20 5 FDBDHN CCC1(N2CCOCC2)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000600681708 553299043 /nfs/dbraw/zinc/29/90/43/553299043.db2.gz GBRFMTDIYYURPT-UHFFFAOYSA-N 0 3 351.407 1.343 20 5 FDBDHN CN(CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000600825343 553319145 /nfs/dbraw/zinc/31/91/45/553319145.db2.gz SDINSBLEAKZYCH-UHFFFAOYSA-N 0 3 360.414 1.364 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000601180537 553357268 /nfs/dbraw/zinc/35/72/68/553357268.db2.gz RGTJGAIHMDOYGN-ZDUSSCGKSA-N 0 3 350.394 1.586 20 5 FDBDHN O=C(N[C@H]1CCCN(CCCO)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601612214 553445485 /nfs/dbraw/zinc/44/54/85/553445485.db2.gz MEJVJUIOBSUMSR-INIZCTEOSA-N 0 3 361.442 1.980 20 5 FDBDHN COCC(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604013478 553835438 /nfs/dbraw/zinc/83/54/38/553835438.db2.gz JPNZKSWTMGZKEO-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609187717 554347200 /nfs/dbraw/zinc/34/72/00/554347200.db2.gz JNLDWOCMNOJOGF-HNNXBMFYSA-N 0 3 364.446 1.966 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(C(=O)COC)CC1 ZINC000609222844 554350921 /nfs/dbraw/zinc/35/09/21/554350921.db2.gz KQHQQLKAWTUJAC-UHFFFAOYSA-N 0 3 351.403 1.721 20 5 FDBDHN CCCCN(C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609573320 554395204 /nfs/dbraw/zinc/39/52/04/554395204.db2.gz SOFPAINASNPDJA-UHFFFAOYSA-N 0 3 364.450 1.553 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000609639520 554407229 /nfs/dbraw/zinc/40/72/29/554407229.db2.gz BNLIABRRIPHYTM-UHFFFAOYSA-N 0 3 350.419 1.847 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000609840904 554428096 /nfs/dbraw/zinc/42/80/96/554428096.db2.gz VQHROOMZZAFDRK-AWEZNQCLSA-N 0 3 364.450 1.570 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610446115 554507962 /nfs/dbraw/zinc/50/79/62/554507962.db2.gz RCXRNLHFHDSPFQ-CQSZACIVSA-N 0 3 358.402 1.309 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000610573042 554532322 /nfs/dbraw/zinc/53/23/22/554532322.db2.gz NXHSUCNVCZRJOU-UHFFFAOYSA-N 0 3 367.402 1.209 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000610810608 554565205 /nfs/dbraw/zinc/56/52/05/554565205.db2.gz IRGWNCRSJDAQFW-AWEZNQCLSA-N 0 3 370.475 1.131 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000610920584 554580815 /nfs/dbraw/zinc/58/08/15/554580815.db2.gz MQUGAQOQUQQYJL-UHFFFAOYSA-N 0 3 373.417 1.840 20 5 FDBDHN O=C([C@H]1CN2CCN1CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611210531 554615668 /nfs/dbraw/zinc/61/56/68/554615668.db2.gz YIHCADDBARSUMU-GOSISDBHSA-N 0 3 374.441 1.355 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCN(C)CC1 ZINC000611248171 554619267 /nfs/dbraw/zinc/61/92/67/554619267.db2.gz BAHUPOISECOHSH-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1OCC(=O)NC ZINC000611379736 554630003 /nfs/dbraw/zinc/63/00/03/554630003.db2.gz CDVABRSBVSZXHY-CQSZACIVSA-N 0 3 361.402 1.657 20 5 FDBDHN CN(C)C(=O)C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611384905 554630452 /nfs/dbraw/zinc/63/04/52/554630452.db2.gz XLARTJJDVZPPNM-MRXNPFEDSA-N 0 3 358.398 1.566 20 5 FDBDHN COc1cc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000611516781 554640402 /nfs/dbraw/zinc/64/04/02/554640402.db2.gz YTHYEBKWFYMWFO-MRXNPFEDSA-N 0 3 362.430 1.518 20 5 FDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611711736 554669863 /nfs/dbraw/zinc/66/98/63/554669863.db2.gz POQFLWMLJCTEAF-SNVBAGLBSA-N 0 3 372.414 1.627 20 5 FDBDHN COC(=O)COc1ccc(CNC2(CCO)CCOCC2)cc1[N+](=O)[O-] ZINC000616091245 555270085 /nfs/dbraw/zinc/27/00/85/555270085.db2.gz ZCTIXLVSWCJWAT-UHFFFAOYSA-N 0 3 368.386 1.168 20 5 FDBDHN CO[C@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000619426807 555775345 /nfs/dbraw/zinc/77/53/45/555775345.db2.gz GCFMGODFXLLDEA-STQMWFEESA-N 0 3 357.432 1.420 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000619486068 555785894 /nfs/dbraw/zinc/78/58/94/555785894.db2.gz KIVUUMGDKVLFDC-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000619578219 555802180 /nfs/dbraw/zinc/80/21/80/555802180.db2.gz DIWRISIQQRHZHY-HNNXBMFYSA-N 0 3 362.430 1.576 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272311894 674430650 /nfs/dbraw/zinc/43/06/50/674430650.db2.gz IIVZGMQOSZCIHY-VXGBXAGGSA-N 0 3 367.456 1.717 20 5 FDBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736143540 598336340 /nfs/dbraw/zinc/33/63/40/598336340.db2.gz KKOUHNZWLKWLKJ-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736143540 598336342 /nfs/dbraw/zinc/33/63/42/598336342.db2.gz KKOUHNZWLKWLKJ-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736143540 598336344 /nfs/dbraw/zinc/33/63/44/598336344.db2.gz KKOUHNZWLKWLKJ-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736143540 598336346 /nfs/dbraw/zinc/33/63/46/598336346.db2.gz KKOUHNZWLKWLKJ-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821583550 606402897 /nfs/dbraw/zinc/40/28/97/606402897.db2.gz ZFWQYZSIBFIFNU-UHFFFAOYSA-N 0 3 360.422 1.213 20 5 FDBDHN C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821583550 606402898 /nfs/dbraw/zinc/40/28/98/606402898.db2.gz ZFWQYZSIBFIFNU-UHFFFAOYSA-N 0 3 360.422 1.213 20 5 FDBDHN C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000820770252 606804047 /nfs/dbraw/zinc/80/40/47/606804047.db2.gz ZXPYLKMUZMDSKA-ZUZCIYMTSA-N 0 3 368.401 1.709 20 5 FDBDHN C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000820770252 606804048 /nfs/dbraw/zinc/80/40/48/606804048.db2.gz ZXPYLKMUZMDSKA-ZUZCIYMTSA-N 0 3 368.401 1.709 20 5 FDBDHN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000286756330 675903696 /nfs/dbraw/zinc/90/36/96/675903696.db2.gz SAZZERYNEIFNHI-JTQLQIEISA-N 0 3 351.432 1.881 20 5 FDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123658003 671728421 /nfs/dbraw/zinc/72/84/21/671728421.db2.gz LEVSCHPCABHYMM-UHFFFAOYSA-N 0 3 352.210 1.245 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000266622691 673161512 /nfs/dbraw/zinc/16/15/12/673161512.db2.gz GUDXMXWZTHXIDB-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282698624 675638576 /nfs/dbraw/zinc/63/85/76/675638576.db2.gz FPZCCFPTPYKLCM-CYBMUJFWSA-N 0 3 366.805 1.978 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361033429 676881999 /nfs/dbraw/zinc/88/19/99/676881999.db2.gz SKAQYAMVKLNWIY-KGLIPLIRSA-N 0 3 353.806 1.770 20 5 FDBDHN COCCCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363644747 676966826 /nfs/dbraw/zinc/96/68/26/676966826.db2.gz JCLKDHZYFAMOPT-UHFFFAOYSA-N 0 3 353.423 1.061 20 5 FDBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)c1 ZINC000366595077 677453708 /nfs/dbraw/zinc/45/37/08/677453708.db2.gz DRCAABMJLQJTQA-JQWIXIFHSA-N 0 3 352.313 1.368 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](NC(C)=O)C1 ZINC000420960948 680579609 /nfs/dbraw/zinc/57/96/09/680579609.db2.gz RUKVMJYRLFEVLV-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000435800924 681636817 /nfs/dbraw/zinc/63/68/17/681636817.db2.gz UMPBRDFFIXOGQI-CABCVRRESA-N 0 3 353.444 1.786 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000435800926 681636908 /nfs/dbraw/zinc/63/69/08/681636908.db2.gz UMPBRDFFIXOGQI-GJZGRUSLSA-N 0 3 353.444 1.786 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000460213138 684521582 /nfs/dbraw/zinc/52/15/82/684521582.db2.gz DCKQTLUKPVQXFS-HNNXBMFYSA-N 0 3 356.810 1.157 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000468696208 684921482 /nfs/dbraw/zinc/92/14/82/684921482.db2.gz VPFOTQACWZLHSF-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000472631221 685228491 /nfs/dbraw/zinc/22/84/91/685228491.db2.gz MNSVKNLPSOOJNA-OAHLLOKOSA-N 0 3 370.406 1.226 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486108912 686835493 /nfs/dbraw/zinc/83/54/93/686835493.db2.gz LQWSSAIFJWBXJX-NSHDSACASA-N 0 3 357.357 1.643 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498524392 687804239 /nfs/dbraw/zinc/80/42/39/687804239.db2.gz FJPHRBBNVHUNFV-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000532854438 694892378 /nfs/dbraw/zinc/89/23/78/694892378.db2.gz JCVYACVOAFGZOA-NEPJUHHUSA-N 0 3 359.452 1.305 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276327386 777003159 /nfs/dbraw/zinc/00/31/59/777003159.db2.gz QTVKASIDSOYFMX-UHFFFAOYSA-N 0 3 364.402 1.182 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nc(C(F)(F)F)cs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063691 777685941 /nfs/dbraw/zinc/68/59/41/777685941.db2.gz HISLMNLKVMPHAK-BZNPZCIMSA-N 0 3 364.349 1.564 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)CN(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000477356694 777816573 /nfs/dbraw/zinc/81/65/73/777816573.db2.gz YVLJYBNBWLQVRE-UHFFFAOYSA-N 0 3 364.446 1.982 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000277820027 783457932 /nfs/dbraw/zinc/45/79/32/783457932.db2.gz HOTMXCIBRYIAGT-INIZCTEOSA-N 0 3 370.413 1.922 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000376501258 788078186 /nfs/dbraw/zinc/07/81/86/788078186.db2.gz OURQBAOITOPVPJ-AHIWAGSCSA-N 0 3 374.397 1.067 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCCCN2CCO)c1F ZINC000412375149 794220960 /nfs/dbraw/zinc/22/09/60/794220960.db2.gz OTXDSAGIZFXJFY-LBPRGKRZSA-N 0 3 369.393 1.248 20 5 FDBDHN COCCN1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000511559775 794302088 /nfs/dbraw/zinc/30/20/88/794302088.db2.gz JMIDQOHDNBYMIM-UHFFFAOYSA-N 0 3 364.446 1.890 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000422106965 814396146 /nfs/dbraw/zinc/39/61/46/814396146.db2.gz SAMFEQQPNFBHFJ-KRWDZBQOSA-N 0 3 374.441 1.638 20 5 FDBDHN COCC(C)(C)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000425501039 816391133 /nfs/dbraw/zinc/39/11/33/816391133.db2.gz FEOWORDIMCTHRU-MRXNPFEDSA-N 0 3 367.446 1.377 20 5 FDBDHN CCCCc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983653786 818386906 /nfs/dbraw/zinc/38/69/06/818386906.db2.gz LBXODWVFSWBWGR-FDYHWXHSSA-N 0 3 351.407 1.062 20 5 FDBDHN CCCCCC(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441524831 820022262 /nfs/dbraw/zinc/02/22/62/820022262.db2.gz NXZLVXBLDOGGCF-MRXNPFEDSA-N 0 3 367.450 1.313 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000522305014 822378565 /nfs/dbraw/zinc/37/85/65/822378565.db2.gz MQSGRCPQUQFJDD-CQSZACIVSA-N 0 3 359.430 1.663 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524946877 828487351 /nfs/dbraw/zinc/48/73/51/828487351.db2.gz HFWWVHNMWNBHIX-SFHVURJKSA-N 0 3 371.397 1.138 20 5 FDBDHN CN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000896629045 824741082 /nfs/dbraw/zinc/74/10/82/824741082.db2.gz FSNGAGBJABLICE-INIZCTEOSA-N 0 3 370.413 1.543 20 5 FDBDHN CC(C)(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000909546210 825881292 /nfs/dbraw/zinc/88/12/92/825881292.db2.gz VWIVDWPDMARNFV-UHFFFAOYSA-N 0 3 361.446 1.903 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000281274655 825924817 /nfs/dbraw/zinc/92/48/17/825924817.db2.gz WKNJTKMDMFJOPJ-WBVHZDCISA-N 0 3 355.398 1.934 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000281789332 826244175 /nfs/dbraw/zinc/24/41/75/826244175.db2.gz NXHTTXNWVLICDK-UHFFFAOYSA-N 0 3 373.457 1.761 20 5 FDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897040251 826821713 /nfs/dbraw/zinc/82/17/13/826821713.db2.gz DYLGLDNHJWASSD-ZGUWOUCSSA-N 0 3 359.426 1.961 20 5 FDBDHN CC(C)c1nnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC000985432324 827815543 /nfs/dbraw/zinc/81/55/43/827815543.db2.gz ZONAHQCBOMSROE-CHWSQXEVSA-N 0 3 350.423 1.016 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000523663845 828244759 /nfs/dbraw/zinc/24/47/59/828244759.db2.gz NZBVAYUFDYOUQU-AWEZNQCLSA-N 0 3 363.462 1.640 20 5 FDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000532143914 830989539 /nfs/dbraw/zinc/98/95/39/830989539.db2.gz HDCWADFOAFKZRM-SFHVURJKSA-N 0 3 356.382 1.357 20 5 FDBDHN CCc1[nH]nc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428535432 832020313 /nfs/dbraw/zinc/02/03/13/832020313.db2.gz KACUTOLXSAZAQT-CYBMUJFWSA-N 0 3 359.386 1.699 20 5 FDBDHN O=C(CN1CCNC[C@@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261613449 837246748 /nfs/dbraw/zinc/24/67/48/837246748.db2.gz CFAYYWWODYXLAQ-GOSISDBHSA-N 0 3 367.409 1.525 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000459477349 838718091 /nfs/dbraw/zinc/71/80/91/838718091.db2.gz MDNGDNHSPDIHKE-VXGBXAGGSA-N 0 3 364.402 1.677 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C[C@@H]21 ZINC000459974085 839159590 /nfs/dbraw/zinc/15/95/90/839159590.db2.gz NQHKLNRXUCNNMX-PBHICJAKSA-N 0 3 372.425 1.248 20 5 FDBDHN C[C@H](O)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000865739158 839955561 /nfs/dbraw/zinc/95/55/61/839955561.db2.gz SRFRDIYTZQIRRS-WRWORJQWSA-N 0 3 366.155 1.031 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000843797755 840981657 /nfs/dbraw/zinc/98/16/57/840981657.db2.gz KKERZXOOZNIUTG-GFCCVEGCSA-N 0 3 352.410 1.656 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCN(C)CCO)CC1 ZINC000899726997 846627630 /nfs/dbraw/zinc/62/76/30/846627630.db2.gz ZHEKEWZVWVXPIW-UHFFFAOYSA-N 0 3 364.446 1.485 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC2CN(CCCCCF)C2)CC1 ZINC001105707343 855988868 /nfs/dbraw/zinc/98/88/68/855988868.db2.gz XGESRQMAQQTIOU-HZPDHXFCSA-N 0 3 357.426 1.483 20 5 FDBDHN CN(C)CCn1nccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475307 858649306 /nfs/dbraw/zinc/64/93/06/858649306.db2.gz VHAVPRJNMLGHHS-UHFFFAOYSA-N 0 3 353.329 1.561 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000462987152 868280579 /nfs/dbraw/zinc/28/05/79/868280579.db2.gz HXHUDDLXTFTFSW-CQSZACIVSA-N 0 3 363.462 1.640 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000254927877 882293975 /nfs/dbraw/zinc/29/39/75/882293975.db2.gz PADKXWJGFBHABE-ALCCZGGFSA-N 0 3 358.442 1.848 20 5 FDBDHN CCCCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000272600696 878008280 /nfs/dbraw/zinc/00/82/80/878008280.db2.gz QXCJNYWOYPQKQA-UHFFFAOYSA-N 0 3 366.418 1.910 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000918353011 884356347 /nfs/dbraw/zinc/35/63/47/884356347.db2.gz ZHEHDAQTQZCGOH-IYBDPMFKSA-N 0 3 353.444 1.866 20 5 FDBDHN COc1ccc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)nn1 ZINC001034816894 885148122 /nfs/dbraw/zinc/14/81/22/885148122.db2.gz VEPWBONQUVKNBM-HZPDHXFCSA-N 0 3 371.397 1.056 20 5 FDBDHN O=C(NCc1ccc(CNCc2ccc(F)cn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816904 885150937 /nfs/dbraw/zinc/15/09/37/885150937.db2.gz VJQRNJURMUQLTQ-IAGOWNOFSA-N 0 3 358.373 1.792 20 5 FDBDHN CN1CCC(CCO)(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000499120333 886397548 /nfs/dbraw/zinc/39/75/48/886397548.db2.gz HOWSYKADWIQPFR-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN Cn1nnc2c1C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000922994771 887705872 /nfs/dbraw/zinc/70/58/72/887705872.db2.gz XODJESXPSABSFP-SNVBAGLBSA-N 0 3 353.329 1.972 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272831697 891043833 /nfs/dbraw/zinc/04/38/33/891043833.db2.gz FKOGZFWZLTWVMP-GFCCVEGCSA-N 0 3 364.402 1.390 20 5 FDBDHN CC(C)(C)C(=O)N1CCN(CCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079160631 902083472 /nfs/dbraw/zinc/08/34/72/902083472.db2.gz CQQXQFYBDKPGFC-HUUCEWRRSA-N 0 3 368.478 1.128 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2nc(CC3CC3)no2)CC1 ZINC000997773712 909674433 /nfs/dbraw/zinc/67/44/33/909674433.db2.gz XTBLXPAKQZLKFL-ZIAGYGMSSA-N 0 3 363.418 1.016 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272997419 910826114 /nfs/dbraw/zinc/82/61/14/910826114.db2.gz XBMPPWKPMKYEHD-ZDUSSCGKSA-N 0 3 360.414 1.400 20 5 FDBDHN C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1=CCN(C)CC1 ZINC000273162267 911153576 /nfs/dbraw/zinc/15/35/76/911153576.db2.gz ZTTUEUAYCWQOSK-SJCJKPOMSA-N 0 3 358.398 1.854 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1nnc3ccccn31)OCCO2 ZINC000731448309 918059718 /nfs/dbraw/zinc/05/97/18/918059718.db2.gz AYCZLNDAYOVWRO-UHFFFAOYSA-N 0 3 355.354 1.741 20 5 FDBDHN CS(=O)(=O)Nc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679199 918413401 /nfs/dbraw/zinc/41/34/01/918413401.db2.gz ZDPJQXPZOOORBT-MRXNPFEDSA-N 0 3 365.411 1.790 20 5 FDBDHN CC(C)c1nsc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363497 926831047 /nfs/dbraw/zinc/83/10/47/926831047.db2.gz XMYONQOFJFBORK-DDHJBXDOSA-N 0 3 353.448 1.311 20 5 FDBDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018822 928239349 /nfs/dbraw/zinc/23/93/49/928239349.db2.gz FILJBZFRBICIEJ-JJRVBVJISA-N 0 3 352.435 1.519 20 5 FDBDHN COc1cccc(/C=C/CCN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001112835604 932560830 /nfs/dbraw/zinc/56/08/30/932560830.db2.gz GNNOITZWUJYADF-KBINPUMDSA-N 0 3 359.426 1.908 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804566256 938472890 /nfs/dbraw/zinc/47/28/90/938472890.db2.gz ABHYZSKRWZVATC-AWEZNQCLSA-N 0 3 363.374 1.422 20 5 FDBDHN C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000804585410 938482789 /nfs/dbraw/zinc/48/27/89/938482789.db2.gz LLKPDDUMYPOHGU-KBPBESRZSA-N 0 3 363.418 1.965 20 5 FDBDHN CC(COC(=O)COc1ccc(I)cc1)[N+](=O)[O-] ZINC000813100553 941325647 /nfs/dbraw/zinc/32/56/47/941325647.db2.gz UFLLUAYVFHOEMS-QMMMGPOBSA-N 0 3 365.123 1.878 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[N+](=O)[O-] ZINC000813100910 941325667 /nfs/dbraw/zinc/32/56/67/941325667.db2.gz YDEVUEYWOGUGMS-NSHDSACASA-N 0 3 359.404 1.022 20 5 FDBDHN CC(COC(=O)CN(C)C(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813101473 941325917 /nfs/dbraw/zinc/32/59/17/941325917.db2.gz BECAUTBKQGIPIB-ZETCQYMHSA-N 0 3 365.205 1.791 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813104672 941326602 /nfs/dbraw/zinc/32/66/02/941326602.db2.gz FSSXBPXFMZXOLW-RISCZKNCSA-N 0 3 365.342 1.716 20 5 FDBDHN CC(COC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107973 941333805 /nfs/dbraw/zinc/33/38/05/941333805.db2.gz SKAQCOWKSBVYOG-NEPJUHHUSA-N 0 3 373.406 1.101 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000813113871 941336274 /nfs/dbraw/zinc/33/62/74/941336274.db2.gz KFAGAJJJVVLBKD-CHWSQXEVSA-N 0 3 370.427 1.929 20 5 FDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000813115731 941336925 /nfs/dbraw/zinc/33/69/25/941336925.db2.gz YVDMPPHRYNRWKL-LBPRGKRZSA-N 0 3 360.407 1.859 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000815703826 941945522 /nfs/dbraw/zinc/94/55/22/941945522.db2.gz NRRKNWJALDAVLK-ZANVPECISA-N 0 3 352.778 1.349 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000819308087 943512083 /nfs/dbraw/zinc/51/20/83/943512083.db2.gz DSNCNTZGWUDBSR-UONOGXRCSA-N 0 3 363.336 1.481 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC001136660115 945427203 /nfs/dbraw/zinc/42/72/03/945427203.db2.gz CSSWDHIYWVCXQI-UHFFFAOYSA-N 0 3 354.382 1.110 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823565655 945851629 /nfs/dbraw/zinc/85/16/29/945851629.db2.gz AZDOINJFNSRKCO-KCXAZCMYSA-N 0 3 360.414 1.277 20 5 FDBDHN CN1CCN(c2ccnc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001171050497 946281222 /nfs/dbraw/zinc/28/12/22/946281222.db2.gz DIRPVEWESJWJAI-KRWDZBQOSA-N 0 3 371.397 1.414 20 5 FDBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1OC ZINC001197104633 972098829 /nfs/dbraw/zinc/09/88/29/972098829.db2.gz JDUPAUBIDSZFDR-ZFWWWQNUSA-N 0 3 364.402 1.910 20 5 FDBDHN Cn1c(=O)c([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)c2ccccc21 ZINC001186528683 964550069 /nfs/dbraw/zinc/55/00/69/964550069.db2.gz UDEXNFSBMCCGQU-CYBMUJFWSA-N 0 3 360.414 1.705 20 5 FDBDHN O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852437420 967309264 /nfs/dbraw/zinc/30/92/64/967309264.db2.gz BZLQQQMCCPWPJA-LBPRGKRZSA-N 0 3 366.349 1.589 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CC3(O)CCCCC3)C2)nc1 ZINC001191763783 968733613 /nfs/dbraw/zinc/73/36/13/968733613.db2.gz LIHQCKGSEQBCOR-GDBMZVCRSA-N 0 3 364.446 1.922 20 5 FDBDHN CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@@H]1CCN(C)C1 ZINC000855360543 970313850 /nfs/dbraw/zinc/31/38/50/970313850.db2.gz HBTOHXFQKRAQMK-CYBMUJFWSA-N 0 3 365.386 1.347 20 5 FDBDHN C[NH+](C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001195097756 970684906 /nfs/dbraw/zinc/68/49/06/970684906.db2.gz LLCDBMULGJMGNN-UONOGXRCSA-N 0 3 357.407 1.885 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000867601708 976471517 /nfs/dbraw/zinc/47/15/17/976471517.db2.gz XYAKTDDRPXHDEO-OAHLLOKOSA-N 0 3 362.430 1.461 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811188 976913408 /nfs/dbraw/zinc/91/34/08/976913408.db2.gz ALWZZVHTZGZMRN-PWSUYJOCSA-N 0 3 359.835 1.963 20 5 FDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867813118 976920340 /nfs/dbraw/zinc/92/03/40/976920340.db2.gz RERKCDFSHBOVTI-JQWIXIFHSA-N 0 3 359.835 1.963 20 5 FDBDHN Cc1ccc(CNC(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868047903 977233961 /nfs/dbraw/zinc/23/39/61/977233961.db2.gz FACSUHIHOUBRND-UHFFFAOYSA-N 0 3 363.462 1.730 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000849329145 977431107 /nfs/dbraw/zinc/43/11/07/977431107.db2.gz NFVGYDQZMJASNL-HNNXBMFYSA-N 0 3 356.444 1.965 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CC2)COCCO3)c1 ZINC000880540076 979284709 /nfs/dbraw/zinc/28/47/09/979284709.db2.gz QOSTVJXMAXXPGI-OAHLLOKOSA-N 0 3 352.387 1.216 20 5 FDBDHN C[C@H](N)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000881341605 979856552 /nfs/dbraw/zinc/85/65/52/979856552.db2.gz SLHSQINFUAHIKH-ZETCQYMHSA-N 0 3 373.154 1.859 20 5 FDBDHN CC1(N2CCC2)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000882768985 981664643 /nfs/dbraw/zinc/66/46/43/981664643.db2.gz CJOHKPOQRXPKQB-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN CS(=O)(=O)c1ccc(NCCNc2ccnc(CO)c2)c([N+](=O)[O-])c1 ZINC000858327337 981988504 /nfs/dbraw/zinc/98/85/04/981988504.db2.gz OVYRZGZQHPMGPU-UHFFFAOYSA-N 0 3 366.399 1.410 20 5 FDBDHN COCCN1CCC[C@H]1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000861034372 983594890 /nfs/dbraw/zinc/59/48/90/983594890.db2.gz RJTKEABLTAEHNF-AWEZNQCLSA-N 0 3 352.387 1.800 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101953 984116009 /nfs/dbraw/zinc/11/60/09/984116009.db2.gz XCQKIQLWNGLYSV-ZDUSSCGKSA-N 0 3 370.409 1.940 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCN1C1CCOCC1 ZINC000885866477 985726877 /nfs/dbraw/zinc/72/68/77/985726877.db2.gz WZCWJSWFEDVYKM-KRWDZBQOSA-N 0 3 372.425 1.919 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363395783 989160012 /nfs/dbraw/zinc/16/00/12/989160012.db2.gz NCJPVKAAGABBHD-STQMWFEESA-N 0 3 372.381 1.442 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363692898 989398692 /nfs/dbraw/zinc/39/86/92/989398692.db2.gz OIQCKHSPMPWIQT-JKSUJKDBSA-N 0 3 374.441 1.788 20 5 FDBDHN O=C(CN1CC[C@@](O)(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000370665192 989924218 /nfs/dbraw/zinc/92/42/18/989924218.db2.gz AKQSYOSGXCIOEC-IBGZPJMESA-N 0 3 374.441 1.090 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000365558982 990291508 /nfs/dbraw/zinc/29/15/08/990291508.db2.gz UPFVVKINKTXGIY-MRXNPFEDSA-N 0 3 359.430 1.481 20 5 FDBDHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000371613496 990569977 /nfs/dbraw/zinc/56/99/77/990569977.db2.gz IDGLNRKNTNHJRJ-HIFRSBDPSA-N 0 3 370.413 1.970 20 5 FDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000372606039 991263090 /nfs/dbraw/zinc/26/30/90/991263090.db2.gz MRWZVOYNUWRXOO-FUTAKVPZSA-N 0 3 374.441 1.131 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467721020 993363194 /nfs/dbraw/zinc/36/31/94/993363194.db2.gz RMAUMAKSDFIIET-SJKOYZFVSA-N 0 3 355.398 1.993 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(C(C)C)CC1 ZINC000469196518 993789530 /nfs/dbraw/zinc/78/95/30/993789530.db2.gz HIALOLLSCWCAEW-CQSZACIVSA-N 0 3 366.466 1.770 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878779303 994220349 /nfs/dbraw/zinc/22/03/49/994220349.db2.gz YCJCWQWYGGNHAT-CYBMUJFWSA-N 0 3 361.398 1.970 20 5 FDBDHN CC(C)(C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889752716 998596581 /nfs/dbraw/zinc/59/65/81/998596581.db2.gz YEXUHYDTXAPNKI-IRXDYDNUSA-N 0 3 361.442 1.930 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000270908125 999632424 /nfs/dbraw/zinc/63/24/24/999632424.db2.gz PUGXHKWHAXQYKR-WFASDCNBSA-N 0 3 355.398 1.993 20 5 FDBDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271129819 999665358 /nfs/dbraw/zinc/66/53/58/999665358.db2.gz MQYVSJCRPQAFST-GFCCVEGCSA-N 0 3 367.406 1.198 20 5 FDBDHN COC(=O)c1cn(CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000284311163 999804199 /nfs/dbraw/zinc/80/41/99/999804199.db2.gz JKVNRCDNHZUBLV-AWEZNQCLSA-N 0 3 359.386 1.985 20 5 FDBDHN COC(=O)CC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000288814216 1000049425 /nfs/dbraw/zinc/04/94/25/1000049425.db2.gz STMDVHBTPLRRMI-OAHLLOKOSA-N 0 3 365.386 1.245 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438305 1001521074 /nfs/dbraw/zinc/52/10/74/1001521074.db2.gz DXFROTIVAWWKAE-YSVLISHTSA-N 0 3 374.441 1.717 20 5 FDBDHN Cn1ccc([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000932139935 1004789672 /nfs/dbraw/zinc/78/96/72/1004789672.db2.gz SZJXSBNKIXLBAS-HOCLYGCPSA-N 0 3 360.414 1.948 20 5 FDBDHN CN1CCN(C)CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000933996172 1005675699 /nfs/dbraw/zinc/67/56/99/1005675699.db2.gz RJBYKOMEZXOFIH-UHFFFAOYSA-N 0 3 369.853 1.366 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000934784761 1005800889 /nfs/dbraw/zinc/80/08/89/1005800889.db2.gz BQCSASZANYZBJT-INIZCTEOSA-N 0 3 357.414 1.833 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192567427 1010348252 /nfs/dbraw/zinc/34/82/52/1010348252.db2.gz ZWUAELLDOAVUJD-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN COc1cc(C(=O)N(C)CCCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191552047 178060493 /nfs/dbraw/zinc/06/04/93/178060493.db2.gz FOTAZFRANYMIMR-UHFFFAOYSA-N 0 3 364.446 1.621 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCNCC2)c(C)c1[N+](=O)[O-] ZINC000193232171 178152911 /nfs/dbraw/zinc/15/29/11/178152911.db2.gz FBCGHQOLLMVCEJ-UHFFFAOYSA-N 0 3 358.376 1.104 20 5 FDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193414989 178162385 /nfs/dbraw/zinc/16/23/85/178162385.db2.gz CGTXRQGPUDOVQD-LDYMZIIASA-N 0 3 367.349 1.890 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(CC)CC1 ZINC000193989781 178191875 /nfs/dbraw/zinc/19/18/75/178191875.db2.gz PYXOXQAPZSXZSH-UHFFFAOYSA-N 0 3 370.475 1.073 20 5 FDBDHN Cc1nc2n(n1)C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000237706126 178326767 /nfs/dbraw/zinc/32/67/67/178326767.db2.gz KFJIZOKNPNTOHV-OAHLLOKOSA-N 0 3 367.413 2.000 20 5 FDBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000237318911 178308145 /nfs/dbraw/zinc/30/81/45/178308145.db2.gz KVEQUSXRENUSDS-UHFFFAOYSA-N 0 3 364.446 1.797 20 5 FDBDHN NC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000238015781 178343484 /nfs/dbraw/zinc/34/34/84/178343484.db2.gz JJTSUQFDUPWXRX-GOSISDBHSA-N 0 3 354.410 1.986 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245780219 178380456 /nfs/dbraw/zinc/38/04/56/178380456.db2.gz MBNQRKUQYICAHC-XJKSGUPXSA-N 0 3 360.414 1.232 20 5 FDBDHN CN1CCC[C@H](CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000517218486 539353422 /nfs/dbraw/zinc/35/34/22/539353422.db2.gz RNXALGVHOANXFV-CQSZACIVSA-N 0 3 362.434 1.163 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264451338 179111192 /nfs/dbraw/zinc/11/11/92/179111192.db2.gz VPRHMHLEDCTYFO-UHFFFAOYSA-N 0 3 371.459 1.976 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264640738 179155626 /nfs/dbraw/zinc/15/56/26/179155626.db2.gz VPRQSDHLBMNWQD-RHSMWYFYSA-N 0 3 374.441 1.800 20 5 FDBDHN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)CN1CCN(C)CC1 ZINC000265152779 179300100 /nfs/dbraw/zinc/30/01/00/179300100.db2.gz ZDGIKHRRIRDVIK-ZDUSSCGKSA-N 0 3 359.430 1.689 20 5 FDBDHN CC(C)OCCOC[C@H](O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000265238766 179319506 /nfs/dbraw/zinc/31/95/06/179319506.db2.gz KPBMQAZYPWTRDX-MRXNPFEDSA-N 0 3 356.419 1.708 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000265257932 179323628 /nfs/dbraw/zinc/32/36/28/179323628.db2.gz CNUOQAXDAYWRGL-UHFFFAOYSA-N 0 3 373.413 1.216 20 5 FDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265380090 179359368 /nfs/dbraw/zinc/35/93/68/179359368.db2.gz KKDVGMQVTBHFNP-LLVKDONJSA-N 0 3 352.391 1.388 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@@H](C)O1 ZINC000524224040 539637171 /nfs/dbraw/zinc/63/71/71/539637171.db2.gz RYDAXYSMSSHPQF-ZIAGYGMSSA-N 0 3 364.446 1.895 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000268157568 180011712 /nfs/dbraw/zinc/01/17/12/180011712.db2.gz HGZODDMAPKAAAG-BDJLRTHQSA-N 0 3 370.413 1.696 20 5 FDBDHN COCCCN1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000269303005 180269270 /nfs/dbraw/zinc/26/92/70/180269270.db2.gz VJQYBYFPDKCAFA-UHFFFAOYSA-N 0 3 372.447 1.155 20 5 FDBDHN CC(C)OCCOC[C@H](O)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672342 180357650 /nfs/dbraw/zinc/35/76/50/180357650.db2.gz VGEZTFNZVLNRBM-IAGOWNOFSA-N 0 3 356.419 1.363 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000274059073 181019269 /nfs/dbraw/zinc/01/92/69/181019269.db2.gz ZQLJJZUQKYNWMG-UHFFFAOYSA-N 0 3 362.386 1.171 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]c(=O)cc2C1 ZINC000275033559 181221547 /nfs/dbraw/zinc/22/15/47/181221547.db2.gz WOFDSADJHMCSCH-UHFFFAOYSA-N 0 3 357.370 1.373 20 5 FDBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000275112867 181241896 /nfs/dbraw/zinc/24/18/96/181241896.db2.gz NHXUHTVXIHAIQG-LLVKDONJSA-N 0 3 361.320 1.974 20 5 FDBDHN Cn1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000534916949 540426442 /nfs/dbraw/zinc/42/64/42/540426442.db2.gz PTDKNDHLNPFKLG-JKSUJKDBSA-N 0 3 372.425 1.546 20 5 FDBDHN O=C(NCCNc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000536018814 540539989 /nfs/dbraw/zinc/53/99/89/540539989.db2.gz QEYLNWAJBFDBGV-UHFFFAOYSA-N 0 3 363.761 1.232 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)CCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000536541763 540612476 /nfs/dbraw/zinc/61/24/76/540612476.db2.gz FGIHRMSVPSCRJL-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000538381024 540850465 /nfs/dbraw/zinc/85/04/65/540850465.db2.gz WYIVKSVTSMUHIR-KBPBESRZSA-N 0 3 352.460 1.819 20 5 FDBDHN CCO[C@@H]1C[C@](CO)(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000275455871 181322291 /nfs/dbraw/zinc/32/22/91/181322291.db2.gz BGZOWWFMVOJEKG-YXJHDRRASA-N 0 3 368.430 1.490 20 5 FDBDHN CCOc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000539268925 540941335 /nfs/dbraw/zinc/94/13/35/540941335.db2.gz YCHVCOUNERBNGX-DOMZBBRYSA-N 0 3 364.402 1.910 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000539293394 540943575 /nfs/dbraw/zinc/94/35/75/540943575.db2.gz SGJUWTWFSMVXSR-AWEZNQCLSA-N 0 3 351.451 1.791 20 5 FDBDHN COc1cc(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000934264647 781938111 /nfs/dbraw/zinc/93/81/11/781938111.db2.gz ICNWPFZPLFZDIE-LSDHHAIUSA-N 0 3 353.394 1.774 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000541113433 541152332 /nfs/dbraw/zinc/15/23/32/541152332.db2.gz BVWOZIFWHPFHAT-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN CCOC(=O)CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544069769 541709140 /nfs/dbraw/zinc/70/91/40/541709140.db2.gz PJAVECUTBDISDQ-OAHLLOKOSA-N 0 3 366.414 2.000 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544394009 541763942 /nfs/dbraw/zinc/76/39/42/541763942.db2.gz DSRVPOASOFCXCP-UHFFFAOYSA-N 0 3 372.429 1.893 20 5 FDBDHN CN(C)C1(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000276016863 181484168 /nfs/dbraw/zinc/48/41/68/181484168.db2.gz QMXBFVJEYOSKTD-UHFFFAOYSA-N 0 3 366.443 1.386 20 5 FDBDHN CN(CCCN1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000544598650 541793419 /nfs/dbraw/zinc/79/34/19/541793419.db2.gz ISHVWYSTGRTPNZ-UHFFFAOYSA-N 0 3 355.460 1.885 20 5 FDBDHN CN1CCN(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282497913 182020252 /nfs/dbraw/zinc/02/02/52/182020252.db2.gz KCHAAOXNYYTHFS-UHFFFAOYSA-N 0 3 370.475 1.040 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000282919198 182076398 /nfs/dbraw/zinc/07/63/98/182076398.db2.gz YHTIIFUJYNFCTI-LLVKDONJSA-N 0 3 366.393 1.971 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCN(CC)CC1 ZINC000282971427 182083971 /nfs/dbraw/zinc/08/39/71/182083971.db2.gz IQDOVMKMFFCPRN-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN O=c1[nH]c(N2CCN(C[C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000283722955 182259371 /nfs/dbraw/zinc/25/93/71/182259371.db2.gz GOZVGUHWPZDQGI-GFCCVEGCSA-N 0 3 359.386 1.402 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000283863680 182296771 /nfs/dbraw/zinc/29/67/71/182296771.db2.gz HNQOIVGFNNVECD-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283935607 182321462 /nfs/dbraw/zinc/32/14/62/182321462.db2.gz XSTSSJKEFNSEKS-AWEZNQCLSA-N 0 3 363.414 1.848 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000269889788 674130389 /nfs/dbraw/zinc/13/03/89/674130389.db2.gz XNCXGOBHVOAXED-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000546150206 542110868 /nfs/dbraw/zinc/11/08/68/542110868.db2.gz PYQYVIDLGXZTMF-AWEZNQCLSA-N 0 3 363.418 1.289 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295602715 184086660 /nfs/dbraw/zinc/08/66/60/184086660.db2.gz UOGCIZYVUUXMMU-GXTWGEPZSA-N 0 3 357.407 1.860 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000295619335 184088794 /nfs/dbraw/zinc/08/87/94/184088794.db2.gz YMKAEGADLDRLIN-GFCCVEGCSA-N 0 3 373.812 1.893 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296359718 184157644 /nfs/dbraw/zinc/15/76/44/184157644.db2.gz IFLWFBJMYPXPPE-DZGCQCFKSA-N 0 3 374.445 1.304 20 5 FDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000296496206 184172360 /nfs/dbraw/zinc/17/23/60/184172360.db2.gz NHZQJGAGGIPECI-AWEZNQCLSA-N 0 3 352.439 1.601 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296939911 184217408 /nfs/dbraw/zinc/21/74/08/184217408.db2.gz NENFWOBMFKHYKE-RISCZKNCSA-N 0 3 366.393 1.779 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298109583 184394268 /nfs/dbraw/zinc/39/42/68/184394268.db2.gz LZOUOWGMOYHFOW-UHFFFAOYSA-N 0 3 366.418 1.187 20 5 FDBDHN C[NH+](C)CCn1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000270012915 674153564 /nfs/dbraw/zinc/15/35/64/674153564.db2.gz GERRZBKYFCIEAN-UHFFFAOYSA-N 0 3 366.399 1.119 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184328092 177625841 /nfs/dbraw/zinc/62/58/41/177625841.db2.gz FRKCLILAKYXXLO-OAHLLOKOSA-N 0 3 364.446 1.506 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000548011154 542521380 /nfs/dbraw/zinc/52/13/80/542521380.db2.gz XYMURFMRZCRJNE-HIFRSBDPSA-N 0 3 360.418 1.175 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000548123358 542562229 /nfs/dbraw/zinc/56/22/29/542562229.db2.gz CDLBARRAQBIDAH-UHFFFAOYSA-N 0 3 357.370 1.700 20 5 FDBDHN CN1CCN(c2cc[nH+]cc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000548123358 542562230 /nfs/dbraw/zinc/56/22/30/542562230.db2.gz CDLBARRAQBIDAH-UHFFFAOYSA-N 0 3 357.370 1.700 20 5 FDBDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000552067294 543413948 /nfs/dbraw/zinc/41/39/48/543413948.db2.gz FUTUSMCNDZIJLL-YESZJQIVSA-N 0 3 367.471 1.831 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552209509 543437970 /nfs/dbraw/zinc/43/79/70/543437970.db2.gz HFEXJUOCPAIQQK-GOSISDBHSA-N 0 3 360.414 1.356 20 5 FDBDHN CCN(CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000552747567 543513165 /nfs/dbraw/zinc/51/31/65/543513165.db2.gz OFRDCJKZDCSNAZ-UHFFFAOYSA-N 0 3 374.441 1.686 20 5 FDBDHN CC(C)CN1CCO[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552957200 543542493 /nfs/dbraw/zinc/54/24/93/543542493.db2.gz KVFKXDLRUDADCW-AEFFLSMTSA-N 0 3 367.446 1.281 20 5 FDBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068220361 172016666 /nfs/dbraw/zinc/01/66/66/172016666.db2.gz YOXGHILPJGAUHT-LLVKDONJSA-N 0 3 358.402 1.696 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090539023 172266468 /nfs/dbraw/zinc/26/64/68/172266468.db2.gz SQJYECWDVVCGPF-LBPRGKRZSA-N 0 3 367.431 1.392 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000137534196 173371632 /nfs/dbraw/zinc/37/16/32/173371632.db2.gz UGJIWRNKJCYNOE-GDBMZVCRSA-N 0 3 357.414 1.961 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000177054589 174104077 /nfs/dbraw/zinc/10/40/77/174104077.db2.gz WPGSJPOTNFVXAJ-CYBMUJFWSA-N 0 3 369.443 1.852 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000178199457 174177428 /nfs/dbraw/zinc/17/74/28/174177428.db2.gz VOACEUNEVWSBFV-UHFFFAOYSA-N 0 3 363.462 1.633 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000181162136 174209858 /nfs/dbraw/zinc/20/98/58/174209858.db2.gz KCSBHXYGJQXXLD-PVUWLOKVSA-N 0 3 360.414 1.886 20 5 FDBDHN CN(CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)Cc1ccccc1 ZINC000181441928 174225546 /nfs/dbraw/zinc/22/55/46/174225546.db2.gz PFQFHGSBMMYDHE-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCCN1CCCCC1 ZINC000179496282 258352163 /nfs/dbraw/zinc/35/21/63/258352163.db2.gz ZKXBBMGZKTVFDE-UHFFFAOYSA-N 0 3 355.460 1.933 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000173713611 258308180 /nfs/dbraw/zinc/30/81/80/258308180.db2.gz OCWVPRVUGBAGPV-OAHLLOKOSA-N 0 3 363.462 1.668 20 5 FDBDHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176986171 258325923 /nfs/dbraw/zinc/32/59/23/258325923.db2.gz FFFJLQDYHMACQX-CJNGLKHVSA-N 0 3 362.430 1.656 20 5 FDBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000178909298 258339460 /nfs/dbraw/zinc/33/94/60/258339460.db2.gz LNRQNZHQAWAITA-ZETCQYMHSA-N 0 3 352.210 1.373 20 5 FDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000178938118 258340578 /nfs/dbraw/zinc/34/05/78/258340578.db2.gz UVRXMZBGCSCJRP-KRWDZBQOSA-N 0 3 351.447 1.918 20 5 FDBDHN COC(=O)c1cc(N2CCN(C[C@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000268487396 258427909 /nfs/dbraw/zinc/42/79/09/258427909.db2.gz MYIBDMPIFFWVGS-CQSZACIVSA-N 0 3 363.414 1.848 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000193206308 258393425 /nfs/dbraw/zinc/39/34/25/258393425.db2.gz GCEQQQMFZTYXNF-AWEZNQCLSA-N 0 3 370.475 1.208 20 5 FDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000556661680 544170792 /nfs/dbraw/zinc/17/07/92/544170792.db2.gz PJGBUOXYRKFSSV-ZDUSSCGKSA-N 0 3 362.430 1.326 20 5 FDBDHN CC1(C)NC(=O)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558860694 544543255 /nfs/dbraw/zinc/54/32/55/544543255.db2.gz YYKZGPHAEPUOGN-ZDUSSCGKSA-N 0 3 355.416 1.015 20 5 FDBDHN CCC[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000560432410 545005773 /nfs/dbraw/zinc/00/57/73/545005773.db2.gz BKRMJZJFCPUMMR-OAHLLOKOSA-N 0 3 360.418 1.796 20 5 FDBDHN COc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000301624264 259030828 /nfs/dbraw/zinc/03/08/28/259030828.db2.gz PDTPRIQAUSKXEK-CYBMUJFWSA-N 0 3 352.410 1.959 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301896056 259035428 /nfs/dbraw/zinc/03/54/28/259035428.db2.gz YUMPSZCTHBIKFP-ZFWWWQNUSA-N 0 3 371.397 1.136 20 5 FDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000301966134 259036810 /nfs/dbraw/zinc/03/68/10/259036810.db2.gz OICWFADOPMYYLP-KRWDZBQOSA-N 0 3 362.430 1.660 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000302415975 259042274 /nfs/dbraw/zinc/04/22/74/259042274.db2.gz HVCCQDWJOPMLIV-QGZVFWFLSA-N 0 3 358.402 1.040 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000302509585 259042634 /nfs/dbraw/zinc/04/26/34/259042634.db2.gz SDHTYEDFAMVKFM-LBPRGKRZSA-N 0 3 350.419 1.236 20 5 FDBDHN CN(C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000330791030 259163008 /nfs/dbraw/zinc/16/30/08/259163008.db2.gz SZWDLBIIJJELEM-LLVKDONJSA-N 0 3 355.416 1.022 20 5 FDBDHN CS[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000331376983 259190178 /nfs/dbraw/zinc/19/01/78/259190178.db2.gz DSGFXUJQLDTJER-UONOGXRCSA-N 0 3 367.475 1.565 20 5 FDBDHN COc1c(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000331417999 259194201 /nfs/dbraw/zinc/19/42/01/259194201.db2.gz KLLNBDGPESGRDA-KBPBESRZSA-N 0 3 363.414 1.929 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364605057 259764566 /nfs/dbraw/zinc/76/45/66/259764566.db2.gz WFLILSQSRBFNFO-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN Cn1cc(C[C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000368255599 260157768 /nfs/dbraw/zinc/15/77/68/260157768.db2.gz VEWCPLFCMDUOEJ-GDBMZVCRSA-N 0 3 360.414 1.633 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368399063 260177271 /nfs/dbraw/zinc/17/72/71/260177271.db2.gz HSQRDYWXBMZCTR-UKRRQHHQSA-N 0 3 360.414 1.703 20 5 FDBDHN CNC(=O)c1ccc(N2CCCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000368721002 260227470 /nfs/dbraw/zinc/22/74/70/260227470.db2.gz CMTWTJMDGYFUTD-UHFFFAOYSA-N 0 3 350.419 1.237 20 5 FDBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000373316361 261000792 /nfs/dbraw/zinc/00/07/92/261000792.db2.gz HQOCMUGGZPCMIO-CYBMUJFWSA-N 0 3 362.434 1.044 20 5 FDBDHN Cn1nnnc1N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374602703 261160858 /nfs/dbraw/zinc/16/08/58/261160858.db2.gz IUGYSLRREBDKLS-UHFFFAOYSA-N 0 3 351.798 1.530 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000374806883 261201074 /nfs/dbraw/zinc/20/10/74/261201074.db2.gz NSZRGUQJLODIJW-IPYPFGDCSA-N 0 3 362.430 1.796 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375338625 261317538 /nfs/dbraw/zinc/31/75/38/261317538.db2.gz SBZHIJGLPBDPRT-WBMJQRKESA-N 0 3 366.805 1.834 20 5 FDBDHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375376812 261326869 /nfs/dbraw/zinc/32/68/69/261326869.db2.gz CURAZHFKVYNQAF-KGLIPLIRSA-N 0 3 350.423 1.622 20 5 FDBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000375475072 261347786 /nfs/dbraw/zinc/34/77/86/261347786.db2.gz UXILKJDISNABGW-CVEARBPZSA-N 0 3 362.430 1.427 20 5 FDBDHN Cc1c(C(=O)NC2CCN(C3CC3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000029094822 519267651 /nfs/dbraw/zinc/26/76/51/519267651.db2.gz OOBWFIXFYFGUIJ-UHFFFAOYSA-N 0 3 370.413 1.841 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069529612 521904577 /nfs/dbraw/zinc/90/45/77/521904577.db2.gz IQHMZZZXXDZNBB-GFCCVEGCSA-N 0 3 365.386 1.207 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000069901723 521971496 /nfs/dbraw/zinc/97/14/96/521971496.db2.gz MCBGZXPSVCNPNZ-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2ccncc2)CC1 ZINC000045295049 522067893 /nfs/dbraw/zinc/06/78/93/522067893.db2.gz LONIBVWCVHORID-UHFFFAOYSA-N 0 3 352.354 1.829 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000045744222 522148226 /nfs/dbraw/zinc/14/82/26/522148226.db2.gz YRPFQNMXYVHSOB-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@H](C)O1 ZINC000076269925 523059621 /nfs/dbraw/zinc/05/96/21/523059621.db2.gz QKQRAEFALNPAJL-TXEJJXNPSA-N 0 3 350.423 1.293 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067301574 523384651 /nfs/dbraw/zinc/38/46/51/523384651.db2.gz FQYIZYWNVYHELN-OAHLLOKOSA-N 0 3 374.401 1.016 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000067766381 523576206 /nfs/dbraw/zinc/57/62/06/523576206.db2.gz ZMIHQARQMZQVKY-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN Cc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000068497919 523803591 /nfs/dbraw/zinc/80/35/91/523803591.db2.gz NAVKZJUATVPSNB-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@H]1CN ZINC000156969544 524185283 /nfs/dbraw/zinc/18/52/83/524185283.db2.gz RUXVGQJDETXTAQ-QMTHXVAHSA-N 0 3 355.416 1.198 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000121781602 524360707 /nfs/dbraw/zinc/36/07/07/524360707.db2.gz HUYVGTCKXBXLPH-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN COCCCN(C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087125000 524414557 /nfs/dbraw/zinc/41/45/57/524414557.db2.gz MUFKBOIMVOXBBU-UHFFFAOYSA-N 0 3 350.419 1.631 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000158268955 524435563 /nfs/dbraw/zinc/43/55/63/524435563.db2.gz YUFRGSWGNPQCSR-UHFFFAOYSA-N 0 3 350.419 1.960 20 5 FDBDHN CN(C)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000122163308 524465666 /nfs/dbraw/zinc/46/56/66/524465666.db2.gz ZMXQOSYGIGVDPC-UHFFFAOYSA-N 0 3 361.395 1.123 20 5 FDBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000122163308 524465671 /nfs/dbraw/zinc/46/56/71/524465671.db2.gz ZMXQOSYGIGVDPC-UHFFFAOYSA-N 0 3 361.395 1.123 20 5 FDBDHN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)NC1CCN(C2CC2)CC1 ZINC000158659534 524507766 /nfs/dbraw/zinc/50/77/66/524507766.db2.gz ZYTZGIYKZJXDIZ-UHFFFAOYSA-N 0 3 354.794 1.153 20 5 FDBDHN COc1cccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000158837261 524538653 /nfs/dbraw/zinc/53/86/53/524538653.db2.gz WALIYQQIYCLVEB-AWEZNQCLSA-N 0 3 359.386 1.893 20 5 FDBDHN CCOc1ccc(NC(=O)CN(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000089897804 524541235 /nfs/dbraw/zinc/54/12/35/524541235.db2.gz QTANRHVQSWLTMJ-UHFFFAOYSA-N 0 3 350.419 1.960 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000122471609 524545404 /nfs/dbraw/zinc/54/54/04/524545404.db2.gz GCOKUEZWQVJOCN-OAHLLOKOSA-N 0 3 364.446 1.363 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174348528 524546267 /nfs/dbraw/zinc/54/62/67/524546267.db2.gz PIZAUJWOMQGFDA-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN C[C@H](CC1CCOCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015353 524574679 /nfs/dbraw/zinc/57/46/79/524574679.db2.gz MOTXTMMOKBKDBH-CYBMUJFWSA-N 0 3 371.459 1.668 20 5 FDBDHN CCCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090517211 524600646 /nfs/dbraw/zinc/60/06/46/524600646.db2.gz QNSLFTOELTVVSY-UHFFFAOYSA-N 0 3 364.446 1.775 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000122731775 524605646 /nfs/dbraw/zinc/60/56/46/524605646.db2.gz ORNJNVYQVLFHLO-STQMWFEESA-N 0 3 351.403 1.923 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCN1CCN(C)CC1 ZINC000174715507 524703950 /nfs/dbraw/zinc/70/39/50/524703950.db2.gz BXEBMHAQTHQMTO-HNNXBMFYSA-N 0 3 363.462 1.491 20 5 FDBDHN C[C@@H]1CN(CC2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C[C@H](C)O1 ZINC000091478664 524713086 /nfs/dbraw/zinc/71/30/86/524713086.db2.gz LNKUDYOLWKIEDW-OKILXGFUSA-N 0 3 374.445 1.963 20 5 FDBDHN CN1CCN(CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000159714623 524725309 /nfs/dbraw/zinc/72/53/09/524725309.db2.gz SQCXQBFGFQXVOV-UHFFFAOYSA-N 0 3 363.462 1.464 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000160112996 524811459 /nfs/dbraw/zinc/81/14/59/524811459.db2.gz RYBJEIUDLWAAEF-ZDUSSCGKSA-N 0 3 366.466 1.274 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000123841206 524842866 /nfs/dbraw/zinc/84/28/66/524842866.db2.gz FWFISAYMOWPIDW-ZDUSSCGKSA-N 0 3 350.419 1.513 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643956 524846099 /nfs/dbraw/zinc/84/60/99/524846099.db2.gz GLMXXLFCGLRTPI-MRXNPFEDSA-N 0 3 357.414 1.962 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000152508764 524909979 /nfs/dbraw/zinc/90/99/79/524909979.db2.gz SBUBAYUWXNNQBT-QGZVFWFLSA-N 0 3 350.419 1.237 20 5 FDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124425202 524984999 /nfs/dbraw/zinc/98/49/99/524984999.db2.gz WNDTVWXIKFJSEF-JTQLQIEISA-N 0 3 355.338 1.875 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000152867813 525033148 /nfs/dbraw/zinc/03/31/48/525033148.db2.gz NSAIZUSVSGVGFX-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000176184345 525062452 /nfs/dbraw/zinc/06/24/52/525062452.db2.gz ZYOOOUSJERRXHQ-CQSZACIVSA-N 0 3 364.446 1.968 20 5 FDBDHN COc1cc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000116451262 525159561 /nfs/dbraw/zinc/15/95/61/525159561.db2.gz VGKHQCADDHJXCB-CQSZACIVSA-N 0 3 351.403 1.426 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000162028735 525203541 /nfs/dbraw/zinc/20/35/41/525203541.db2.gz MSFGHYBPMCIDNJ-OAHLLOKOSA-N 0 3 353.444 1.637 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000125913654 525251128 /nfs/dbraw/zinc/25/11/28/525251128.db2.gz BXAKUPQQGLVUJV-HIFRSBDPSA-N 0 3 357.414 1.969 20 5 FDBDHN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000177784896 525346557 /nfs/dbraw/zinc/34/65/57/525346557.db2.gz MOVDKPVHBRMKEB-GDBMZVCRSA-N 0 3 362.430 1.572 20 5 FDBDHN O=C(NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000178044400 525375791 /nfs/dbraw/zinc/37/57/91/525375791.db2.gz BFFCYWUVJQQYCM-HNNXBMFYSA-N 0 3 357.414 1.933 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000118120958 525464971 /nfs/dbraw/zinc/46/49/71/525464971.db2.gz BZYXHDFUYBGYBO-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN CN1CCO[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000154354580 525505151 /nfs/dbraw/zinc/50/51/51/525505151.db2.gz XQALXWSGJWRHEF-DOTOQJQBSA-N 0 3 358.398 1.807 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000164837155 525532382 /nfs/dbraw/zinc/53/23/82/525532382.db2.gz YNNXAEYGJYKUJQ-CVEARBPZSA-N 0 3 367.471 1.883 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000179514482 525593577 /nfs/dbraw/zinc/59/35/77/525593577.db2.gz KJDCHDRZMDBJHG-CHWSQXEVSA-N 0 3 373.413 1.857 20 5 FDBDHN CN1CCC(Oc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000154938351 525690982 /nfs/dbraw/zinc/69/09/82/525690982.db2.gz DANPFRMXLBRHJX-UHFFFAOYSA-N 0 3 374.401 1.688 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1C ZINC000119616145 525806611 /nfs/dbraw/zinc/80/66/11/525806611.db2.gz MXUFQPKBEROAAC-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000171040195 525812948 /nfs/dbraw/zinc/81/29/48/525812948.db2.gz NGDYFXFVGRRYOM-UHFFFAOYSA-N 0 3 361.402 1.507 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000106963295 525835184 /nfs/dbraw/zinc/83/51/84/525835184.db2.gz DHGVNRHSYOBCBM-CYBMUJFWSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000155410362 525856041 /nfs/dbraw/zinc/85/60/41/525856041.db2.gz ZVTJTYPDDOPNBQ-CQSZACIVSA-N 0 3 372.429 1.918 20 5 FDBDHN COCCN(C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171129765 525863468 /nfs/dbraw/zinc/86/34/68/525863468.db2.gz HQSUTBBEVUIZMT-UHFFFAOYSA-N 0 3 364.446 1.506 20 5 FDBDHN COCCN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171168005 525879868 /nfs/dbraw/zinc/87/98/68/525879868.db2.gz HPSCRPSQPLBIQQ-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN CN(C)CCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000132706069 525986919 /nfs/dbraw/zinc/98/69/19/525986919.db2.gz IUSUPKJWQSPBAO-UHFFFAOYSA-N 0 3 374.397 1.013 20 5 FDBDHN NC(=O)C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000182008313 526016889 /nfs/dbraw/zinc/01/68/89/526016889.db2.gz FMKYMRCLIVPFNB-INIZCTEOSA-N 0 3 374.441 1.898 20 5 FDBDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000156415350 526129874 /nfs/dbraw/zinc/12/98/74/526129874.db2.gz NUECNMVDPAFVPO-GFCCVEGCSA-N 0 3 360.208 1.902 20 5 FDBDHN CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000109984614 526212759 /nfs/dbraw/zinc/21/27/59/526212759.db2.gz NTWIXKMXKHGFGN-CYBMUJFWSA-N 0 3 364.402 1.393 20 5 FDBDHN CC1CCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109986203 526213081 /nfs/dbraw/zinc/21/30/81/526213081.db2.gz LDZLBIAMNLTVPS-UHFFFAOYSA-N 0 3 358.398 1.898 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110018699 526216156 /nfs/dbraw/zinc/21/61/56/526216156.db2.gz PENDUQYRDORTCK-UHFFFAOYSA-N 0 3 353.398 1.026 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000183881215 536061058 /nfs/dbraw/zinc/06/10/58/536061058.db2.gz ACBWRBKBWXIPLO-JSGCOSHPSA-N 0 3 360.414 1.374 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000184358564 536137570 /nfs/dbraw/zinc/13/75/70/536137570.db2.gz UVGZLQSCSARJNH-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186963153 536250741 /nfs/dbraw/zinc/25/07/41/536250741.db2.gz MRAULWRSYBXSJL-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246494861 536966163 /nfs/dbraw/zinc/96/61/63/536966163.db2.gz XMCBCYDLKLJAKY-JSGCOSHPSA-N 0 3 371.459 1.954 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000246581102 536985438 /nfs/dbraw/zinc/98/54/38/536985438.db2.gz ICDZTCGHASUVGW-JSGCOSHPSA-N 0 3 374.397 1.445 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189686902 537081972 /nfs/dbraw/zinc/08/19/72/537081972.db2.gz UQASDGIZRRIPFU-CYBMUJFWSA-N 0 3 355.366 1.800 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247780025 537149691 /nfs/dbraw/zinc/14/96/91/537149691.db2.gz XKUDSVCIOMKIRB-JSGCOSHPSA-N 0 3 371.459 1.954 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193640807 537253226 /nfs/dbraw/zinc/25/32/26/537253226.db2.gz RXZWVWPNKXLQBR-MRXNPFEDSA-N 0 3 372.429 1.699 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1Cn1ccnn1 ZINC000363670427 537272603 /nfs/dbraw/zinc/27/26/03/537272603.db2.gz JRMHFNOOXKWGHS-HUUCEWRRSA-N 0 3 361.402 1.481 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000349978368 537462568 /nfs/dbraw/zinc/46/25/68/537462568.db2.gz CYYWVLZMHJUCJW-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000280823629 537469174 /nfs/dbraw/zinc/46/91/74/537469174.db2.gz YJOXADSULBSCQW-CYBMUJFWSA-N 0 3 352.439 1.474 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000288383975 537493412 /nfs/dbraw/zinc/49/34/12/537493412.db2.gz PIWIPAOONCDIOL-HNNXBMFYSA-N 0 3 362.430 1.006 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299244506 537505726 /nfs/dbraw/zinc/50/57/26/537505726.db2.gz KIPYSXCTFIEKSQ-SNVBAGLBSA-N 0 3 354.794 1.739 20 5 FDBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000284763704 537516352 /nfs/dbraw/zinc/51/63/52/537516352.db2.gz MKWCSLYPABUISP-FUHWJXTLSA-N 0 3 359.430 1.011 20 5 FDBDHN C[C@@H](CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289941268 537630851 /nfs/dbraw/zinc/63/08/51/537630851.db2.gz PRWTUJJRCZUUSZ-MRVPVSSYSA-N 0 3 350.156 1.917 20 5 FDBDHN CN(C)CCN(C)c1c(I)cncc1[N+](=O)[O-] ZINC000418891820 537826457 /nfs/dbraw/zinc/82/64/57/537826457.db2.gz MLBKZXDRLLKAML-UHFFFAOYSA-N 0 3 350.160 1.592 20 5 FDBDHN COC[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411907075 537895642 /nfs/dbraw/zinc/89/56/42/537895642.db2.gz FCRFUWVJIDEDHG-RYUDHWBXSA-N 0 3 353.375 1.014 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000369352075 538015996 /nfs/dbraw/zinc/01/59/96/538015996.db2.gz BWQDYOUBKCNIDT-CQSZACIVSA-N 0 3 350.394 1.586 20 5 FDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440402514 538234879 /nfs/dbraw/zinc/23/48/79/538234879.db2.gz BCKPCWQICMWSSQ-NSHDSACASA-N 0 3 366.237 1.619 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424415497 538292333 /nfs/dbraw/zinc/29/23/33/538292333.db2.gz JPZWPJSCDOTPBN-UONOGXRCSA-N 0 3 358.402 1.904 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](O)CN1CCCCC1 ZINC000429212476 538340550 /nfs/dbraw/zinc/34/05/50/538340550.db2.gz PYQKNHYYUUSMCH-ZDUSSCGKSA-N 0 3 351.403 1.949 20 5 FDBDHN C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000477124786 538602062 /nfs/dbraw/zinc/60/20/62/538602062.db2.gz FQSHTVFVVMSQIY-RYUDHWBXSA-N 0 3 356.448 1.740 20 5 FDBDHN CC(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000495378743 538657063 /nfs/dbraw/zinc/65/70/63/538657063.db2.gz FOLLQTRDXSIPQY-DZGCQCFKSA-N 0 3 359.390 1.182 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488932939 538775479 /nfs/dbraw/zinc/77/54/79/538775479.db2.gz JFKQXXQTPWCDTI-LBPRGKRZSA-N 0 3 351.359 1.164 20 5 FDBDHN CCC[C@@](C)(N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000497724381 538783279 /nfs/dbraw/zinc/78/32/79/538783279.db2.gz BFGFAOAYRXGNOW-OAHLLOKOSA-N 0 3 354.432 1.458 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[C@H]1C ZINC000469482141 538797705 /nfs/dbraw/zinc/79/77/05/538797705.db2.gz PSLSQJXCVHRKFU-YPMHNXCESA-N 0 3 352.439 1.380 20 5 FDBDHN CNc1nccc(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000561083610 545678397 /nfs/dbraw/zinc/67/83/97/545678397.db2.gz QBVWMRMHLWLJDV-UHFFFAOYSA-N 0 3 357.414 2.283 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000562062537 546023608 /nfs/dbraw/zinc/02/36/08/546023608.db2.gz WUFREHXDYDRPSK-ZIAGYGMSSA-N 0 3 370.475 1.825 20 5 FDBDHN Cn1cc(C(=O)N[C@@H]2CNCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564656288 546991627 /nfs/dbraw/zinc/99/16/27/546991627.db2.gz SDWQVHXADZQURG-CYBMUJFWSA-N 0 3 365.340 1.722 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000566115079 547611370 /nfs/dbraw/zinc/61/13/70/547611370.db2.gz BTOQVKCAULZOAL-OAHLLOKOSA-N 0 3 359.382 1.953 20 5 FDBDHN O=C1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000566473431 547774291 /nfs/dbraw/zinc/77/42/91/547774291.db2.gz AVHBICDNYCMMFX-PBHICJAKSA-N 0 3 374.441 1.105 20 5 FDBDHN CO[C@H](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567892313 548313267 /nfs/dbraw/zinc/31/32/67/548313267.db2.gz PYWAWHHFAPXDMI-GFCCVEGCSA-N 0 3 370.349 1.926 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000569644672 548992350 /nfs/dbraw/zinc/99/23/50/548992350.db2.gz HWQFKTMEPTVYFM-MRXNPFEDSA-N 0 3 370.475 1.654 20 5 FDBDHN CN(C)S(=O)(=O)N1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000570411919 549271133 /nfs/dbraw/zinc/27/11/33/549271133.db2.gz UMBPXYRTLQMUIF-IUODEOHRSA-N 0 3 368.459 1.443 20 5 FDBDHN CN(C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000572305848 549886741 /nfs/dbraw/zinc/88/67/41/549886741.db2.gz BMGVFRBHMDWJNA-LBPRGKRZSA-N 0 3 352.782 1.259 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000573136880 550073269 /nfs/dbraw/zinc/07/32/69/550073269.db2.gz AICPVJWBRXMPRJ-HNNXBMFYSA-N 0 3 365.478 2.463 20 5 FDBDHN N[C@H]1C[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935565 550492917 /nfs/dbraw/zinc/49/29/17/550492917.db2.gz YUSLBEOZHONXST-ZBFHGGJFSA-N 0 3 356.382 1.599 20 5 FDBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575971917 550496664 /nfs/dbraw/zinc/49/66/64/550496664.db2.gz YWDSSRPHJWNSME-UHFFFAOYSA-N 0 3 368.397 1.947 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000579732489 550904816 /nfs/dbraw/zinc/90/48/16/550904816.db2.gz VJYIXPVUUNEJIT-WFASDCNBSA-N 0 3 357.414 2.453 20 5 FDBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000580545951 550993257 /nfs/dbraw/zinc/99/32/57/550993257.db2.gz BEDALGOZXUSZGH-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N1CCN(C)CC1 ZINC000587101032 551630372 /nfs/dbraw/zinc/63/03/72/551630372.db2.gz MXOCJPOKKGNVJG-MRXNPFEDSA-N 0 3 351.451 1.353 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588868855 551695327 /nfs/dbraw/zinc/69/53/27/551695327.db2.gz HERQYDWKYQZHCV-HNNXBMFYSA-N 0 3 362.430 1.382 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000589932896 551752635 /nfs/dbraw/zinc/75/26/35/551752635.db2.gz VKKCPXDGQRSZRM-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)CC1 ZINC000590400618 551780441 /nfs/dbraw/zinc/78/04/41/551780441.db2.gz WXMRRYHJJPIGGK-UHFFFAOYSA-N 0 3 357.414 1.396 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000590549689 551791053 /nfs/dbraw/zinc/79/10/53/551791053.db2.gz NTLYLDFBNBQPLH-CABCVRRESA-N 0 3 363.414 1.340 20 5 FDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590589855 551795731 /nfs/dbraw/zinc/79/57/31/551795731.db2.gz RFBIWFUWRAZPHW-QWRGUYRKSA-N 0 3 371.415 1.079 20 5 FDBDHN CC[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590646164 551801421 /nfs/dbraw/zinc/80/14/21/551801421.db2.gz XZMFKCWSFQBJHJ-CHWSQXEVSA-N 0 3 357.432 1.420 20 5 FDBDHN CO[C@H](CN)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000591672138 551895083 /nfs/dbraw/zinc/89/50/83/551895083.db2.gz DCEHGZUVIGXJSY-GXTWGEPZSA-N 0 3 353.375 1.068 20 5 FDBDHN COC(=O)c1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000591728936 551904250 /nfs/dbraw/zinc/90/42/50/551904250.db2.gz BONPEPGHSLLQDA-INIZCTEOSA-N 0 3 360.366 1.911 20 5 FDBDHN COc1cccc2c1OC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000591733879 551904877 /nfs/dbraw/zinc/90/48/77/551904877.db2.gz YSBPYEAORYGHNF-CABCVRRESA-N 0 3 374.393 1.936 20 5 FDBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591773548 551907835 /nfs/dbraw/zinc/90/78/35/551907835.db2.gz HOESWZOHCSFZAO-QGZVFWFLSA-N 0 3 374.445 1.325 20 5 FDBDHN COC(=O)[C@](C)(O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132552 551947552 /nfs/dbraw/zinc/94/75/52/551947552.db2.gz JBLZYYPGGQUUBP-IIDMSEBBSA-N 0 3 366.414 1.624 20 5 FDBDHN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)NC1CCN(C2CC2)CC1 ZINC000592360467 551984601 /nfs/dbraw/zinc/98/46/01/551984601.db2.gz JXTHHSJSYVXIHK-UHFFFAOYSA-N 0 3 374.441 1.378 20 5 FDBDHN COc1ccc(CC(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898272 552040279 /nfs/dbraw/zinc/04/02/79/552040279.db2.gz DDZXVZWYEAABER-UHFFFAOYSA-N 0 3 363.414 1.469 20 5 FDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593064595 552057325 /nfs/dbraw/zinc/05/73/25/552057325.db2.gz RLTBYANKSLFHGL-QWHCGFSZSA-N 0 3 353.375 1.014 20 5 FDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](Cc2ccccc2)C1 ZINC000593090424 552060850 /nfs/dbraw/zinc/06/08/50/552060850.db2.gz XCQHQIJMCDMFET-GOSISDBHSA-N 0 3 356.426 1.615 20 5 FDBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593530239 552124551 /nfs/dbraw/zinc/12/45/51/552124551.db2.gz IAWLIIBLOZAOBL-CHWSQXEVSA-N 0 3 356.448 1.636 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594327979 552289858 /nfs/dbraw/zinc/28/98/58/552289858.db2.gz YINMQLCITVTKOV-HOCLYGCPSA-N 0 3 360.414 1.975 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000594753375 552370979 /nfs/dbraw/zinc/37/09/79/552370979.db2.gz AFRSIXDMGVNLJM-CYBMUJFWSA-N 0 3 354.432 1.629 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000594854650 552410377 /nfs/dbraw/zinc/41/03/77/552410377.db2.gz UVNBFFHYVXXIPO-LBPRGKRZSA-N 0 3 371.463 1.497 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000594854650 552410378 /nfs/dbraw/zinc/41/03/78/552410378.db2.gz UVNBFFHYVXXIPO-LBPRGKRZSA-N 0 3 371.463 1.497 20 5 FDBDHN COC1([C@H](C)[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000595019067 552437808 /nfs/dbraw/zinc/43/78/08/552437808.db2.gz HDFOOPOPCWMONH-LBPRGKRZSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCn1cc(C(N)=O)nn1 ZINC000595045077 552441963 /nfs/dbraw/zinc/44/19/63/552441963.db2.gz RATJJHGICHKVRR-LLVKDONJSA-N 0 3 362.390 1.425 20 5 FDBDHN CCOc1ccc([C@H](C)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595077570 552445773 /nfs/dbraw/zinc/44/57/73/552445773.db2.gz JRGFAMOOBSDJLW-GUYCJALGSA-N 0 3 354.403 1.812 20 5 FDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595122092 552457880 /nfs/dbraw/zinc/45/78/80/552457880.db2.gz QVJGTDRNEMFINZ-ZETCQYMHSA-N 0 3 352.210 1.244 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595385254 552544473 /nfs/dbraw/zinc/54/44/73/552544473.db2.gz XMJSDWYVMPWJCI-AWEZNQCLSA-N 0 3 369.443 1.123 20 5 FDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595592867 552589717 /nfs/dbraw/zinc/58/97/17/552589717.db2.gz RTXPPGCNKKRSOX-DLBZAZTESA-N 0 3 360.410 1.870 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@](CO)(OC)C1 ZINC000595662107 552599315 /nfs/dbraw/zinc/59/93/15/552599315.db2.gz LWIKMISDWJYQPW-KRWDZBQOSA-N 0 3 367.402 1.405 20 5 FDBDHN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684199 552602807 /nfs/dbraw/zinc/60/28/07/552602807.db2.gz LFQZUYRBIVKEIF-GDBMZVCRSA-N 0 3 350.375 1.138 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000595849516 552623236 /nfs/dbraw/zinc/62/32/36/552623236.db2.gz MVAHWZDRDLDWGK-TXEJJXNPSA-N 0 3 365.386 1.815 20 5 FDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595850756 552623380 /nfs/dbraw/zinc/62/33/80/552623380.db2.gz ODCQPOKPBKSJPT-HOCLYGCPSA-N 0 3 365.430 1.571 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CNCCO2)CC1 ZINC000595891076 552629349 /nfs/dbraw/zinc/62/93/49/552629349.db2.gz KKZPCCCTMVGKQN-CYBMUJFWSA-N 0 3 374.363 1.724 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000596051149 552650132 /nfs/dbraw/zinc/65/01/32/552650132.db2.gz MHEHAEAQUICFSX-VIFPVBQESA-N 0 3 355.338 1.722 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000596051148 552650262 /nfs/dbraw/zinc/65/02/62/552650262.db2.gz MHEHAEAQUICFSX-SECBINFHSA-N 0 3 355.338 1.722 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(F)ccc2OC(F)F)c1 ZINC000596066785 552651943 /nfs/dbraw/zinc/65/19/43/552651943.db2.gz QXYWGSYBHYUNKO-LBPRGKRZSA-N 0 3 360.292 1.683 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091150 552654116 /nfs/dbraw/zinc/65/41/16/552654116.db2.gz WPRJWLMLOBLPPV-LBPRGKRZSA-N 0 3 362.386 1.146 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596209822 552664825 /nfs/dbraw/zinc/66/48/25/552664825.db2.gz SDQIJAMHTQWBEZ-GOSISDBHSA-N 0 3 357.414 1.645 20 5 FDBDHN CCOC(=O)c1ccnc(N2CCC(N3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596538583 552687196 /nfs/dbraw/zinc/68/71/96/552687196.db2.gz MHASGZSNVVQMEO-ZDUSSCGKSA-N 0 3 364.402 1.202 20 5 FDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000597926074 552846506 /nfs/dbraw/zinc/84/65/06/552846506.db2.gz UHDZOTUPYSHFKD-ZDUSSCGKSA-N 0 3 358.402 1.778 20 5 FDBDHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000597991245 552853447 /nfs/dbraw/zinc/85/34/47/552853447.db2.gz PPGNGSZKMSPXPT-INIZCTEOSA-N 0 3 356.382 1.486 20 5 FDBDHN CCOc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598188465 552874198 /nfs/dbraw/zinc/87/41/98/552874198.db2.gz TUWQFIGWILDTHQ-UHFFFAOYSA-N 0 3 366.418 1.086 20 5 FDBDHN COc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000598377175 552890418 /nfs/dbraw/zinc/89/04/18/552890418.db2.gz ULPXIJLYBJNXTQ-LBPRGKRZSA-N 0 3 367.377 1.726 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000598536591 552907100 /nfs/dbraw/zinc/90/71/00/552907100.db2.gz TXUXZULQNVHAGD-CQSZACIVSA-N 0 3 365.434 1.202 20 5 FDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598588381 552911918 /nfs/dbraw/zinc/91/19/18/552911918.db2.gz KOUPWGPGTITRQH-ZIAGYGMSSA-N 0 3 364.450 1.754 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000598913288 552943862 /nfs/dbraw/zinc/94/38/62/552943862.db2.gz IOCKFVDZFVXORV-GFCCVEGCSA-N 0 3 363.353 1.653 20 5 FDBDHN COc1ccc(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991059 552954767 /nfs/dbraw/zinc/95/47/67/552954767.db2.gz TZSJUJYNXUCMHI-GOSISDBHSA-N 0 3 365.430 1.309 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599009811 552957708 /nfs/dbraw/zinc/95/77/08/552957708.db2.gz LXMOTXADAVQEJG-BBRMVZONSA-N 0 3 350.371 1.804 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCC[C@H]1C(N)=O ZINC000599066472 552964292 /nfs/dbraw/zinc/96/42/92/552964292.db2.gz PJFIWLATOQTMRL-WFASDCNBSA-N 0 3 350.419 1.594 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165216 552977282 /nfs/dbraw/zinc/97/72/82/552977282.db2.gz NRGDUEGQGXCRER-GFCCVEGCSA-N 0 3 354.432 1.671 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585288 553095817 /nfs/dbraw/zinc/09/58/17/553095817.db2.gz FAANAVNMAJBWLX-VHDGCEQUSA-N 0 3 368.434 1.452 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000599682038 553120284 /nfs/dbraw/zinc/12/02/84/553120284.db2.gz ABMUXYMZFYXJGC-SWLSCSKDSA-N 0 3 361.358 1.735 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938457 553178279 /nfs/dbraw/zinc/17/82/79/553178279.db2.gz AWCHIAMMTUMCMW-GJZGRUSLSA-N 0 3 371.397 1.062 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938598 553178862 /nfs/dbraw/zinc/17/88/62/553178862.db2.gz QLUFGWGYEXVZMH-NJAFHUGGSA-N 0 3 361.442 1.831 20 5 FDBDHN O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601588748 553441161 /nfs/dbraw/zinc/44/11/61/553441161.db2.gz PMQVAXMVHXKGAW-IRXDYDNUSA-N 0 3 359.426 1.684 20 5 FDBDHN O=C1[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]2CCCCN12 ZINC000602689784 553622810 /nfs/dbraw/zinc/62/28/10/553622810.db2.gz YZVBXFHGWOJDRH-HOCLYGCPSA-N 0 3 359.430 1.702 20 5 FDBDHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000602800970 553641472 /nfs/dbraw/zinc/64/14/72/553641472.db2.gz JHPYGJUORKHOHV-HXUWFJFHSA-N 0 3 368.437 1.985 20 5 FDBDHN CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602874948 553657374 /nfs/dbraw/zinc/65/73/74/553657374.db2.gz WCADQUGEDAKSAY-WMLDXEAASA-N 0 3 351.447 1.997 20 5 FDBDHN CCC1(N2CCOCC2)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602917545 553669365 /nfs/dbraw/zinc/66/93/65/553669365.db2.gz MVRWFPPTVRXROU-UHFFFAOYSA-N 0 3 351.451 1.677 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000603383892 553776795 /nfs/dbraw/zinc/77/67/95/553776795.db2.gz PSBSMZZTGRDIJM-UHFFFAOYSA-N 0 3 367.471 1.885 20 5 FDBDHN Cn1cc(C(=O)N2CCN3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604502273 553881863 /nfs/dbraw/zinc/88/18/63/553881863.db2.gz JZXPSZSTEYPSTG-OAHLLOKOSA-N 0 3 355.398 1.916 20 5 FDBDHN Cc1nn(C)c(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000609190578 554347564 /nfs/dbraw/zinc/34/75/64/554347564.db2.gz IBJMHKCSIUVDKG-UHFFFAOYSA-N 0 3 351.407 1.012 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000609532594 554388678 /nfs/dbraw/zinc/38/86/78/554388678.db2.gz NCVRUVCLNDLGMX-WBMJQRKESA-N 0 3 360.414 1.266 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(CC)C1CC1 ZINC000609843626 554428276 /nfs/dbraw/zinc/42/82/76/554428276.db2.gz OMGDAEFNJIIZQQ-CYBMUJFWSA-N 0 3 352.439 1.428 20 5 FDBDHN CNC(=O)c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489287 554518131 /nfs/dbraw/zinc/51/81/31/554518131.db2.gz VJEGYLGHHPYMFG-OAHLLOKOSA-N 0 3 362.430 1.646 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000610896851 554577231 /nfs/dbraw/zinc/57/72/31/554577231.db2.gz NLSBAAMZNFBNHH-HNNXBMFYSA-N 0 3 353.444 1.541 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)C1 ZINC000611196118 554614217 /nfs/dbraw/zinc/61/42/17/554614217.db2.gz PGQINEYHJGKPGR-AWEZNQCLSA-N 0 3 371.441 1.928 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197711 554614588 /nfs/dbraw/zinc/61/45/88/554614588.db2.gz ZPQPAIBTINPQEQ-UHFFFAOYSA-N 0 3 359.386 1.387 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000611527232 554641731 /nfs/dbraw/zinc/64/17/31/554641731.db2.gz JVFRWUZMEFSMAF-CQSZACIVSA-N 0 3 362.430 1.894 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611558427 554646492 /nfs/dbraw/zinc/64/64/92/554646492.db2.gz ITDKWKSAMWUFCD-HNNXBMFYSA-N 0 3 362.430 1.541 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611558427 554646494 /nfs/dbraw/zinc/64/64/94/554646494.db2.gz ITDKWKSAMWUFCD-HNNXBMFYSA-N 0 3 362.430 1.541 20 5 FDBDHN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611558427 554646495 /nfs/dbraw/zinc/64/64/95/554646495.db2.gz ITDKWKSAMWUFCD-HNNXBMFYSA-N 0 3 362.430 1.541 20 5 FDBDHN Cn1cc(CN2CCN(CCO)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000615140521 555166330 /nfs/dbraw/zinc/16/63/30/555166330.db2.gz SYFGTNXZDFQKQU-UHFFFAOYSA-N 0 3 373.457 1.884 20 5 FDBDHN CSc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000618924262 555696606 /nfs/dbraw/zinc/69/66/06/555696606.db2.gz SXKBGNKZBZTLHM-MRXNPFEDSA-N 0 3 353.444 1.845 20 5 FDBDHN CO[C@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000619426805 555775260 /nfs/dbraw/zinc/77/52/60/555775260.db2.gz GCFMGODFXLLDEA-OLZOCXBDSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000619476852 555783909 /nfs/dbraw/zinc/78/39/09/555783909.db2.gz SXMVRCXWUZJYHY-NWDGAFQWSA-N 0 3 355.416 1.509 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000619482062 555784842 /nfs/dbraw/zinc/78/48/42/555784842.db2.gz MHXYENDRWGSRBX-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CS[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000290984007 567916110 /nfs/dbraw/zinc/91/61/10/567916110.db2.gz SDJTXPYTGRWBLB-NWDGAFQWSA-N 0 3 351.432 1.105 20 5 FDBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821581972 599268260 /nfs/dbraw/zinc/26/82/60/599268260.db2.gz ZNCULEQQGJBSPD-CYBMUJFWSA-N 0 3 368.401 1.755 20 5 FDBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821581972 599268262 /nfs/dbraw/zinc/26/82/62/599268262.db2.gz ZNCULEQQGJBSPD-CYBMUJFWSA-N 0 3 368.401 1.755 20 5 FDBDHN C[NH+](C)C1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736765612 599272189 /nfs/dbraw/zinc/27/21/89/599272189.db2.gz YTMFGEGGNRPQDP-UHFFFAOYSA-N 0 3 368.401 1.854 20 5 FDBDHN C[NH+](C)C1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736765612 599272190 /nfs/dbraw/zinc/27/21/90/599272190.db2.gz YTMFGEGGNRPQDP-UHFFFAOYSA-N 0 3 368.401 1.854 20 5 FDBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000821586295 607114690 /nfs/dbraw/zinc/11/46/90/607114690.db2.gz RLZZTEWVZFPWCW-UHFFFAOYSA-N 0 3 368.401 1.738 20 5 FDBDHN C[N@H+](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825941196 608375493 /nfs/dbraw/zinc/37/54/93/608375493.db2.gz DKIYPHAVTPPNLM-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN C[N@@H+](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825941196 608375495 /nfs/dbraw/zinc/37/54/95/608375495.db2.gz DKIYPHAVTPPNLM-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN C[N@H+](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825941196 608375497 /nfs/dbraw/zinc/37/54/97/608375497.db2.gz DKIYPHAVTPPNLM-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN C[N@@H+](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825941196 608375499 /nfs/dbraw/zinc/37/54/99/608375499.db2.gz DKIYPHAVTPPNLM-UHFFFAOYSA-N 0 3 354.374 1.829 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246107481 672490786 /nfs/dbraw/zinc/49/07/86/672490786.db2.gz HYAZGZLLVOGINO-GXTWGEPZSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249552104 672569527 /nfs/dbraw/zinc/56/95/27/672569527.db2.gz IIPWZOWAKUVOIK-ZDUSSCGKSA-N 0 3 350.419 1.230 20 5 FDBDHN COCCOC[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266619126 673160006 /nfs/dbraw/zinc/16/00/06/673160006.db2.gz YZEOYRQVQJGWKI-AWEZNQCLSA-N 0 3 354.403 1.967 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000267758968 673323331 /nfs/dbraw/zinc/32/33/31/673323331.db2.gz QBZSSOCHRHFZPP-UKRRQHHQSA-N 0 3 350.419 1.984 20 5 FDBDHN COC[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289663260 676164120 /nfs/dbraw/zinc/16/41/20/676164120.db2.gz ZCTCUOMMPVUJPD-NSHDSACASA-N 0 3 366.155 1.296 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000281667586 675542930 /nfs/dbraw/zinc/54/29/30/675542930.db2.gz KYGNBZRVVPPKLP-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281704769 675547910 /nfs/dbraw/zinc/54/79/10/675547910.db2.gz ZZIQBLUXRMULIP-UHFFFAOYSA-N 0 3 361.395 1.505 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292148896 676286754 /nfs/dbraw/zinc/28/67/54/676286754.db2.gz ZVSYCDVNWLYHCJ-OAHLLOKOSA-N 0 3 355.416 1.320 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000299459296 676536215 /nfs/dbraw/zinc/53/62/15/676536215.db2.gz XZJWZHGDHHINQP-ZDUSSCGKSA-N 0 3 369.443 1.852 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000362020208 676906208 /nfs/dbraw/zinc/90/62/08/676906208.db2.gz GUUWDNWONKIYFF-HZMBPMFUSA-N 0 3 366.805 1.739 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000363556852 676961791 /nfs/dbraw/zinc/96/17/91/676961791.db2.gz FPJCZUKELOAFLQ-UHFFFAOYSA-N 0 3 350.419 1.670 20 5 FDBDHN Cc1cc(OCC(=O)N2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000369796528 677517717 /nfs/dbraw/zinc/51/77/17/677517717.db2.gz OTOUGERBASRPCG-CQSZACIVSA-N 0 3 351.403 1.197 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000370426642 677576971 /nfs/dbraw/zinc/57/69/71/677576971.db2.gz YYWAAMSVSAHMQC-ZDUSSCGKSA-N 0 3 352.460 1.897 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377995267 678667557 /nfs/dbraw/zinc/66/75/57/678667557.db2.gz OQQDVWPZAVNUSN-HIFRSBDPSA-N 0 3 352.387 1.466 20 5 FDBDHN CN(C(=O)CNC(C)(C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000412005159 679141710 /nfs/dbraw/zinc/14/17/10/679141710.db2.gz UHMLRKCJKFEYSH-UHFFFAOYSA-N 0 3 350.419 1.258 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000416469054 679633410 /nfs/dbraw/zinc/63/34/10/679633410.db2.gz CHYUGDNEYQDRGO-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000427468520 680975887 /nfs/dbraw/zinc/97/58/87/680975887.db2.gz DOFLUUHCBMZFRK-UHFFFAOYSA-N 0 3 353.423 1.430 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000475113452 685560204 /nfs/dbraw/zinc/56/02/04/685560204.db2.gz UPRMSHPATYSQLE-YDHLFZDLSA-N 0 3 350.371 1.349 20 5 FDBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000450732677 682777008 /nfs/dbraw/zinc/77/70/08/682777008.db2.gz JMCPDTNYRMBPCZ-BDAKNGLRSA-N 0 3 360.208 1.902 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1CCO ZINC000458589746 684288457 /nfs/dbraw/zinc/28/84/57/684288457.db2.gz RGKPLUAJNJOXMA-INIZCTEOSA-N 0 3 350.419 1.283 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000468051243 684887311 /nfs/dbraw/zinc/88/73/11/684887311.db2.gz OFOBGPVWXSROOG-AAEUAGOBSA-N 0 3 350.423 1.180 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](OC)[C@@H](OC)C1 ZINC000488039055 687023686 /nfs/dbraw/zinc/02/36/86/687023686.db2.gz IPCKNTSGXAOYBY-GJZGRUSLSA-N 0 3 353.375 1.278 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000516216303 689931699 /nfs/dbraw/zinc/93/16/99/689931699.db2.gz UMMNYWSHCRVYID-KBPBESRZSA-N 0 3 362.411 1.465 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CC[NH+](C2CCCC2)CC1 ZINC000531142189 694822110 /nfs/dbraw/zinc/82/21/10/694822110.db2.gz VYJIBSLQGYPHAP-UHFFFAOYSA-N 0 3 354.432 1.675 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000532015120 694860258 /nfs/dbraw/zinc/86/02/58/694860258.db2.gz QQGHPJIFSKXSOX-TXEJJXNPSA-N 0 3 356.448 1.917 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000933332432 777280774 /nfs/dbraw/zinc/28/07/74/777280774.db2.gz YWPCJDKKXZPDAD-CABCVRRESA-N 0 3 374.441 1.511 20 5 FDBDHN COc1c(O)ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000891922893 780210512 /nfs/dbraw/zinc/21/05/12/780210512.db2.gz COXVWUSKCUNQGJ-KBPBESRZSA-N 0 3 351.403 1.340 20 5 FDBDHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000892819868 791334655 /nfs/dbraw/zinc/33/46/55/791334655.db2.gz SYVVNESPYQJGMF-KFWWJZLASA-N 0 3 362.430 1.861 20 5 FDBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000893046698 792648645 /nfs/dbraw/zinc/64/86/45/792648645.db2.gz HFXUPSBULYDGJI-CXAGYDPISA-N 0 3 363.418 1.965 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000378112090 793518454 /nfs/dbraw/zinc/51/84/54/793518454.db2.gz OEJKVJMIWQTRGU-HNNXBMFYSA-N 0 3 364.421 1.974 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 ZINC000828251627 793880234 /nfs/dbraw/zinc/88/02/34/793880234.db2.gz GUUYOBJYTAQIEW-UHFFFAOYSA-N 0 3 373.406 1.219 20 5 FDBDHN COc1cc(NC(=O)c2n[n-]c(C)c2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000416345847 794069628 /nfs/dbraw/zinc/06/96/28/794069628.db2.gz XZKKQEAUVRWAMP-UHFFFAOYSA-N 0 3 363.374 1.828 20 5 FDBDHN COc1cc(CCNC(=O)N2C[C@H](C)NC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000416927425 794799617 /nfs/dbraw/zinc/79/96/17/794799617.db2.gz VTFUISBGYSZESB-RYUDHWBXSA-N 0 3 366.418 1.546 20 5 FDBDHN Cc1cc(C2=CCN(C[C@H](O)Cn3cccn3)CC2)cc([N+](=O)[O-])c1N ZINC000365887631 795045962 /nfs/dbraw/zinc/04/59/62/795045962.db2.gz XZLOQTCOFSMEPX-INIZCTEOSA-N 0 3 357.414 1.832 20 5 FDBDHN CC(C)N(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](C)O ZINC000107043393 808051817 /nfs/dbraw/zinc/05/18/17/808051817.db2.gz KGLOFWNZRSIEPA-HNNXBMFYSA-N 0 3 364.446 1.335 20 5 FDBDHN COc1c(O)ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893860226 809772617 /nfs/dbraw/zinc/77/26/17/809772617.db2.gz RNEFKXZTXUSYEX-LBPRGKRZSA-N 0 3 353.419 1.586 20 5 FDBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000397576110 810540236 /nfs/dbraw/zinc/54/02/36/810540236.db2.gz CHIJGICIKLWNON-UHFFFAOYSA-N 0 3 359.382 1.945 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413115308 812012283 /nfs/dbraw/zinc/01/22/83/812012283.db2.gz FZZQYBMNDZAYIT-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000434462592 815572500 /nfs/dbraw/zinc/57/25/00/815572500.db2.gz HCDZNONPQUSOBO-CQSZACIVSA-N 0 3 358.402 1.317 20 5 FDBDHN COc1c(O)ccc(CN2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000894263743 814318341 /nfs/dbraw/zinc/31/83/41/814318341.db2.gz HUSKURKTRSBWBL-CQSZACIVSA-N 0 3 365.430 1.853 20 5 FDBDHN CN(CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000925006512 816432636 /nfs/dbraw/zinc/43/26/36/816432636.db2.gz YECVASIBSZRGOB-UHFFFAOYSA-N 0 3 364.171 1.150 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425547273 816514856 /nfs/dbraw/zinc/51/48/56/816514856.db2.gz LYGQXSAVYRVZAW-LLVKDONJSA-N 0 3 358.358 1.500 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000516207097 816701809 /nfs/dbraw/zinc/70/18/09/816701809.db2.gz SNGHDKKNEKIEAX-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN CN1CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000281716622 826180022 /nfs/dbraw/zinc/18/00/22/826180022.db2.gz IEPYTEWPMDLPCY-UHFFFAOYSA-N 0 3 359.430 1.832 20 5 FDBDHN CCOC(=O)c1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221562 827185804 /nfs/dbraw/zinc/18/58/04/827185804.db2.gz NGDYAUJUYBLSPC-IRXDYDNUSA-N 0 3 363.414 1.807 20 5 FDBDHN Cn1ccnc1[C@@H](NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000449387414 829479570 /nfs/dbraw/zinc/47/95/70/829479570.db2.gz LNIMGKNUXUNRBN-ROUUACIJSA-N 0 3 373.457 1.854 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000531583187 830808084 /nfs/dbraw/zinc/80/80/84/830808084.db2.gz NPBIBEWCLVYRJW-INIZCTEOSA-N 0 3 364.421 1.974 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000843790682 835672445 /nfs/dbraw/zinc/67/24/45/835672445.db2.gz NDXJJZXYVDZHLE-UHFFFAOYSA-N 0 3 368.390 1.770 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000455656379 838425674 /nfs/dbraw/zinc/42/56/74/838425674.db2.gz KLQYPVYWFRLKHU-UHFFFAOYSA-N 0 3 372.389 1.551 20 5 FDBDHN COCCCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842170953 845210136 /nfs/dbraw/zinc/21/01/36/845210136.db2.gz FEWUUOCNDPIVPK-UHFFFAOYSA-N 0 3 364.446 1.602 20 5 FDBDHN CC(=O)N[C@@H](C)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000481123895 846128515 /nfs/dbraw/zinc/12/85/15/846128515.db2.gz GRTNZLVTEYDBJP-XJKSGUPXSA-N 0 3 365.430 1.571 20 5 FDBDHN CN(C)CCn1nccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899941630 846915862 /nfs/dbraw/zinc/91/58/62/846915862.db2.gz JMVPKTWBSGCHHD-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN O=C(NCCNCc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938945 848703371 /nfs/dbraw/zinc/70/33/71/848703371.db2.gz OMVKUPDLAUSOHQ-BXUZGUMPSA-N 0 3 366.324 1.491 20 5 FDBDHN CN1CCC(N(CCO)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911941163 859170533 /nfs/dbraw/zinc/17/05/33/859170533.db2.gz GJMPTLCEYMIWHT-UHFFFAOYSA-N 0 3 357.357 1.602 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000456333593 866855451 /nfs/dbraw/zinc/85/54/51/866855451.db2.gz LSGIGWLUKDESNH-OAHLLOKOSA-N 0 3 357.414 1.772 20 5 FDBDHN CC1CCN([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000491447322 869299686 /nfs/dbraw/zinc/29/96/86/869299686.db2.gz ZXIRVNHCVINKBI-INIZCTEOSA-N 0 3 372.429 1.776 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000916966606 882736050 /nfs/dbraw/zinc/73/60/50/882736050.db2.gz CVNPGGYWHNHNFK-ZACQAIPSSA-N 0 3 368.336 1.591 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)c2ccccc2F)cc1 ZINC000914573110 874268622 /nfs/dbraw/zinc/26/86/22/874268622.db2.gz AROSGNGHXCCPMB-ZACQAIPSSA-N 0 3 350.346 1.451 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000762721211 876466517 /nfs/dbraw/zinc/46/65/17/876466517.db2.gz IPUMMGXJBVPZMC-GOSISDBHSA-N 0 3 362.430 1.382 20 5 FDBDHN CN1CCC(CCO)(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000499120229 886397143 /nfs/dbraw/zinc/39/71/43/886397143.db2.gz GORHCNCODFIQOT-UHFFFAOYSA-N 0 3 362.430 1.746 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000920447263 886939425 /nfs/dbraw/zinc/93/94/25/886939425.db2.gz FFTGXNNPJVOVOK-UHFFFAOYSA-N 0 3 374.445 1.088 20 5 FDBDHN CCC/C=C/CCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167925 903570733 /nfs/dbraw/zinc/57/07/33/903570733.db2.gz MURSNCBQNXEDCX-FZZYSBJUSA-N 0 3 362.434 1.163 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000730456870 916833124 /nfs/dbraw/zinc/83/31/24/916833124.db2.gz LMYFBCVJPNLFLI-ZFWWWQNUSA-N 0 3 356.386 1.329 20 5 FDBDHN O=C(NC[C@H]1C[C@@H](NCc2nnc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084348 925920948 /nfs/dbraw/zinc/92/09/48/925920948.db2.gz NKLQLWQFVISTCY-FAAHXZRKSA-N 0 3 371.397 1.386 20 5 FDBDHN O=C1CN(CN2CC[C@@H](N3CC=CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000742164091 925945891 /nfs/dbraw/zinc/94/58/91/925945891.db2.gz XOFIYRFYLZUGSW-MRXNPFEDSA-N 0 3 371.397 1.267 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169012258 928223068 /nfs/dbraw/zinc/22/30/68/928223068.db2.gz OUGMPOHLLNNOHR-XHSDSOJGSA-N 0 3 368.478 1.669 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000770171822 929912674 /nfs/dbraw/zinc/91/26/74/929912674.db2.gz FMSRYSDNIANHJI-ZDUSSCGKSA-N 0 3 368.409 1.255 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747325606 939899164 /nfs/dbraw/zinc/89/91/64/939899164.db2.gz OMDDWFZDFXRBDO-KBPBESRZSA-N 0 3 351.428 1.666 20 5 FDBDHN CC(COC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813104077 941326536 /nfs/dbraw/zinc/32/65/36/941326536.db2.gz JOIVLSBXGMOJHU-NKWVEPMBSA-N 0 3 365.205 1.837 20 5 FDBDHN CC(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813113484 941335811 /nfs/dbraw/zinc/33/58/11/941335811.db2.gz DVSMDARGYGXBHH-LLVKDONJSA-N 0 3 374.390 1.822 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000813113876 941336298 /nfs/dbraw/zinc/33/62/98/941336298.db2.gz KFAGAJJJVVLBKD-QWHCGFSZSA-N 0 3 370.427 1.929 20 5 FDBDHN Cc1ccc(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)cc1C ZINC000747966710 941697354 /nfs/dbraw/zinc/69/73/54/941697354.db2.gz BZWPINFBAWMLSF-LPHOPBHVSA-N 0 3 373.457 1.980 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1C[C@]12CCOC2 ZINC001195487981 970987856 /nfs/dbraw/zinc/98/78/56/970987856.db2.gz MOUHDODUCKKIPE-CJNGLKHVSA-N 0 3 369.443 1.232 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000819336247 943530894 /nfs/dbraw/zinc/53/08/94/943530894.db2.gz CWJFALHBCYBGQN-BBRMVZONSA-N 0 3 362.407 1.789 20 5 FDBDHN COCC1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000821337129 944444282 /nfs/dbraw/zinc/44/42/82/944444282.db2.gz SYBZVCUQZMZLJF-UHFFFAOYSA-N 0 3 357.794 1.972 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000844149481 947805754 /nfs/dbraw/zinc/80/57/54/947805754.db2.gz PZRBCRXHHSLNRE-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN O=[N+]([O-])c1cnn(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000844727341 948335514 /nfs/dbraw/zinc/33/55/14/948335514.db2.gz GIQDZJQYSNOTJY-MSOLQXFVSA-N 0 3 357.414 1.724 20 5 FDBDHN CC([C@H](OC(=O)[C@@H]1CCN(C)S1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881273 950059257 /nfs/dbraw/zinc/05/92/57/950059257.db2.gz LEHWVQBMJCVQMX-ICCXJUOJSA-N 0 3 360.363 1.109 20 5 FDBDHN CC([C@@H](OC(=O)CCn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882884 950064344 /nfs/dbraw/zinc/06/43/44/950064344.db2.gz PZYKFLSCVSQRQN-IINYFYTJSA-N 0 3 352.322 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366.370 1.621 20 5 FDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000861344148 983695038 /nfs/dbraw/zinc/69/50/38/983695038.db2.gz NDPVVDDXTLMRIX-BBRMVZONSA-N 0 3 354.407 1.451 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861715595 983864526 /nfs/dbraw/zinc/86/45/26/983864526.db2.gz NYHHGWDQSPSPOC-NEPJUHHUSA-N 0 3 371.796 1.597 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000872239879 987536436 /nfs/dbraw/zinc/53/64/36/987536436.db2.gz LZSKPVPUBDLOCQ-JKSUJKDBSA-N 0 3 354.428 1.773 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000360827686 988166870 /nfs/dbraw/zinc/16/68/70/988166870.db2.gz DSWGSMAFCQGWRN-CHWSQXEVSA-N 0 3 356.382 1.736 20 5 FDBDHN Cc1ccc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000825634300 988216725 /nfs/dbraw/zinc/21/67/25/988216725.db2.gz PIYJRDTVZVVIDA-IRXDYDNUSA-N 0 3 371.441 1.988 20 5 FDBDHN C[C@@H](N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)O ZINC000295182321 988626604 /nfs/dbraw/zinc/62/66/04/988626604.db2.gz PVYIFZVYUOOXEU-CQSZACIVSA-N 0 3 364.446 1.335 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363088604 988912775 /nfs/dbraw/zinc/91/27/75/988912775.db2.gz NFFIHNPLJPTJDM-HNNXBMFYSA-N 0 3 364.377 1.288 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000296097560 988961773 /nfs/dbraw/zinc/96/17/73/988961773.db2.gz UAHNSWIIDNKLNC-LBPRGKRZSA-N 0 3 366.393 1.971 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363395781 989160144 /nfs/dbraw/zinc/16/01/44/989160144.db2.gz NCJPVKAAGABBHD-OLZOCXBDSA-N 0 3 372.381 1.442 20 5 FDBDHN CCOc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000364162856 989504741 /nfs/dbraw/zinc/50/47/41/989504741.db2.gz VDYRLJOHJJPNAD-UHFFFAOYSA-N 0 3 365.430 1.912 20 5 FDBDHN C[C@H](NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1=CCN(C)CC1 ZINC000364370064 989550723 /nfs/dbraw/zinc/55/07/23/989550723.db2.gz QDXVZLRGMXGWLW-ZFWWWQNUSA-N 0 3 362.434 1.788 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000364650340 989699366 /nfs/dbraw/zinc/69/93/66/989699366.db2.gz GUZGBRFGXWFPLM-CQSZACIVSA-N 0 3 363.418 1.967 20 5 FDBDHN C[C@@H](N[C@@H]1CCCN(c2ccncn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000370901280 990106913 /nfs/dbraw/zinc/10/69/13/990106913.db2.gz XAYFDNVJADZYHV-UKRRQHHQSA-N 0 3 370.413 1.970 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298517409 990139479 /nfs/dbraw/zinc/13/94/79/990139479.db2.gz ZHNAOMGBACPNAJ-UHFFFAOYSA-N 0 3 363.414 1.529 20 5 FDBDHN CN1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372408789 991084175 /nfs/dbraw/zinc/08/41/75/991084175.db2.gz NJAHKXFSXVKPEE-GUYCJALGSA-N 0 3 355.398 1.995 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000876474717 992645840 /nfs/dbraw/zinc/64/58/40/992645840.db2.gz GLOGMJXNTQBPAE-KRWDZBQOSA-N 0 3 367.402 1.023 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891281 992770485 /nfs/dbraw/zinc/77/04/85/992770485.db2.gz HTPXJEHBXHGDTO-YOEHRIQHSA-N 0 3 364.446 1.018 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468696491 993608322 /nfs/dbraw/zinc/60/83/22/993608322.db2.gz WKMGOTGJZVZKMK-YVEFUNNKSA-N 0 3 360.414 1.850 20 5 FDBDHN COCCCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291244695 1000177235 /nfs/dbraw/zinc/17/72/35/1000177235.db2.gz PWYZOFINZPSVGP-UHFFFAOYSA-N 0 3 365.430 1.933 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)CCN(C)CC2)c1 ZINC000933991074 1005673743 /nfs/dbraw/zinc/67/37/43/1005673743.db2.gz YHMRKHVONOGDSM-UHFFFAOYSA-N 0 3 350.419 1.061 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000933993472 1005674318 /nfs/dbraw/zinc/67/43/18/1005674318.db2.gz DLPMTIQAVSICFC-HNNXBMFYSA-N 0 3 363.462 1.409 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934757359 1005794127 /nfs/dbraw/zinc/79/41/27/1005794127.db2.gz UQRFZQRTBWLQLR-RUZDIDTESA-N 0 3 372.495 1.386 20 5 FDBDHN Cn1cc(Cl)c(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000963791256 1012700503 /nfs/dbraw/zinc/70/05/03/1012700503.db2.gz QIBJDOLTYDBHIN-CKGXTUAHSA-N 0 3 367.837 1.256 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000507701472 538922245 /nfs/dbraw/zinc/92/22/45/538922245.db2.gz NPRQMKKQEBZZKF-UHFFFAOYSA-N 0 3 364.446 1.589 20 5 FDBDHN CC(C)C[C@@](C)(CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236696153 178280391 /nfs/dbraw/zinc/28/03/91/178280391.db2.gz CTHMCXSUTHSJGG-HNNXBMFYSA-N 0 3 357.432 1.492 20 5 FDBDHN C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000237554946 178319281 /nfs/dbraw/zinc/31/92/81/178319281.db2.gz RBPFQWQIIDZLQY-SFHVURJKSA-N 0 3 360.414 1.411 20 5 FDBDHN O=C(C[C@@H]1CSCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238047748 178345986 /nfs/dbraw/zinc/34/59/86/178345986.db2.gz XMXQIKHIQUSWER-NWDGAFQWSA-N 0 3 351.432 1.098 20 5 FDBDHN O=C1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000516964911 539337106 /nfs/dbraw/zinc/33/71/06/539337106.db2.gz CGPUDZXFXADOQU-WMLDXEAASA-N 0 3 371.393 1.730 20 5 FDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000517126056 539348709 /nfs/dbraw/zinc/34/87/09/539348709.db2.gz GRSMWVVMERPTIO-MRXNPFEDSA-N 0 3 369.377 1.983 20 5 FDBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519141356 539470905 /nfs/dbraw/zinc/47/09/05/539470905.db2.gz BCHBIGCDULKSEV-HNNXBMFYSA-N 0 3 359.382 1.354 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000519141396 539471410 /nfs/dbraw/zinc/47/14/10/539471410.db2.gz DFWSBZAAYRWFNZ-IIAWOOMASA-N 0 3 353.419 1.033 20 5 FDBDHN O=C1CN(CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1 ZINC000521068232 539512508 /nfs/dbraw/zinc/51/25/08/539512508.db2.gz QSAMPTMGTVDFOB-UHFFFAOYSA-N 0 3 358.345 1.108 20 5 FDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000521363454 539516577 /nfs/dbraw/zinc/51/65/77/539516577.db2.gz PBCCGMGUKYQLBL-MRXNPFEDSA-N 0 3 360.414 1.410 20 5 FDBDHN O=[N+]([O-])c1cccc(OCCN(CCO)CCOCC(F)(F)F)c1 ZINC000264857692 179222650 /nfs/dbraw/zinc/22/26/50/179222650.db2.gz MWCPSVQMZOKZKL-UHFFFAOYSA-N 0 3 352.309 1.847 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264922990 179240827 /nfs/dbraw/zinc/24/08/27/179240827.db2.gz QFLFYKKUFRTZTQ-CYBMUJFWSA-N 0 3 352.410 1.737 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000268473082 180092061 /nfs/dbraw/zinc/09/20/61/180092061.db2.gz ITTYNUMQHWGSEB-UHFFFAOYSA-N 0 3 372.267 1.826 20 5 FDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269584446 180335213 /nfs/dbraw/zinc/33/52/13/180335213.db2.gz BXUVRPUVEVJBPC-ZDUSSCGKSA-N 0 3 350.419 1.383 20 5 FDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](N2CCCCC2)C1 ZINC000272920256 180828273 /nfs/dbraw/zinc/82/82/73/180828273.db2.gz QDFXHEXVWFONKH-ZDUSSCGKSA-N 0 3 354.432 1.307 20 5 FDBDHN CC(C)N1CCC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274463670 181100023 /nfs/dbraw/zinc/10/00/23/181100023.db2.gz KIQBVGRZIXERRX-ZFWWWQNUSA-N 0 3 362.430 1.702 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000536278256 540574560 /nfs/dbraw/zinc/57/45/60/540574560.db2.gz IBMMADNHNOTPAF-FQEVSTJZSA-N 0 3 369.421 1.891 20 5 FDBDHN CN1CC[NH+]([C@@H](CNC(=O)c2[n-]ncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000536522956 540607299 /nfs/dbraw/zinc/60/72/99/540607299.db2.gz RHKIPQUOTLRJBN-NSHDSACASA-N 0 3 364.431 1.098 20 5 FDBDHN CN1CC[NH+]([C@H](CNC(=O)c2[n-]ncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000536522951 540607938 /nfs/dbraw/zinc/60/79/38/540607938.db2.gz RHKIPQUOTLRJBN-LLVKDONJSA-N 0 3 364.431 1.098 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000540053092 541023161 /nfs/dbraw/zinc/02/31/61/541023161.db2.gz PVJIQNWHAABPRD-QWHCGFSZSA-N 0 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184013678 /nfs/dbraw/zinc/01/36/78/184013678.db2.gz YZSNAQKSVMQUJB-UHFFFAOYSA-N 0 3 373.413 1.826 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)ccn1 ZINC000547195971 542284407 /nfs/dbraw/zinc/28/44/07/542284407.db2.gz QKPRHWAJLYNYBP-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295521702 184080015 /nfs/dbraw/zinc/08/00/15/184080015.db2.gz QQKYOGFQNIBFEZ-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN CCCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000297845928 184341306 /nfs/dbraw/zinc/34/13/06/184341306.db2.gz KWAAOKLONVZFHN-UHFFFAOYSA-N 0 3 352.391 1.519 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000548082593 542550207 /nfs/dbraw/zinc/55/02/07/542550207.db2.gz VOMIBWINMZTJDD-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161186780 258263591 /nfs/dbraw/zinc/26/35/91/258263591.db2.gz LSTDYPVTGVDLGZ-QGPMSJSTSA-N 0 3 350.415 1.962 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2nn(C)c(=O)cc2C1 ZINC000172793301 258285271 /nfs/dbraw/zinc/28/52/71/258285271.db2.gz QTFITWWPTPJPFY-UHFFFAOYSA-N 0 3 371.397 1.384 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1COc2ccccc2O1 ZINC000551812417 543344686 /nfs/dbraw/zinc/34/46/86/543344686.db2.gz CYQQGOOVNLUNKL-KGLIPLIRSA-N 0 3 360.366 1.764 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552026589 543407553 /nfs/dbraw/zinc/40/75/53/543407553.db2.gz VVJZKDWBAIOAGO-SJCJKPOMSA-N 0 3 365.455 1.648 20 5 FDBDHN CSc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552077419 543414855 /nfs/dbraw/zinc/41/48/55/543414855.db2.gz IXUQYULSQCSJAZ-SNVBAGLBSA-N 0 3 354.432 1.113 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552209510 543438023 /nfs/dbraw/zinc/43/80/23/543438023.db2.gz HFEXJUOCPAIQQK-SFHVURJKSA-N 0 3 360.414 1.356 20 5 FDBDHN COc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000074137880 172074043 /nfs/dbraw/zinc/07/40/43/172074043.db2.gz GWPNUEVOIDQEQG-ZDUSSCGKSA-N 0 3 350.419 1.217 20 5 FDBDHN CNS(=O)(=O)c1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538968 172267296 /nfs/dbraw/zinc/26/72/96/172267296.db2.gz PZOUEEZIHYTACK-NSHDSACASA-N 0 3 353.404 1.050 20 5 FDBDHN COc1cc(CN2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093817662 172321203 /nfs/dbraw/zinc/32/12/03/172321203.db2.gz NRPLYTHPXYCRPE-CQSZACIVSA-N 0 3 365.430 1.766 20 5 FDBDHN CC(C)C(=O)NCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129646520 173145756 /nfs/dbraw/zinc/14/57/56/173145756.db2.gz BYQQUQMBIYGUJT-UHFFFAOYSA-N 0 3 354.382 1.767 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134273509 173322248 /nfs/dbraw/zinc/32/22/48/173322248.db2.gz WKBLGAWGINHWSY-UHFFFAOYSA-N 0 3 364.377 1.114 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134923237 173335254 /nfs/dbraw/zinc/33/52/54/173335254.db2.gz ZLXWIZGQUXQQPJ-XJKSGUPXSA-N 0 3 357.414 1.879 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000151373311 173399115 /nfs/dbraw/zinc/39/91/15/173399115.db2.gz SMVHIOMBJAFHKE-UHFFFAOYSA-N 0 3 361.402 1.987 20 5 FDBDHN O=C(CCN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178821216 258336505 /nfs/dbraw/zinc/33/65/05/258336505.db2.gz QLLPLKMIBXZUFA-HNNXBMFYSA-N 0 3 362.430 1.578 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(S(C)(=O)=O)CC1 ZINC000279605697 258568295 /nfs/dbraw/zinc/56/82/95/258568295.db2.gz DZLFCOWMFRFSQF-LLVKDONJSA-N 0 3 355.416 1.479 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000554028337 543735518 /nfs/dbraw/zinc/73/55/18/543735518.db2.gz GALWYDZTCXGRQJ-ZFWWWQNUSA-N 0 3 374.441 1.685 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000554512866 543814455 /nfs/dbraw/zinc/81/44/55/543814455.db2.gz WMRKCHTZGMCXHD-LBPRGKRZSA-N 0 3 364.402 1.079 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000554845687 543880687 /nfs/dbraw/zinc/88/06/87/543880687.db2.gz DVTKQPKWXIAFQM-IIDMSEBBSA-N 0 3 351.447 1.539 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000556083823 544091053 /nfs/dbraw/zinc/09/10/53/544091053.db2.gz OYUJULZDJBGCPE-AWEZNQCLSA-N 0 3 374.441 1.328 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CCO)C2CCOCC2)cc1 ZINC000570613927 549344743 /nfs/dbraw/zinc/34/47/43/549344743.db2.gz HFFIAUKXQHXTJC-INIZCTEOSA-N 0 3 372.443 1.136 20 5 FDBDHN CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C2CC2)C1 ZINC000558094943 544383945 /nfs/dbraw/zinc/38/39/45/544383945.db2.gz RDSDRTQIEKLPKR-CYBMUJFWSA-N 0 3 360.370 1.198 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000558732138 544519758 /nfs/dbraw/zinc/51/97/58/544519758.db2.gz QDYLXEKHAJXRAR-ZBFHGGJFSA-N 0 3 373.413 1.383 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000299517728 259003291 /nfs/dbraw/zinc/00/32/91/259003291.db2.gz CQDJJEOZCHQLEE-UKRRQHHQSA-N 0 3 362.430 1.949 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1(C(N)=O)CCCC1 ZINC000299587945 259008614 /nfs/dbraw/zinc/00/86/14/259008614.db2.gz HZSLLEAURZJXJX-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301509186 259028692 /nfs/dbraw/zinc/02/86/92/259028692.db2.gz COHDVRCMHCBQLW-KGLIPLIRSA-N 0 3 350.375 1.929 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455485 259145693 /nfs/dbraw/zinc/14/56/93/259145693.db2.gz OASGJVXUBPHPRL-FRRDWIJNSA-N 0 3 373.479 1.456 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455485 259145694 /nfs/dbraw/zinc/14/56/94/259145694.db2.gz OASGJVXUBPHPRL-FRRDWIJNSA-N 0 3 373.479 1.456 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000332272932 259254337 /nfs/dbraw/zinc/25/43/37/259254337.db2.gz PWXRQVOHOCDUGX-OLZOCXBDSA-N 0 3 355.416 1.509 20 5 FDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COCC(F)(F)F)CC2)n1 ZINC000367931575 260111642 /nfs/dbraw/zinc/11/16/42/260111642.db2.gz KHWVUSLCZACGDA-NSHDSACASA-N 0 3 352.313 1.368 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368595924 260207131 /nfs/dbraw/zinc/20/71/31/260207131.db2.gz UFPXYDYUFDXHDH-WBMJQRKESA-N 0 3 356.386 1.342 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000373586142 261022354 /nfs/dbraw/zinc/02/23/54/261022354.db2.gz QKRWEPLDLBCEMO-FUHWJXTLSA-N 0 3 358.398 1.674 20 5 FDBDHN COc1cccc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000373796437 261041414 /nfs/dbraw/zinc/04/14/14/261041414.db2.gz UURYHXIUBGZJEM-CYBMUJFWSA-N 0 3 369.443 1.349 20 5 FDBDHN Cc1c(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000374324244 261110269 /nfs/dbraw/zinc/11/02/69/261110269.db2.gz AYEITXXFAXYKSU-YJBOKZPZSA-N 0 3 374.485 1.930 20 5 FDBDHN O=C(CN1CCC[C@H](c2nc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374544034 261151175 /nfs/dbraw/zinc/15/11/75/261151175.db2.gz CNMGAUWGUBBFFB-ZDUSSCGKSA-N 0 3 356.386 1.482 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000374895484 261221158 /nfs/dbraw/zinc/22/11/58/261221158.db2.gz JSWHWPZARRMVCC-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000374911900 261224046 /nfs/dbraw/zinc/22/40/46/261224046.db2.gz JYHRTETUHKFKIW-CQSZACIVSA-N 0 3 371.434 1.475 20 5 FDBDHN CN1CCN(CC2(C)CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000374933472 261229573 /nfs/dbraw/zinc/22/95/73/261229573.db2.gz XQMRRDDPDFAYBD-UHFFFAOYSA-N 0 3 373.461 1.491 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000375322048 261313134 /nfs/dbraw/zinc/31/31/34/261313134.db2.gz YRVYXLJAVCAIOW-CYBMUJFWSA-N 0 3 360.374 1.471 20 5 FDBDHN C[C@@H](CO)N1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000375499868 261354899 /nfs/dbraw/zinc/35/48/99/261354899.db2.gz JJSZCQPMSBAKBG-ZDUSSCGKSA-N 0 3 351.403 1.350 20 5 FDBDHN NC(=O)[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375514770 261359512 /nfs/dbraw/zinc/35/95/12/261359512.db2.gz ZXJGVTXLZBPMLN-CHWSQXEVSA-N 0 3 361.320 1.959 20 5 FDBDHN CCN1CCN(CCCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000042593675 519697710 /nfs/dbraw/zinc/69/77/10/519697710.db2.gz ZWXJZZWBSGEGSN-UHFFFAOYSA-N 0 3 364.446 1.508 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000044532867 521965974 /nfs/dbraw/zinc/96/59/74/521965974.db2.gz ZQFHRXAIYBDKPU-LBPRGKRZSA-N 0 3 374.397 1.181 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000057066308 521994277 /nfs/dbraw/zinc/99/42/77/521994277.db2.gz DYQNFOPDHMXIJJ-UHFFFAOYSA-N 0 3 361.446 1.398 20 5 FDBDHN CCN(CC)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000060659174 522409201 /nfs/dbraw/zinc/40/92/01/522409201.db2.gz LVRCDMCWRILFAD-UHFFFAOYSA-N 0 3 373.413 1.521 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC3CCCCC3)CC2)c1 ZINC000075676761 522955530 /nfs/dbraw/zinc/95/55/30/522955530.db2.gz MVOMCESQBQODJF-OAHLLOKOSA-N 0 3 352.435 1.966 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676523 522956161 /nfs/dbraw/zinc/95/61/61/522956161.db2.gz QEAWLPASDWLMSM-LZWOXQAQSA-N 0 3 367.450 1.169 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(NC(C)=O)CC1 ZINC000050993487 522959547 /nfs/dbraw/zinc/95/95/47/522959547.db2.gz VHFKXXSFVGJPMA-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000066948615 523283070 /nfs/dbraw/zinc/28/30/70/523283070.db2.gz KNDLQDDTQBWSSL-CZUORRHYSA-N 0 3 362.430 1.656 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000110998254 524183661 /nfs/dbraw/zinc/18/36/61/524183661.db2.gz PMTIYKIXYMCTNY-CQSZACIVSA-N 0 3 358.402 1.780 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000138538734 524258618 /nfs/dbraw/zinc/25/86/18/524258618.db2.gz OIXWHYBIAPYNEK-UHFFFAOYSA-N 0 3 367.402 1.453 20 5 FDBDHN O=C(CCN1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000139022943 524271531 /nfs/dbraw/zinc/27/15/31/524271531.db2.gz UIIXLMRHUKYCEC-ZDUSSCGKSA-N 0 3 361.402 1.413 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000173243862 524351942 /nfs/dbraw/zinc/35/19/42/524351942.db2.gz JBBVVEFDZVQFGS-YPMHNXCESA-N 0 3 357.432 1.564 20 5 FDBDHN COCCN1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000173644113 524427510 /nfs/dbraw/zinc/42/75/10/524427510.db2.gz UAOLBJRDGDNQEW-CQSZACIVSA-N 0 3 364.446 1.931 20 5 FDBDHN CCCCN(C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112311537 524458634 /nfs/dbraw/zinc/45/86/34/524458634.db2.gz FGHSDYAPUSXREA-ZDUSSCGKSA-N 0 3 350.419 1.561 20 5 FDBDHN Cc1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000150919316 524505814 /nfs/dbraw/zinc/50/58/14/524505814.db2.gz IPJNKJBUFVGUIH-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN O=c1[nH]cnc2cc(NC3CCN([C@H]4CCOC4)CC3)c([N+](=O)[O-])cc21 ZINC000089603096 524512931 /nfs/dbraw/zinc/51/29/31/524512931.db2.gz RBBICIMVOPLNDP-LBPRGKRZSA-N 0 3 359.386 1.497 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917306 524593304 /nfs/dbraw/zinc/59/33/04/524593304.db2.gz QHPRSVRZXNAOBO-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112921726 524596516 /nfs/dbraw/zinc/59/65/16/524596516.db2.gz OTFHXGLLOMTVPM-ZDUSSCGKSA-N 0 3 352.410 1.737 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCS1(=O)=O ZINC000090466383 524596603 /nfs/dbraw/zinc/59/66/03/524596603.db2.gz KFYAKFNRWLLXQS-SMDDNHRTSA-N 0 3 355.416 1.479 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112921847 524598794 /nfs/dbraw/zinc/59/87/94/524598794.db2.gz ZMPMXEYNJIJQOX-YXMGTMDOSA-N 0 3 360.458 1.998 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151635343 524637722 /nfs/dbraw/zinc/63/77/22/524637722.db2.gz ITRLQGZMRDFILX-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN CN(CCOc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658198 524678015 /nfs/dbraw/zinc/67/80/15/524678015.db2.gz CPCRGLPMWATMRK-CQSZACIVSA-N 0 3 354.794 1.816 20 5 FDBDHN COc1ccc(OCCN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174663248 524678136 /nfs/dbraw/zinc/67/81/36/524678136.db2.gz LLTHWSNWFJNKKY-CQSZACIVSA-N 0 3 350.375 1.172 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000174706426 524698105 /nfs/dbraw/zinc/69/81/05/524698105.db2.gz YDUZIOLQLNVDAU-JKSUJKDBSA-N 0 3 374.397 1.761 20 5 FDBDHN Cn1cc(CN[C@H]2CC(=O)N(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174931713 524803442 /nfs/dbraw/zinc/80/34/42/524803442.db2.gz FKJUYZJBTANIDN-AWEZNQCLSA-N 0 3 355.398 1.848 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643957 524845223 /nfs/dbraw/zinc/84/52/23/524845223.db2.gz GLMXXLFCGLRTPI-INIZCTEOSA-N 0 3 357.414 1.962 20 5 FDBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000160421342 524885568 /nfs/dbraw/zinc/88/55/68/524885568.db2.gz YYXQZUVUSKLRPC-MRXNPFEDSA-N 0 3 372.425 1.956 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175370376 524952593 /nfs/dbraw/zinc/95/25/93/524952593.db2.gz UWWUAHLKWGEWCA-OAHLLOKOSA-N 0 3 361.446 1.911 20 5 FDBDHN CCOCCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176208597 525066039 /nfs/dbraw/zinc/06/60/39/525066039.db2.gz PWTNNDCZLQBPMT-UHFFFAOYSA-N 0 3 353.423 1.046 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000126388110 525306028 /nfs/dbraw/zinc/30/60/28/525306028.db2.gz MUTGAFSJPGXKPS-CYBMUJFWSA-N 0 3 351.407 1.045 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000180873718 525768374 /nfs/dbraw/zinc/76/83/74/525768374.db2.gz XFBKYECPQZSKPH-HNNXBMFYSA-N 0 3 373.413 1.215 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1C ZINC000119616285 525806301 /nfs/dbraw/zinc/80/63/01/525806301.db2.gz MXUFQPKBEROAAC-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN COCCCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000171202737 525895577 /nfs/dbraw/zinc/89/55/77/525895577.db2.gz OBDHCQJJGFLVMK-UHFFFAOYSA-N 0 3 350.419 1.895 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108447175 525969437 /nfs/dbraw/zinc/96/94/37/525969437.db2.gz GZNVBZJHYUXETF-NSHDSACASA-N 0 3 368.821 1.579 20 5 FDBDHN CCO[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000181971346 526002357 /nfs/dbraw/zinc/00/23/57/526002357.db2.gz WWMMGLSJONWAQO-GJZGRUSLSA-N 0 3 371.459 1.666 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183022039 535905592 /nfs/dbraw/zinc/90/55/92/535905592.db2.gz XAPMGADZVZYMAD-QGZVFWFLSA-N 0 3 360.414 1.888 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183502314 535992820 /nfs/dbraw/zinc/99/28/20/535992820.db2.gz AMQBWUPQKOQAQZ-OAHLLOKOSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186920246 536248612 /nfs/dbraw/zinc/24/86/12/536248612.db2.gz RHBJNMMDTDYUPH-LLVKDONJSA-N 0 3 361.402 1.388 20 5 FDBDHN COc1ccc(NC(=O)CN(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186941920 536249765 /nfs/dbraw/zinc/24/97/65/536249765.db2.gz CVTOZAAOKMZXNU-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1cc(OCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000246578665 536984694 /nfs/dbraw/zinc/98/46/94/536984694.db2.gz CJNJYJUQZFXDGB-DZGCQCFKSA-N 0 3 363.414 1.925 20 5 FDBDHN CN(C)C1(CN(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000189132935 537003015 /nfs/dbraw/zinc/00/30/15/537003015.db2.gz JIUGTZJKVKSDEX-UHFFFAOYSA-N 0 3 355.460 1.883 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000189677689 537080955 /nfs/dbraw/zinc/08/09/55/537080955.db2.gz CJZZPLHVMOSRJL-HNNXBMFYSA-N 0 3 351.403 1.969 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000247105178 537082188 /nfs/dbraw/zinc/08/21/88/537082188.db2.gz VFGGJMFIMQYDQE-HOTGVXAUSA-N 0 3 374.441 1.544 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000247321354 537107750 /nfs/dbraw/zinc/10/77/50/537107750.db2.gz GKIPSVGOHNDFOT-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000247507003 537126667 /nfs/dbraw/zinc/12/66/67/537126667.db2.gz MFJWKQVHAMHZAX-IRXDYDNUSA-N 0 3 365.430 1.131 20 5 FDBDHN COc1ccccc1C[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247547709 537131952 /nfs/dbraw/zinc/13/19/52/537131952.db2.gz PQCZOBQRJSORPT-DOTOQJQBSA-N 0 3 360.414 1.868 20 5 FDBDHN CCN1CC[C@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000247557814 537133933 /nfs/dbraw/zinc/13/39/33/537133933.db2.gz ZHPSLUDNTCXIPG-GUYCJALGSA-N 0 3 372.429 1.978 20 5 FDBDHN COC(=O)c1cnc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000190167146 537148850 /nfs/dbraw/zinc/14/88/50/537148850.db2.gz JKUOMXWJILBYCY-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265613717 537162050 /nfs/dbraw/zinc/16/20/50/537162050.db2.gz OOFHBTGRCDPJDR-CYBMUJFWSA-N 0 3 352.391 1.123 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249281777 537231509 /nfs/dbraw/zinc/23/15/09/537231509.db2.gz MVMZHIRZHOHABH-KBPBESRZSA-N 0 3 353.419 1.369 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270813189 537381173 /nfs/dbraw/zinc/38/11/73/537381173.db2.gz HIKGPOMOAINGRD-CABCVRRESA-N 0 3 358.398 1.536 20 5 FDBDHN COc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc([N+](=O)[O-])c1C ZINC000365082084 537427902 /nfs/dbraw/zinc/42/79/02/537427902.db2.gz CQVXASGBRSULOW-UHFFFAOYSA-N 0 3 365.430 1.831 20 5 FDBDHN COCCN(C)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000313928573 537608630 /nfs/dbraw/zinc/60/86/30/537608630.db2.gz CHJKIPOXUQQVKC-NSHDSACASA-N 0 3 363.208 1.675 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293913972 537623513 /nfs/dbraw/zinc/62/35/13/537623513.db2.gz IARWXKWWACCTPQ-IFXJQAMLSA-N 0 3 374.441 1.657 20 5 FDBDHN COc1ccc(OCCN2CC[C@@H](N3CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000289923687 537627678 /nfs/dbraw/zinc/62/76/78/537627678.db2.gz ULQYGJMGAOAMIC-GDBMZVCRSA-N 0 3 365.430 1.777 20 5 FDBDHN CC(C)N1CCC[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000291660625 537653967 /nfs/dbraw/zinc/65/39/67/537653967.db2.gz KTACUUFZJATJNX-GFCCVEGCSA-N 0 3 374.397 1.180 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285342902 537689237 /nfs/dbraw/zinc/68/92/37/537689237.db2.gz YZQWSABYWQERER-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000285404507 537703482 /nfs/dbraw/zinc/70/34/82/537703482.db2.gz UHEICSNALMELHG-CZUORRHYSA-N 0 3 353.444 1.983 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)C1 ZINC000292336454 537728063 /nfs/dbraw/zinc/72/80/63/537728063.db2.gz UPGKLKITVNDZCT-QGZVFWFLSA-N 0 3 356.386 1.343 20 5 FDBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285591866 537734807 /nfs/dbraw/zinc/73/48/07/537734807.db2.gz BNEBKMJRGRWTSO-WDEREUQCSA-N 0 3 351.359 1.403 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414495480 537823844 /nfs/dbraw/zinc/82/38/44/537823844.db2.gz HFPZOHLNIWUTIY-CQSZACIVSA-N 0 3 357.414 1.905 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414569572 537837808 /nfs/dbraw/zinc/83/78/08/537837808.db2.gz IOFDMYRCASISEF-ZIAGYGMSSA-N 0 3 352.387 1.787 20 5 FDBDHN NC(=O)c1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000411986559 537923533 /nfs/dbraw/zinc/92/35/33/537923533.db2.gz UAGPHRIPOOYRIP-JKSUJKDBSA-N 0 3 368.393 1.395 20 5 FDBDHN COCCNCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418504989 538093911 /nfs/dbraw/zinc/09/39/11/538093911.db2.gz CXJBRGWTHGIWLE-OAHLLOKOSA-N 0 3 350.419 1.720 20 5 FDBDHN N[C@H](CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000419940695 538156881 /nfs/dbraw/zinc/15/68/81/538156881.db2.gz ZZNLXKFDYWTWNK-QGZVFWFLSA-N 0 3 368.393 1.296 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000422105559 538159379 /nfs/dbraw/zinc/15/93/79/538159379.db2.gz PZKMBYMUGJUMAM-QGZVFWFLSA-N 0 3 374.441 1.638 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)CCN(C)C ZINC000420017961 538190176 /nfs/dbraw/zinc/19/01/76/538190176.db2.gz PFXLXJRFMWJYQF-CRAIPNDOSA-N 0 3 351.447 1.982 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000420023445 538191164 /nfs/dbraw/zinc/19/11/64/538191164.db2.gz XPEQOPZTHREMNF-HNNXBMFYSA-N 0 3 361.345 1.629 20 5 FDBDHN Cn1ccnc1[C@@H]1CNCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420323504 538265639 /nfs/dbraw/zinc/26/56/39/538265639.db2.gz YHDJKXFQUOBCPP-HNNXBMFYSA-N 0 3 358.402 1.303 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433745295 538268928 /nfs/dbraw/zinc/26/89/28/538268928.db2.gz PJCGTQWIXNPYDX-CYBMUJFWSA-N 0 3 366.466 1.445 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424288157 538271933 /nfs/dbraw/zinc/27/19/33/538271933.db2.gz KJHJRLCFORJZJP-LSDHHAIUSA-N 0 3 358.402 1.002 20 5 FDBDHN NC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccccc21 ZINC000451714782 538310484 /nfs/dbraw/zinc/31/04/84/538310484.db2.gz PSRJYNFAOCKHSS-OAHLLOKOSA-N 0 3 359.386 1.493 20 5 FDBDHN CC1(C)CCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000457052276 538469988 /nfs/dbraw/zinc/46/99/88/538469988.db2.gz JBPMLKQVMYXSIQ-UHFFFAOYSA-N 0 3 358.402 1.780 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000461456691 538517640 /nfs/dbraw/zinc/51/76/40/538517640.db2.gz NTNDCLVENKRPDE-HUUCEWRRSA-N 0 3 355.398 1.912 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000457963185 538533502 /nfs/dbraw/zinc/53/35/02/538533502.db2.gz RDLBWJVXIRDZFQ-INIZCTEOSA-N 0 3 350.419 1.283 20 5 FDBDHN CNC(=O)CCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000494979868 538617145 /nfs/dbraw/zinc/61/71/45/538617145.db2.gz XTMHLARWCZFKIN-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN O=c1ccccn1C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000503266975 538794454 /nfs/dbraw/zinc/79/44/54/538794454.db2.gz VGPKBBKSCPIJJM-INIZCTEOSA-N 0 3 353.382 1.984 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000498325890 538824582 /nfs/dbraw/zinc/82/45/82/538824582.db2.gz MYCSBVQYRFQSAD-UHFFFAOYSA-N 0 3 350.419 1.576 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCO1 ZINC000470104082 538828761 /nfs/dbraw/zinc/82/87/61/538828761.db2.gz IUKHADSEMVMUJG-ZDUSSCGKSA-N 0 3 353.423 1.144 20 5 FDBDHN COC(=O)COc1ccc(CNCC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000474343629 538834337 /nfs/dbraw/zinc/83/43/37/538834337.db2.gz DAGOMVXNDWMEBU-UHFFFAOYSA-N 0 3 365.386 1.282 20 5 FDBDHN CN1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000562400940 546124542 /nfs/dbraw/zinc/12/45/42/546124542.db2.gz SHGADPRQHMTFOT-MRXNPFEDSA-N 0 3 372.429 1.427 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000564017700 546775746 /nfs/dbraw/zinc/77/57/46/546775746.db2.gz QHOLMGSTENOGFV-SWLSCSKDSA-N 0 3 362.430 1.461 20 5 FDBDHN Cc1cccc(C[C@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000564975937 547137263 /nfs/dbraw/zinc/13/72/63/547137263.db2.gz OJDFHLXJFFSQTR-IAGOWNOFSA-N 0 3 360.410 1.836 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000565362999 547320934 /nfs/dbraw/zinc/32/09/34/547320934.db2.gz XNIZUYRKAIFJNI-ZDUSSCGKSA-N 0 3 360.374 1.131 20 5 FDBDHN CCN1CCCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566063564 547585485 /nfs/dbraw/zinc/58/54/85/547585485.db2.gz BKTAPKSTDAAVOE-OAHLLOKOSA-N 0 3 355.460 1.833 20 5 FDBDHN CN(C)Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000566118234 547612919 /nfs/dbraw/zinc/61/29/19/547612919.db2.gz YMGJQLMVDDPWBO-HNNXBMFYSA-N 0 3 351.382 1.143 20 5 FDBDHN CO[C@H](c1ccccc1F)[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567686721 548213615 /nfs/dbraw/zinc/21/36/15/548213615.db2.gz XWHGNQIMQBOYSV-KFNAQCHYSA-N 0 3 352.366 1.657 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1c2ccccc2C[C@H]1C ZINC000569095743 548794331 /nfs/dbraw/zinc/79/43/31/548794331.db2.gz JEANMICCUALDHT-WWGRRREGSA-N 0 3 373.413 1.108 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CCN2C1=O ZINC000574652252 550348681 /nfs/dbraw/zinc/34/86/81/550348681.db2.gz VSEBLGHAGGHTAW-ZIAGYGMSSA-N 0 3 353.382 1.405 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CO)CC3(CCC3)C2)cc1 ZINC000574691583 550355354 /nfs/dbraw/zinc/35/53/54/550355354.db2.gz IIVQMGPHGSNTEA-UHFFFAOYSA-N 0 3 368.455 1.901 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Cn3ccnc3)c2)c1 ZINC000575174340 550439035 /nfs/dbraw/zinc/43/90/35/550439035.db2.gz BEILGWIZTPVXDY-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN Cc1ccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000576245056 550527700 /nfs/dbraw/zinc/52/77/00/550527700.db2.gz LKZWAHDWMFKACK-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN CSc1cccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000576291216 550532662 /nfs/dbraw/zinc/53/26/62/550532662.db2.gz DIEWKDZBLGAOLQ-SNVBAGLBSA-N 0 3 354.432 1.113 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000577783814 550694774 /nfs/dbraw/zinc/69/47/74/550694774.db2.gz DGVWZBNQMCOIGJ-RYUDHWBXSA-N 0 3 359.835 1.474 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000581169999 551059421 /nfs/dbraw/zinc/05/94/21/551059421.db2.gz KKKDOYTTYULWBN-LBPRGKRZSA-N 0 3 368.777 1.367 20 5 FDBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)OC(C)(C)C ZINC000581486542 551094522 /nfs/dbraw/zinc/09/45/22/551094522.db2.gz RAOCXTGLKBTIBJ-YUELXQCFSA-N 0 3 368.434 1.452 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCN(C3CCC3)CC2)cc1 ZINC000582176796 551186409 /nfs/dbraw/zinc/18/64/09/551186409.db2.gz MGEBKKUMMFJMSV-UHFFFAOYSA-N 0 3 367.471 1.975 20 5 FDBDHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583308413 551333039 /nfs/dbraw/zinc/33/30/39/551333039.db2.gz ZXXGZOBNGOXHRV-OAHLLOKOSA-N 0 3 374.441 1.422 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000583579116 551372214 /nfs/dbraw/zinc/37/22/14/551372214.db2.gz XGQYEMCIAFWWFR-SWLSCSKDSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@@H]1C(F)F ZINC000584173211 551458787 /nfs/dbraw/zinc/45/87/87/551458787.db2.gz ZBXHHUFXENKFFE-GFCCVEGCSA-N 0 3 358.345 1.471 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210286 551764862 /nfs/dbraw/zinc/76/48/62/551764862.db2.gz MYQHDXYSSOXGCV-ROUUACIJSA-N 0 3 363.414 1.751 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590281626 551769724 /nfs/dbraw/zinc/76/97/24/551769724.db2.gz PTMBOMGJEKLKFY-RNCFNFMXSA-N 0 3 352.778 1.349 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000590400401 551780283 /nfs/dbraw/zinc/78/02/83/551780283.db2.gz URCDIROIJZTJGE-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c(C)cc1[N+](=O)[O-] ZINC000591328799 551862400 /nfs/dbraw/zinc/86/24/00/551862400.db2.gz JXYDRBXGXFFAIA-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN Cc1csc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000591724910 551903610 /nfs/dbraw/zinc/90/36/10/551903610.db2.gz QNQUOYQRAUZKSA-UHFFFAOYSA-N 0 3 355.441 1.966 20 5 FDBDHN CN(C)[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000591747843 551905634 /nfs/dbraw/zinc/90/56/34/551905634.db2.gz NOGDTPVRVJRWAS-HNNXBMFYSA-N 0 3 373.500 1.395 20 5 FDBDHN Cc1nc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000591757356 551906463 /nfs/dbraw/zinc/90/64/63/551906463.db2.gz QHFQEYLSMGYPMR-UHFFFAOYSA-N 0 3 353.400 1.806 20 5 FDBDHN NC(=O)Cc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591767659 551907269 /nfs/dbraw/zinc/90/72/69/551907269.db2.gz IJUKQXAWCZGNBM-HNNXBMFYSA-N 0 3 359.382 1.152 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000591986897 551923670 /nfs/dbraw/zinc/92/36/70/551923670.db2.gz YDGYFRZCXYFCDT-LBPRGKRZSA-N 0 3 364.402 1.246 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592196230 551956830 /nfs/dbraw/zinc/95/68/30/551956830.db2.gz MAGBOYMPCIIGSE-GXTWGEPZSA-N 0 3 365.386 1.088 20 5 FDBDHN CN(C)CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593051582 552056257 /nfs/dbraw/zinc/05/62/57/552056257.db2.gz LIKXBKQRHMEVRV-UHFFFAOYSA-N 0 3 350.419 1.070 20 5 FDBDHN C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593313990 552087841 /nfs/dbraw/zinc/08/78/41/552087841.db2.gz BLBAAIOPHQJEQG-ZDUSSCGKSA-N 0 3 363.418 1.071 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593465815 552112855 /nfs/dbraw/zinc/11/28/55/552112855.db2.gz UGCACXKKDOLHJJ-SFHVURJKSA-N 0 3 369.425 1.886 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027048 552240761 /nfs/dbraw/zinc/24/07/61/552240761.db2.gz KONVTTLNQYNGPA-KGYLQXTDSA-N 0 3 368.821 1.326 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000594298204 552281383 /nfs/dbraw/zinc/28/13/83/552281383.db2.gz LNIWVYKQAGGSNT-ZDUSSCGKSA-N 0 3 373.417 1.075 20 5 FDBDHN NS(=O)(=O)c1c(N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594601957 552339284 /nfs/dbraw/zinc/33/92/84/552339284.db2.gz PWZZZRCKCLYASV-YPMHNXCESA-N 0 3 354.432 1.671 20 5 FDBDHN NS(=O)(=O)c1cc(N[C@@H]2CCCN3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594599283 552339622 /nfs/dbraw/zinc/33/96/22/552339622.db2.gz ISNSVVIEEPKPHU-CABCVRRESA-N 0 3 354.432 1.671 20 5 FDBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594783031 552383058 /nfs/dbraw/zinc/38/30/58/552383058.db2.gz ZUNNLTSNKQEBNL-LLVKDONJSA-N 0 3 350.400 1.373 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000595010296 552436738 /nfs/dbraw/zinc/43/67/38/552436738.db2.gz GLKRMLYJNMXSDN-ZDUSSCGKSA-N 0 3 350.419 1.418 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595033753 552440518 /nfs/dbraw/zinc/44/05/18/552440518.db2.gz CLQXDAGTDKXQQZ-NWDGAFQWSA-N 0 3 357.432 1.536 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595614844 552592982 /nfs/dbraw/zinc/59/29/82/552592982.db2.gz JQBRJVJKAQOMNI-MRXNPFEDSA-N 0 3 363.414 1.515 20 5 FDBDHN CO[C@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595660765 552598545 /nfs/dbraw/zinc/59/85/45/552598545.db2.gz WEMVPTYHAVYDNS-QGZVFWFLSA-N 0 3 351.403 1.705 20 5 FDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1COCCO1 ZINC000595738742 552609074 /nfs/dbraw/zinc/60/90/74/552609074.db2.gz XYHOKLOFOUTJFX-CYBMUJFWSA-N 0 3 351.359 1.240 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595986143 552641226 /nfs/dbraw/zinc/64/12/26/552641226.db2.gz PETNBJODSCGEFM-GFCCVEGCSA-N 0 3 373.417 1.075 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)cc1C ZINC000596050996 552650134 /nfs/dbraw/zinc/65/01/34/552650134.db2.gz KHABQLVDUVNFPU-NSHDSACASA-N 0 3 355.338 1.722 20 5 FDBDHN NC(=O)c1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000596189247 552663206 /nfs/dbraw/zinc/66/32/06/552663206.db2.gz HLOOQLQKMATGGY-MRXNPFEDSA-N 0 3 370.409 1.872 20 5 FDBDHN CN(C)C[C@H](CO)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596240836 552667855 /nfs/dbraw/zinc/66/78/55/552667855.db2.gz ABTLYHBXNOCMML-SSDOTTSWSA-N 0 3 358.267 1.978 20 5 FDBDHN CCN1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596270322 552669761 /nfs/dbraw/zinc/66/97/61/552669761.db2.gz ZXOWUIZYXJERBJ-GFCCVEGCSA-N 0 3 356.448 1.423 20 5 FDBDHN O=c1[nH]cnc2cc(N3CCC(N4CCCOCC4)CC3)c([N+](=O)[O-])cc21 ZINC000596268297 552669774 /nfs/dbraw/zinc/66/97/74/552669774.db2.gz JFLKZHDMVJBGLO-UHFFFAOYSA-N 0 3 373.413 1.935 20 5 FDBDHN Nc1c(NC(=O)NC[C@H]2CCCCN2CCO)cc(Cl)cc1[N+](=O)[O-] ZINC000597092540 552745816 /nfs/dbraw/zinc/74/58/16/552745816.db2.gz NIPYANJZERJSMO-LLVKDONJSA-N 0 3 371.825 1.799 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000597403230 552784748 /nfs/dbraw/zinc/78/47/48/552784748.db2.gz YMHPMBFSYRYINV-HNNXBMFYSA-N 0 3 374.441 1.686 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597574254 552806778 /nfs/dbraw/zinc/80/67/78/552806778.db2.gz OIVHOPTUZVIQLD-GOSISDBHSA-N 0 3 367.421 1.927 20 5 FDBDHN CSc1cccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000597574857 552806949 /nfs/dbraw/zinc/80/69/49/552806949.db2.gz SIOWROUNJPKFPJ-MRXNPFEDSA-N 0 3 353.444 1.845 20 5 FDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(CN2CCOCC2)C1 ZINC000597682770 552821592 /nfs/dbraw/zinc/82/15/92/552821592.db2.gz SHMSDLITWOCNSV-UHFFFAOYSA-N 0 3 371.397 1.389 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597922918 552846116 /nfs/dbraw/zinc/84/61/16/552846116.db2.gz GWTSKQQYGKYJHW-JSGCOSHPSA-N 0 3 362.430 1.702 20 5 FDBDHN CCc1n[nH]c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598062191 552862172 /nfs/dbraw/zinc/86/21/72/552862172.db2.gz NRXDGGKURCEQRZ-UHFFFAOYSA-N 0 3 372.429 1.917 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598987802 552954486 /nfs/dbraw/zinc/95/44/86/552954486.db2.gz LOZZPPRPVLQSNK-PXAZEXFGSA-N 0 3 350.371 1.804 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000599024446 552959214 /nfs/dbraw/zinc/95/92/14/552959214.db2.gz QSOCHSDPVQWVIB-DOMZBBRYSA-N 0 3 357.432 1.420 20 5 FDBDHN CN1C2(CCC2)COC[C@]1(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599063207 552964012 /nfs/dbraw/zinc/96/40/12/552964012.db2.gz ZEYRJLJOPRGUHH-QFBILLFUSA-N 0 3 361.442 1.788 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(CN2CCN(C)CC2)C1 ZINC000599108376 552968802 /nfs/dbraw/zinc/96/88/02/552968802.db2.gz MXMDMZKFGSVJBG-UHFFFAOYSA-N 0 3 362.430 1.373 20 5 FDBDHN COc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000599598951 553099411 /nfs/dbraw/zinc/09/94/11/553099411.db2.gz CFSQFUGXPHQCMN-AAEUAGOBSA-N 0 3 350.375 1.520 20 5 FDBDHN COc1ccc(C(C)(C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000599599344 553099630 /nfs/dbraw/zinc/09/96/30/553099630.db2.gz NSFVKGIHMRSFRO-CYBMUJFWSA-N 0 3 352.366 1.825 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470794 553273445 /nfs/dbraw/zinc/27/34/45/553273445.db2.gz ILAWCQXXJLPAAM-SUMWQHHRSA-N 0 3 374.441 1.846 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC(CC)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600681843 553299356 /nfs/dbraw/zinc/29/93/56/553299356.db2.gz GWFSTLKLXWNASZ-UHFFFAOYSA-N 0 3 365.434 1.597 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600681843 553299357 /nfs/dbraw/zinc/29/93/57/553299357.db2.gz GWFSTLKLXWNASZ-UHFFFAOYSA-N 0 3 365.434 1.597 20 5 FDBDHN CN1CCN(C(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602658625 553619644 /nfs/dbraw/zinc/61/96/44/553619644.db2.gz FXSOKYHSMRJNJQ-UHFFFAOYSA-N 0 3 360.458 1.623 20 5 FDBDHN CCOC(=O)[C@]1(COC)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602829947 553646428 /nfs/dbraw/zinc/64/64/28/553646428.db2.gz WIHPHUNLODGJLR-MRXNPFEDSA-N 0 3 354.407 1.391 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000603146498 553715844 /nfs/dbraw/zinc/71/58/44/553715844.db2.gz SPNOXZMRNOUBBM-KBPBESRZSA-N 0 3 358.320 1.915 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000603146501 553715958 /nfs/dbraw/zinc/71/59/58/553715958.db2.gz SPNOXZMRNOUBBM-KGLIPLIRSA-N 0 3 358.320 1.915 20 5 FDBDHN CN1CCCN(CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603404839 553780919 /nfs/dbraw/zinc/78/09/19/553780919.db2.gz ZVGOXPLFAPJBTG-UHFFFAOYSA-N 0 3 370.475 1.042 20 5 FDBDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000604519432 553884292 /nfs/dbraw/zinc/88/42/92/553884292.db2.gz 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CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN1CCCC1 ZINC000609843435 554428492 /nfs/dbraw/zinc/42/84/92/554428492.db2.gz FTEYVWHEUMLKBC-ZDUSSCGKSA-N 0 3 352.439 1.381 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609920411 554438100 /nfs/dbraw/zinc/43/81/00/554438100.db2.gz KKPFQQRQLKTCPK-AWEZNQCLSA-N 0 3 351.407 1.027 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000610426938 554504281 /nfs/dbraw/zinc/50/42/81/554504281.db2.gz RJDZPKYLXCTBEH-ZIAGYGMSSA-N 0 3 364.450 1.428 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000610922980 554581247 /nfs/dbraw/zinc/58/12/47/554581247.db2.gz WGJODGBPFUQZMA-ZDUSSCGKSA-N 0 3 364.450 1.293 20 5 FDBDHN Cn1cc(CN2CCN(C(C)(C)CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611272208 554620936 /nfs/dbraw/zinc/62/09/36/554620936.db2.gz JMQFPQZELXVUBL-UHFFFAOYSA-N 0 3 373.457 1.884 20 5 FDBDHN CCN1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000616135983 555274455 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ZINC000819079814 943432763 /nfs/dbraw/zinc/43/27/63/943432763.db2.gz WMPCNNVMORSOPF-ZDUSSCGKSA-N 0 3 367.402 1.543 20 5 FDBDHN CCN1CCN(c2ccc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000819395685 943551086 /nfs/dbraw/zinc/55/10/86/943551086.db2.gz QPSPUTIMRXMWJO-SFHVURJKSA-N 0 3 374.445 1.406 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000820588172 944114894 /nfs/dbraw/zinc/11/48/94/944114894.db2.gz NFAGIOYGJOVISB-DLBZAZTESA-N 0 3 365.405 1.988 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000856410185 971129163 /nfs/dbraw/zinc/12/91/63/971129163.db2.gz HJCGGTRJRJZGSR-ZDUSSCGKSA-N 0 3 363.418 1.287 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001144874446 951327137 /nfs/dbraw/zinc/32/71/37/951327137.db2.gz JQUMOPQZMYTIEF-UHFFFAOYSA-N 0 3 360.414 1.980 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CCN2CCOCC2)c1F ZINC001173187338 961956686 /nfs/dbraw/zinc/95/66/86/961956686.db2.gz ZLDZJAWUYGKSHG-ZDUSSCGKSA-N 0 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ZINC000865675904 974416764 /nfs/dbraw/zinc/41/67/64/974416764.db2.gz ZOJIYALQYMJMKU-UHFFFAOYSA-N 0 3 352.410 1.372 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867478547 976216347 /nfs/dbraw/zinc/21/63/47/976216347.db2.gz JAMXZTVIFYVVDH-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000850593538 978454382 /nfs/dbraw/zinc/45/43/82/978454382.db2.gz VJALZSYFTQHXRP-NXEZZACHSA-N 0 3 351.787 1.616 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850682046 978603989 /nfs/dbraw/zinc/60/39/89/978603989.db2.gz LZHWMVLJDAFOIK-NSHDSACASA-N 0 3 354.794 1.787 20 5 FDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000882769025 981664612 /nfs/dbraw/zinc/66/46/12/981664612.db2.gz DTKAWXDWOCWANR-UHFFFAOYSA-N 0 3 357.407 1.983 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000885889140 985757673 /nfs/dbraw/zinc/75/76/73/985757673.db2.gz YCRDETLZQBZDBN-AWEZNQCLSA-N 0 3 351.378 1.646 20 5 FDBDHN CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871150617 986716564 /nfs/dbraw/zinc/71/65/64/986716564.db2.gz QPWCQFKJIWNLNV-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN COC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000886914298 986735819 /nfs/dbraw/zinc/73/58/19/986735819.db2.gz URNSATAYQIVQIL-COXVUDFISA-N 0 3 363.414 1.731 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000872222424 987524188 /nfs/dbraw/zinc/52/41/88/987524188.db2.gz UROAAGJWJVXIBN-QYPKEOEOSA-N 0 3 352.412 1.382 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292880526 987921961 /nfs/dbraw/zinc/92/19/61/987921961.db2.gz VOCTUDRLLGVGAU-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN CN(C(=O)CNC1(CO)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000360538362 988070259 /nfs/dbraw/zinc/07/02/59/988070259.db2.gz YPNDRSGDPKZYMJ-UHFFFAOYSA-N 0 3 355.394 1.677 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000366197894 988531806 /nfs/dbraw/zinc/53/18/06/988531806.db2.gz CWXQGQGWLYMFBT-KBPBESRZSA-N 0 3 362.430 1.951 20 5 FDBDHN COc1cc(CNc2ccn(C3CC[NH+](C)CC3)n2)c([N+](=O)[O-])cc1[O-] ZINC000366746324 988764796 /nfs/dbraw/zinc/76/47/96/988764796.db2.gz PPXRFFRXJHHUMC-UHFFFAOYSA-N 0 3 361.402 2.384 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000874832711 990557949 /nfs/dbraw/zinc/55/79/49/990557949.db2.gz HNDXNBVGVUDTBG-HUUCEWRRSA-N 0 3 365.455 1.988 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000874847495 990575633 /nfs/dbraw/zinc/57/56/33/990575633.db2.gz PDTVWYANBTWDKY-KGLIPLIRSA-N 0 3 374.397 1.015 20 5 FDBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc2O1 ZINC000371893707 990805854 /nfs/dbraw/zinc/80/58/54/990805854.db2.gz JVMHCAOYBHLZDF-LBPRGKRZSA-N 0 3 357.370 1.541 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372325535 991015126 /nfs/dbraw/zinc/01/51/26/991015126.db2.gz LAVKCHUNSWYDHP-HOTGVXAUSA-N 0 3 357.414 1.704 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000373104263 991922707 /nfs/dbraw/zinc/92/27/07/991922707.db2.gz NCNFUWBJVHIETP-STQMWFEESA-N 0 3 374.401 1.134 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280717 992103942 /nfs/dbraw/zinc/10/39/42/992103942.db2.gz MMKLHNZZWXRCTM-FQLMCAECSA-N 0 3 363.414 1.453 20 5 FDBDHN Cc1ccc(CNC(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000923914021 994263909 /nfs/dbraw/zinc/26/39/09/994263909.db2.gz XUZJWBLUJDRKRC-MRXNPFEDSA-N 0 3 362.430 1.956 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889764565 998620220 /nfs/dbraw/zinc/62/02/20/998620220.db2.gz XSMPYHOFIOFCRO-SJORKVTESA-N 0 3 370.409 1.814 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000826678858 998820946 /nfs/dbraw/zinc/82/09/46/998820946.db2.gz LKSQTGBRFMHOIL-CQSZACIVSA-N 0 3 365.434 1.202 20 5 FDBDHN Cc1c(CN2CCC(n3cnc(C(N)=O)c3N)CC2)cccc1[N+](=O)[O-] ZINC000284292789 999799538 /nfs/dbraw/zinc/79/95/38/999799538.db2.gz OASXTFXZWLSTER-UHFFFAOYSA-N 0 3 358.402 1.618 20 5 FDBDHN CN(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000288170625 999993105 /nfs/dbraw/zinc/99/31/05/999993105.db2.gz MMPJFSJMPOCPME-OAHLLOKOSA-N 0 3 362.361 1.315 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCN1C ZINC000928437603 1001521231 /nfs/dbraw/zinc/52/12/31/1001521231.db2.gz XQRFFBBEXMTAFT-SKDRFNHKSA-N 0 3 368.340 1.242 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000932715316 1005119558 /nfs/dbraw/zinc/11/95/58/1005119558.db2.gz IHVJZPDHMZHTEK-CYBMUJFWSA-N 0 3 366.487 1.930 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000932833926 1005205392 /nfs/dbraw/zinc/20/53/92/1005205392.db2.gz FSZJJMCJVLVQNM-LBPRGKRZSA-N 0 3 353.806 1.711 20 5 FDBDHN CCN(CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000264464833 179115213 /nfs/dbraw/zinc/11/52/13/179115213.db2.gz HMKZJBPUSZGXIM-UHFFFAOYSA-N 0 3 368.821 1.579 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264499712 179123939 /nfs/dbraw/zinc/12/39/39/179123939.db2.gz KEROROFJIMDQJN-OAHLLOKOSA-N 0 3 370.413 1.876 20 5 FDBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)CCOCC(F)(F)F ZINC000264795189 179204139 /nfs/dbraw/zinc/20/41/39/179204139.db2.gz DGPYJAHOMXCXGO-UHFFFAOYSA-N 0 3 352.309 1.847 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268262770 180039508 /nfs/dbraw/zinc/03/95/08/180039508.db2.gz ZRAGIOWZMOMHPQ-IUODEOHRSA-N 0 3 355.398 1.993 20 5 FDBDHN COCCN(C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269206584 180243607 /nfs/dbraw/zinc/24/36/07/180243607.db2.gz JHMPFPVNZSEVEH-UHFFFAOYSA-N 0 3 350.419 1.847 20 5 FDBDHN O=C(CCN1CC[C@H](NC(=O)NC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000274213493 181047617 /nfs/dbraw/zinc/04/76/17/181047617.db2.gz NGZZVFLMLPJETK-ZDUSSCGKSA-N 0 3 361.402 1.459 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274476685 181102978 /nfs/dbraw/zinc/10/29/78/181102978.db2.gz NQPAGKOOXOLIRU-ZDUSSCGKSA-N 0 3 370.400 1.829 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000274615643 181132833 /nfs/dbraw/zinc/13/28/33/181132833.db2.gz PXHOZALGYVVEDQ-OAHLLOKOSA-N 0 3 363.370 1.412 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000530806105 540045570 /nfs/dbraw/zinc/04/55/70/540045570.db2.gz GDPGQPOGLQFPNQ-SNVBAGLBSA-N 0 3 354.794 1.645 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000533192888 540214005 /nfs/dbraw/zinc/21/40/05/540214005.db2.gz WRCZLWKGLDSOAX-HNNXBMFYSA-N 0 3 358.402 1.215 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000534216485 540335827 /nfs/dbraw/zinc/33/58/27/540335827.db2.gz PZRUOSKLZVAZKD-NILFDRSVSA-N 0 3 352.460 1.899 20 5 FDBDHN CNc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000534518348 540376402 /nfs/dbraw/zinc/37/64/02/540376402.db2.gz ONKRZPRNLMTRGX-UHFFFAOYSA-N 0 3 359.386 1.612 20 5 FDBDHN Cn1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000534916946 540426609 /nfs/dbraw/zinc/42/66/09/540426609.db2.gz PTDKNDHLNPFKLG-CVEARBPZSA-N 0 3 372.425 1.546 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000538381028 540850266 /nfs/dbraw/zinc/85/02/66/540850266.db2.gz WYIVKSVTSMUHIR-ZIAGYGMSSA-N 0 3 352.460 1.819 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275428784 181316035 /nfs/dbraw/zinc/31/60/35/181316035.db2.gz FEXPDQRLVQXXQZ-GFCCVEGCSA-N 0 3 373.413 1.641 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCS1(=O)=O ZINC000542483918 541413593 /nfs/dbraw/zinc/41/35/93/541413593.db2.gz VAAAJKILEPURSL-SWLSCSKDSA-N 0 3 369.443 1.869 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542891911 541496620 /nfs/dbraw/zinc/49/66/20/541496620.db2.gz XUFWMUSGZBYKCL-UHFFFAOYSA-N 0 3 373.356 1.773 20 5 FDBDHN CCOC(=O)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544069768 541709621 /nfs/dbraw/zinc/70/96/21/541709621.db2.gz PJAVECUTBDISDQ-HNNXBMFYSA-N 0 3 366.414 2.000 20 5 FDBDHN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCO1 ZINC000544462132 541771179 /nfs/dbraw/zinc/77/11/79/541771179.db2.gz QHDKLIQBYFEWOZ-ZWNOBZJWSA-N 0 3 351.359 1.809 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000544979873 541862588 /nfs/dbraw/zinc/86/25/88/541862588.db2.gz MSBMDJSRCFPQFF-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2CCN(C3CC3)CC2)cc1 ZINC000277837256 181858928 /nfs/dbraw/zinc/85/89/28/181858928.db2.gz ZTFXSNSAQZWZPN-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1N1CCCC1 ZINC000283233277 182134884 /nfs/dbraw/zinc/13/48/84/182134884.db2.gz TUKKLYOEIKFAFG-GJZGRUSLSA-N 0 3 368.434 1.968 20 5 FDBDHN O=C(CCN1CCC[C@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283319877 182156594 /nfs/dbraw/zinc/15/65/94/182156594.db2.gz OOTHSQKHWRLCBL-HNNXBMFYSA-N 0 3 362.430 1.720 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000545880624 542035852 /nfs/dbraw/zinc/03/58/52/542035852.db2.gz METZLRIBFPFMCP-OAHLLOKOSA-N 0 3 357.794 1.200 20 5 FDBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285081513 182710099 /nfs/dbraw/zinc/71/00/99/182710099.db2.gz KSYSKHPNVGZRMY-UHFFFAOYSA-N 0 3 372.429 1.650 20 5 FDBDHN CC(=O)c1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000286377142 183051327 /nfs/dbraw/zinc/05/13/27/183051327.db2.gz XYLLWHFDVXOCAZ-KRWDZBQOSA-N 0 3 360.414 1.540 20 5 FDBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286630559 183114698 /nfs/dbraw/zinc/11/46/98/183114698.db2.gz YGCKOJOVZSTALF-GOEBONIOSA-N 0 3 365.430 1.715 20 5 FDBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286618352 183110455 /nfs/dbraw/zinc/11/04/55/183110455.db2.gz XNKJBNRHQAJFGD-GJZGRUSLSA-N 0 3 365.430 1.715 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286878548 183165520 /nfs/dbraw/zinc/16/55/20/183165520.db2.gz ZEHPBFMCDALZOP-TZMCWYRMSA-N 0 3 369.443 1.851 20 5 FDBDHN CSc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000294753374 184005882 /nfs/dbraw/zinc/00/58/82/184005882.db2.gz IUZHMZMZHBGSGR-HNNXBMFYSA-N 0 3 363.443 1.932 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294793942 184009758 /nfs/dbraw/zinc/00/97/58/184009758.db2.gz ONKFONRKLAGSQH-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294967616 184023896 /nfs/dbraw/zinc/02/38/96/184023896.db2.gz NYQRJEGXWXAUTO-NSHDSACASA-N 0 3 354.432 1.163 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295472924 184074736 /nfs/dbraw/zinc/07/47/36/184074736.db2.gz YOKVDDPBGXALEI-ZDUSSCGKSA-N 0 3 370.413 1.732 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000295397874 184066422 /nfs/dbraw/zinc/06/64/22/184066422.db2.gz IGNYCHRIGPBVGJ-MRXNPFEDSA-N 0 3 364.446 1.750 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000296351389 184156699 /nfs/dbraw/zinc/15/66/99/184156699.db2.gz HTLAKUXVXSNXDP-KBPBESRZSA-N 0 3 374.445 1.447 20 5 FDBDHN COC[C@@]1(C(=O)OC)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296361762 184157787 /nfs/dbraw/zinc/15/77/87/184157787.db2.gz QXOYWXANNTWFMY-QGZVFWFLSA-N 0 3 368.386 1.494 20 5 FDBDHN C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@H]1C ZINC000296916257 184214480 /nfs/dbraw/zinc/21/44/80/184214480.db2.gz KMYOQWCDVNBZTR-RBSFLKMASA-N 0 3 361.446 1.900 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296885191 184211102 /nfs/dbraw/zinc/21/11/02/184211102.db2.gz NLVLVEBGRZPZNJ-LBPRGKRZSA-N 0 3 352.391 1.572 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000297125067 184236965 /nfs/dbraw/zinc/23/69/65/184236965.db2.gz XBBPWGNEHPSPCC-NWDGAFQWSA-N 0 3 364.377 1.676 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000297325097 184257910 /nfs/dbraw/zinc/25/79/10/184257910.db2.gz JBGHZEYVCKIUAV-BXUZGUMPSA-N 0 3 366.393 1.826 20 5 FDBDHN C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297469758 184275109 /nfs/dbraw/zinc/27/51/09/184275109.db2.gz URBRVEHZEXMFDU-DZGCQCFKSA-N 0 3 350.419 1.802 20 5 FDBDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[n-]nc3[N+](=O)[O-])cc2)C1 ZINC000547758189 542438918 /nfs/dbraw/zinc/43/89/18/542438918.db2.gz KLFWLTMFCFYHQO-GFCCVEGCSA-N 0 3 372.385 1.268 20 5 FDBDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[n-]nc3[N+](=O)[O-])cc2)C1 ZINC000547758189 542438919 /nfs/dbraw/zinc/43/89/19/542438919.db2.gz KLFWLTMFCFYHQO-GFCCVEGCSA-N 0 3 372.385 1.268 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000547764097 542439766 /nfs/dbraw/zinc/43/97/66/542439766.db2.gz VBQZACCOPWIRDC-TXEJJXNPSA-N 0 3 351.407 1.191 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000189123949 177909387 /nfs/dbraw/zinc/90/93/87/177909387.db2.gz NJAVRNXUCNRYPG-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000548126714 542563870 /nfs/dbraw/zinc/56/38/70/542563870.db2.gz HETNIHJINQKKLU-INIZCTEOSA-N 0 3 362.430 1.657 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172299938 258273119 /nfs/dbraw/zinc/27/31/19/258273119.db2.gz ZNYIEEYZWREQBT-CQSZACIVSA-N 0 3 351.403 1.705 20 5 FDBDHN CCC[C@H](NCC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000551814552 543344622 /nfs/dbraw/zinc/34/46/22/543344622.db2.gz XRTNUCFNLFAGTF-HNNXBMFYSA-N 0 3 356.444 1.965 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000552436388 543467133 /nfs/dbraw/zinc/46/71/33/543467133.db2.gz BJECOOOVYGOSEA-UHFFFAOYSA-N 0 3 373.413 1.731 20 5 FDBDHN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000073818035 172069436 /nfs/dbraw/zinc/06/94/36/172069436.db2.gz DJOKJGYOAPCYHI-HNNXBMFYSA-N 0 3 363.462 1.320 20 5 FDBDHN CCN1CCN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000074137597 172074208 /nfs/dbraw/zinc/07/42/08/172074208.db2.gz IAKSMPWVMDYRMG-UHFFFAOYSA-N 0 3 363.462 1.541 20 5 FDBDHN CC(C)OCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000074390328 172080159 /nfs/dbraw/zinc/08/01/59/172080159.db2.gz QNERVFUCVQTAMC-UHFFFAOYSA-N 0 3 361.402 1.654 20 5 FDBDHN CCOC(=O)c1ccnc(NCCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000077928275 172140581 /nfs/dbraw/zinc/14/05/81/172140581.db2.gz FNZWDGIANPXWAZ-UHFFFAOYSA-N 0 3 365.434 1.606 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000085456780 172218498 /nfs/dbraw/zinc/21/84/98/172218498.db2.gz JCLJARWQASFYAC-STQMWFEESA-N 0 3 350.419 1.796 20 5 FDBDHN Cc1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000103122644 172359600 /nfs/dbraw/zinc/35/96/00/172359600.db2.gz BYAFSMWQNILKNJ-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000127101961 173064644 /nfs/dbraw/zinc/06/46/44/173064644.db2.gz HCUPDJDBPASCPG-CYBMUJFWSA-N 0 3 364.475 1.910 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000131122166 173191704 /nfs/dbraw/zinc/19/17/04/173191704.db2.gz VUGQIARXRWKORH-TXEJJXNPSA-N 0 3 351.407 1.279 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131988547 173219335 /nfs/dbraw/zinc/21/93/35/173219335.db2.gz SROWHOLZFPOGIC-OAHLLOKOSA-N 0 3 361.402 1.541 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134228374 173321344 /nfs/dbraw/zinc/32/13/44/173321344.db2.gz UUWHZLHLZCSPKE-CQSZACIVSA-N 0 3 366.393 1.406 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170868279 173844581 /nfs/dbraw/zinc/84/45/81/173844581.db2.gz VQMORNLJLRBFED-DOTOQJQBSA-N 0 3 374.441 1.670 20 5 FDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)N(C)C ZINC000181652226 174239468 /nfs/dbraw/zinc/23/94/68/174239468.db2.gz PZVVOKXOKLUPEB-UHFFFAOYSA-N 0 3 354.382 1.863 20 5 FDBDHN O=C1CCCN1C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000179549724 258353710 /nfs/dbraw/zinc/35/37/10/258353710.db2.gz FNFQFQSHOLMUFI-QGZVFWFLSA-N 0 3 370.409 1.710 20 5 FDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173700128 258308330 /nfs/dbraw/zinc/30/83/30/258308330.db2.gz HEJZUSNONHJAEW-MRXNPFEDSA-N 0 3 357.414 1.914 20 5 FDBDHN COc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184356299 258381225 /nfs/dbraw/zinc/38/12/25/258381225.db2.gz VWKJAQYBOLLOTB-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000245896077 258396770 /nfs/dbraw/zinc/39/67/70/258396770.db2.gz KJJJRFWLGOHAGK-DZGCQCFKSA-N 0 3 355.460 1.739 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3OC)CC2)n1 ZINC000553208583 543587932 /nfs/dbraw/zinc/58/79/32/543587932.db2.gz PJASEMMCDDUVRH-UHFFFAOYSA-N 0 3 373.369 1.507 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000554512865 543814338 /nfs/dbraw/zinc/81/43/38/543814338.db2.gz WMRKCHTZGMCXHD-GFCCVEGCSA-N 0 3 364.402 1.079 20 5 FDBDHN COCCN(C)CC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000554860911 543882713 /nfs/dbraw/zinc/88/27/13/543882713.db2.gz SBXTYEPVXJUXCG-OAHLLOKOSA-N 0 3 361.402 1.757 20 5 FDBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000556661679 544170760 /nfs/dbraw/zinc/17/07/60/544170760.db2.gz PJGBUOXYRKFSSV-CYBMUJFWSA-N 0 3 362.430 1.326 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnnn1C[C@H]1CCN(C)C1 ZINC000558012377 544372713 /nfs/dbraw/zinc/37/27/13/544372713.db2.gz GZRGLMBJOJCFQJ-JTQLQIEISA-N 0 3 352.424 1.209 20 5 FDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCCC1 ZINC000557930265 544363911 /nfs/dbraw/zinc/36/39/11/544363911.db2.gz BVAYSBRLIFGOFO-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)CCN(C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000559138649 544594393 /nfs/dbraw/zinc/59/43/93/544594393.db2.gz HEKBQBBWZVPNFS-UHFFFAOYSA-N 0 3 373.479 1.696 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289617371 258834362 /nfs/dbraw/zinc/83/43/62/258834362.db2.gz YUPMGVHWFKFOGZ-KRWDZBQOSA-N 0 3 354.410 1.894 20 5 FDBDHN O=C(c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301167839 259022185 /nfs/dbraw/zinc/02/21/85/259022185.db2.gz VPQGQILERRLQIZ-MRXNPFEDSA-N 0 3 374.441 1.742 20 5 FDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000301701448 259032131 /nfs/dbraw/zinc/03/21/31/259032131.db2.gz FZWQEFQIRSXQFU-CQSZACIVSA-N 0 3 366.393 1.485 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330454889 259145580 /nfs/dbraw/zinc/14/55/80/259145580.db2.gz NLFASMNFDVHTOI-NWDGAFQWSA-N 0 3 359.452 1.162 20 5 FDBDHN CS[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000331376984 259190349 /nfs/dbraw/zinc/19/03/49/259190349.db2.gz DSGFXUJQLDTJER-ZIAGYGMSSA-N 0 3 367.475 1.565 20 5 FDBDHN CC(C)CN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000369311418 260338756 /nfs/dbraw/zinc/33/87/56/260338756.db2.gz WCKHKQQPWPYVJR-UHFFFAOYSA-N 0 3 356.448 1.410 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000369345509 260344446 /nfs/dbraw/zinc/34/44/46/260344446.db2.gz UWICGZUUBOMQSZ-YRGRVCCFSA-N 0 3 365.434 1.500 20 5 FDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000369655831 260408482 /nfs/dbraw/zinc/40/84/82/260408482.db2.gz QHIGPEFPQQRDBL-WFASDCNBSA-N 0 3 358.402 1.698 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000373775395 261039423 /nfs/dbraw/zinc/03/94/23/261039423.db2.gz CINPEEYSSLBBRH-MRXNPFEDSA-N 0 3 362.430 1.518 20 5 FDBDHN Cc1c(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000374324243 261110578 /nfs/dbraw/zinc/11/05/78/261110578.db2.gz AYEITXXFAXYKSU-QAPCUYQASA-N 0 3 374.485 1.930 20 5 FDBDHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375376813 261326547 /nfs/dbraw/zinc/32/65/47/261326547.db2.gz CURAZHFKVYNQAF-UONOGXRCSA-N 0 3 350.423 1.622 20 5 FDBDHN COc1ccc(NC(=O)CN2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270629232 674240429 /nfs/dbraw/zinc/24/04/29/674240429.db2.gz GFCUDMJGJCCKFG-LSDHHAIUSA-N 0 3 368.459 1.519 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000041361756 519653254 /nfs/dbraw/zinc/65/32/54/519653254.db2.gz WSWCQJGJAIREHF-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN COCCN(C)CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041967622 519675229 /nfs/dbraw/zinc/67/52/29/519675229.db2.gz KJPQOSAMJUXNED-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000069490126 521888503 /nfs/dbraw/zinc/88/85/03/521888503.db2.gz WBBQHUNJIJZZQH-KRWDZBQOSA-N 0 3 374.441 1.802 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000069490123 521889607 /nfs/dbraw/zinc/88/96/07/521889607.db2.gz WBBQHUNJIJZZQH-QGZVFWFLSA-N 0 3 374.441 1.802 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000069529780 521907462 /nfs/dbraw/zinc/90/74/62/521907462.db2.gz SHVITCFLNLETTN-HNNXBMFYSA-N 0 3 373.413 1.621 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000046939380 522393864 /nfs/dbraw/zinc/39/38/64/522393864.db2.gz WZRFTIQASMUTRB-UHFFFAOYSA-N 0 3 372.429 1.568 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073018551 522450470 /nfs/dbraw/zinc/45/04/70/522450470.db2.gz SNADNFPCSPWFHE-ZDUSSCGKSA-N 0 3 363.414 1.899 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000062228120 522515554 /nfs/dbraw/zinc/51/55/54/522515554.db2.gz GIGYBPOPALHHLR-MRXNPFEDSA-N 0 3 357.414 1.962 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000048716958 522772474 /nfs/dbraw/zinc/77/24/74/522772474.db2.gz OESNFHQDCMXUEL-TZMCWYRMSA-N 0 3 370.427 1.502 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066613418 523135223 /nfs/dbraw/zinc/13/52/23/523135223.db2.gz SUBVBQBKYXDAAC-UHFFFAOYSA-N 0 3 353.375 1.064 20 5 FDBDHN CC(C)N(C)CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000067548149 523490597 /nfs/dbraw/zinc/49/05/97/523490597.db2.gz GQRFTDGXMLOANE-UHFFFAOYSA-N 0 3 357.432 1.458 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067636540 523529779 /nfs/dbraw/zinc/52/97/79/523529779.db2.gz CDLXCFGUAFXXLO-MRXNPFEDSA-N 0 3 350.419 1.487 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000068182321 523718489 /nfs/dbraw/zinc/71/84/89/523718489.db2.gz QAFAILMYJKFOTH-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068497934 523803402 /nfs/dbraw/zinc/80/34/02/523803402.db2.gz HPQLVSQTIXAYID-UHFFFAOYSA-N 0 3 362.430 1.054 20 5 FDBDHN CC(C)N1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068800745 523862796 /nfs/dbraw/zinc/86/27/96/523862796.db2.gz UXRXCQGWPLORQU-AWEZNQCLSA-N 0 3 362.430 1.656 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)NCc2ccccc2[N+](=O)[O-])ccn1 ZINC000135064320 524109436 /nfs/dbraw/zinc/10/94/36/524109436.db2.gz RQNXZGGVBHUJDZ-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000172332100 524203278 /nfs/dbraw/zinc/20/32/78/524203278.db2.gz QPZPBVDUVCWAQS-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000138551453 524260635 /nfs/dbraw/zinc/26/06/35/524260635.db2.gz OJCZOTDAJDSCMM-UHFFFAOYSA-N 0 3 365.386 1.222 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000121882500 524394546 /nfs/dbraw/zinc/39/45/46/524394546.db2.gz WQASNWABAYVGDW-CYBMUJFWSA-N 0 3 366.487 1.930 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000112362231 524470762 /nfs/dbraw/zinc/47/07/62/524470762.db2.gz ZMNDPBLSPCVDGE-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112922827 524600885 /nfs/dbraw/zinc/60/08/85/524600885.db2.gz DJYOJEQOIFMGNM-ZDUSSCGKSA-N 0 3 374.445 1.475 20 5 FDBDHN Cc1c(CC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122766752 524611356 /nfs/dbraw/zinc/61/13/56/524611356.db2.gz VQNXIVZYACHMRJ-SFHVURJKSA-N 0 3 362.474 1.834 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122825832 524625399 /nfs/dbraw/zinc/62/53/99/524625399.db2.gz DKJXQCYCRPJUBJ-HNNXBMFYSA-N 0 3 362.474 1.836 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000174665884 524681749 /nfs/dbraw/zinc/68/17/49/524681749.db2.gz DUYCCPMLSULHAA-GJZGRUSLSA-N 0 3 366.443 1.895 20 5 FDBDHN CN(CCOc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174694913 524694483 /nfs/dbraw/zinc/69/44/83/524694483.db2.gz LCXVAMWSRUWTOE-CQSZACIVSA-N 0 3 354.794 1.816 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000123373583 524738493 /nfs/dbraw/zinc/73/84/93/524738493.db2.gz ZRXWFJVIIWBHJU-NWDGAFQWSA-N 0 3 362.386 1.444 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000123373831 524740547 /nfs/dbraw/zinc/74/05/47/524740547.db2.gz ZRXWFJVIIWBHJU-NEPJUHHUSA-N 0 3 362.386 1.444 20 5 FDBDHN CN(C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000174847307 524759729 /nfs/dbraw/zinc/75/97/29/524759729.db2.gz DOBLFCQZQUCMDZ-ZDUSSCGKSA-N 0 3 353.423 1.980 20 5 FDBDHN C[C@H]1CN(Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000159914030 524766495 /nfs/dbraw/zinc/76/64/95/524766495.db2.gz NDBRSAPTBLBLSG-STQMWFEESA-N 0 3 373.413 1.857 20 5 FDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000114380070 524781341 /nfs/dbraw/zinc/78/13/41/524781341.db2.gz JLVLGTRKNWWACD-GFCCVEGCSA-N 0 3 365.390 1.116 20 5 FDBDHN COc1cc(OCC(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115432493 524992317 /nfs/dbraw/zinc/99/23/17/524992317.db2.gz BADVCQYQICVMRU-CYBMUJFWSA-N 0 3 351.403 1.782 20 5 FDBDHN Cc1c([C@@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000160991799 525009901 /nfs/dbraw/zinc/00/99/01/525009901.db2.gz WSRSTJYIFLMMTL-CYBMUJFWSA-N 0 3 370.409 1.969 20 5 FDBDHN COc1ccc(CNC2CCN(C(=O)c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000124653538 525044520 /nfs/dbraw/zinc/04/45/20/525044520.db2.gz YZWBYDILHVTUQE-UHFFFAOYSA-N 0 3 371.397 1.788 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000161470026 525114759 /nfs/dbraw/zinc/11/47/59/525114759.db2.gz WWYNSQGFGIXGMO-CYBMUJFWSA-N 0 3 365.839 1.148 20 5 FDBDHN CC1CC[NH+](C[C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000161677597 525149924 /nfs/dbraw/zinc/14/99/24/525149924.db2.gz VOTQBXGMEJBPDJ-NSHDSACASA-N 0 3 363.461 1.027 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000162202985 525227259 /nfs/dbraw/zinc/22/72/59/525227259.db2.gz RGSPDVVVLHPBHZ-HNNXBMFYSA-N 0 3 366.849 1.987 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408690 525256983 /nfs/dbraw/zinc/25/69/83/525256983.db2.gz IAEWAKUMPXBWOZ-MRXNPFEDSA-N 0 3 362.430 1.212 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117253923 525292762 /nfs/dbraw/zinc/29/27/62/525292762.db2.gz JRQTVUNRBYKMNM-UHFFFAOYSA-N 0 3 362.386 1.087 20 5 FDBDHN NC(=O)C[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117337220 525322434 /nfs/dbraw/zinc/32/24/34/525322434.db2.gz PUIOYVZWXWVJBC-GFCCVEGCSA-N 0 3 362.386 1.623 20 5 FDBDHN CNC(=O)[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000117341056 525322519 /nfs/dbraw/zinc/32/25/19/525322519.db2.gz BJJCFJQQNDGGFU-LBPRGKRZSA-N 0 3 362.386 1.351 20 5 FDBDHN CC(C)(C)[C@@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(N)=O ZINC000117340312 525324060 /nfs/dbraw/zinc/32/40/60/525324060.db2.gz LWCYVPJCJUOWKT-ZDUSSCGKSA-N 0 3 350.375 1.382 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000103450365 525354524 /nfs/dbraw/zinc/35/45/24/525354524.db2.gz HTFPENXYJQVXOT-UHFFFAOYSA-N 0 3 369.443 1.412 20 5 FDBDHN CN(C)CCOc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000127183151 525393350 /nfs/dbraw/zinc/39/33/50/525393350.db2.gz OTANDXSPESWZNW-UHFFFAOYSA-N 0 3 374.397 1.013 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000163614667 525431530 /nfs/dbraw/zinc/43/15/30/525431530.db2.gz FEXAUWLOLDRPJY-HIFRSBDPSA-N 0 3 355.460 1.882 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000127762123 525460343 /nfs/dbraw/zinc/46/03/43/525460343.db2.gz KBOJFLCVOWLGOH-HNNXBMFYSA-N 0 3 368.409 1.556 20 5 FDBDHN CC(C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000127853496 525473908 /nfs/dbraw/zinc/47/39/08/525473908.db2.gz GYTJOIZJDXFBEN-HNNXBMFYSA-N 0 3 364.446 1.346 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164482381 525509228 /nfs/dbraw/zinc/50/92/28/525509228.db2.gz QJJOTZASNSWRAQ-UHFFFAOYSA-N 0 3 359.430 1.965 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000164517803 525513663 /nfs/dbraw/zinc/51/36/63/525513663.db2.gz LRXWNTNSYUHDPD-KMFMINBZSA-N 0 3 374.441 1.656 20 5 FDBDHN CCN1CCN(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639602 525653120 /nfs/dbraw/zinc/65/31/20/525653120.db2.gz WFCZMQHWQTYLCW-UHFFFAOYSA-N 0 3 361.446 1.919 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000130103936 525721453 /nfs/dbraw/zinc/72/14/53/525721453.db2.gz YNVFMVSUPUURNB-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170868284 525747250 /nfs/dbraw/zinc/74/72/50/525747250.db2.gz VQMORNLJLRBFED-NVXWUHKLSA-N 0 3 374.441 1.670 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106963074 525835243 /nfs/dbraw/zinc/83/52/43/525835243.db2.gz JIPBSFNRDWOOQY-CYBMUJFWSA-N 0 3 360.414 1.975 20 5 FDBDHN CN(C)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000119790065 525864760 /nfs/dbraw/zinc/86/47/60/525864760.db2.gz HLXOTJNCSATVSG-UHFFFAOYSA-N 0 3 363.155 1.491 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000171225937 525908990 /nfs/dbraw/zinc/90/89/90/525908990.db2.gz CXMGTUYSDOBABN-ZIAGYGMSSA-N 0 3 365.434 1.139 20 5 FDBDHN NC(=O)C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCCC1 ZINC000181768536 525922308 /nfs/dbraw/zinc/92/23/08/525922308.db2.gz HUOFJGVBZAHRLY-UHFFFAOYSA-N 0 3 352.366 1.840 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108303743 525949541 /nfs/dbraw/zinc/94/95/41/525949541.db2.gz ZDZSZHFMZXWRDL-IUODEOHRSA-N 0 3 360.414 1.314 20 5 FDBDHN NC(=O)C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000182037055 526029922 /nfs/dbraw/zinc/02/99/22/526029922.db2.gz BOLQUEAKFMAUBQ-INIZCTEOSA-N 0 3 374.441 1.898 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182053924 526036294 /nfs/dbraw/zinc/03/62/94/526036294.db2.gz UHMWUOQTTYKVCD-BLLLJJGKSA-N 0 3 357.374 1.084 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](N(C)C)C1 ZINC000109807003 526188358 /nfs/dbraw/zinc/18/83/58/526188358.db2.gz WPPBHNZTANPFAR-OCCSQVGLSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000109806952 526189170 /nfs/dbraw/zinc/18/91/70/526189170.db2.gz CECVHARPKVVUHY-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183770633 536048160 /nfs/dbraw/zinc/04/81/60/536048160.db2.gz KJNZSPLXDNUDJI-KRWDZBQOSA-N 0 3 373.413 1.064 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000184261245 536123966 /nfs/dbraw/zinc/12/39/66/536123966.db2.gz CKMHVDRBNCMTOV-UHFFFAOYSA-N 0 3 372.429 1.962 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185007085 536195707 /nfs/dbraw/zinc/19/57/07/536195707.db2.gz SYWZVJVLHFMNLE-KBPBESRZSA-N 0 3 366.437 1.980 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000186784122 536244189 /nfs/dbraw/zinc/24/41/89/536244189.db2.gz LCKVAPSLADWTMH-UHFFFAOYSA-N 0 3 368.821 1.531 20 5 FDBDHN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](c1ccccc1)N(C)C ZINC000187199210 536257299 /nfs/dbraw/zinc/25/72/99/536257299.db2.gz DUSFUSAFVOBGHN-FZKQIMNGSA-N 0 3 358.398 1.564 20 5 FDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000187461604 536267020 /nfs/dbraw/zinc/26/70/20/536267020.db2.gz YVWLBXHYFRAMIP-OAHLLOKOSA-N 0 3 357.414 1.969 20 5 FDBDHN CCN1CCN(CCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188510714 536295146 /nfs/dbraw/zinc/29/51/46/536295146.db2.gz PEFCHQKADCFSRI-UHFFFAOYSA-N 0 3 362.430 1.212 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246413016 536948136 /nfs/dbraw/zinc/94/81/36/536948136.db2.gz CDJLEXJSQBUJCX-NWANDNLSSA-N 0 3 350.375 1.333 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246494847 536965930 /nfs/dbraw/zinc/96/59/30/536965930.db2.gz XMCBCYDLKLJAKY-GXTWGEPZSA-N 0 3 371.459 1.954 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246512177 536970125 /nfs/dbraw/zinc/97/01/25/536970125.db2.gz BTTDUABMLIVMTM-GOEBONIOSA-N 0 3 353.444 1.841 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000246827099 537034458 /nfs/dbraw/zinc/03/44/58/537034458.db2.gz BKYLGNKRFKAMIW-DGCLKSJQSA-N 0 3 357.407 1.839 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000189374248 537035797 /nfs/dbraw/zinc/03/57/97/537035797.db2.gz GHDLIDYXMZBSOC-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN CN(C)C1(CN(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000189523782 537059592 /nfs/dbraw/zinc/05/95/92/537059592.db2.gz JLUHZIAFBKJMDA-UHFFFAOYSA-N 0 3 358.398 1.993 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000247289432 537104289 /nfs/dbraw/zinc/10/42/89/537104289.db2.gz GIMULVWXPXRSDT-DGCLKSJQSA-N 0 3 369.443 1.411 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000247663479 537143992 /nfs/dbraw/zinc/14/39/92/537143992.db2.gz YGLWMCHCZAUSCL-AAEUAGOBSA-N 0 3 357.407 1.839 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1N(C)C ZINC000270535252 537351564 /nfs/dbraw/zinc/35/15/64/537351564.db2.gz WGEDWNQHELESAT-LSDHHAIUSA-N 0 3 352.460 1.778 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC1 ZINC000276267209 537377842 /nfs/dbraw/zinc/37/78/42/537377842.db2.gz VAVLMRREHDDUJO-UHFFFAOYSA-N 0 3 371.415 1.146 20 5 FDBDHN C[C@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000273085420 537392276 /nfs/dbraw/zinc/39/22/76/537392276.db2.gz RNAFYGZBEQEVMF-SJORKVTESA-N 0 3 363.370 1.809 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C1CC1 ZINC000271605265 537463450 /nfs/dbraw/zinc/46/34/50/537463450.db2.gz JAWNPAWDYMENQB-UHFFFAOYSA-N 0 3 358.420 1.283 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299277295 537531142 /nfs/dbraw/zinc/53/11/42/537531142.db2.gz PFIGFWMWYRHELN-UHFFFAOYSA-N 0 3 359.430 1.814 20 5 FDBDHN CN(C)C1(CN(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275811324 537576800 /nfs/dbraw/zinc/57/68/00/537576800.db2.gz YPKCCOVPYPLSNC-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN CC(C)C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236698241 537597114 /nfs/dbraw/zinc/59/71/14/537597114.db2.gz HUOQTIGYZMBBAY-LLVKDONJSA-N 0 3 354.432 1.314 20 5 FDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000293920511 537625305 /nfs/dbraw/zinc/62/53/05/537625305.db2.gz IKMLHRIVFCPCCS-SFHVURJKSA-N 0 3 361.398 1.924 20 5 FDBDHN C[C@H](CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289941269 537631754 /nfs/dbraw/zinc/63/17/54/537631754.db2.gz PRWTUJJRCZUUSZ-QMMMGPOBSA-N 0 3 350.156 1.917 20 5 FDBDHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000291749379 537671825 /nfs/dbraw/zinc/67/18/25/537671825.db2.gz JZMDVMIVRTVEJY-ZDUSSCGKSA-N 0 3 360.414 1.866 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294202273 537673810 /nfs/dbraw/zinc/67/38/10/537673810.db2.gz VBCGQWUMPBYSCW-UHFFFAOYSA-N 0 3 364.381 1.810 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291837636 537683419 /nfs/dbraw/zinc/68/34/19/537683419.db2.gz GNRGJBVYXKEPDL-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN COc1cc(OCC(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294351937 537686704 /nfs/dbraw/zinc/68/67/04/537686704.db2.gz YNSUMRBKFBBVOP-SFHVURJKSA-N 0 3 363.414 1.927 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292005077 537697850 /nfs/dbraw/zinc/69/78/50/537697850.db2.gz LYILYODIMRLIBJ-INIZCTEOSA-N 0 3 353.444 1.495 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285436915 537711266 /nfs/dbraw/zinc/71/12/66/537711266.db2.gz XGDCJVYNELWSPS-UKRRQHHQSA-N 0 3 353.444 1.983 20 5 FDBDHN COC(=O)C[C@]1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000411544388 537766973 /nfs/dbraw/zinc/76/69/73/537766973.db2.gz NXWCFNGRYLJQKW-MRXNPFEDSA-N 0 3 351.359 1.235 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366602840 537796501 /nfs/dbraw/zinc/79/65/01/537796501.db2.gz RWTNFSCCVZYQCA-SFHVURJKSA-N 0 3 355.398 1.948 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000371362358 537821104 /nfs/dbraw/zinc/82/11/04/537821104.db2.gz VRYPIUDHBXKZHV-KGLIPLIRSA-N 0 3 371.397 1.374 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC(=O)N[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000366933684 537894771 /nfs/dbraw/zinc/89/47/71/537894771.db2.gz LXUAXZFTWAGFJT-PZSREKOKSA-N 0 3 360.414 1.877 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CCN1 ZINC000450888865 538165871 /nfs/dbraw/zinc/16/58/71/538165871.db2.gz ASZQWIRJCPOYNJ-CQSZACIVSA-N 0 3 369.425 1.934 20 5 FDBDHN COc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000446382213 538293428 /nfs/dbraw/zinc/29/34/28/538293428.db2.gz ALKFVGOBHZSTGE-WBHUJUFNSA-N 0 3 363.414 1.752 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424996072 538366003 /nfs/dbraw/zinc/36/60/03/538366003.db2.gz AGBCADOEHIZQNS-DOTOQJQBSA-N 0 3 355.398 1.524 20 5 FDBDHN COCC(C)(C)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421383104 538399951 /nfs/dbraw/zinc/39/99/51/538399951.db2.gz LKWRNNLBWUNRBJ-UHFFFAOYSA-N 0 3 359.448 1.478 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457063236 538470645 /nfs/dbraw/zinc/47/06/45/538470645.db2.gz BQKUMWJXXOEBED-INIZCTEOSA-N 0 3 362.430 1.656 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000454115585 538515827 /nfs/dbraw/zinc/51/58/27/538515827.db2.gz XFMGGFMSMNYBOX-ZDUSSCGKSA-N 0 3 364.402 1.483 20 5 FDBDHN CN(C)CCN(Cc1ccsc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458554959 538613599 /nfs/dbraw/zinc/61/35/99/538613599.db2.gz IYKISZHRNRUZHH-UHFFFAOYSA-N 0 3 366.447 1.626 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477259326 538616665 /nfs/dbraw/zinc/61/66/65/538616665.db2.gz VIERXRNXQDRHRD-UHFFFAOYSA-N 0 3 353.394 1.846 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000501208033 538639326 /nfs/dbraw/zinc/63/93/26/538639326.db2.gz WVGJUKFKCVFSQV-UHFFFAOYSA-N 0 3 373.413 1.733 20 5 FDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462701198 538653182 /nfs/dbraw/zinc/65/31/82/538653182.db2.gz HMJWVPPWQQZAFJ-GOSISDBHSA-N 0 3 358.398 2.047 20 5 FDBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472594210 538666581 /nfs/dbraw/zinc/66/65/81/538666581.db2.gz AVGTVESGNGHYPY-UHFFFAOYSA-N 0 3 352.366 1.615 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000472655641 538680445 /nfs/dbraw/zinc/68/04/45/538680445.db2.gz PTGVHSWHWSZQDI-UHFFFAOYSA-N 0 3 356.448 1.376 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000478439899 538741840 /nfs/dbraw/zinc/74/18/40/538741840.db2.gz TTZNPJLEYNPLIT-UHFFFAOYSA-N 0 3 374.401 1.242 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCN(c3ccncc3OC)CC2)c1[N+](=O)[O-] ZINC000478484533 538746868 /nfs/dbraw/zinc/74/68/68/538746868.db2.gz WJHOUGMQLRVRFM-UHFFFAOYSA-N 0 3 374.401 1.636 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC1CCN(C)CC1 ZINC000469214644 538786439 /nfs/dbraw/zinc/78/64/39/538786439.db2.gz VAODVPVVOKXVAY-CQSZACIVSA-N 0 3 366.466 1.627 20 5 FDBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000484648009 538794842 /nfs/dbraw/zinc/79/48/42/538794842.db2.gz ZLVPJMMHSNHINH-DIOULYMOSA-N 0 3 367.402 1.714 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000474342622 538834764 /nfs/dbraw/zinc/83/47/64/538834764.db2.gz QIOHBFFSQVMJFP-NSHDSACASA-N 0 3 362.386 1.899 20 5 FDBDHN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000489748160 538839372 /nfs/dbraw/zinc/83/93/72/538839372.db2.gz TYRGSWSIEQTYFC-ZDUSSCGKSA-N 0 3 350.423 1.307 20 5 FDBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000562984995 546342522 /nfs/dbraw/zinc/34/25/22/546342522.db2.gz NYBIAULZDSYOEN-LBPRGKRZSA-N 0 3 365.411 1.416 20 5 FDBDHN COc1ccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000563116709 546414402 /nfs/dbraw/zinc/41/44/02/546414402.db2.gz MFZGEUWEWLAZNA-ZDUSSCGKSA-N 0 3 360.374 1.131 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000565921832 547532706 /nfs/dbraw/zinc/53/27/06/547532706.db2.gz GQAUAVNPGYYEFK-NSHDSACASA-N 0 3 352.391 1.387 20 5 FDBDHN O=c1[nH]c2ccccc2n1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566110963 547608938 /nfs/dbraw/zinc/60/89/38/547608938.db2.gz UUNBDTVXLNTFHJ-ZDUSSCGKSA-N 0 3 372.381 1.680 20 5 FDBDHN CCc1ccc(S(=O)(=O)NCCN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000566169135 547636862 /nfs/dbraw/zinc/63/68/62/547636862.db2.gz GBUJBCJCMKCOFA-UHFFFAOYSA-N 0 3 370.475 1.073 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)[C@@H]2C1 ZINC000566616335 547827097 /nfs/dbraw/zinc/82/70/97/547827097.db2.gz DGAIPAFTOBGQSV-WMLDXEAASA-N 0 3 372.425 1.032 20 5 FDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cnc(N2CCNCC2)nc1 ZINC000567570270 548163839 /nfs/dbraw/zinc/16/38/39/548163839.db2.gz JHGVNVWNQSKXET-UHFFFAOYSA-N 0 3 357.374 1.116 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000568602048 548600024 /nfs/dbraw/zinc/60/00/24/548600024.db2.gz IJDVSMPBYQXLAR-AWEZNQCLSA-N 0 3 360.414 1.847 20 5 FDBDHN CNc1nccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571775030 549760751 /nfs/dbraw/zinc/76/07/51/549760751.db2.gz ORTWRIHUOQZOLB-OAHLLOKOSA-N 0 3 369.425 2.283 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572547027 549939776 /nfs/dbraw/zinc/93/97/76/549939776.db2.gz WPVZCVAQYICSTO-CQSZACIVSA-N 0 3 374.441 1.470 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CC[NH2+]CC3)cs2)n1 ZINC000573443604 550139053 /nfs/dbraw/zinc/13/90/53/550139053.db2.gz ZAFHQNZFXQXFEF-UHFFFAOYSA-N 0 3 350.404 1.987 20 5 FDBDHN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000573798858 550213308 /nfs/dbraw/zinc/21/33/08/550213308.db2.gz QTWLZSGYUAWJIE-YHWZYXNKSA-N 0 3 369.381 1.738 20 5 FDBDHN CS(=O)(=O)CC1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000574033313 550249321 /nfs/dbraw/zinc/24/93/21/550249321.db2.gz LNZMMQSMDLRHSS-CQSZACIVSA-N 0 3 372.443 1.139 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000574512188 550326312 /nfs/dbraw/zinc/32/63/12/550326312.db2.gz IHXKWOBTDHHOJD-CYBMUJFWSA-N 0 3 374.319 1.840 20 5 FDBDHN COCCN(C)C[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578335774 550753250 /nfs/dbraw/zinc/75/32/50/550753250.db2.gz QTAXQYTXQGLEDG-SJLPKXTDSA-N 0 3 351.447 1.713 20 5 FDBDHN N[C@H]1C[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCN2C1=O ZINC000578644147 550786520 /nfs/dbraw/zinc/78/65/20/550786520.db2.gz OQBQVQIKJVYZMV-GJZGRUSLSA-N 0 3 373.438 1.462 20 5 FDBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000580545950 550993137 /nfs/dbraw/zinc/99/31/37/550993137.db2.gz BEDALGOZXUSZGH-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000581593955 551108878 /nfs/dbraw/zinc/10/88/78/551108878.db2.gz IQOHSZIBWPFFGT-CQSZACIVSA-N 0 3 360.414 1.032 20 5 FDBDHN COc1ccc2c(c1)OC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000581998216 551160683 /nfs/dbraw/zinc/16/06/83/551160683.db2.gz AGJODRJBLIFWDF-GOEBONIOSA-N 0 3 374.393 1.936 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000583494801 551360615 /nfs/dbraw/zinc/36/06/15/551360615.db2.gz GJXBKVAMMATZIA-ZFWWWQNUSA-N 0 3 350.350 1.795 20 5 FDBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O ZINC000583694139 551388855 /nfs/dbraw/zinc/38/88/55/551388855.db2.gz XFRBAQNGZDKRLW-HZPDHXFCSA-N 0 3 356.444 1.899 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)C(=O)N(C)C ZINC000584277941 551473739 /nfs/dbraw/zinc/47/37/39/551473739.db2.gz PHTIJCOIBMAMRA-UHFFFAOYSA-N 0 3 352.391 1.388 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CCN(C4CCCC4)CC3)cc2n(C)c1=O ZINC000585702833 551584056 /nfs/dbraw/zinc/58/40/56/551584056.db2.gz KQVVUDNZCBFLEL-UHFFFAOYSA-N 0 3 359.430 1.850 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000590400499 551780229 /nfs/dbraw/zinc/78/02/29/551780229.db2.gz WYYXZBANVYZIQG-UHFFFAOYSA-N 0 3 373.457 1.489 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000590537138 551789580 /nfs/dbraw/zinc/78/95/80/551789580.db2.gz BAYJIAQJCZOXTL-QGZVFWFLSA-N 0 3 351.403 1.522 20 5 FDBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000590550871 551791236 /nfs/dbraw/zinc/79/12/36/551791236.db2.gz SSNOGVSGRXKVTA-SJORKVTESA-N 0 3 371.397 1.062 20 5 FDBDHN COC(=O)Cc1ccc(NCCN2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000590692685 551805969 /nfs/dbraw/zinc/80/59/69/551805969.db2.gz HMWNVULVQXHIQH-UHFFFAOYSA-N 0 3 351.403 1.833 20 5 FDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590752972 551812581 /nfs/dbraw/zinc/81/25/81/551812581.db2.gz WYUAUMOJDWBAOS-RTXFEEFZSA-N 0 3 365.386 1.862 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000591012311 551835287 /nfs/dbraw/zinc/83/52/87/551835287.db2.gz PAIDZFBBVXLRCJ-AWEZNQCLSA-N 0 3 360.414 1.847 20 5 FDBDHN CO[C@@H](CN)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000591672140 551895101 /nfs/dbraw/zinc/89/51/01/551895101.db2.gz DCEHGZUVIGXJSY-OCCSQVGLSA-N 0 3 353.375 1.068 20 5 FDBDHN CN(C)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000591758038 551906489 /nfs/dbraw/zinc/90/64/89/551906489.db2.gz PZOCNTMUPJOOTC-HNNXBMFYSA-N 0 3 351.382 1.143 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000592102941 551941947 /nfs/dbraw/zinc/94/19/47/551941947.db2.gz DJZJKMKKQBOFHF-UHFFFAOYSA-N 0 3 361.445 1.142 20 5 FDBDHN COC(=O)[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000592129686 551947348 /nfs/dbraw/zinc/94/73/48/551947348.db2.gz OEJVQOQTZZQZMD-DGCLKSJQSA-N 0 3 363.370 1.634 20 5 FDBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592193957 551956635 /nfs/dbraw/zinc/95/66/35/551956635.db2.gz GCTPPKZACZSUTJ-OCCSQVGLSA-N 0 3 365.386 1.088 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592872940 552037351 /nfs/dbraw/zinc/03/73/51/552037351.db2.gz NGEZGEZMHIASCA-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000592898913 552040739 /nfs/dbraw/zinc/04/07/39/552040739.db2.gz NHDNQWAQPCSARJ-UHFFFAOYSA-N 0 3 359.386 1.408 20 5 FDBDHN O=C([C@@H]1CNCCC1(F)F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592964063 552049876 /nfs/dbraw/zinc/04/98/76/552049876.db2.gz DVERCQDIMOXSJV-JQWIXIFHSA-N 0 3 355.345 1.247 20 5 FDBDHN Nc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593495347 552117530 /nfs/dbraw/zinc/11/75/30/552117530.db2.gz DMMYEUCRTNEMHH-CVEARBPZSA-N 0 3 370.413 1.447 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000593529442 552123991 /nfs/dbraw/zinc/12/39/91/552123991.db2.gz DTGNJZMPYFIUKE-HNNXBMFYSA-N 0 3 351.378 1.646 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)Cc2ccncc2)n1 ZINC000593714638 552180655 /nfs/dbraw/zinc/18/06/55/552180655.db2.gz ZPEMCSGQCIFHMW-UHFFFAOYSA-N 0 3 360.418 1.800 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000593751173 552190315 /nfs/dbraw/zinc/19/03/15/552190315.db2.gz DFNPSLSAGNFNHQ-UHFFFAOYSA-N 0 3 351.378 1.600 20 5 FDBDHN C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594514289 552326997 /nfs/dbraw/zinc/32/69/97/552326997.db2.gz NOTOKDZAHTVYIN-MCIONIFRSA-N 0 3 365.430 1.953 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c1C ZINC000594820828 552398425 /nfs/dbraw/zinc/39/84/25/552398425.db2.gz HXGSNVJGPPOKJL-UHFFFAOYSA-N 0 3 372.491 1.373 20 5 FDBDHN COC1([C@@H](C)[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000595019065 552438092 /nfs/dbraw/zinc/43/80/92/552438092.db2.gz HDFOOPOPCWMONH-GFCCVEGCSA-N 0 3 357.432 1.420 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595119522 552457285 /nfs/dbraw/zinc/45/72/85/552457285.db2.gz DOIZJUSHZNPAIS-ZIAGYGMSSA-N 0 3 362.411 1.414 20 5 FDBDHN COc1cc(CCNC(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OC ZINC000595261447 552507325 /nfs/dbraw/zinc/50/73/25/552507325.db2.gz QLMNVVXJTBIXLR-VXGBXAGGSA-N 0 3 370.381 1.235 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595268277 552508750 /nfs/dbraw/zinc/50/87/50/552508750.db2.gz HGZBJZDJIDKTGG-JTQLQIEISA-N 0 3 360.374 1.418 20 5 FDBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000595554689 552584004 /nfs/dbraw/zinc/58/40/04/552584004.db2.gz PKJJCEPKOYUDDX-GZBFAFLISA-N 0 3 351.403 1.809 20 5 FDBDHN NC(=O)c1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000595596143 552590429 /nfs/dbraw/zinc/59/04/29/552590429.db2.gz KHPQWHRDOWCHDJ-MRXNPFEDSA-N 0 3 363.414 1.351 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617510 552593445 /nfs/dbraw/zinc/59/34/45/552593445.db2.gz VMLZLYNILWRDBK-OAHLLOKOSA-N 0 3 367.402 1.573 20 5 FDBDHN CO[C@@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595660764 552598681 /nfs/dbraw/zinc/59/86/81/552598681.db2.gz WEMVPTYHAVYDNS-KRWDZBQOSA-N 0 3 351.403 1.705 20 5 FDBDHN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684202 552602709 /nfs/dbraw/zinc/60/27/09/552602709.db2.gz LFQZUYRBIVKEIF-ZBFHGGJFSA-N 0 3 350.375 1.138 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000595739380 552609095 /nfs/dbraw/zinc/60/90/95/552609095.db2.gz TXSHQKCDGJDTDV-CAOSSQGBSA-N 0 3 366.418 1.206 20 5 FDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596050638 552649800 /nfs/dbraw/zinc/64/98/00/552649800.db2.gz MICCGSOZSGUTFI-LLVKDONJSA-N 0 3 364.221 1.388 20 5 FDBDHN CCN1CCN(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000596073527 552652685 /nfs/dbraw/zinc/65/26/85/552652685.db2.gz MEONXMRXUAMAJQ-UHFFFAOYSA-N 0 3 363.462 1.782 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596112493 552656272 /nfs/dbraw/zinc/65/62/72/552656272.db2.gz QXWCYTOGNMFGTC-UHFFFAOYSA-N 0 3 353.810 1.388 20 5 FDBDHN Cc1noc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C2=O)c1[N+](=O)[O-] ZINC000596296191 552671720 /nfs/dbraw/zinc/67/17/20/552671720.db2.gz USVXHASLFAVFFA-OKILXGFUSA-N 0 3 370.365 1.508 20 5 FDBDHN CN(CC1CN(C)C1)c1nc(N(C)CC2CN(C)C2)c([N+](=O)[O-])s1 ZINC000596453423 552680674 /nfs/dbraw/zinc/68/06/74/552680674.db2.gz ISACVCFCLNMORY-UHFFFAOYSA-N 0 3 354.480 1.047 20 5 FDBDHN COc1cc(OCC(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859349 552841602 /nfs/dbraw/zinc/84/16/02/552841602.db2.gz VBZSYVVMJPUSNQ-LBPRGKRZSA-N 0 3 351.403 1.971 20 5 FDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597921772 552846231 /nfs/dbraw/zinc/84/62/31/552846231.db2.gz AMNCUKUOGXHRBQ-GFCCVEGCSA-N 0 3 351.403 1.971 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598193559 552874848 /nfs/dbraw/zinc/87/48/48/552874848.db2.gz CJCLPOLDZRCZLI-KRWDZBQOSA-N 0 3 371.441 1.957 20 5 FDBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000598591137 552912470 /nfs/dbraw/zinc/91/24/70/552912470.db2.gz UFSSLYUNCVVZGQ-ZIAGYGMSSA-N 0 3 364.450 1.754 20 5 FDBDHN CCCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000598905173 552942879 /nfs/dbraw/zinc/94/28/79/552942879.db2.gz BKIJEDLIOBZLKP-HNNXBMFYSA-N 0 3 363.418 1.659 20 5 FDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598992198 552955016 /nfs/dbraw/zinc/95/50/16/552955016.db2.gz XZRJHIKHMCFKIA-QTLSWZBMSA-N 0 3 365.397 1.914 20 5 FDBDHN CN1C2(CCC2)COC[C@@]1(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599063205 552963997 /nfs/dbraw/zinc/96/39/97/552963997.db2.gz ZEYRJLJOPRGUHH-LPHOPBHVSA-N 0 3 361.442 1.788 20 5 FDBDHN CN1CCCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599415374 553051982 /nfs/dbraw/zinc/05/19/82/553051982.db2.gz NUXQTYCVSBSRTK-CQSZACIVSA-N 0 3 355.460 1.789 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599561592 553086759 /nfs/dbraw/zinc/08/67/59/553086759.db2.gz BVGYJHFKPCLEOU-INIZCTEOSA-N 0 3 351.359 1.187 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574825 553092664 /nfs/dbraw/zinc/09/26/64/553092664.db2.gz DHBPIDDKGHNPJY-LBPRGKRZSA-N 0 3 358.402 1.992 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000600746012 553310221 /nfs/dbraw/zinc/31/02/21/553310221.db2.gz JWPPHZQXMXINRH-TZMCWYRMSA-N 0 3 374.319 1.924 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](O)CN1CCCCC1 ZINC000601104955 553347988 /nfs/dbraw/zinc/34/79/88/553347988.db2.gz OBILFCNCBFINDS-SECBINFHSA-N 0 3 351.329 1.606 20 5 FDBDHN Cn1cc([C@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000602674936 553621747 /nfs/dbraw/zinc/62/17/47/553621747.db2.gz IFEQDUHFNTXART-OAHLLOKOSA-N 0 3 360.418 1.458 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)n1 ZINC000603145978 553715363 /nfs/dbraw/zinc/71/53/63/553715363.db2.gz PAUSGPDKLQFLMI-OCCSQVGLSA-N 0 3 358.320 1.915 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045831 554334859 /nfs/dbraw/zinc/33/48/59/554334859.db2.gz QYFLEJZJWJSNQT-CQSZACIVSA-N 0 3 364.446 1.288 20 5 FDBDHN CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000609509323 554385214 /nfs/dbraw/zinc/38/52/14/554385214.db2.gz PQOWILCJBBZHKG-CQSZACIVSA-N 0 3 356.386 1.484 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609530419 554387840 /nfs/dbraw/zinc/38/78/40/554387840.db2.gz QFCGVTJXKPCFLZ-HNNXBMFYSA-N 0 3 358.402 1.780 20 5 FDBDHN CNc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000609664581 554408923 /nfs/dbraw/zinc/40/89/23/554408923.db2.gz AHFYYNJRZWZCEG-OAHLLOKOSA-N 0 3 361.446 1.489 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CCN1CCCC1)c1ccccc1 ZINC000610052953 554452247 /nfs/dbraw/zinc/45/22/47/554452247.db2.gz XXGJMXKYCFGYBE-UHFFFAOYSA-N 0 3 370.409 1.886 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197395 554614521 /nfs/dbraw/zinc/61/45/21/554614521.db2.gz AJXJNLMVNKVWJM-UHFFFAOYSA-N 0 3 373.413 1.695 20 5 FDBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611210532 554615777 /nfs/dbraw/zinc/61/57/77/554615777.db2.gz YIHCADDBARSUMU-SFHVURJKSA-N 0 3 374.441 1.355 20 5 FDBDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000611320575 554625102 /nfs/dbraw/zinc/62/51/02/554625102.db2.gz OCIHFKAHFYSYBV-GXTWGEPZSA-N 0 3 354.407 1.063 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938051 554705971 /nfs/dbraw/zinc/70/59/71/554705971.db2.gz HJEMYLQLSIWOQD-MOPGFXCFSA-N 0 3 373.457 1.969 20 5 FDBDHN CN1CCC(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000612428496 554776802 /nfs/dbraw/zinc/77/68/02/554776802.db2.gz WAGSSUNYMYYFJD-UHFFFAOYSA-N 0 3 374.441 1.611 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(N3CCCC3)CCOCC2)n1 ZINC000617405048 555432370 /nfs/dbraw/zinc/43/23/70/555432370.db2.gz XTMPUZHOUCAWLI-UHFFFAOYSA-N 0 3 351.407 1.186 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000619475994 555783515 /nfs/dbraw/zinc/78/35/15/555783515.db2.gz PUNRHNKVMHKEDO-LLVKDONJSA-N 0 3 355.416 1.366 20 5 FDBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481708743 568091353 /nfs/dbraw/zinc/09/13/53/568091353.db2.gz BUZJGGHDWVRHRK-HNNXBMFYSA-N 0 3 373.413 1.904 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193907251 672375417 /nfs/dbraw/zinc/37/54/17/672375417.db2.gz XXNSPIDEQHTXST-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CC(C)(C)OC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266565703 673148666 /nfs/dbraw/zinc/14/86/66/673148666.db2.gz ZMXQWBHXTQSJMY-AWEZNQCLSA-N 0 3 354.407 1.206 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281680183 675544268 /nfs/dbraw/zinc/54/42/68/675544268.db2.gz YGVTYBSAWIBLCY-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000364657818 677039972 /nfs/dbraw/zinc/03/99/72/677039972.db2.gz RPVYVHDTQGBQKU-CYBMUJFWSA-N 0 3 364.475 1.768 20 5 FDBDHN COC(=O)CN1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370235239 677555204 /nfs/dbraw/zinc/55/52/04/677555204.db2.gz DUZJZURZVVFUPT-UHFFFAOYSA-N 0 3 351.403 1.544 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1CCO ZINC000411316102 679015080 /nfs/dbraw/zinc/01/50/80/679015080.db2.gz KORTUVGLHZGZRM-CYBMUJFWSA-N 0 3 369.443 1.732 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1F ZINC000412184559 679163098 /nfs/dbraw/zinc/16/30/98/679163098.db2.gz OGMSFGIMKKYISZ-GXFFZTMASA-N 0 3 351.378 1.884 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701379 679481623 /nfs/dbraw/zinc/48/16/23/679481623.db2.gz ODVYHSCDGMIEFS-LLVKDONJSA-N 0 3 359.180 1.467 20 5 FDBDHN CCN(CC)CC[C@H](CO)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000439122870 681908012 /nfs/dbraw/zinc/90/80/12/681908012.db2.gz ZNOANHPCPBPEAU-GFCCVEGCSA-N 0 3 359.448 1.503 20 5 FDBDHN CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2cnccc21 ZINC000439879924 681951606 /nfs/dbraw/zinc/95/16/06/681951606.db2.gz HZYXEBUMASLHLK-UHFFFAOYSA-N 0 3 352.347 1.774 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000440846141 682033006 /nfs/dbraw/zinc/03/30/06/682033006.db2.gz KVMKAFLVJWMLNL-QMMMGPOBSA-N 0 3 353.322 1.501 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000442900582 682190455 /nfs/dbraw/zinc/19/04/55/682190455.db2.gz NFDCQMCDDYZSFY-UHFFFAOYSA-N 0 3 352.410 1.419 20 5 FDBDHN CCOC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451135887 682826265 /nfs/dbraw/zinc/82/62/65/682826265.db2.gz MZGMJJXSCBBGLT-HNNXBMFYSA-N 0 3 350.371 1.485 20 5 FDBDHN COC1([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453200561 683154900 /nfs/dbraw/zinc/15/49/00/683154900.db2.gz ZTKOOERRDJJBTH-ZDUSSCGKSA-N 0 3 372.443 1.542 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000459479811 684412459 /nfs/dbraw/zinc/41/24/59/684412459.db2.gz OMPPOGIBHODOIE-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN COc1ccc(NC(=O)N2CCCN([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000470418228 685029454 /nfs/dbraw/zinc/02/94/54/685029454.db2.gz KHDJHYNHQBZZOW-LBPRGKRZSA-N 0 3 352.391 1.524 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1CCN(C)C ZINC000488659185 687052334 /nfs/dbraw/zinc/05/23/34/687052334.db2.gz QEKNEMHATHOQSG-UHFFFAOYSA-N 0 3 365.419 1.182 20 5 FDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000500462105 688085576 /nfs/dbraw/zinc/08/55/76/688085576.db2.gz PUUBGTWVORFYRR-CMPLNLGQSA-N 0 3 373.431 1.117 20 5 FDBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510811261 689424749 /nfs/dbraw/zinc/42/47/49/689424749.db2.gz OPIDOHFMQUEPSK-OLZOCXBDSA-N 0 3 357.432 1.553 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC23CCOCC3)cc1 ZINC000514876128 689782075 /nfs/dbraw/zinc/78/20/75/689782075.db2.gz HLFDFSOWWKAVJC-HNNXBMFYSA-N 0 3 354.428 1.917 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000522415690 694482448 /nfs/dbraw/zinc/48/24/48/694482448.db2.gz KVCRBVJESAAGDA-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CS[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000537925857 694910154 /nfs/dbraw/zinc/91/01/54/694910154.db2.gz XPSNULHLRKELIZ-ZFWWWQNUSA-N 0 3 353.444 1.868 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766451 721077681 /nfs/dbraw/zinc/07/76/81/721077681.db2.gz KHLSLIYFNMNLKG-HZPDHXFCSA-N 0 3 356.430 1.990 20 5 FDBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(N)n4)C[C@@H]3C2)cn1 ZINC001164773222 721156889 /nfs/dbraw/zinc/15/68/89/721156889.db2.gz XGRCOPGAYUMORE-KBPBESRZSA-N 0 3 357.418 1.264 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(C2CCOCC2)CC1 ZINC000177171379 785148396 /nfs/dbraw/zinc/14/83/96/785148396.db2.gz YWYLJJQNLSQMBU-UHFFFAOYSA-N 0 3 362.386 1.257 20 5 FDBDHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000892819870 791334113 /nfs/dbraw/zinc/33/41/13/791334113.db2.gz SYVVNESPYQJGMF-QLFBSQMISA-N 0 3 362.430 1.861 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000377725694 792651032 /nfs/dbraw/zinc/65/10/32/792651032.db2.gz RFQWZMMLBDROJD-UONOGXRCSA-N 0 3 365.434 1.980 20 5 FDBDHN COc1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)ccn1 ZINC000981764764 808450299 /nfs/dbraw/zinc/45/02/99/808450299.db2.gz CAOJCEUAGWWPGO-HUUCEWRRSA-N 0 3 360.414 1.180 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000425057874 815510398 /nfs/dbraw/zinc/51/03/98/815510398.db2.gz NKQDINJBDURZGG-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000501481424 813423816 /nfs/dbraw/zinc/42/38/16/813423816.db2.gz POPVKKUGPAVMCV-UHFFFAOYSA-N 0 3 360.374 1.449 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)[C@H]2C1 ZINC000502558635 814128272 /nfs/dbraw/zinc/12/82/72/814128272.db2.gz CQGZQCXOSJHEPC-LSDHHAIUSA-N 0 3 365.434 1.120 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000502835936 814286945 /nfs/dbraw/zinc/28/69/45/814286945.db2.gz KBZBHLONMMQLSW-CYZMBNFOSA-N 0 3 364.402 1.435 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000421787769 814313349 /nfs/dbraw/zinc/31/33/49/814313349.db2.gz VGZXXSYXPIHSPN-MRXNPFEDSA-N 0 3 374.441 1.590 20 5 FDBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)CCN2C1=O ZINC000518397367 817858748 /nfs/dbraw/zinc/85/87/48/817858748.db2.gz GMZYXCSNSSDJGU-KBXCAEBGSA-N 0 3 360.417 1.772 20 5 FDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729507663 820079863 /nfs/dbraw/zinc/07/98/63/820079863.db2.gz ZHOMVNDALGFKSC-ZIAGYGMSSA-N 0 3 363.418 1.169 20 5 FDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000507881082 820773489 /nfs/dbraw/zinc/77/34/89/820773489.db2.gz PYRFWZWSHHCJEB-AWEZNQCLSA-N 0 3 372.429 1.549 20 5 FDBDHN CC(C)(O)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448926410 829301719 /nfs/dbraw/zinc/30/17/19/829301719.db2.gz UWDDJHXJCXKVOM-UHFFFAOYSA-N 0 3 373.413 1.514 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891014 830168941 /nfs/dbraw/zinc/16/89/41/830168941.db2.gz IVVYUQNEUVXDDM-HNNXBMFYSA-N 0 3 369.425 1.934 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000531006905 830519403 /nfs/dbraw/zinc/51/94/03/830519403.db2.gz KRXGPDXYSRJOEJ-KGLIPLIRSA-N 0 3 374.445 1.447 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCCN1CCO ZINC000452382069 830628593 /nfs/dbraw/zinc/62/85/93/830628593.db2.gz XCVICOBGGPOWMK-OAHLLOKOSA-N 0 3 360.414 1.582 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000452782403 830779227 /nfs/dbraw/zinc/77/92/27/830779227.db2.gz JDTGANASZALUGF-OAHLLOKOSA-N 0 3 373.413 1.562 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000452796814 830782411 /nfs/dbraw/zinc/78/24/11/830782411.db2.gz LSNIHBTYDMGXEO-HNNXBMFYSA-N 0 3 365.430 1.635 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000841525472 832301300 /nfs/dbraw/zinc/30/13/00/832301300.db2.gz XITRWYBKCAHIOA-NSHDSACASA-N 0 3 372.403 1.350 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000476148798 839985265 /nfs/dbraw/zinc/98/52/65/839985265.db2.gz KEKMUSFSFPXPRU-HNNXBMFYSA-N 0 3 366.418 1.513 20 5 FDBDHN COc1cc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000907553084 854351847 /nfs/dbraw/zinc/35/18/47/854351847.db2.gz ARCOYNLMLDWVEP-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249391247 858898192 /nfs/dbraw/zinc/89/81/92/858898192.db2.gz QWPCVUALWHVBIV-HUUCEWRRSA-N 0 3 367.446 1.112 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)CCO ZINC000912608461 859951182 /nfs/dbraw/zinc/95/11/82/859951182.db2.gz IEWGXBXOLVDTSL-LLVKDONJSA-N 0 3 359.810 1.398 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916662340 881996938 /nfs/dbraw/zinc/99/69/38/881996938.db2.gz ULLNHANXQHGTOS-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916666113 882022221 /nfs/dbraw/zinc/02/22/21/882022221.db2.gz DGKJVPDECKMHEC-MNOVXSKESA-N 0 3 359.835 1.820 20 5 FDBDHN C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1=CCN(C)CC1 ZINC000272742987 881207204 /nfs/dbraw/zinc/20/72/04/881207204.db2.gz NASCNAJFNBBIKH-LBPRGKRZSA-N 0 3 356.386 1.556 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000497857915 883785656 /nfs/dbraw/zinc/78/56/56/883785656.db2.gz INTBSTNYHUBFFA-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN CCC/C=C\CCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167926 903570566 /nfs/dbraw/zinc/57/05/66/903570566.db2.gz MURSNCBQNXEDCX-KSLSASGISA-N 0 3 362.434 1.163 20 5 FDBDHN CC(C)(C)c1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997773922 909674521 /nfs/dbraw/zinc/67/45/21/909674521.db2.gz ZBMCEOVTYUDNQP-CHWSQXEVSA-N 0 3 365.434 1.361 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727860149 911400374 /nfs/dbraw/zinc/40/03/74/911400374.db2.gz TXPQVVQGIZJNRL-HNNXBMFYSA-N 0 3 361.402 1.172 20 5 FDBDHN Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc12 ZINC001086083228 925918724 /nfs/dbraw/zinc/91/87/24/925918724.db2.gz RLVMOVJMMLOCNT-IARIHHJXSA-N 0 3 369.425 1.588 20 5 FDBDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000743979872 926535000 /nfs/dbraw/zinc/53/50/00/926535000.db2.gz IILNFIQJDXYWBY-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN CN(C)C(=O)c1cccnc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036103 928232701 /nfs/dbraw/zinc/23/27/01/928232701.db2.gz FJEPRZVVBYMWHE-HUUCEWRRSA-N 0 3 361.446 1.351 20 5 FDBDHN COc1cc(OC)nc(CN2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169023196 928247114 /nfs/dbraw/zinc/24/71/14/928247114.db2.gz DKMSWZUXCMZVPH-ZIAGYGMSSA-N 0 3 365.434 1.057 20 5 FDBDHN O=C(OCCN1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000770371839 929976910 /nfs/dbraw/zinc/97/69/10/929976910.db2.gz CGYBNFHFOCRXDW-CYBMUJFWSA-N 0 3 365.386 1.822 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785797127 931624628 /nfs/dbraw/zinc/62/46/28/931624628.db2.gz UIMLLUDZINROJF-LSDHHAIUSA-N 0 3 360.414 1.762 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804557440 938468891 /nfs/dbraw/zinc/46/88/91/938468891.db2.gz FSPXGJONYUIRSB-AWEZNQCLSA-N 0 3 352.822 1.991 20 5 FDBDHN COCCOCCOCCOCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170474156 938638504 /nfs/dbraw/zinc/63/85/04/938638504.db2.gz ULJILFQGWRFNOS-UHFFFAOYSA-N 0 3 369.418 1.306 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000808173860 940528216 /nfs/dbraw/zinc/52/82/16/940528216.db2.gz BSOAJBOXOCZQRI-MRVPVSSYSA-N 0 3 364.171 1.149 20 5 FDBDHN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105213 941333685 /nfs/dbraw/zinc/33/36/85/941333685.db2.gz KNAQKEGZASOVFC-UWVGGRQHSA-N 0 3 356.762 1.910 20 5 FDBDHN CSC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000813110640 941335152 /nfs/dbraw/zinc/33/51/52/941335152.db2.gz GEJSGYVVBCPNIC-IRCOFANPSA-N 0 3 358.416 1.102 20 5 FDBDHN CC(COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813111523 941335195 /nfs/dbraw/zinc/33/51/95/941335195.db2.gz UHHHVBORBCZIMS-IUCAKERBSA-N 0 3 350.780 1.215 20 5 FDBDHN CC(COC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110372 941335322 /nfs/dbraw/zinc/33/53/22/941335322.db2.gz YYYIYGJSGJGTJW-XJKSGUPXSA-N 0 3 357.366 1.631 20 5 FDBDHN CC(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813114328 941336516 /nfs/dbraw/zinc/33/65/16/941336516.db2.gz PURQSXCKHCITDK-JTQLQIEISA-N 0 3 362.429 1.745 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000817402475 942763057 /nfs/dbraw/zinc/76/30/57/942763057.db2.gz UOIPQHOQYJFAPK-LLVKDONJSA-N 0 3 354.794 1.739 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(N3CCOCC3)nc2)cc1 ZINC000818944592 943355521 /nfs/dbraw/zinc/35/55/21/943355521.db2.gz NBBVJWASENMHNJ-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN Cn1ccnc1CN1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819221158 943493019 /nfs/dbraw/zinc/49/30/19/943493019.db2.gz BRCBFHPACBCNLV-JKSUJKDBSA-N 0 3 373.413 1.143 20 5 FDBDHN O=C1[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1cccnc1 ZINC000819224450 943496505 /nfs/dbraw/zinc/49/65/05/943496505.db2.gz FNQISPYZVLUOHV-SJORKVTESA-N 0 3 356.382 1.808 20 5 FDBDHN CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821100387 945635461 /nfs/dbraw/zinc/63/54/61/945635461.db2.gz ZSZRBJXTONRGSP-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821100387 945635465 /nfs/dbraw/zinc/63/54/65/945635465.db2.gz ZSZRBJXTONRGSP-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000823565885 945851506 /nfs/dbraw/zinc/85/15/06/945851506.db2.gz CXYOKXLZGLEDFQ-NSHDSACASA-N 0 3 366.443 1.509 20 5 FDBDHN CN(C)CCN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1=O ZINC000856768408 971388131 /nfs/dbraw/zinc/38/81/31/971388131.db2.gz IERNSDZRDUHARL-UHFFFAOYSA-N 0 3 371.235 1.568 20 5 FDBDHN O=[N+]([O-])c1ccnn1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000844726102 948334156 /nfs/dbraw/zinc/33/41/56/948334156.db2.gz AGTMFOKNYGPKRP-DLBZAZTESA-N 0 3 357.414 1.724 20 5 FDBDHN C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001144209102 948381960 /nfs/dbraw/zinc/38/19/60/948381960.db2.gz BWVULZMFKRFYLM-NSHDSACASA-N 0 3 369.853 1.444 20 5 FDBDHN COCCN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845875486 950045365 /nfs/dbraw/zinc/04/53/65/950045365.db2.gz MUFLTXAUVOQTLR-HSMVNMDESA-N 0 3 368.361 1.570 20 5 FDBDHN C[NH+]1CCC(O[N-]C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000846649961 951415391 /nfs/dbraw/zinc/41/53/91/951415391.db2.gz PUTLUFAVNNNCME-UHFFFAOYSA-N 0 3 359.180 1.508 20 5 FDBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC001197844569 972468898 /nfs/dbraw/zinc/46/88/98/972468898.db2.gz JCCOKKODCCYOLB-XJKSGUPXSA-N 0 3 372.443 1.400 20 5 FDBDHN CO[C@@H]1CC[C@H](N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852184195 967066978 /nfs/dbraw/zinc/06/69/78/967066978.db2.gz IARSDEJWQZAFHR-UONOGXRCSA-N 0 3 357.432 1.372 20 5 FDBDHN O=C(C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000776579277 967174430 /nfs/dbraw/zinc/17/44/30/967174430.db2.gz MBBYAWGNOLAQQN-KRWDZBQOSA-N 0 3 363.414 1.199 20 5 FDBDHN COC(=O)c1cccc(OCC(=N)NOCc2onc(C)c2[N+](=O)[O-])c1 ZINC000853673232 968240113 /nfs/dbraw/zinc/24/01/13/968240113.db2.gz SSUHXYLPWMFURA-UHFFFAOYSA-N 0 3 364.314 1.755 20 5 FDBDHN CCN(Cc1cscn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713317 1013854069 /nfs/dbraw/zinc/85/40/69/1013854069.db2.gz XGWWWKCWWILRRG-HUUCEWRRSA-N 0 3 352.460 1.869 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000112917044 970091532 /nfs/dbraw/zinc/09/15/32/970091532.db2.gz PVBWPIMEXZOCMX-AWEZNQCLSA-N 0 3 363.462 1.417 20 5 FDBDHN C[C@@H]1C[C@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CN1C1CC1 ZINC000863506313 972974858 /nfs/dbraw/zinc/97/48/58/972974858.db2.gz FMKMESYMOZWPOA-DJCROIMJSA-N 0 3 358.398 1.987 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104531829 973244921 /nfs/dbraw/zinc/24/49/21/973244921.db2.gz QGZPAIRAHROVOR-OAHLLOKOSA-N 0 3 366.374 1.686 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000867515636 976286712 /nfs/dbraw/zinc/28/67/12/976286712.db2.gz NHYLVEGFLMGJIF-CABCVRRESA-N 0 3 360.414 1.215 20 5 FDBDHN CC([C@@H](OC(=O)CN1CCN(C2CC2)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000851108596 978786598 /nfs/dbraw/zinc/78/65/98/978786598.db2.gz OQIFSYSWNQENMI-BDJLRTHQSA-N 0 3 365.361 1.975 20 5 FDBDHN CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968143472 1014694633 /nfs/dbraw/zinc/69/46/33/1014694633.db2.gz GPRFYOFIHFVZQT-UKRRQHHQSA-N 0 3 371.397 1.209 20 5 FDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000861344150 983695412 /nfs/dbraw/zinc/69/54/12/983695412.db2.gz NDPVVDDXTLMRIX-CZUORRHYSA-N 0 3 354.407 1.451 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000872222425 987524036 /nfs/dbraw/zinc/52/40/36/987524036.db2.gz UROAAGJWJVXIBN-URLAMEQQSA-N 0 3 352.412 1.382 20 5 FDBDHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599836247 988748602 /nfs/dbraw/zinc/74/86/02/988748602.db2.gz WMTUTKQSTFGIQL-LBPRGKRZSA-N 0 3 366.418 1.295 20 5 FDBDHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599836247 988748608 /nfs/dbraw/zinc/74/86/08/988748608.db2.gz WMTUTKQSTFGIQL-LBPRGKRZSA-N 0 3 366.418 1.295 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370061568 989423852 /nfs/dbraw/zinc/42/38/52/989423852.db2.gz USKSVRXYABNRMO-UHFFFAOYSA-N 0 3 362.346 1.198 20 5 FDBDHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364142579 989501306 /nfs/dbraw/zinc/50/13/06/989501306.db2.gz FQCYNBXTAQQEOY-HOTGVXAUSA-N 0 3 362.430 1.992 20 5 FDBDHN Cc1c(CN2CCN(CCN3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000364329466 989539073 /nfs/dbraw/zinc/53/90/73/989539073.db2.gz RJVZNYDGDLCKAO-UHFFFAOYSA-N 0 3 362.474 1.743 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825721998 990062252 /nfs/dbraw/zinc/06/22/52/990062252.db2.gz RTZAXWQQVMTFTG-CVEARBPZSA-N 0 3 351.403 1.197 20 5 FDBDHN CN(C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])nc1 ZINC000875655347 991871074 /nfs/dbraw/zinc/87/10/74/991871074.db2.gz DNUJNTDJIALNLC-CABCVRRESA-N 0 3 358.402 1.422 20 5 FDBDHN O=[N+]([O-])c1ccc2ccnc(NCCCCN3CCN(CCO)CC3)c2c1 ZINC000413139708 993115667 /nfs/dbraw/zinc/11/56/67/993115667.db2.gz KMLBSKLAYONWKT-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877343491 993230182 /nfs/dbraw/zinc/23/01/82/993230182.db2.gz ZDNIDKQDMXRTTH-INIZCTEOSA-N 0 3 355.394 1.977 20 5 FDBDHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825977119 993322921 /nfs/dbraw/zinc/32/29/21/993322921.db2.gz XREMNPRYBIQWRH-MRXNPFEDSA-N 0 3 354.370 1.940 20 5 FDBDHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825977119 993322926 /nfs/dbraw/zinc/32/29/26/993322926.db2.gz XREMNPRYBIQWRH-MRXNPFEDSA-N 0 3 354.370 1.940 20 5 FDBDHN C[C@@](CO)(NC[C@@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000879272644 994725050 /nfs/dbraw/zinc/72/50/50/994725050.db2.gz PENUTYAINVYFKB-IRXDYDNUSA-N 0 3 350.415 1.978 20 5 FDBDHN C[C@@](CO)(NC[C@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000879272646 994726343 /nfs/dbraw/zinc/72/63/43/994726343.db2.gz PENUTYAINVYFKB-SJORKVTESA-N 0 3 350.415 1.978 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000887403136 997239311 /nfs/dbraw/zinc/23/93/11/997239311.db2.gz PHSLMEYCGLQQFE-ZIAGYGMSSA-N 0 3 362.430 1.225 20 5 FDBDHN Cc1c(NC(=O)CCN2CC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000270883673 999628809 /nfs/dbraw/zinc/62/88/09/999628809.db2.gz KKGOYTVRWBVKNN-AWEZNQCLSA-N 0 3 360.414 1.929 20 5 FDBDHN NC(=O)[C@]1(O)CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000285705903 999919422 /nfs/dbraw/zinc/91/94/22/999919422.db2.gz BRBODVYQLYAANE-FQEVSTJZSA-N 0 3 352.390 1.758 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000936005247 1006228800 /nfs/dbraw/zinc/22/88/00/1006228800.db2.gz JSVRUYWLIFXESO-CJNGLKHVSA-N 0 3 357.414 1.879 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190983905 178034427 /nfs/dbraw/zinc/03/44/27/178034427.db2.gz NSELHEFIQYENPD-MRXNPFEDSA-N 0 3 373.413 1.199 20 5 FDBDHN CCCC[C@H](CN)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000236738513 178281098 /nfs/dbraw/zinc/28/10/98/178281098.db2.gz IPZVMMXFBSYWML-CYBMUJFWSA-N 0 3 373.413 1.696 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000513117472 538986058 /nfs/dbraw/zinc/98/60/58/538986058.db2.gz CSWRAWZMZFRFQY-MNOVXSKESA-N 0 3 352.391 1.248 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264016956 179014456 /nfs/dbraw/zinc/01/44/56/179014456.db2.gz NFCBCMXBAIMWKD-LBPRGKRZSA-N 0 3 352.464 1.990 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264639384 179155081 /nfs/dbraw/zinc/15/50/81/179155081.db2.gz PYJNLYRGJIABDJ-UHFFFAOYSA-N 0 3 363.462 1.493 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264676346 179163962 /nfs/dbraw/zinc/16/39/62/179163962.db2.gz ZZVMLOGNUARALI-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000546881347 542249312 /nfs/dbraw/zinc/24/93/12/542249312.db2.gz RTFDXKQHIQRFHZ-UHFFFAOYSA-N 0 3 369.443 1.518 20 5 FDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000265280992 179329549 /nfs/dbraw/zinc/32/95/49/179329549.db2.gz XFSLRHAPBMVEBQ-LLVKDONJSA-N 0 3 371.415 1.081 20 5 FDBDHN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000269085205 180212258 /nfs/dbraw/zinc/21/22/58/180212258.db2.gz FEUWGTXYZUMEJT-INIZCTEOSA-N 0 3 372.429 1.707 20 5 FDBDHN CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269287798 180264831 /nfs/dbraw/zinc/26/48/31/180264831.db2.gz OJSPYRAIPUKWTI-UHFFFAOYSA-N 0 3 350.419 1.398 20 5 FDBDHN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269287798 180264833 /nfs/dbraw/zinc/26/48/33/180264833.db2.gz OJSPYRAIPUKWTI-UHFFFAOYSA-N 0 3 350.419 1.398 20 5 FDBDHN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269287798 180264836 /nfs/dbraw/zinc/26/48/36/180264836.db2.gz OJSPYRAIPUKWTI-UHFFFAOYSA-N 0 3 350.419 1.398 20 5 FDBDHN CN1CC=C(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000271886829 180660272 /nfs/dbraw/zinc/66/02/72/180660272.db2.gz DEAZAIHHSDBTQC-UHFFFAOYSA-N 0 3 364.427 1.164 20 5 FDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1N1CCCC1 ZINC000274695014 181147884 /nfs/dbraw/zinc/14/78/84/181147884.db2.gz RXYLPACUJMVJHU-QWHCGFSZSA-N 0 3 351.432 1.105 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCn4cncn4)CC3)nc2c1 ZINC000274798747 181167307 /nfs/dbraw/zinc/16/73/07/181167307.db2.gz DUQHXTXIMNETND-UHFFFAOYSA-N 0 3 356.390 1.275 20 5 FDBDHN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCCN(C)C ZINC000532392347 540159037 /nfs/dbraw/zinc/15/90/37/540159037.db2.gz HCWDSEGDEUMXCS-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534984947 540434235 /nfs/dbraw/zinc/43/42/35/540434235.db2.gz OSHHPSYVIHURLD-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN COc1cc(CN2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000934264642 781937681 /nfs/dbraw/zinc/93/76/81/781937681.db2.gz ICNWPFZPLFZDIE-GJZGRUSLSA-N 0 3 353.394 1.774 20 5 FDBDHN CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275503910 181335938 /nfs/dbraw/zinc/33/59/38/181335938.db2.gz SUTFGYWPQOANPU-GJZGRUSLSA-N 0 3 350.444 1.710 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665509 541444476 /nfs/dbraw/zinc/44/44/76/541444476.db2.gz MQEIHUQDFVVHQQ-WBMJQRKESA-N 0 3 353.444 1.441 20 5 FDBDHN O=C([C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287392858 183280396 /nfs/dbraw/zinc/28/03/96/183280396.db2.gz NNWBLOBQFYYLNU-GOEBONIOSA-N 0 3 363.414 1.279 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1N(C)C ZINC000294802591 184009921 /nfs/dbraw/zinc/00/99/21/184009921.db2.gz CGWGTDSVHWPDKM-GJZGRUSLSA-N 0 3 370.450 1.918 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295440788 184071566 /nfs/dbraw/zinc/07/15/66/184071566.db2.gz XEGPMEGYYWOTHA-INIZCTEOSA-N 0 3 370.450 1.967 20 5 FDBDHN COc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000296367076 184158802 /nfs/dbraw/zinc/15/88/02/184158802.db2.gz SJPQOFSJOVTHFD-UHFFFAOYSA-N 0 3 368.409 1.498 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000297361933 184262287 /nfs/dbraw/zinc/26/22/87/184262287.db2.gz LPHQVCBLFMBMGV-OAHLLOKOSA-N 0 3 350.419 1.283 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C1CC1 ZINC000297738953 184319947 /nfs/dbraw/zinc/31/99/47/184319947.db2.gz CJTDYIIPDFENJI-SECBINFHSA-N 0 3 354.794 1.786 20 5 FDBDHN Cc1c(Br)c(=O)n(CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000547821484 542458257 /nfs/dbraw/zinc/45/82/57/542458257.db2.gz XLGXAONPPCFNRU-UHFFFAOYSA-N 0 3 373.251 1.465 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000152893012 258263175 /nfs/dbraw/zinc/26/31/75/258263175.db2.gz HSVFZFCJVKQQDL-ZBFHGGJFSA-N 0 3 353.444 1.841 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969249 258271268 /nfs/dbraw/zinc/27/12/68/258271268.db2.gz VYTKMJIBTZLUFU-GFCCVEGCSA-N 0 3 351.407 1.065 20 5 FDBDHN CCc1n[n-]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969249 258271269 /nfs/dbraw/zinc/27/12/69/258271269.db2.gz VYTKMJIBTZLUFU-GFCCVEGCSA-N 0 3 351.407 1.065 20 5 FDBDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548741302 542768943 /nfs/dbraw/zinc/76/89/43/542768943.db2.gz JOXRMUQVZRWASP-GFCCVEGCSA-N 0 3 367.406 1.198 20 5 FDBDHN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000550115641 543010854 /nfs/dbraw/zinc/01/08/54/543010854.db2.gz LIINEQMINIVEAM-CQSZACIVSA-N 0 3 362.430 1.244 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(C)CCCO1 ZINC000551012924 543215603 /nfs/dbraw/zinc/21/56/03/543215603.db2.gz CEVVHKQHVPDOCV-SWLSCSKDSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000068862269 172023661 /nfs/dbraw/zinc/02/36/61/172023661.db2.gz JFDVYCNLMYMPBX-ZDUSSCGKSA-N 0 3 351.403 1.973 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000074357662 172078971 /nfs/dbraw/zinc/07/89/71/172078971.db2.gz ZQDCRBKXCFVYOW-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075586336 172093382 /nfs/dbraw/zinc/09/33/82/172093382.db2.gz BKIDHIWJOVNEBN-KRWDZBQOSA-N 0 3 359.430 1.884 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090539025 172266611 /nfs/dbraw/zinc/26/66/11/172266611.db2.gz SQJYECWDVVCGPF-GFCCVEGCSA-N 0 3 367.431 1.392 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000127538979 173081369 /nfs/dbraw/zinc/08/13/69/173081369.db2.gz FTYZXFJPQMIXBW-GZBFAFLISA-N 0 3 362.430 1.654 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000131395253 173200998 /nfs/dbraw/zinc/20/09/98/173200998.db2.gz KUUPXFAKYKXBKW-OAHLLOKOSA-N 0 3 373.413 1.650 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000151006619 173387912 /nfs/dbraw/zinc/38/79/12/173387912.db2.gz DQDQCOAGOHYYDW-INIZCTEOSA-N 0 3 372.429 1.755 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000175822519 174030353 /nfs/dbraw/zinc/03/03/53/174030353.db2.gz DXEQUCMNHIRLHP-AEGPPILISA-N 0 3 366.443 1.802 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177160374 174110408 /nfs/dbraw/zinc/11/04/08/174110408.db2.gz WISXIGIIXAAYAD-WCQYABFASA-N 0 3 356.386 1.531 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])ccn1 ZINC000181275477 174214492 /nfs/dbraw/zinc/21/44/92/174214492.db2.gz YQBIFUVDKPBIHO-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179648316 258355383 /nfs/dbraw/zinc/35/53/83/258355383.db2.gz XYCRLSCDDVJHNB-ZDUSSCGKSA-N 0 3 373.413 1.800 20 5 FDBDHN C[C@@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180413354 258368086 /nfs/dbraw/zinc/36/80/86/258368086.db2.gz HHYZJIKFMOFDSR-GFCCVEGCSA-N 0 3 365.411 1.972 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173995041 258316735 /nfs/dbraw/zinc/31/67/35/258316735.db2.gz JMHGXQNKIDRACI-ZDUSSCGKSA-N 0 3 357.432 1.708 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000190034127 258388242 /nfs/dbraw/zinc/38/82/42/258388242.db2.gz LKMMUQSMHSAHRK-AWEZNQCLSA-N 0 3 360.414 1.929 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C ZINC000554336776 543786695 /nfs/dbraw/zinc/78/66/95/543786695.db2.gz KHISKFJVPRHOBQ-HIFRSBDPSA-N 0 3 374.441 1.685 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000554845688 543880743 /nfs/dbraw/zinc/88/07/43/543880743.db2.gz DVTKQPKWXIAFQM-RKVPGOIHSA-N 0 3 351.447 1.539 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000559413105 544676661 /nfs/dbraw/zinc/67/66/61/544676661.db2.gz ZZRLOFMYXGTZSV-UHFFFAOYSA-N 0 3 374.441 1.686 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559577402 544731230 /nfs/dbraw/zinc/73/12/30/544731230.db2.gz HVJYOPQVOHOUDG-UHFFFAOYSA-N 0 3 372.425 1.223 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294368499 258926169 /nfs/dbraw/zinc/92/61/69/258926169.db2.gz KEAYXYATKZOTFO-UHFFFAOYSA-N 0 3 372.429 1.352 20 5 FDBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCn2cc([N+](=O)[O-])nc2C)o1 ZINC000299617265 259010714 /nfs/dbraw/zinc/01/07/14/259010714.db2.gz KSBYWDUNPBOUDC-UHFFFAOYSA-N 0 3 363.418 1.982 20 5 FDBDHN O=c1[nH]cnc2cc(N3CCN(c4ccncc4)CC3)c([N+](=O)[O-])cc12 ZINC000301057591 259020411 /nfs/dbraw/zinc/02/04/11/259020411.db2.gz COKGNNHEUABIAL-UHFFFAOYSA-N 0 3 352.354 1.965 20 5 FDBDHN CNC(=O)c1ccc(N2CCC[C@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301510548 259028877 /nfs/dbraw/zinc/02/88/77/259028877.db2.gz CZONOXBRHPBERL-GJZGRUSLSA-N 0 3 362.430 1.380 20 5 FDBDHN C[C@@H](CN1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302480679 259042612 /nfs/dbraw/zinc/04/26/12/259042612.db2.gz YANNGJMBHSRDGB-LBPRGKRZSA-N 0 3 356.448 1.919 20 5 FDBDHN CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)CN1CCCCCC1 ZINC000331405105 259192952 /nfs/dbraw/zinc/19/29/52/259192952.db2.gz DYRQCLRFGQBIHI-UHFFFAOYSA-N 0 3 364.446 1.870 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1N1CCCC1 ZINC000332081135 259239582 /nfs/dbraw/zinc/23/95/82/259239582.db2.gz LGEBMTXKTYGDCS-LSDHHAIUSA-N 0 3 350.444 1.950 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000360473255 259432782 /nfs/dbraw/zinc/43/27/82/259432782.db2.gz RFKAKEKHHCBQCY-CQSZACIVSA-N 0 3 355.398 1.799 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000365720613 259870709 /nfs/dbraw/zinc/87/07/09/259870709.db2.gz RVUINLGYACFJSY-HZPDHXFCSA-N 0 3 369.425 1.922 20 5 FDBDHN N=C(NO)[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368523067 260196035 /nfs/dbraw/zinc/19/60/35/260196035.db2.gz CCHCSWFRCKNQPU-LLVKDONJSA-N 0 3 355.782 1.997 20 5 FDBDHN N=C(NO)[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368523068 260196041 /nfs/dbraw/zinc/19/60/41/260196041.db2.gz CCHCSWFRCKNQPU-NSHDSACASA-N 0 3 355.782 1.997 20 5 FDBDHN O=C(CCN1CCC[C@H](N2CCNC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368803233 260238605 /nfs/dbraw/zinc/23/86/05/260238605.db2.gz BTCRKBKAROAJQZ-HNNXBMFYSA-N 0 3 361.402 1.413 20 5 FDBDHN C[C@@H](CO)N1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000368964222 260269151 /nfs/dbraw/zinc/26/91/51/260269151.db2.gz NPESTTRVOKLOEQ-LBPRGKRZSA-N 0 3 370.837 1.575 20 5 FDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000368975726 260270962 /nfs/dbraw/zinc/27/09/62/260270962.db2.gz XQNYZRUPNZGOAQ-XAGWURHQSA-N 0 3 364.377 1.648 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369163638 260306082 /nfs/dbraw/zinc/30/60/82/260306082.db2.gz MLKPGDVFXFUXQZ-OAHLLOKOSA-N 0 3 358.402 1.215 20 5 FDBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000369226757 260316250 /nfs/dbraw/zinc/31/62/50/260316250.db2.gz MTACOAUYQUADBB-GOEBONIOSA-N 0 3 361.402 1.078 20 5 FDBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@H]1N1CCN(C)CC1 ZINC000371339091 260693905 /nfs/dbraw/zinc/69/39/05/260693905.db2.gz MCYGHBYRGKEBSZ-UONOGXRCSA-N 0 3 359.434 1.100 20 5 FDBDHN CC(C)c1nccn1C[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374144910 261084500 /nfs/dbraw/zinc/08/45/00/261084500.db2.gz OSNXCIPOBXJFGP-GOEBONIOSA-N 0 3 362.434 1.637 20 5 FDBDHN NC(=O)c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000374365080 261118959 /nfs/dbraw/zinc/11/89/59/261118959.db2.gz JLHXHBRNUJKAAC-HOTGVXAUSA-N 0 3 370.409 1.741 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375042942 261254284 /nfs/dbraw/zinc/25/42/84/261254284.db2.gz UPKCSKGDEQRGAP-NHYWBVRUSA-N 0 3 354.432 1.033 20 5 FDBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1cccnc1 ZINC000375498309 261355087 /nfs/dbraw/zinc/35/50/87/261355087.db2.gz FCDLGKUEEWLUCJ-GUYCJALGSA-N 0 3 355.398 1.995 20 5 FDBDHN NC(=O)[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375502685 261355498 /nfs/dbraw/zinc/35/54/98/261355498.db2.gz NFNFAQDKVHTTFV-NXEZZACHSA-N 0 3 374.319 1.519 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000270641589 674242609 /nfs/dbraw/zinc/24/26/09/674242609.db2.gz JJKREXXWRKWPPO-HIFRSBDPSA-N 0 3 368.459 1.519 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1N(C)C ZINC000271152820 674316203 /nfs/dbraw/zinc/31/62/03/674316203.db2.gz QMYSZZUEHJJLBG-DOMZBBRYSA-N 0 3 367.427 1.484 20 5 FDBDHN CNc1nccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007886 492228464 /nfs/dbraw/zinc/22/84/64/492228464.db2.gz GTNNTSCZYVWFBN-UHFFFAOYSA-N 0 3 363.418 1.358 20 5 FDBDHN CN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000070726324 522022714 /nfs/dbraw/zinc/02/27/14/522022714.db2.gz WZPXPCRWBADRCL-UHFFFAOYSA-N 0 3 372.328 1.345 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(CNC(=O)C2)C1 ZINC000072831302 522399488 /nfs/dbraw/zinc/39/94/88/522399488.db2.gz ARSDBQNRDYSAJA-SFHVURJKSA-N 0 3 360.414 1.834 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H](N2CCCC2)C1 ZINC000073073374 522460880 /nfs/dbraw/zinc/46/08/80/522460880.db2.gz RHCOKZWADNHNSW-CQSZACIVSA-N 0 3 361.398 1.605 20 5 FDBDHN COCCN(C)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466944 522593555 /nfs/dbraw/zinc/59/35/55/522593555.db2.gz MZRUARPJQWYTMB-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074447215 522777527 /nfs/dbraw/zinc/77/75/27/522777527.db2.gz RRVIGFHHAMXMCX-HNNXBMFYSA-N 0 3 358.402 1.309 20 5 FDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000065586757 522845539 /nfs/dbraw/zinc/84/55/39/522845539.db2.gz GLKSEWBHGBJOJP-NEPJUHHUSA-N 0 3 356.448 1.775 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000065843893 522902788 /nfs/dbraw/zinc/90/27/88/522902788.db2.gz QAFAILMYJKFOTH-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000066464423 523066318 /nfs/dbraw/zinc/06/63/18/523066318.db2.gz RFSHWKQTHYSAEB-UHFFFAOYSA-N 0 3 360.370 1.409 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000066948614 523282916 /nfs/dbraw/zinc/28/29/16/523282916.db2.gz KNDLQDDTQBWSSL-XJKSGUPXSA-N 0 3 362.430 1.656 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000121011252 524126409 /nfs/dbraw/zinc/12/64/09/524126409.db2.gz KFCVKQLUBFUMAD-UHFFFAOYSA-N 0 3 357.414 1.462 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1CN1CCOCC1 ZINC000110959458 524175250 /nfs/dbraw/zinc/17/52/50/524175250.db2.gz IZPYVHBDUQQFAL-AWEZNQCLSA-N 0 3 373.413 1.798 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111565560 524301164 /nfs/dbraw/zinc/30/11/64/524301164.db2.gz BGWOQOKUDQARCA-UHFFFAOYSA-N 0 3 362.386 1.134 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000173022385 524303520 /nfs/dbraw/zinc/30/35/20/524303520.db2.gz DZRSYFXNCMQLNP-LBPRGKRZSA-N 0 3 353.444 1.920 20 5 FDBDHN Cc1cccc(NC(=O)[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157720876 524325720 /nfs/dbraw/zinc/32/57/20/524325720.db2.gz DYHZZVSYEAFZBN-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN CCn1cc(NC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000157833361 524346409 /nfs/dbraw/zinc/34/64/09/524346409.db2.gz VJBXPDRQDQVIPK-UHFFFAOYSA-N 0 3 361.406 1.358 20 5 FDBDHN C[C@@H](NC(=O)NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000111831408 524350844 /nfs/dbraw/zinc/35/08/44/524350844.db2.gz KDQXKDVLKYNJIS-CYBMUJFWSA-N 0 3 350.419 1.659 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111837609 524352112 /nfs/dbraw/zinc/35/21/12/524352112.db2.gz MWEGOWDIOUIHCU-MRXNPFEDSA-N 0 3 350.419 1.547 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173247347 524353447 /nfs/dbraw/zinc/35/34/47/524353447.db2.gz QWWOOWYHLMKBOW-AAEUAGOBSA-N 0 3 357.432 1.564 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000085403714 524353616 /nfs/dbraw/zinc/35/36/16/524353616.db2.gz QEWREGFAHVMUHE-BBRMVZONSA-N 0 3 350.419 1.955 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173530819 524408840 /nfs/dbraw/zinc/40/88/40/524408840.db2.gz JAIROTTYGCPJLW-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1C ZINC000112362236 524471689 /nfs/dbraw/zinc/47/16/89/524471689.db2.gz MDVMXKSLOMPZCG-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN Cc1cc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000150901261 524503171 /nfs/dbraw/zinc/50/31/71/524503171.db2.gz QJIXRGXMSNNGLX-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN COc1ccc(OC)c([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174666163 524680667 /nfs/dbraw/zinc/68/06/67/524680667.db2.gz FCJCDVYOJHGBIP-WCQYABFASA-N 0 3 350.375 1.520 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174717435 524703909 /nfs/dbraw/zinc/70/39/09/524703909.db2.gz JYUJOAOERNEHIQ-UHFFFAOYSA-N 0 3 374.445 1.714 20 5 FDBDHN O=C(NCc1ccccc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174811735 524745981 /nfs/dbraw/zinc/74/59/81/524745981.db2.gz HNRWYNQFXGKWBC-UHFFFAOYSA-N 0 3 357.414 1.820 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000160562978 524916033 /nfs/dbraw/zinc/91/60/33/524916033.db2.gz NHIGZVZNUCTNDO-CYBMUJFWSA-N 0 3 353.444 1.541 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000160562846 524917053 /nfs/dbraw/zinc/91/70/53/524917053.db2.gz NHIGZVZNUCTNDO-ZDUSSCGKSA-N 0 3 353.444 1.541 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124522413 525010761 /nfs/dbraw/zinc/01/07/61/525010761.db2.gz WZNFGEYXGGUYDG-HNNXBMFYSA-N 0 3 362.430 1.773 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124621588 525036582 /nfs/dbraw/zinc/03/65/82/525036582.db2.gz ZESHGEZZJMNJOM-UHFFFAOYSA-N 0 3 359.430 1.324 20 5 FDBDHN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)ncc1[N+](=O)[O-] ZINC000161375898 525096503 /nfs/dbraw/zinc/09/65/03/525096503.db2.gz OMDCJZNHGCJLFW-INIZCTEOSA-N 0 3 371.441 1.999 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153494323 525227724 /nfs/dbraw/zinc/22/77/24/525227724.db2.gz ALXWPRFJSMWBAX-AWEZNQCLSA-N 0 3 374.235 1.329 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154589088 525581541 /nfs/dbraw/zinc/58/15/41/525581541.db2.gz PNRQUVDHDLHDOX-CQSZACIVSA-N 0 3 351.403 1.543 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181723078 525906368 /nfs/dbraw/zinc/90/63/68/525906368.db2.gz MQMUGYMMWCDNCR-CYBMUJFWSA-N 0 3 368.409 1.451 20 5 FDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000131977981 525925043 /nfs/dbraw/zinc/92/50/43/525925043.db2.gz HABWJWMCZWZWBH-MRVPVSSYSA-N 0 3 355.811 1.733 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000120488407 526081586 /nfs/dbraw/zinc/08/15/86/526081586.db2.gz XKMWQICZVRUEPL-QGZVFWFLSA-N 0 3 362.430 1.773 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000109806954 526189004 /nfs/dbraw/zinc/18/90/04/526189004.db2.gz CECVHARPKVVUHY-OLZOCXBDSA-N 0 3 350.419 1.956 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000183347379 535965372 /nfs/dbraw/zinc/96/53/72/535965372.db2.gz QVDCIHWUHYMJHC-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN COc1cc(F)c([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000183505669 535994019 /nfs/dbraw/zinc/99/40/19/535994019.db2.gz RXEXWIZKASBUPB-JQWIXIFHSA-N 0 3 368.365 1.659 20 5 FDBDHN Nc1c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000183773239 536047647 /nfs/dbraw/zinc/04/76/47/536047647.db2.gz OBDNTZUGOYUXFQ-HNNXBMFYSA-N 0 3 370.409 1.674 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1Cc1ccccc1 ZINC000185319035 536205428 /nfs/dbraw/zinc/20/54/28/536205428.db2.gz QECQHKZAWAPYHY-TZMCWYRMSA-N 0 3 355.398 1.965 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCN(C)C1CC1 ZINC000186771725 536243633 /nfs/dbraw/zinc/24/36/33/536243633.db2.gz PWYJOGWZADFETH-GFCCVEGCSA-N 0 3 350.419 1.956 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000187725820 536272779 /nfs/dbraw/zinc/27/27/79/536272779.db2.gz XSZYAPKCOASXJA-UHFFFAOYSA-N 0 3 354.794 1.739 20 5 FDBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000188670233 536923996 /nfs/dbraw/zinc/92/39/96/536923996.db2.gz YTVJJWLVZBJEGX-LLVKDONJSA-N 0 3 361.402 1.388 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000246657318 536998753 /nfs/dbraw/zinc/99/87/53/536998753.db2.gz DUYCCPMLSULHAA-HUUCEWRRSA-N 0 3 366.443 1.895 20 5 FDBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246692260 537004918 /nfs/dbraw/zinc/00/49/18/537004918.db2.gz IMCTZNLZWHGOOR-CXAGYDPISA-N 0 3 371.401 1.426 20 5 FDBDHN CC1(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000268096585 537010780 /nfs/dbraw/zinc/01/07/80/537010780.db2.gz JZMHAYNAHLZLIG-MRXNPFEDSA-N 0 3 366.414 1.810 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000189209852 537012097 /nfs/dbraw/zinc/01/20/97/537012097.db2.gz ZDMLFPBSPFVZHD-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000263658642 537055256 /nfs/dbraw/zinc/05/52/56/537055256.db2.gz GHCSJMNBABDQSM-LBPRGKRZSA-N 0 3 354.432 1.329 20 5 FDBDHN CS(=O)(=O)N1CC(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000189690563 537081897 /nfs/dbraw/zinc/08/18/97/537081897.db2.gz XHFHLRGKRYJFTA-UHFFFAOYSA-N 0 3 365.411 1.836 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247304576 537105782 /nfs/dbraw/zinc/10/57/82/537105782.db2.gz LOSLJKCPKOAJSE-WWGRRREGSA-N 0 3 362.430 1.558 20 5 FDBDHN CC[C@@H]1CN(c2ccccc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248395461 537176321 /nfs/dbraw/zinc/17/63/21/537176321.db2.gz OOYNVWARPBJZHP-CRAIPNDOSA-N 0 3 359.430 1.753 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000248443657 537183187 /nfs/dbraw/zinc/18/31/87/537183187.db2.gz FRQOMLLNQJKBNL-JKSUJKDBSA-N 0 3 365.430 1.131 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000191874727 537213873 /nfs/dbraw/zinc/21/38/73/537213873.db2.gz BFZBQNHKERGQSC-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000249119452 537230672 /nfs/dbraw/zinc/23/06/72/537230672.db2.gz BRBFKLPOTAITPX-QMTHXVAHSA-N 0 3 368.821 1.985 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272334449 537266005 /nfs/dbraw/zinc/26/60/05/537266005.db2.gz AQICPSJWXCGKKB-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278171969 537270872 /nfs/dbraw/zinc/27/08/72/537270872.db2.gz YZXDNFHBJDWXOV-BMIGLBTASA-N 0 3 358.402 1.753 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CC(N)=O)CC1 ZINC000298724723 537288222 /nfs/dbraw/zinc/28/82/22/537288222.db2.gz FJOYELORAYZTNT-UHFFFAOYSA-N 0 3 364.402 1.519 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CC2)OCCCO3)c1 ZINC000293011508 537289938 /nfs/dbraw/zinc/28/99/38/537289938.db2.gz OACGLEHLEJUPBT-OAHLLOKOSA-N 0 3 352.387 1.564 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000298953308 537386000 /nfs/dbraw/zinc/38/60/00/537386000.db2.gz OOHUYJXNQAVSTJ-YDGUKXNOSA-N 0 3 357.432 1.631 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000273393566 537446587 /nfs/dbraw/zinc/44/65/87/537446587.db2.gz FDKONWRMRYKRRA-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000299508541 537592680 /nfs/dbraw/zinc/59/26/80/537592680.db2.gz LWTXCRNZMRBHKM-QGZVFWFLSA-N 0 3 370.409 1.710 20 5 FDBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000366404426 537615962 /nfs/dbraw/zinc/61/59/62/537615962.db2.gz MTUORDZLBIHJEH-HIFRSBDPSA-N 0 3 352.391 1.081 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1CCN(C)C ZINC000293937962 537627852 /nfs/dbraw/zinc/62/78/52/537627852.db2.gz CIUZAAXLZCYJOX-LBPRGKRZSA-N 0 3 374.401 1.110 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc21 ZINC000285165910 537642769 /nfs/dbraw/zinc/64/27/69/537642769.db2.gz LXNLFPJJZYVWQM-UHFFFAOYSA-N 0 3 360.330 1.040 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292005081 537698045 /nfs/dbraw/zinc/69/80/45/537698045.db2.gz LYILYODIMRLIBJ-MRXNPFEDSA-N 0 3 353.444 1.495 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416305913 537795870 /nfs/dbraw/zinc/79/58/70/537795870.db2.gz YMYMJQYWGUPENV-MRXNPFEDSA-N 0 3 374.441 1.718 20 5 FDBDHN Cc1c(CC(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000372184873 537894411 /nfs/dbraw/zinc/89/44/11/537894411.db2.gz GHGINHLLZBLDFU-QGZVFWFLSA-N 0 3 374.485 1.932 20 5 FDBDHN COC(=O)COc1ccc(CN2CCNC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414781122 537909635 /nfs/dbraw/zinc/90/96/35/537909635.db2.gz VHTXJJHWXJUEQW-MRXNPFEDSA-N 0 3 355.366 1.280 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412075662 537945254 /nfs/dbraw/zinc/94/52/54/537945254.db2.gz MNEMWLLJPIXIDL-LBPRGKRZSA-N 0 3 367.427 1.761 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367447204 537960474 /nfs/dbraw/zinc/96/04/74/537960474.db2.gz JXHKYRWXNWSFJS-RDTXWAMCSA-N 0 3 358.398 1.131 20 5 FDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419347081 538047636 /nfs/dbraw/zinc/04/76/36/538047636.db2.gz WCPJEARQEPEFDR-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@H]21 ZINC000372978412 538072948 /nfs/dbraw/zinc/07/29/48/538072948.db2.gz LOEJGWCVZOQSOC-WMLDXEAASA-N 0 3 374.441 1.598 20 5 FDBDHN CN(CCOc1ccccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781654 538136685 /nfs/dbraw/zinc/13/66/85/538136685.db2.gz AWSXINVTZJSAQD-ZDUSSCGKSA-N 0 3 354.794 1.816 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419968064 538165688 /nfs/dbraw/zinc/16/56/88/538165688.db2.gz PFNOWDAORDQXSW-OAHLLOKOSA-N 0 3 362.430 1.577 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1cccc(F)c1 ZINC000420470437 538302206 /nfs/dbraw/zinc/30/22/06/538302206.db2.gz MFNSNXWNXVGNEV-NWDGAFQWSA-N 0 3 371.415 1.911 20 5 FDBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447258224 538363568 /nfs/dbraw/zinc/36/35/68/538363568.db2.gz VBMXHZZASYLZKV-SSDOTTSWSA-N 0 3 352.210 1.373 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013359 538368678 /nfs/dbraw/zinc/36/86/78/538368678.db2.gz QOPDGHISSGVHOM-GOEBONIOSA-N 0 3 355.398 1.675 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000452367215 538382610 /nfs/dbraw/zinc/38/26/10/538382610.db2.gz PLSNEHBVNWAYCY-LBPRGKRZSA-N 0 3 373.356 1.773 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000500736179 538527871 /nfs/dbraw/zinc/52/78/71/538527871.db2.gz FCWYHVDKLHHSMV-UHFFFAOYSA-N 0 3 358.398 1.959 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000457966142 538535994 /nfs/dbraw/zinc/53/59/94/538535994.db2.gz URJSICIDJXRXQS-MRXNPFEDSA-N 0 3 350.419 1.283 20 5 FDBDHN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000489748117 538839215 /nfs/dbraw/zinc/83/92/15/538839215.db2.gz TYRGSWSIEQTYFC-CYBMUJFWSA-N 0 3 350.423 1.307 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476362609 538864832 /nfs/dbraw/zinc/86/48/32/538864832.db2.gz GABWZBZDUJYQTC-OAHLLOKOSA-N 0 3 372.429 1.850 20 5 FDBDHN COc1ccc(CC(=O)N[C@@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000560844093 545618618 /nfs/dbraw/zinc/61/86/18/545618618.db2.gz OIQJGFYDPZZAJX-CQSZACIVSA-N 0 3 351.403 1.109 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000562370001 546113286 /nfs/dbraw/zinc/11/32/86/546113286.db2.gz JPNVBEVOUGLXAM-UHFFFAOYSA-N 0 3 358.402 1.777 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)[N-][C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000563130064 546417928 /nfs/dbraw/zinc/41/79/28/546417928.db2.gz PYKJOYAASYLTTH-NSHDSACASA-N 0 3 369.777 1.832 20 5 FDBDHN COCCN(C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563564305 546591452 /nfs/dbraw/zinc/59/14/52/546591452.db2.gz FWMWUNZGVCTTEN-UHFFFAOYSA-N 0 3 363.418 1.496 20 5 FDBDHN CN1CCC(n2ccc(=NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]2)CC1 ZINC000563665636 546637161 /nfs/dbraw/zinc/63/71/61/546637161.db2.gz SHQIUXHIJZEJTF-UHFFFAOYSA-N 0 3 373.369 2.039 20 5 FDBDHN C[C@@]1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)OCCc2sccc21 ZINC000564869857 547074967 /nfs/dbraw/zinc/07/49/67/547074967.db2.gz KXDUFXFCPVGZKX-WFASDCNBSA-N 0 3 352.416 1.291 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OC3CCCC3)nc2)c1 ZINC000566106782 547606720 /nfs/dbraw/zinc/60/67/20/547606720.db2.gz ZNRPPMXLQRSDIZ-HNNXBMFYSA-N 0 3 361.402 1.658 20 5 FDBDHN CC(C)(C)N1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567042640 547973928 /nfs/dbraw/zinc/97/39/28/547973928.db2.gz PBNCAYJZAMXAPV-TZMCWYRMSA-N 0 3 351.403 1.324 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000567710727 548223192 /nfs/dbraw/zinc/22/31/92/548223192.db2.gz QQGXBSLCQLRLGD-BBRMVZONSA-N 0 3 354.428 1.916 20 5 FDBDHN COC(=O)c1cc(NC(=O)c2ccn(CCN(C)C)n2)cc([N+](=O)[O-])c1 ZINC000568882355 548718850 /nfs/dbraw/zinc/71/88/50/548718850.db2.gz YELANUYKILWOQN-UHFFFAOYSA-N 0 3 361.358 1.392 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000569674067 549004024 /nfs/dbraw/zinc/00/40/24/549004024.db2.gz PYOXKOSFDHSQFH-LBPRGKRZSA-N 0 3 353.444 1.751 20 5 FDBDHN C[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000569884149 549081296 /nfs/dbraw/zinc/08/12/96/549081296.db2.gz NOSMGQYFSBCZHW-CZUORRHYSA-N 0 3 370.475 1.906 20 5 FDBDHN COC(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000570274022 549220644 /nfs/dbraw/zinc/22/06/44/549220644.db2.gz XNBCMKQPHDBPJN-LLVKDONJSA-N 0 3 366.395 1.972 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cnn(CC(F)(F)F)c1 ZINC000570508846 549305213 /nfs/dbraw/zinc/30/52/13/549305213.db2.gz NNIJBVGTUPFQRU-GFCCVEGCSA-N 0 3 374.319 1.883 20 5 FDBDHN CC(C)CC[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000571396596 549629117 /nfs/dbraw/zinc/62/91/17/549629117.db2.gz HYCGXXNBQCGPSN-CQSZACIVSA-N 0 3 359.448 1.260 20 5 FDBDHN CN(C)C(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571552479 549688480 /nfs/dbraw/zinc/68/84/80/549688480.db2.gz WLURCLXXUHLMLY-OAHLLOKOSA-N 0 3 362.390 1.036 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000572482993 549925030 /nfs/dbraw/zinc/92/50/30/549925030.db2.gz JSVZDLGVBZPWFF-NSHDSACASA-N 0 3 371.415 1.177 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1)OCCO2 ZINC000572482992 549925338 /nfs/dbraw/zinc/92/53/38/549925338.db2.gz JSVZDLGVBZPWFF-LLVKDONJSA-N 0 3 371.415 1.177 20 5 FDBDHN N[C@H]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CCN2C1=O ZINC000573220645 550090757 /nfs/dbraw/zinc/09/07/57/550090757.db2.gz ITOJKKJUGDIMOF-STQMWFEESA-N 0 3 359.411 1.467 20 5 FDBDHN C[C@@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000573934797 550234779 /nfs/dbraw/zinc/23/47/79/550234779.db2.gz YHVRZRHVLISNDO-PIGZYNQJSA-N 0 3 351.378 1.410 20 5 FDBDHN Cc1c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000574677411 550352590 /nfs/dbraw/zinc/35/25/90/550352590.db2.gz DLSIGDJMHYCSGX-XJKSGUPXSA-N 0 3 370.413 1.793 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000575069318 550420671 /nfs/dbraw/zinc/42/06/71/550420671.db2.gz VOAYKWBDNOMWED-IRXDYDNUSA-N 0 3 365.430 1.131 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575989541 550499083 /nfs/dbraw/zinc/49/90/83/550499083.db2.gz OTTJPNWQWSTHLZ-DDUZABMNSA-N 0 3 360.414 1.407 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000576926997 550600683 /nfs/dbraw/zinc/60/06/83/550600683.db2.gz CVFYMLRKYLKQHV-AWEZNQCLSA-N 0 3 350.419 1.895 20 5 FDBDHN CO[C@@H]1COCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577098990 550620546 /nfs/dbraw/zinc/62/05/46/550620546.db2.gz QWDCLKVZWMHXJW-IUODEOHRSA-N 0 3 358.416 1.010 20 5 FDBDHN O=[N+]([O-])c1cc(I)cc(CNCCN2CCC2)c1 ZINC000577904918 550707545 /nfs/dbraw/zinc/70/75/45/550707545.db2.gz CMMORHXTDIIMEL-UHFFFAOYSA-N 0 3 361.183 1.995 20 5 FDBDHN COC(=O)c1cc(C)nc(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000578853255 550808362 /nfs/dbraw/zinc/80/83/62/550808362.db2.gz KWUSVKQTYKOMJK-CYBMUJFWSA-N 0 3 366.418 1.590 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579371152 550866548 /nfs/dbraw/zinc/86/65/48/550866548.db2.gz XUNWDIAZNQNWAV-HERUPUMHSA-N 0 3 356.810 1.182 20 5 FDBDHN N[C@H]1C[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217302 550956431 /nfs/dbraw/zinc/95/64/31/550956431.db2.gz ZWJZLUZSGJINQY-GJZGRUSLSA-N 0 3 371.397 1.036 20 5 FDBDHN COc1ccc(CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000580563345 550995571 /nfs/dbraw/zinc/99/55/71/550995571.db2.gz OMTJZICYRGPUJI-AWEZNQCLSA-N 0 3 374.401 1.060 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000581499716 551096212 /nfs/dbraw/zinc/09/62/12/551096212.db2.gz PYKQVAUQXMAXEQ-GXSJLCMTSA-N 0 3 369.219 1.414 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000581592883 551108355 /nfs/dbraw/zinc/10/83/55/551108355.db2.gz DJYSOKGVRCGGFE-HNNXBMFYSA-N 0 3 366.418 1.120 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000581939597 551152534 /nfs/dbraw/zinc/15/25/34/551152534.db2.gz OVRGKNUNFZKLKX-IUODEOHRSA-N 0 3 350.350 1.795 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588035523 551642010 /nfs/dbraw/zinc/64/20/10/551642010.db2.gz QOXTWAFRHICXLG-GFCCVEGCSA-N 0 3 350.419 1.359 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000588056066 551643815 /nfs/dbraw/zinc/64/38/15/551643815.db2.gz SPOADICQTZJCIM-HNNXBMFYSA-N 0 3 360.414 1.120 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000590047153 551757764 /nfs/dbraw/zinc/75/77/64/551757764.db2.gz VHFIYVWSUOMFNL-WFASDCNBSA-N 0 3 372.381 1.024 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590399650 551780354 /nfs/dbraw/zinc/78/03/54/551780354.db2.gz CWJCQOVJNWIFML-NWDGAFQWSA-N 0 3 351.407 1.377 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446100 551785615 /nfs/dbraw/zinc/78/56/15/551785615.db2.gz RHEAIRFXKBLCGM-ZWNOBZJWSA-N 0 3 366.805 1.141 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000590601103 551797360 /nfs/dbraw/zinc/79/73/60/551797360.db2.gz QLRHRZMRDYBOEP-UHFFFAOYSA-N 0 3 373.417 1.812 20 5 FDBDHN CSC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000591744882 551905725 /nfs/dbraw/zinc/90/57/25/551905725.db2.gz HGTCJHUHXGNYQM-UHFFFAOYSA-N 0 3 374.484 1.870 20 5 FDBDHN CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000591754094 551905807 /nfs/dbraw/zinc/90/58/07/551905807.db2.gz BEOTXLUNPMRUKC-SWLSCSKDSA-N 0 3 354.794 1.783 20 5 FDBDHN CCOc1ccc2c(c1)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591761111 551906941 /nfs/dbraw/zinc/90/69/41/551906941.db2.gz VZIKOYDJYCBALP-CJNGLKHVSA-N 0 3 362.386 1.664 20 5 FDBDHN Cc1c(-c2nc([C@H]3CCCN3)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592356741 551984049 /nfs/dbraw/zinc/98/40/49/551984049.db2.gz HLIRVVJQENJXLQ-SNVBAGLBSA-N 0 3 353.360 1.025 20 5 FDBDHN CSc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592879321 552038220 /nfs/dbraw/zinc/03/82/20/552038220.db2.gz KVHOVLDUCOTCAH-NSHDSACASA-N 0 3 366.443 1.509 20 5 FDBDHN Cc1cc(OCC(=O)N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592898643 552040505 /nfs/dbraw/zinc/04/05/05/552040505.db2.gz LFRRZGUCLJYSPH-UHFFFAOYSA-N 0 3 363.414 1.605 20 5 FDBDHN COCCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101469 552062440 /nfs/dbraw/zinc/06/24/40/552062440.db2.gz VJXNKVDQTZVKCW-MRXNPFEDSA-N 0 3 367.446 1.377 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000593576341 552140657 /nfs/dbraw/zinc/14/06/57/552140657.db2.gz QZHOYABMQSABBG-OLZOCXBDSA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000593576341 552140658 /nfs/dbraw/zinc/14/06/58/552140658.db2.gz QZHOYABMQSABBG-OLZOCXBDSA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN1CCCCC1 ZINC000593882396 552216216 /nfs/dbraw/zinc/21/62/16/552216216.db2.gz FPZLEZITTBMQOJ-AWEZNQCLSA-N 0 3 362.430 1.657 20 5 FDBDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594034367 552241802 /nfs/dbraw/zinc/24/18/02/552241802.db2.gz CIJPRKNBNVMVGV-LBPRGKRZSA-N 0 3 370.312 1.606 20 5 FDBDHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000594365757 552296491 /nfs/dbraw/zinc/29/64/91/552296491.db2.gz XSLSRAHUKBIMOG-AWEZNQCLSA-N 0 3 360.414 1.221 20 5 FDBDHN C[C@@H]1CC[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594505645 552326423 /nfs/dbraw/zinc/32/64/23/552326423.db2.gz YIFGUMWQKIQWDN-NEPJUHHUSA-N 0 3 359.473 1.747 20 5 FDBDHN NC[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000594523489 552327229 /nfs/dbraw/zinc/32/72/29/552327229.db2.gz CHWVDMCHDCLKRT-VIFPVBQESA-N 0 3 350.301 1.027 20 5 FDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595122078 552458057 /nfs/dbraw/zinc/45/80/57/552458057.db2.gz QDYAUEQKLAJMIE-ZETCQYMHSA-N 0 3 352.210 1.244 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595384056 552544222 /nfs/dbraw/zinc/54/42/22/552544222.db2.gz IJECUTNHNPDQRA-OAHLLOKOSA-N 0 3 369.443 1.123 20 5 FDBDHN Cc1noc(CN2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000595403672 552551303 /nfs/dbraw/zinc/55/13/03/552551303.db2.gz HFGZVXQWUCDXBK-UHFFFAOYSA-N 0 3 351.451 1.882 20 5 FDBDHN CO[C@]1(CO)CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595657285 552598145 /nfs/dbraw/zinc/59/81/45/552598145.db2.gz ALSBTDPGEQQEAO-QGZVFWFLSA-N 0 3 351.403 1.705 20 5 FDBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000595767268 552613125 /nfs/dbraw/zinc/61/31/25/552613125.db2.gz BBJPRRZFCQKWEI-BBRMVZONSA-N 0 3 357.414 1.928 20 5 FDBDHN CCCN1CC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595806949 552618014 /nfs/dbraw/zinc/61/80/14/552618014.db2.gz MZYDSEMWSGKSCU-HNNXBMFYSA-N 0 3 361.446 1.911 20 5 FDBDHN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c(F)c1N1CCOCC1 ZINC000596017003 552644677 /nfs/dbraw/zinc/64/46/77/552644677.db2.gz YNWOAAAFYIUKSQ-BETUJISGSA-N 0 3 350.394 1.901 20 5 FDBDHN O=C(c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000596091381 552654158 /nfs/dbraw/zinc/65/41/58/552654158.db2.gz YVKMIFUHCNIVHZ-CQSZACIVSA-N 0 3 360.414 1.716 20 5 FDBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccn1 ZINC000596180312 552662701 /nfs/dbraw/zinc/66/27/01/552662701.db2.gz SADNCVXFMVDUJK-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000596210645 552665279 /nfs/dbraw/zinc/66/52/79/552665279.db2.gz KRYDPHPIFPAZEO-CYBMUJFWSA-N 0 3 354.432 1.671 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cc1Br ZINC000596463852 552681574 /nfs/dbraw/zinc/68/15/74/552681574.db2.gz UHEPFSULTRSSAU-UHFFFAOYSA-N 0 3 374.239 1.209 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597049825 552739419 /nfs/dbraw/zinc/73/94/19/552739419.db2.gz YMYODLDPPUZJTJ-DOMZBBRYSA-N 0 3 355.416 1.030 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597049839 552739474 /nfs/dbraw/zinc/73/94/74/552739474.db2.gz YYSBYHXHBNNTDW-DOMZBBRYSA-N 0 3 355.416 1.030 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597857606 552841534 /nfs/dbraw/zinc/84/15/34/552841534.db2.gz GNLAVSIPDVITQX-AWEZNQCLSA-N 0 3 358.402 1.778 20 5 FDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597921773 552846254 /nfs/dbraw/zinc/84/62/54/552846254.db2.gz AMNCUKUOGXHRBQ-LBPRGKRZSA-N 0 3 351.403 1.971 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597989270 552853289 /nfs/dbraw/zinc/85/32/89/552853289.db2.gz DYSGPWJBIUDESS-QGZVFWFLSA-N 0 3 373.413 1.064 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597991275 552853553 /nfs/dbraw/zinc/85/35/53/552853553.db2.gz QFFSCQHBQCTAET-HNNXBMFYSA-N 0 3 373.413 1.133 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000598061441 552862248 /nfs/dbraw/zinc/86/22/48/552862248.db2.gz FLBJRBQTESCGME-UHFFFAOYSA-N 0 3 372.429 1.848 20 5 FDBDHN C[C@H]1CCCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590540 552912269 /nfs/dbraw/zinc/91/22/69/552912269.db2.gz OGFOSRZKPAREIE-ZDUSSCGKSA-N 0 3 350.423 1.365 20 5 FDBDHN COC(=O)c1ccnc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000598620749 552916692 /nfs/dbraw/zinc/91/66/92/552916692.db2.gz ZWAXTUISZXWQGB-CHWSQXEVSA-N 0 3 366.443 1.792 20 5 FDBDHN CCCCN(C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897464 552940757 /nfs/dbraw/zinc/94/07/57/552940757.db2.gz FBROQVXTJKAQAK-UHFFFAOYSA-N 0 3 351.407 1.564 20 5 FDBDHN O=C(NCC(=O)N1CC[C@H](N2CCCC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598897012 552940792 /nfs/dbraw/zinc/94/07/92/552940792.db2.gz WBGTYBWZRATIMS-HNNXBMFYSA-N 0 3 361.402 1.413 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897968 552940997 /nfs/dbraw/zinc/94/09/97/552940997.db2.gz NCNDMNSLBTZIMZ-CYBMUJFWSA-N 0 3 363.418 1.707 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598946783 552950460 /nfs/dbraw/zinc/95/04/60/552950460.db2.gz VFNZMJUTBVFJIV-UHFFFAOYSA-N 0 3 363.399 1.043 20 5 FDBDHN COc1ccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599006925 552957569 /nfs/dbraw/zinc/95/75/69/552957569.db2.gz MXCWVTGBYKJPTQ-QGZVFWFLSA-N 0 3 372.425 1.989 20 5 FDBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000599109342 552969171 /nfs/dbraw/zinc/96/91/71/552969171.db2.gz UTDIHTKYSIZBSY-UHFFFAOYSA-N 0 3 370.251 1.436 20 5 FDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599111839 552969264 /nfs/dbraw/zinc/96/92/64/552969264.db2.gz NZJAHASKLQNVEX-IONNQARKSA-N 0 3 353.322 1.642 20 5 FDBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599214706 552988530 /nfs/dbraw/zinc/98/85/30/552988530.db2.gz BFXPYJOVRYBNHJ-UHFFFAOYSA-N 0 3 361.468 1.317 20 5 FDBDHN O=C(CCN1CCC(N2CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599472500 553067705 /nfs/dbraw/zinc/06/77/05/553067705.db2.gz HPTFASQWENNDOH-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCN(CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599671262 553118566 /nfs/dbraw/zinc/11/85/66/553118566.db2.gz QEPKHJARDUXOBH-UHFFFAOYSA-N 0 3 368.409 1.909 20 5 FDBDHN C[C@H](C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599939240 553179574 /nfs/dbraw/zinc/17/95/74/553179574.db2.gz UCASIEIIRNVHFD-FPMFFAJLSA-N 0 3 351.378 1.505 20 5 FDBDHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601344805 553380834 /nfs/dbraw/zinc/38/08/34/553380834.db2.gz FTKTZTIMBOOYRE-KRWDZBQOSA-N 0 3 361.442 1.980 20 5 FDBDHN CC1(N2CCCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000601497187 553421085 /nfs/dbraw/zinc/42/10/85/553421085.db2.gz PMNOVHWEZXJADL-UHFFFAOYSA-N 0 3 354.432 1.629 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCN(c2ccncc2)CC1 ZINC000601517382 553426036 /nfs/dbraw/zinc/42/60/36/553426036.db2.gz GAVJOBHHYUMKOB-UHFFFAOYSA-N 0 3 362.411 1.891 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601539832 553432850 /nfs/dbraw/zinc/43/28/50/553432850.db2.gz PZKGJQSCYFCWSN-GOSISDBHSA-N 0 3 361.442 1.932 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1CCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601613169 553445456 /nfs/dbraw/zinc/44/54/56/553445456.db2.gz OMXSDNRVYUNYKZ-KRWDZBQOSA-N 0 3 361.442 1.980 20 5 FDBDHN CN1CCN(c2ccnc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000601804683 553477655 /nfs/dbraw/zinc/47/76/55/553477655.db2.gz KXADBPGFCLLWJV-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN CO[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000602476698 553589745 /nfs/dbraw/zinc/58/97/45/553589745.db2.gz YLBMMCPQFPKOOV-GOEBONIOSA-N 0 3 350.419 1.918 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000602820500 553644699 /nfs/dbraw/zinc/64/46/99/553644699.db2.gz UUQUCJCRXVITES-UHFFFAOYSA-N 0 3 359.434 1.907 20 5 FDBDHN CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602874949 553657240 /nfs/dbraw/zinc/65/72/40/553657240.db2.gz WCADQUGEDAKSAY-YOEHRIQHSA-N 0 3 351.447 1.997 20 5 FDBDHN CN1CCN(CCCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603626558 553807478 /nfs/dbraw/zinc/80/74/78/553807478.db2.gz NPAADBOGIFQJBX-UHFFFAOYSA-N 0 3 366.487 1.831 20 5 FDBDHN COCCNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603661777 553808640 /nfs/dbraw/zinc/80/86/40/553808640.db2.gz ZQCFGOIACCEGAD-UHFFFAOYSA-N 0 3 351.403 1.448 20 5 FDBDHN CCN1CCC(N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609231889 554351485 /nfs/dbraw/zinc/35/14/85/554351485.db2.gz GZNOZOKXUWZFOU-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN O=C(NCCN1CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609555207 554392191 /nfs/dbraw/zinc/39/21/91/554392191.db2.gz CTPBHIOHODUCHH-LBPRGKRZSA-N 0 3 350.375 1.004 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCC[C@@H]1C ZINC000609841299 554427965 /nfs/dbraw/zinc/42/79/65/554427965.db2.gz MWICYPCIOZEXCL-GXTWGEPZSA-N 0 3 366.466 1.818 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000609876807 554432366 /nfs/dbraw/zinc/43/23/66/554432366.db2.gz GKFMTTFMDJTQHH-CYBMUJFWSA-N 0 3 351.403 1.973 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609963830 554445133 /nfs/dbraw/zinc/44/51/33/554445133.db2.gz QBJWKVCKYRKIQV-CYBMUJFWSA-N 0 3 366.418 1.671 20 5 FDBDHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000610002559 554447749 /nfs/dbraw/zinc/44/77/49/554447749.db2.gz RKRVGURBDJOWSK-OAHLLOKOSA-N 0 3 362.430 1.720 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432912 554505211 /nfs/dbraw/zinc/50/52/11/554505211.db2.gz IEDYUJANKXICJK-SJORKVTESA-N 0 3 356.386 1.380 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611876592 554695005 /nfs/dbraw/zinc/69/50/05/554695005.db2.gz YCXSTZMPBPWLAU-ZDUSSCGKSA-N 0 3 362.386 1.142 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OCCCO)CC1 ZINC000612090064 554732703 /nfs/dbraw/zinc/73/27/03/554732703.db2.gz QGPBOKABBJJUQN-AWEZNQCLSA-N 0 3 354.403 1.198 20 5 FDBDHN CN1CCC[C@@H](N2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)C1 ZINC000612444839 554780668 /nfs/dbraw/zinc/78/06/68/554780668.db2.gz WJCGHZSHVQFDPI-CQSZACIVSA-N 0 3 356.430 1.754 20 5 FDBDHN Cn1cc(C(=O)N2CCN3CCC2CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000615883871 555250072 /nfs/dbraw/zinc/25/00/72/555250072.db2.gz NXCQSCZTEMAFIB-UHFFFAOYSA-N 0 3 355.398 1.916 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1CCN(C)CC1 ZINC000617349996 555422230 /nfs/dbraw/zinc/42/22/30/555422230.db2.gz QUAXJQFZMCENNA-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000619486795 555786532 /nfs/dbraw/zinc/78/65/32/555786532.db2.gz YEFQVTQNGPODIW-VXGBXAGGSA-N 0 3 357.432 1.564 20 5 FDBDHN CN1CCN(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000619655466 555818233 /nfs/dbraw/zinc/81/82/33/555818233.db2.gz CSZCMJFRTUCIIR-UHFFFAOYSA-N 0 3 364.446 1.482 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000291309332 568102636 /nfs/dbraw/zinc/10/26/36/568102636.db2.gz NWOMEEYMGHSLBQ-ZDUSSCGKSA-N 0 3 362.430 1.896 20 5 FDBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272152007 674417696 /nfs/dbraw/zinc/41/76/96/674417696.db2.gz XQLZOBLTNCDCJU-GFCCVEGCSA-N 0 3 365.411 1.972 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646832 607472681 /nfs/dbraw/zinc/47/26/81/607472681.db2.gz BAIJHUOIUDTXHY-IAQYHMDHSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646832 607472683 /nfs/dbraw/zinc/47/26/83/607472683.db2.gz BAIJHUOIUDTXHY-IAQYHMDHSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646832 607472685 /nfs/dbraw/zinc/47/26/85/607472685.db2.gz BAIJHUOIUDTXHY-IAQYHMDHSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646832 607472687 /nfs/dbraw/zinc/47/26/87/607472687.db2.gz BAIJHUOIUDTXHY-IAQYHMDHSA-N 0 3 370.417 1.623 20 5 FDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273495424 674542907 /nfs/dbraw/zinc/54/29/07/674542907.db2.gz HMENMEDECKAVIU-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499636 608374735 /nfs/dbraw/zinc/37/47/35/608374735.db2.gz QJLQWBBSPDXYTM-UHFFFAOYSA-N 0 3 354.374 1.831 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499636 608374737 /nfs/dbraw/zinc/37/47/37/608374737.db2.gz QJLQWBBSPDXYTM-UHFFFAOYSA-N 0 3 354.374 1.831 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000275836587 674648884 /nfs/dbraw/zinc/64/88/84/674648884.db2.gz UYXMFSWPKUUXHP-WMLDXEAASA-N 0 3 351.403 1.752 20 5 FDBDHN COCC(C)(C)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178602158 672144400 /nfs/dbraw/zinc/14/44/00/672144400.db2.gz LNWHLAHMVFNKTK-UHFFFAOYSA-N 0 3 350.419 1.258 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000178738312 672147003 /nfs/dbraw/zinc/14/70/03/672147003.db2.gz NYMWMWBYUODAGB-INIZCTEOSA-N 0 3 366.849 1.987 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000262737230 672838382 /nfs/dbraw/zinc/83/83/82/672838382.db2.gz HFNYXRWHBYUWPV-UHFFFAOYSA-N 0 3 353.322 1.644 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000267780487 673325826 /nfs/dbraw/zinc/32/58/26/673325826.db2.gz ZUWXQZABZLAUEH-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN Cc1c(NC(=O)C(=O)NCCN(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000281294335 675508084 /nfs/dbraw/zinc/50/80/84/675508084.db2.gz WVIVLOPLLGUPQZ-UHFFFAOYSA-N 0 3 373.207 1.282 20 5 FDBDHN C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000292228429 676290619 /nfs/dbraw/zinc/29/06/19/676290619.db2.gz IQCZYKXTRJCXPL-GFCCVEGCSA-N 0 3 368.459 1.553 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000378319376 678740034 /nfs/dbraw/zinc/74/00/34/678740034.db2.gz RQGKVZQEGBQPAC-OLZOCXBDSA-N 0 3 352.460 1.754 20 5 FDBDHN COC(=O)[C@]1(C)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412060930 679148520 /nfs/dbraw/zinc/14/85/20/679148520.db2.gz HECWUOPYDUSSOB-SUMWQHHRSA-N 0 3 352.387 1.610 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1F ZINC000412193780 679163583 /nfs/dbraw/zinc/16/35/83/679163583.db2.gz OPHVMDQFFFTFIX-LBPRGKRZSA-N 0 3 351.378 1.980 20 5 FDBDHN COC(=O)c1cc(NC(=O)N2C[C@H](C)NC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415600765 679462393 /nfs/dbraw/zinc/46/23/93/679462393.db2.gz OPSJFGGGSSMIJR-VHSXEESVSA-N 0 3 350.375 1.904 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)CCCC2 ZINC000417347831 679759216 /nfs/dbraw/zinc/75/92/16/679759216.db2.gz ICCLTRSAPJHSLV-CVEARBPZSA-N 0 3 354.428 1.502 20 5 FDBDHN CCOC1CC(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420978501 680583460 /nfs/dbraw/zinc/58/34/60/680583460.db2.gz XIANWTLDUAAFMO-UHFFFAOYSA-N 0 3 371.459 1.620 20 5 FDBDHN COC(=O)COc1ccc(CNCC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000435747853 681632793 /nfs/dbraw/zinc/63/27/93/681632793.db2.gz BQIWNDFVHXZRES-RUZDIDTESA-N 0 3 370.427 1.537 20 5 FDBDHN COc1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000442897331 682189221 /nfs/dbraw/zinc/18/92/21/682189221.db2.gz MJQXRLHEQVBEFZ-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(C)C ZINC000444172156 682387296 /nfs/dbraw/zinc/38/72/96/682387296.db2.gz ADHNJOKGBHLOHK-UHFFFAOYSA-N 0 3 373.431 1.390 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475096352 685558693 /nfs/dbraw/zinc/55/86/93/685558693.db2.gz NDVRXWUYRPKALI-OLZOCXBDSA-N 0 3 351.403 1.671 20 5 FDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NCC1CCC1 ZINC000449120291 682666638 /nfs/dbraw/zinc/66/66/38/682666638.db2.gz CINZJCIATPKPHT-CYBMUJFWSA-N 0 3 355.460 1.835 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450600880 682769637 /nfs/dbraw/zinc/76/96/37/682769637.db2.gz WVUVHNXJFFGHII-LBPRGKRZSA-N 0 3 352.391 1.425 20 5 FDBDHN CC1(C)CCCN1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452094875 683024890 /nfs/dbraw/zinc/02/48/90/683024890.db2.gz XVIHZXFCJLIFNW-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452365061 683060769 /nfs/dbraw/zinc/06/07/69/683060769.db2.gz NFBVGSJHHNCUJF-ZDUSSCGKSA-N 0 3 351.403 1.570 20 5 FDBDHN COC(=O)COc1ccc(CN(C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000475695182 685628161 /nfs/dbraw/zinc/62/81/61/685628161.db2.gz IQRILKOPMMVOIR-UHFFFAOYSA-N 0 3 352.387 1.884 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452783800 683118689 /nfs/dbraw/zinc/11/86/89/683118689.db2.gz NCTNNYMEXIKQSM-CQSZACIVSA-N 0 3 351.403 1.570 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000469713594 684983475 /nfs/dbraw/zinc/98/34/75/684983475.db2.gz PJMCEVCAGBIZFI-OLZOCXBDSA-N 0 3 352.439 1.380 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC(CCCN2CCOCC2)CC1 ZINC000506023398 688546438 /nfs/dbraw/zinc/54/64/38/688546438.db2.gz XJBAPTOQRPQYBL-UHFFFAOYSA-N 0 3 351.451 1.653 20 5 FDBDHN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000512557817 689626610 /nfs/dbraw/zinc/62/66/10/689626610.db2.gz YMTXEOLXIQSQDP-XYPWUTKMSA-N 0 3 367.471 1.926 20 5 FDBDHN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164762121 721076240 /nfs/dbraw/zinc/07/62/40/721076240.db2.gz CNPSJBPYHMXEIM-JKSUJKDBSA-N 0 3 356.430 1.990 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000275957774 774760522 /nfs/dbraw/zinc/76/05/22/774760522.db2.gz CASRJEINDVGHSU-NSHDSACASA-N 0 3 362.386 1.309 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000933332434 777280564 /nfs/dbraw/zinc/28/05/64/777280564.db2.gz YWPCJDKKXZPDAD-HUUCEWRRSA-N 0 3 374.441 1.511 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276671536 778623723 /nfs/dbraw/zinc/62/37/23/778623723.db2.gz TXFZZOIYUWDWMY-INIZCTEOSA-N 0 3 369.425 1.886 20 5 FDBDHN CCOC(=O)COc1ncc(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167697828 787833458 /nfs/dbraw/zinc/83/34/58/787833458.db2.gz FKSGEKWXBZXYFY-UHFFFAOYSA-N 0 3 371.353 1.729 20 5 FDBDHN COC(=O)c1cc(C)nc(N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000376477986 787983321 /nfs/dbraw/zinc/98/33/21/787983321.db2.gz FTKAVPYUEXBYDU-UHFFFAOYSA-N 0 3 366.418 1.368 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412132529 792291134 /nfs/dbraw/zinc/29/11/34/792291134.db2.gz WPGWILFPTHRSQX-ZWKOTPCHSA-N 0 3 360.458 1.794 20 5 FDBDHN C[C@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000893048600 792656140 /nfs/dbraw/zinc/65/61/40/792656140.db2.gz SDLCEZMDTXKIKJ-GXTWGEPZSA-N 0 3 360.418 1.593 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378274549 793847399 /nfs/dbraw/zinc/84/73/99/793847399.db2.gz RDUXWJWOHDTGOQ-CABCVRRESA-N 0 3 358.398 1.598 20 5 FDBDHN CC[C@H](C)N[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000500141446 795533657 /nfs/dbraw/zinc/53/36/57/795533657.db2.gz NGVGFWGNNMHYJD-GXTWGEPZSA-N 0 3 364.406 1.813 20 5 FDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367060681 814296255 /nfs/dbraw/zinc/29/62/55/814296255.db2.gz QZWNEXLJDDSQLW-HIFRSBDPSA-N 0 3 363.418 1.965 20 5 FDBDHN CN(C)C[C@@H]1NC(=O)N(Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000925086667 818729796 /nfs/dbraw/zinc/72/97/96/818729796.db2.gz PRUHIQSQBAZFKQ-JTQLQIEISA-N 0 3 371.191 1.339 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469873794 826829243 /nfs/dbraw/zinc/82/92/43/826829243.db2.gz UXYFGBRVAOFNDI-INIZCTEOSA-N 0 3 358.398 1.944 20 5 FDBDHN COCCO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000444755988 828189403 /nfs/dbraw/zinc/18/94/03/828189403.db2.gz ZWNMORIOFWRGCE-CQSZACIVSA-N 0 3 365.386 1.630 20 5 FDBDHN COc1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449705787 829630863 /nfs/dbraw/zinc/63/08/63/829630863.db2.gz ZGTHNZWJVVZKBY-HNNXBMFYSA-N 0 3 362.430 1.390 20 5 FDBDHN Cc1cnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001029964591 831934819 /nfs/dbraw/zinc/93/48/19/831934819.db2.gz QEIOKGBNRXAROA-ZIAGYGMSSA-N 0 3 352.460 1.787 20 5 FDBDHN CO[C@H]1C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C12CCC2 ZINC000459759722 838931895 /nfs/dbraw/zinc/93/18/95/838931895.db2.gz MBGRUFADTBENKI-GJZGRUSLSA-N 0 3 363.370 1.809 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000476148803 839985336 /nfs/dbraw/zinc/98/53/36/839985336.db2.gz KEKMUSFSFPXPRU-OAHLLOKOSA-N 0 3 366.418 1.513 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000898382090 841059090 /nfs/dbraw/zinc/05/90/90/841059090.db2.gz RNZHHQGVNGAXSJ-KGLIPLIRSA-N 0 3 350.371 1.661 20 5 FDBDHN O=C(NCCNCc1c(F)cccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001126936208 848587072 /nfs/dbraw/zinc/58/70/72/848587072.db2.gz AQLJPQODJCUPNG-PRHODGIISA-N 0 3 360.183 1.459 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000912610657 859955906 /nfs/dbraw/zinc/95/59/06/859955906.db2.gz WPWHEYVXXHBXDD-UHFFFAOYSA-N 0 3 364.446 1.581 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000916664135 882018308 /nfs/dbraw/zinc/01/83/08/882018308.db2.gz QSOQXGTXHPHINN-CABCVRRESA-N 0 3 353.444 1.351 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914033687 870439755 /nfs/dbraw/zinc/43/97/55/870439755.db2.gz IDTSYEIYKBKPFW-HNNXBMFYSA-N 0 3 356.400 1.798 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000494343187 873459941 /nfs/dbraw/zinc/45/99/41/873459941.db2.gz KRFUASTURYUZOE-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN CN(C)C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000763023265 877591242 /nfs/dbraw/zinc/59/12/42/877591242.db2.gz LZEWUPHANYLEJF-UHFFFAOYSA-N 0 3 366.443 1.425 20 5 FDBDHN COCCCN(C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585621 877983691 /nfs/dbraw/zinc/98/36/91/877983691.db2.gz YXRMZMVRYNUKIB-QGZVFWFLSA-N 0 3 361.446 1.976 20 5 FDBDHN O=C1N(CN2CCN(CC3CC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154686721 884282213 /nfs/dbraw/zinc/28/22/13/884282213.db2.gz WWNAKUXHJPURGO-UHFFFAOYSA-N 0 3 359.430 1.822 20 5 FDBDHN Cc1nc(C(C)C)oc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002781394 893936283 /nfs/dbraw/zinc/93/62/83/893936283.db2.gz AQKXQIDLVWJMLX-ZIAGYGMSSA-N 0 3 350.419 1.852 20 5 FDBDHN CC(C)(C)CCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107168226 903571154 /nfs/dbraw/zinc/57/11/54/903571154.db2.gz RHBGNUNQZWRYLO-HUUCEWRRSA-N 0 3 364.450 1.243 20 5 FDBDHN CC(C)(C)c1nnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996439433 903888470 /nfs/dbraw/zinc/88/84/70/903888470.db2.gz CSVDWABDGXVUSG-VXGBXAGGSA-N 0 3 351.407 1.113 20 5 FDBDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000273064345 911025097 /nfs/dbraw/zinc/02/50/97/911025097.db2.gz YUWQHIQUFQCWLA-GFCCVEGCSA-N 0 3 370.413 1.864 20 5 FDBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273281038 912142009 /nfs/dbraw/zinc/14/20/09/912142009.db2.gz DLLUMVZYYGUCSV-KGLIPLIRSA-N 0 3 366.414 1.998 20 5 FDBDHN COc1cc(OC)nc(CN2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169023195 928246855 /nfs/dbraw/zinc/24/68/55/928246855.db2.gz DKMSWZUXCMZVPH-UONOGXRCSA-N 0 3 365.434 1.057 20 5 FDBDHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047922 928255316 /nfs/dbraw/zinc/25/53/16/928255316.db2.gz SORSDFVTWRLHIA-DCGLDWPTSA-N 0 3 371.434 1.574 20 5 FDBDHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047923 928255822 /nfs/dbraw/zinc/25/58/22/928255822.db2.gz SORSDFVTWRLHIA-IGCXYCKISA-N 0 3 371.434 1.574 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791353718 933981736 /nfs/dbraw/zinc/98/17/36/933981736.db2.gz SUVCDXWLWUFXKB-UHFFFAOYSA-N 0 3 356.398 1.450 20 5 FDBDHN CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000805762044 938825932 /nfs/dbraw/zinc/82/59/32/938825932.db2.gz LRUVLRKZNALBCS-ZFWWWQNUSA-N 0 3 369.422 1.095 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000822879051 945280665 /nfs/dbraw/zinc/28/06/65/945280665.db2.gz PJLPELIZRHHISX-MNOVXSKESA-N 0 3 353.350 1.336 20 5 FDBDHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001132907316 941146287 /nfs/dbraw/zinc/14/62/87/941146287.db2.gz KTALVBSKXMTQEZ-UHFFFAOYSA-N 0 3 374.441 1.470 20 5 FDBDHN CCN1CCN(c2ccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])cc2)CC1 ZINC000811710653 941152288 /nfs/dbraw/zinc/15/22/88/941152288.db2.gz QKRAUPGEMMCVJJ-UHFFFAOYSA-N 0 3 370.413 1.974 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@]12CCOC2 ZINC001195241615 970785045 /nfs/dbraw/zinc/78/50/45/970785045.db2.gz IAMAJNRNHATOMI-BBRMVZONSA-N 0 3 369.443 1.232 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813100153 941325376 /nfs/dbraw/zinc/32/53/76/941325376.db2.gz OBBLZDRVDMLAKF-QWRGUYRKSA-N 0 3 362.429 1.500 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[N+](=O)[O-] ZINC000813101666 941325972 /nfs/dbraw/zinc/32/59/72/941325972.db2.gz GOVCOUSXVSUVDO-NSHDSACASA-N 0 3 368.367 1.580 20 5 FDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCC(=O)NC(C)C ZINC000813104810 941326472 /nfs/dbraw/zinc/32/64/72/941326472.db2.gz RXQPIPLKNKAPMX-NSHDSACASA-N 0 3 354.359 1.421 20 5 FDBDHN CC(COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813105597 941328997 /nfs/dbraw/zinc/32/89/97/941328997.db2.gz PYBJVILMLIJUKP-MRVPVSSYSA-N 0 3 350.780 1.412 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813109959 941334163 /nfs/dbraw/zinc/33/41/63/941334163.db2.gz QOGXPGRUEOKWDO-LBPRGKRZSA-N 0 3 370.427 1.442 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[N+](=O)[O-] ZINC000813114007 941335835 /nfs/dbraw/zinc/33/58/35/941335835.db2.gz XUSDILLMEBFOBD-GHMZBOCLSA-N 0 3 350.327 1.019 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000815040181 941768588 /nfs/dbraw/zinc/76/85/88/941768588.db2.gz ZJKOMHYSTOILRS-DTORHVGOSA-N 0 3 363.798 1.569 20 5 FDBDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625612 941922528 /nfs/dbraw/zinc/92/25/28/941922528.db2.gz HZKKGVAECOUWBV-WCQYABFASA-N 0 3 371.463 1.098 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c(F)ccc1[N+](=O)[O-] ZINC000815705675 941945648 /nfs/dbraw/zinc/94/56/48/941945648.db2.gz VJVPFOUMCAEWOO-ZWNOBZJWSA-N 0 3 350.350 1.143 20 5 FDBDHN Nc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001135428233 942076155 /nfs/dbraw/zinc/07/61/55/942076155.db2.gz MQTWWTXYIHWDNF-UHFFFAOYSA-N 0 3 355.398 1.966 20 5 FDBDHN CN(C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001135659274 942291322 /nfs/dbraw/zinc/29/13/22/942291322.db2.gz IASCXIXOQYJXJF-UHFFFAOYSA-N 0 3 355.416 1.165 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(N3CCOCC3)nc2)c1 ZINC000818944415 943355569 /nfs/dbraw/zinc/35/55/69/943355569.db2.gz KZXVTXMMSDRZMG-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccnc2N2CCOCC2)cc1 ZINC000818949292 943359852 /nfs/dbraw/zinc/35/98/52/943359852.db2.gz KKVAQPCLGGQEFY-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN CC(C)(C)S(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819059568 943399787 /nfs/dbraw/zinc/39/97/87/943399787.db2.gz ALJUWRBTTPQKND-GFCCVEGCSA-N 0 3 360.432 1.137 20 5 FDBDHN Cn1ccnc1CN1CCC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819221977 943494105 /nfs/dbraw/zinc/49/41/05/943494105.db2.gz KMMGUVVAKHLTRT-CVEARBPZSA-N 0 3 373.413 1.143 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308054 943512202 /nfs/dbraw/zinc/51/22/02/943512202.db2.gz NBMWRTBEHWXAAO-LSDHHAIUSA-N 0 3 357.432 1.032 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000819309072 943512935 /nfs/dbraw/zinc/51/29/35/943512935.db2.gz KDYOQZLGTHXFKK-UONOGXRCSA-N 0 3 363.336 1.481 20 5 FDBDHN CCN1CCN(c2ccc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000819395684 943550950 /nfs/dbraw/zinc/55/09/50/943550950.db2.gz QPSPUTIMRXMWJO-GOSISDBHSA-N 0 3 374.445 1.406 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCCN2CCN(C)CC2)c1F ZINC000821842126 944701304 /nfs/dbraw/zinc/70/13/04/944701304.db2.gz IOMALSOTQQYQDL-UHFFFAOYSA-N 0 3 370.400 1.939 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000821917588 944759736 /nfs/dbraw/zinc/75/97/36/944759736.db2.gz GEOQXHMZWVUUOR-UHFFFAOYSA-N 0 3 370.400 1.939 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823565654 945852345 /nfs/dbraw/zinc/85/23/45/945852345.db2.gz AZDOINJFNSRKCO-DAXOMENPSA-N 0 3 360.414 1.277 20 5 FDBDHN CN(C)CCN1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1=O ZINC000844719239 948327392 /nfs/dbraw/zinc/32/73/92/948327392.db2.gz JWYLYSMKITVNIA-UHFFFAOYSA-N 0 3 372.429 1.122 20 5 FDBDHN CC([C@@H](OC(=O)CCCN1C(=O)CNC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872718 950042207 /nfs/dbraw/zinc/04/22/07/950042207.db2.gz MRJRLBAEBXLCQY-MEBBXXQBSA-N 0 3 367.333 1.407 20 5 FDBDHN CCNC(=O)CN(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010537 961883552 /nfs/dbraw/zinc/88/35/52/961883552.db2.gz UQLJWOGDYRPWGF-UHFFFAOYSA-N 0 3 356.373 1.910 20 5 FDBDHN O=c1[nH]ccn2c(CN[C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001183866306 963339154 /nfs/dbraw/zinc/33/91/54/963339154.db2.gz ZIYXONKIOGUBBE-TZMCWYRMSA-N 0 3 368.397 1.827 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008882 964625031 /nfs/dbraw/zinc/62/50/31/964625031.db2.gz UGQXLTGNATVXOA-NSHDSACASA-N 0 3 351.428 1.910 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000852569787 967431499 /nfs/dbraw/zinc/43/14/99/967431499.db2.gz JSHALGGGOJVWEX-UHFFFAOYSA-N 0 3 368.390 1.562 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC001198270528 972974991 /nfs/dbraw/zinc/97/49/91/972974991.db2.gz MPCSKIREBXAYOG-AWEZNQCLSA-N 0 3 365.386 1.769 20 5 FDBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000867864329 977000104 /nfs/dbraw/zinc/00/01/04/977000104.db2.gz VXPQQNFQGKVKOV-UHFFFAOYSA-N 0 3 370.475 1.978 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CC2)COCCO3)c1 ZINC000880540075 979284464 /nfs/dbraw/zinc/28/44/64/979284464.db2.gz QOSTVJXMAXXPGI-HNNXBMFYSA-N 0 3 352.387 1.216 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882769542 981664836 /nfs/dbraw/zinc/66/48/36/981664836.db2.gz BEHVKDZXYBETCQ-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266033504 984096379 /nfs/dbraw/zinc/09/63/79/984096379.db2.gz DXWICTJYURTVST-UHFFFAOYSA-N 0 3 363.414 1.529 20 5 FDBDHN CN1C2(CCC2)COC[C@]1(CO)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862464082 984396595 /nfs/dbraw/zinc/39/65/95/984396595.db2.gz RVGVYNDEQOIUMW-QGZVFWFLSA-N 0 3 369.849 1.954 20 5 FDBDHN CN(CCO)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000884825405 984838944 /nfs/dbraw/zinc/83/89/44/984838944.db2.gz VILIXKHNLBYRQM-UHFFFAOYSA-N 0 3 358.267 1.980 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCN1C1CCOCC1 ZINC000885865876 985721747 /nfs/dbraw/zinc/72/17/47/985721747.db2.gz NMLHZIYLODRLFO-CYBMUJFWSA-N 0 3 367.377 1.482 20 5 FDBDHN C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036743 987444813 /nfs/dbraw/zinc/44/48/13/987444813.db2.gz VWSSYZLXZLEVDT-LBPRGKRZSA-N 0 3 352.410 1.937 20 5 FDBDHN Nc1c(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575900 987453685 /nfs/dbraw/zinc/45/36/85/987453685.db2.gz TWFRWJLHCXRDET-MNOVXSKESA-N 0 3 369.809 1.815 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363088517 988912863 /nfs/dbraw/zinc/91/28/63/988912863.db2.gz LRLFZFIWVWPIIX-JZLODUJNSA-N 0 3 372.425 1.549 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000369848716 989236910 /nfs/dbraw/zinc/23/69/10/989236910.db2.gz WLEOTFMZLIXSFB-UHFFFAOYSA-N 0 3 365.386 1.508 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000363955226 989467086 /nfs/dbraw/zinc/46/70/86/989467086.db2.gz ZEILPPXAEJRJMA-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000874847496 990575899 /nfs/dbraw/zinc/57/58/99/990575899.db2.gz PDTVWYANBTWDKY-UONOGXRCSA-N 0 3 374.397 1.015 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@]1(CO)CCc2ccccc21 ZINC000371746321 990682373 /nfs/dbraw/zinc/68/23/73/990682373.db2.gz IIPCEDQZWHVPQH-BEFAXECRSA-N 0 3 358.394 1.758 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000876471070 992628560 /nfs/dbraw/zinc/62/85/60/992628560.db2.gz AROPZPJJZKNXAQ-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000880026441 995562399 /nfs/dbraw/zinc/56/23/99/995562399.db2.gz MKHLBMZSZHZUSU-SUMWQHHRSA-N 0 3 365.434 1.980 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](N2CCCC2=O)C1 ZINC000270839013 999623042 /nfs/dbraw/zinc/62/30/42/999623042.db2.gz DTDMZWDFLWPLEM-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN CCOc1ccc([C@H](COC)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284848424 999872907 /nfs/dbraw/zinc/87/29/07/999872907.db2.gz TVXGSKLEFQEMDG-WBVHZDCISA-N 0 3 364.402 1.528 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261830 1005724583 /nfs/dbraw/zinc/72/45/83/1005724583.db2.gz SIHIIHYJHHPQLR-CABCVRRESA-N 0 3 362.430 1.373 20 5 FDBDHN CC(C)c1noc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000963786676 1012693596 /nfs/dbraw/zinc/69/35/96/1012693596.db2.gz FMFCGMQPTWVNBW-UETSVZEDSA-N 0 3 363.418 1.375 20 5 FDBDHN NC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237805890 178331508 /nfs/dbraw/zinc/33/15/08/178331508.db2.gz KZOIVQSYJFHYHI-INIZCTEOSA-N 0 3 354.410 1.986 20 5 FDBDHN CS(=O)(=O)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000517025949 539343020 /nfs/dbraw/zinc/34/30/20/539343020.db2.gz VNQZNMZBOFVZET-UHFFFAOYSA-N 0 3 355.416 1.480 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N(CCOC)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000264190757 179044902 /nfs/dbraw/zinc/04/49/02/179044902.db2.gz ONZLDPFZHYSDNF-UHFFFAOYSA-N 0 3 367.402 1.422 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264617269 179149336 /nfs/dbraw/zinc/14/93/36/179149336.db2.gz QWEYDDVMKGOHHC-GFCCVEGCSA-N 0 3 354.432 1.307 20 5 FDBDHN O=C1C[C@@H](N2CC[C@H](N3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000264633727 179153832 /nfs/dbraw/zinc/15/38/32/179153832.db2.gz UPASXOFCMLFVNG-DLBZAZTESA-N 0 3 372.425 1.787 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000522443271 539564492 /nfs/dbraw/zinc/56/44/92/539564492.db2.gz XOSNIULKXXGOCI-AWEZNQCLSA-N 0 3 350.419 1.957 20 5 FDBDHN CN(C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264945452 179247889 /nfs/dbraw/zinc/24/78/89/179247889.db2.gz JKOIUYNOUFHWSC-JTQLQIEISA-N 0 3 363.386 1.979 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265166681 179303389 /nfs/dbraw/zinc/30/33/89/179303389.db2.gz ACYFAEKOEYKSDG-LBPRGKRZSA-N 0 3 356.448 1.281 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269383587 180290096 /nfs/dbraw/zinc/29/00/96/180290096.db2.gz JZLDVBPPRVRYOL-LBPRGKRZSA-N 0 3 352.439 1.055 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000273038893 180850788 /nfs/dbraw/zinc/85/07/88/180850788.db2.gz HCPVQQMMWITVNQ-INIZCTEOSA-N 0 3 374.441 1.720 20 5 FDBDHN CS[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274130437 181030815 /nfs/dbraw/zinc/03/08/15/181030815.db2.gz WDAHTRUEKCWDGV-CVEARBPZSA-N 0 3 364.471 1.705 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934262338 781932860 /nfs/dbraw/zinc/93/28/60/781932860.db2.gz WMNTVBJTGVLGCS-KBRIMQKVSA-N 0 3 362.430 1.453 20 5 FDBDHN CCOC(=O)CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274840122 181174197 /nfs/dbraw/zinc/17/41/97/181174197.db2.gz OIWYTUYXUMJYAO-UHFFFAOYSA-N 0 3 361.402 1.936 20 5 FDBDHN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397628 540159600 /nfs/dbraw/zinc/15/96/00/540159600.db2.gz IIZMYMUVABYIQL-AWEZNQCLSA-N 0 3 362.411 1.855 20 5 FDBDHN CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1F ZINC000532397417 540159607 /nfs/dbraw/zinc/15/96/07/540159607.db2.gz KLNHHDRUCQCLRO-UHFFFAOYSA-N 0 3 354.319 1.753 20 5 FDBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N1CCCC1 ZINC000275101703 181238929 /nfs/dbraw/zinc/23/89/29/181238929.db2.gz KAFKACHNCSFLLK-NEPJUHHUSA-N 0 3 353.448 1.289 20 5 FDBDHN CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275262226 181274140 /nfs/dbraw/zinc/27/41/40/181274140.db2.gz JWTGFNQAJNCUIW-KGLIPLIRSA-N 0 3 350.444 1.829 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COC[C@@H]3CCCO3)C2)nc1 ZINC000533378370 540240138 /nfs/dbraw/zinc/24/01/38/540240138.db2.gz IBSXNHLAVWBGTR-KBMXLJTQSA-N 0 3 366.418 1.033 20 5 FDBDHN Cc1sc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000533801161 540288703 /nfs/dbraw/zinc/28/87/03/540288703.db2.gz FSHMBCLVNBNEEM-UHFFFAOYSA-N 0 3 350.400 1.940 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000536234846 540570431 /nfs/dbraw/zinc/57/04/31/540570431.db2.gz UUWRRVURGXKMCK-QGZVFWFLSA-N 0 3 364.446 1.529 20 5 FDBDHN CC(C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000539339456 540948849 /nfs/dbraw/zinc/94/88/49/540948849.db2.gz ZUETYOBSTAZJHV-NEPJUHHUSA-N 0 3 370.427 1.754 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000545485043 541984433 /nfs/dbraw/zinc/98/44/33/541984433.db2.gz BBVHTWREJSIBRV-AWEZNQCLSA-N 0 3 360.414 1.899 20 5 FDBDHN COCCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000286225819 183018361 /nfs/dbraw/zinc/01/83/61/183018361.db2.gz HEBGYPDDTPMKPI-UHFFFAOYSA-N 0 3 351.403 1.848 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000546569154 542165998 /nfs/dbraw/zinc/16/59/98/542165998.db2.gz ANNRIJRAZYNMOC-NRFANRHFSA-N 0 3 365.433 1.338 20 5 FDBDHN COc1ccc(CSCC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000546588088 542173818 /nfs/dbraw/zinc/17/38/18/542173818.db2.gz GMTZDTORPPMJRC-INIZCTEOSA-N 0 3 369.443 1.019 20 5 FDBDHN O=C([C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287392867 183280624 /nfs/dbraw/zinc/28/06/24/183280624.db2.gz NNWBLOBQFYYLNU-ZBFHGGJFSA-N 0 3 363.414 1.279 20 5 FDBDHN O=C([C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287306073 183257753 /nfs/dbraw/zinc/25/77/53/183257753.db2.gz JGVONXMJLDGTEU-CABCVRRESA-N 0 3 363.414 1.279 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295439765 184071502 /nfs/dbraw/zinc/07/15/02/184071502.db2.gz WODDMYKTGXOBKU-YOGCLGLASA-N 0 3 357.407 1.946 20 5 FDBDHN Cc1cc(OCC(=O)N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295397802 184066751 /nfs/dbraw/zinc/06/67/51/184066751.db2.gz IEWDVJOXVVAAHU-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN CC[C@@H](CO)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000295631013 184090019 /nfs/dbraw/zinc/09/00/19/184090019.db2.gz XNAJIIUHQQGJJQ-AWEZNQCLSA-N 0 3 373.413 1.514 20 5 FDBDHN CC1(C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCO[C@H]21 ZINC000296260153 184146117 /nfs/dbraw/zinc/14/61/17/184146117.db2.gz OBKAWJBJCINHTB-FWGMWULZSA-N 0 3 363.370 1.665 20 5 FDBDHN Cc1c(C(=O)Nc2ccnn2CCN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000297837433 184339645 /nfs/dbraw/zinc/33/96/45/184339645.db2.gz RBYJWVGOBRCSDM-UHFFFAOYSA-N 0 3 362.346 1.822 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000298037980 184379582 /nfs/dbraw/zinc/37/95/82/184379582.db2.gz SZIREPDTIPRZQE-HNNXBMFYSA-N 0 3 350.419 1.283 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000547764096 542439584 /nfs/dbraw/zinc/43/95/84/542439584.db2.gz VBQZACCOPWIRDC-RYUDHWBXSA-N 0 3 351.407 1.191 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000072797726 172049515 /nfs/dbraw/zinc/04/95/15/172049515.db2.gz ZIVQDRCGJWFBDU-OAHLLOKOSA-N 0 3 364.446 1.620 20 5 FDBDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538774 172267241 /nfs/dbraw/zinc/26/72/41/172267241.db2.gz UHZFYOOVSFUFAE-LLVKDONJSA-N 0 3 353.404 1.050 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000105328776 172404097 /nfs/dbraw/zinc/40/40/97/172404097.db2.gz OGBGHSNJGBBFNS-NVXWUHKLSA-N 0 3 374.441 1.544 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000126069226 173027308 /nfs/dbraw/zinc/02/73/08/173027308.db2.gz NLXVAZPNRRGEGP-ZENOOKHLSA-N 0 3 362.430 1.512 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133554399 173268073 /nfs/dbraw/zinc/26/80/73/173268073.db2.gz XYZJRFKSQHOAAD-QWRGUYRKSA-N 0 3 354.432 1.540 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133554596 173268154 /nfs/dbraw/zinc/26/81/54/173268154.db2.gz XYZJRFKSQHOAAD-GHMZBOCLSA-N 0 3 354.432 1.540 20 5 FDBDHN Cc1ccc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000176215528 174058668 /nfs/dbraw/zinc/05/86/68/174058668.db2.gz UIVZRTMHXQLQBL-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000180647324 258372554 /nfs/dbraw/zinc/37/25/54/258372554.db2.gz QPDUFDKRYCRCFR-CABCVRRESA-N 0 3 362.386 1.664 20 5 FDBDHN C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000174104438 258319057 /nfs/dbraw/zinc/31/90/57/258319057.db2.gz SGHIIEJDZVYRNX-GJZGRUSLSA-N 0 3 363.462 1.839 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245714859 258395921 /nfs/dbraw/zinc/39/59/21/258395921.db2.gz GHRHPFZXVJJWSK-OCCSQVGLSA-N 0 3 361.406 1.027 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000247540392 258399413 /nfs/dbraw/zinc/39/94/13/258399413.db2.gz PCLJECCMNYBLBS-UKRRQHHQSA-N 0 3 371.401 1.075 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000277391079 258472078 /nfs/dbraw/zinc/47/20/78/258472078.db2.gz FVGGFYZXSSBECZ-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000554291537 543776622 /nfs/dbraw/zinc/77/66/22/543776622.db2.gz XTRSXODCJBCPPW-DOTOQJQBSA-N 0 3 365.430 1.573 20 5 FDBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1c[nH]nc1[N+](=O)[O-] ZINC000555309129 543940498 /nfs/dbraw/zinc/94/04/98/543940498.db2.gz ZBLKPHHZWZWOSL-AWEZNQCLSA-N 0 3 359.386 1.339 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000557575419 544311699 /nfs/dbraw/zinc/31/16/99/544311699.db2.gz FYMHMEOXSXZXQA-HNNXBMFYSA-N 0 3 357.414 2.373 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000299517723 259003296 /nfs/dbraw/zinc/00/32/96/259003296.db2.gz CQDJJEOZCHQLEE-DZGCQCFKSA-N 0 3 362.430 1.949 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000299525044 259003886 /nfs/dbraw/zinc/00/38/86/259003886.db2.gz QACGTNQERWXJPR-QGZVFWFLSA-N 0 3 370.409 1.710 20 5 FDBDHN CCOc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301972935 259037008 /nfs/dbraw/zinc/03/70/08/259037008.db2.gz UOUSEOXODHZREZ-MRXNPFEDSA-N 0 3 362.430 1.912 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302699146 259044464 /nfs/dbraw/zinc/04/44/64/259044464.db2.gz WYPFJFVMBZAZIN-ZDUSSCGKSA-N 0 3 374.445 1.929 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000332450171 259267631 /nfs/dbraw/zinc/26/76/31/259267631.db2.gz TXHPGYXQTGPHBI-RBSFLKMASA-N 0 3 362.430 1.620 20 5 FDBDHN COCCCN1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360539313 259434500 /nfs/dbraw/zinc/43/45/00/259434500.db2.gz RWCCEWOZACPUMV-UHFFFAOYSA-N 0 3 364.446 1.891 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367452708 260043973 /nfs/dbraw/zinc/04/39/73/260043973.db2.gz VTRDUXCLMOEECX-GUYCJALGSA-N 0 3 362.386 1.189 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622766 260069163 /nfs/dbraw/zinc/06/91/63/260069163.db2.gz JVXBOJHEQLGJLV-LPHOPBHVSA-N 0 3 362.474 1.588 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000368352471 260170702 /nfs/dbraw/zinc/17/07/02/260170702.db2.gz RXPYZZISJPMGBH-SFHVURJKSA-N 0 3 355.398 1.948 20 5 FDBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000369273528 260329307 /nfs/dbraw/zinc/32/93/07/260329307.db2.gz HGHXNNQJTPORHV-LBPRGKRZSA-N 0 3 350.394 1.632 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369567863 260392802 /nfs/dbraw/zinc/39/28/02/260392802.db2.gz IYDKJSHGMXHJES-LRDDRELGSA-N 0 3 363.443 1.970 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000370264707 260515062 /nfs/dbraw/zinc/51/50/62/260515062.db2.gz CIYKOGGGQFWGBF-BZNIZROVSA-N 0 3 350.394 1.966 20 5 FDBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371269404 260682382 /nfs/dbraw/zinc/68/23/82/260682382.db2.gz TVMSVNFSZGQPSD-MAUKXSAKSA-N 0 3 360.458 1.622 20 5 FDBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000371519553 260721267 /nfs/dbraw/zinc/72/12/67/260721267.db2.gz ZMJCYMNSPGOXOY-GFCCVEGCSA-N 0 3 362.386 1.432 20 5 FDBDHN CN1CC[C@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000374858335 261213008 /nfs/dbraw/zinc/21/30/08/261213008.db2.gz UGWUHWKYDAKXTB-HOCLYGCPSA-N 0 3 353.444 1.493 20 5 FDBDHN CN1CC[C@@H]2CCN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000378456881 262029654 /nfs/dbraw/zinc/02/96/54/262029654.db2.gz UTFGKHXYISSVMF-UHOFOFEASA-N 0 3 358.398 1.253 20 5 FDBDHN CCOC(=O)c1ccnc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000270922030 674286922 /nfs/dbraw/zinc/28/69/22/674286922.db2.gz ATXUOUSJZLBDOR-VXGBXAGGSA-N 0 3 354.432 1.648 20 5 FDBDHN CCOC(=O)c1ccnc(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000270922027 674286927 /nfs/dbraw/zinc/28/69/27/674286927.db2.gz ATXUOUSJZLBDOR-RYUDHWBXSA-N 0 3 354.432 1.648 20 5 FDBDHN O=C(NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000030285173 519356131 /nfs/dbraw/zinc/35/61/31/519356131.db2.gz VTPPJOCXXOOERA-INIZCTEOSA-N 0 3 363.414 1.325 20 5 FDBDHN CCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069118693 521807588 /nfs/dbraw/zinc/80/75/88/521807588.db2.gz DLJZDAKYAUDOIF-UHFFFAOYSA-N 0 3 368.409 1.257 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069505270 521894525 /nfs/dbraw/zinc/89/45/25/521894525.db2.gz HOXRJUOLOKJSML-INIZCTEOSA-N 0 3 373.413 1.621 20 5 FDBDHN CCOc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000061524940 522465965 /nfs/dbraw/zinc/46/59/65/522465965.db2.gz PPGUVLWBBZQCLR-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000064995119 522773092 /nfs/dbraw/zinc/77/30/92/522773092.db2.gz PDCAZLDWFRHUPD-CABCVRRESA-N 0 3 365.430 1.837 20 5 FDBDHN CNC(=O)c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000053572465 523468437 /nfs/dbraw/zinc/46/84/37/523468437.db2.gz PUOCSHMKVHFIPF-UHFFFAOYSA-N 0 3 362.430 1.503 20 5 FDBDHN CCN1CCN(CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067724632 523562341 /nfs/dbraw/zinc/56/23/41/523562341.db2.gz HKOBURHKBJKXQW-UHFFFAOYSA-N 0 3 363.462 1.812 20 5 FDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054981064 523726898 /nfs/dbraw/zinc/72/68/98/523726898.db2.gz GLKSEWBHGBJOJP-NWDGAFQWSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000079982227 523817380 /nfs/dbraw/zinc/81/73/80/523817380.db2.gz PBEGBIJBWJXXJI-CYBMUJFWSA-N 0 3 362.430 1.356 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111581952 524303189 /nfs/dbraw/zinc/30/31/89/524303189.db2.gz HIYPKIXPUDWQCP-UHFFFAOYSA-N 0 3 374.397 1.277 20 5 FDBDHN Cc1cccc(NC(=O)[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157720723 524326822 /nfs/dbraw/zinc/32/68/22/524326822.db2.gz DYHZZVSYEAFZBN-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087249797 524421627 /nfs/dbraw/zinc/42/16/27/524421627.db2.gz UDYRZUBXCOXSOG-QGZVFWFLSA-N 0 3 374.441 1.468 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000112549625 524504446 /nfs/dbraw/zinc/50/44/46/524504446.db2.gz SZYXOXXTBUIXCB-PWSUYJOCSA-N 0 3 374.401 1.435 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000150935390 524506709 /nfs/dbraw/zinc/50/67/09/524506709.db2.gz MXPPWFGSJMCRPB-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCCN(C)C1 ZINC000151200806 524536313 /nfs/dbraw/zinc/53/63/13/524536313.db2.gz PDBKHBOLSIAJDD-OLZOCXBDSA-N 0 3 364.402 1.345 20 5 FDBDHN COc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000158847020 524539040 /nfs/dbraw/zinc/53/90/40/524539040.db2.gz JRQLVFDSOUPDCU-AWEZNQCLSA-N 0 3 359.386 1.893 20 5 FDBDHN O=C(CN1CCN(c2ccncc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000151332326 524555870 /nfs/dbraw/zinc/55/58/70/524555870.db2.gz DYTNKEVNTMRVEV-UHFFFAOYSA-N 0 3 367.409 1.701 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000122674804 524588658 /nfs/dbraw/zinc/58/86/58/524588658.db2.gz KUJZFXMOLXSLGW-OAHLLOKOSA-N 0 3 368.393 1.768 20 5 FDBDHN CCN(C)CCNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000112925567 524600322 /nfs/dbraw/zinc/60/03/22/524600322.db2.gz IYWULJKQLBFWCZ-UHFFFAOYSA-N 0 3 364.431 1.556 20 5 FDBDHN COC(=O)[C@H](C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090559321 524603660 /nfs/dbraw/zinc/60/36/60/524603660.db2.gz RNTMSHMCBSLKHS-DYVFJYSZSA-N 0 3 359.382 1.897 20 5 FDBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655260 524675974 /nfs/dbraw/zinc/67/59/74/524675974.db2.gz UKICMWISRXDCIY-CYBMUJFWSA-N 0 3 356.329 1.886 20 5 FDBDHN CN(CCOc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174694892 524693699 /nfs/dbraw/zinc/69/36/99/524693699.db2.gz LCXVAMWSRUWTOE-AWEZNQCLSA-N 0 3 354.794 1.816 20 5 FDBDHN CC(C)N1CCN(c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000123203600 524701685 /nfs/dbraw/zinc/70/16/85/524701685.db2.gz BQZSMJRHGRSSHD-UHFFFAOYSA-N 0 3 372.429 1.960 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000174719180 524705454 /nfs/dbraw/zinc/70/54/54/524705454.db2.gz SGKCHTPRGNNKCE-QZTJIDSGSA-N 0 3 359.430 1.579 20 5 FDBDHN COC(=O)[C@H](C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152076450 524773117 /nfs/dbraw/zinc/77/31/17/524773117.db2.gz HHSQULLUDGOKRQ-KCXAZCMYSA-N 0 3 362.386 1.292 20 5 FDBDHN COCCN1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000160299382 524854518 /nfs/dbraw/zinc/85/45/18/524854518.db2.gz MLFOSLUZJSATOX-UHFFFAOYSA-N 0 3 360.414 1.846 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC000124179290 524922419 /nfs/dbraw/zinc/92/24/19/524922419.db2.gz DHAQDAVHDBRUOG-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN CCNC(=O)N1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000152657175 524963473 /nfs/dbraw/zinc/96/34/73/524963473.db2.gz VAKHJJYAPGRLNR-HNNXBMFYSA-N 0 3 372.429 1.889 20 5 FDBDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000175776837 525005028 /nfs/dbraw/zinc/00/50/28/525005028.db2.gz NHFFRWXKZUIHHV-HNNXBMFYSA-N 0 3 363.462 1.620 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000124815143 525084156 /nfs/dbraw/zinc/08/41/56/525084156.db2.gz DZZWMHWMMMPUHU-YPMHNXCESA-N 0 3 374.401 1.264 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000153038469 525090055 /nfs/dbraw/zinc/09/00/55/525090055.db2.gz VUUKCRVNJITHSF-QGZVFWFLSA-N 0 3 350.419 1.237 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161420290 525104265 /nfs/dbraw/zinc/10/42/65/525104265.db2.gz IFOHPSVQCWIIIZ-UHFFFAOYSA-N 0 3 371.459 1.140 20 5 FDBDHN CC(C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000161471594 525116581 /nfs/dbraw/zinc/11/65/81/525116581.db2.gz QQBSNRUJFXFWFJ-HNNXBMFYSA-N 0 3 364.446 1.629 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CN1C1CC1 ZINC000128468024 525546349 /nfs/dbraw/zinc/54/63/49/525546349.db2.gz PBLKSJVNAAKXLA-KGLIPLIRSA-N 0 3 374.441 1.786 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)C[C@H](C)O1 ZINC000166107182 525572117 /nfs/dbraw/zinc/57/21/17/525572117.db2.gz XHWUEMHJPVSFMV-STQMWFEESA-N 0 3 365.434 1.290 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000130974715 525813564 /nfs/dbraw/zinc/81/35/64/525813564.db2.gz UZQVPTYZCCHUGH-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000155410249 525856272 /nfs/dbraw/zinc/85/62/72/525856272.db2.gz ZVTJTYPDDOPNBQ-AWEZNQCLSA-N 0 3 372.429 1.918 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000107263194 525856571 /nfs/dbraw/zinc/85/65/71/525856571.db2.gz VROBEFXMTOYABQ-UHFFFAOYSA-N 0 3 357.414 1.992 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000108277482 525945241 /nfs/dbraw/zinc/94/52/41/525945241.db2.gz DXSOHHIMEAKPNS-CQSZACIVSA-N 0 3 351.403 1.591 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171367315 525966859 /nfs/dbraw/zinc/96/68/59/525966859.db2.gz BWOYBLSADZGOSC-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CCN1CCC(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000108447330 525970422 /nfs/dbraw/zinc/97/04/22/525970422.db2.gz OLABEYKKDFMVIU-UHFFFAOYSA-N 0 3 368.821 1.579 20 5 FDBDHN COCCCN1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000171412727 525982265 /nfs/dbraw/zinc/98/22/65/525982265.db2.gz YHZBGEBBYVXAIY-UHFFFAOYSA-N 0 3 350.419 1.624 20 5 FDBDHN O=C(NCCN1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109986254 526213200 /nfs/dbraw/zinc/21/32/00/526213200.db2.gz AKEXQURJVWETHI-ZDUSSCGKSA-N 0 3 364.402 1.395 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000183081507 535915742 /nfs/dbraw/zinc/91/57/42/535915742.db2.gz CDBHABGWVUZSAL-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000183217831 535945673 /nfs/dbraw/zinc/94/56/73/535945673.db2.gz MIBOPCVOZSBKIH-UHFFFAOYSA-N 0 3 355.398 1.966 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000183636662 536018942 /nfs/dbraw/zinc/01/89/42/536018942.db2.gz UVLPEOIJQRWXSS-MRXNPFEDSA-N 0 3 353.444 1.637 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000183663451 536025387 /nfs/dbraw/zinc/02/53/87/536025387.db2.gz JECRHZIVKZBHJU-UHFFFAOYSA-N 0 3 371.459 1.168 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183726231 536037181 /nfs/dbraw/zinc/03/71/81/536037181.db2.gz NACVYFVZPHWABF-CJNGLKHVSA-N 0 3 355.460 1.739 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000183929387 536068887 /nfs/dbraw/zinc/06/88/87/536068887.db2.gz GPPFKBVAQRRCHV-UHFFFAOYSA-N 0 3 374.235 1.710 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186791094 536244417 /nfs/dbraw/zinc/24/44/17/536244417.db2.gz JOECDFATDOURAE-ZDUSSCGKSA-N 0 3 365.434 1.751 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000188083014 536282222 /nfs/dbraw/zinc/28/22/22/536282222.db2.gz BVHCTJOUDDTZBT-GOSISDBHSA-N 0 3 373.413 1.037 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189083924 536994026 /nfs/dbraw/zinc/99/40/26/536994026.db2.gz KOCKGTBRIASDHT-CYBMUJFWSA-N 0 3 368.459 1.568 20 5 FDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000246673514 537001368 /nfs/dbraw/zinc/00/13/68/537001368.db2.gz GOEDEAHRZJUYDJ-GOSISDBHSA-N 0 3 373.457 1.749 20 5 FDBDHN CCOC(=O)C(C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1nc(C)cs1 ZINC000263640658 537048967 /nfs/dbraw/zinc/04/89/67/537048967.db2.gz AXIOQPFMCAOQNZ-LBPRGKRZSA-N 0 3 365.367 1.437 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000189886695 537110474 /nfs/dbraw/zinc/11/04/74/537110474.db2.gz DMNRUWIDVKWRPH-STQMWFEESA-N 0 3 360.414 1.993 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272377241 537277090 /nfs/dbraw/zinc/27/70/90/537277090.db2.gz VOVDVPGRJXAYEN-UHFFFAOYSA-N 0 3 361.345 1.894 20 5 FDBDHN Cc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000363712513 537293099 /nfs/dbraw/zinc/29/30/99/537293099.db2.gz UJRKWEXIMZMNIZ-HNNXBMFYSA-N 0 3 360.414 1.458 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272687870 537321611 /nfs/dbraw/zinc/32/16/11/537321611.db2.gz WMYSFTMNAJYPOT-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000276205490 537328402 /nfs/dbraw/zinc/32/84/02/537328402.db2.gz ZLCRKXMCAVWZDQ-YPMHNXCESA-N 0 3 364.402 1.483 20 5 FDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000270878885 537388434 /nfs/dbraw/zinc/38/84/34/537388434.db2.gz PCLBGALBFMDTRB-CABCVRRESA-N 0 3 373.413 1.239 20 5 FDBDHN CN(C[C@H](O)Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000293439962 537461964 /nfs/dbraw/zinc/46/19/64/537461964.db2.gz VAIQNVCVCVQNCT-MSOLQXFVSA-N 0 3 360.410 1.870 20 5 FDBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000273930029 537515519 /nfs/dbraw/zinc/51/55/19/537515519.db2.gz CEWRZWHINISASI-NEPJUHHUSA-N 0 3 350.375 1.176 20 5 FDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000272131764 537530095 /nfs/dbraw/zinc/53/00/95/537530095.db2.gz BVLOCYWMGBIBGJ-CYBMUJFWSA-N 0 3 363.414 1.975 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)CC1 ZINC000276484058 537539563 /nfs/dbraw/zinc/53/95/63/537539563.db2.gz GMIFHTZSZQLJQV-UHFFFAOYSA-N 0 3 361.446 1.277 20 5 FDBDHN CN1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281782462 537581525 /nfs/dbraw/zinc/58/15/25/537581525.db2.gz NFGGHHJBQAZSFJ-UHFFFAOYSA-N 0 3 350.419 1.116 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000281947850 537598635 /nfs/dbraw/zinc/59/86/35/537598635.db2.gz AHHMVEMUJQHATL-UHFFFAOYSA-N 0 3 364.377 1.724 20 5 FDBDHN CN(C)S(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290097671 537670247 /nfs/dbraw/zinc/67/02/47/537670247.db2.gz HUONMOBKTXTKPY-HIFRSBDPSA-N 0 3 355.460 1.787 20 5 FDBDHN CN1CCC(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000294425898 537694048 /nfs/dbraw/zinc/69/40/48/537694048.db2.gz FVSXXOSBQWLJJK-UHFFFAOYSA-N 0 3 360.414 1.221 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292322051 537727621 /nfs/dbraw/zinc/72/76/21/537727621.db2.gz SZPKZKPMDFAIOK-SFHVURJKSA-N 0 3 361.398 1.939 20 5 FDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]12 ZINC000366547728 537779494 /nfs/dbraw/zinc/77/94/94/537779494.db2.gz BJRJOXBFORCVLT-GXTWGEPZSA-N 0 3 355.350 1.949 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416361079 537817402 /nfs/dbraw/zinc/81/74/02/537817402.db2.gz MCBAXIPRLHVSCR-UHFFFAOYSA-N 0 3 359.404 1.002 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000416559847 537885155 /nfs/dbraw/zinc/88/51/55/537885155.db2.gz KQZCYMDONRIZLG-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415425286 538042632 /nfs/dbraw/zinc/04/26/32/538042632.db2.gz KLZOGYCFLNMOQI-CQSZACIVSA-N 0 3 352.366 1.696 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369777332 538065212 /nfs/dbraw/zinc/06/52/12/538065212.db2.gz ISBLVBXXOUFVDD-CJNGLKHVSA-N 0 3 361.446 1.275 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000450407549 538124461 /nfs/dbraw/zinc/12/44/61/538124461.db2.gz TZOBRJGTOOZYRG-INIZCTEOSA-N 0 3 357.414 1.691 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000427687523 538228086 /nfs/dbraw/zinc/22/80/86/538228086.db2.gz WHMXVTAPCJZXHI-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(CC(F)(F)F)CC1 ZINC000452031019 538351876 /nfs/dbraw/zinc/35/18/76/538351876.db2.gz JEZZMRUYBQYFOR-UHFFFAOYSA-N 0 3 362.352 1.715 20 5 FDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447236511 538359718 /nfs/dbraw/zinc/35/97/18/538359718.db2.gz DGYGUNJOUUTTCE-ZETCQYMHSA-N 0 3 352.210 1.230 20 5 FDBDHN C[C@H]1C[C@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420973095 538367920 /nfs/dbraw/zinc/36/79/20/538367920.db2.gz LWKYHIAOFMEZNX-UONOGXRCSA-N 0 3 371.459 1.620 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425041195 538371387 /nfs/dbraw/zinc/37/13/87/538371387.db2.gz BJXKQWSDGPFNIR-GOEBONIOSA-N 0 3 360.414 1.186 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000461097610 538502524 /nfs/dbraw/zinc/50/25/24/538502524.db2.gz ZCLCFAGAVBVLOB-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000495697644 538681414 /nfs/dbraw/zinc/68/14/14/538681414.db2.gz VRPFGKWYDQSECW-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN COC(=O)C[C@@]1(NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000464601810 538700116 /nfs/dbraw/zinc/70/01/16/538700116.db2.gz IXLQWPMAVHPLRX-KRWDZBQOSA-N 0 3 365.386 1.544 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000474343235 538834785 /nfs/dbraw/zinc/83/47/85/538834785.db2.gz BRMPYZOGWBTLIM-JSGCOSHPSA-N 0 3 363.414 1.861 20 5 FDBDHN C[C@@H]1OCC[C@@]1(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000562503573 546160033 /nfs/dbraw/zinc/16/00/33/546160033.db2.gz RRXUQRRQABESIW-MAUKXSAKSA-N 0 3 360.414 1.833 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000562512950 546163097 /nfs/dbraw/zinc/16/30/97/546163097.db2.gz DMQPXFKBNLHROB-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564148332 546822791 /nfs/dbraw/zinc/82/27/91/546822791.db2.gz PXWYFYIMIZKKDB-LBPRGKRZSA-N 0 3 370.400 1.558 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000564956835 547127695 /nfs/dbraw/zinc/12/76/95/547127695.db2.gz WINDPYIHGUCURT-ZDUSSCGKSA-N 0 3 360.374 1.131 20 5 FDBDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000565215358 547258673 /nfs/dbraw/zinc/25/86/73/547258673.db2.gz HMNFPMVLRUMPSV-RKVPGOIHSA-N 0 3 355.398 1.925 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000569363049 548891316 /nfs/dbraw/zinc/89/13/16/548891316.db2.gz XVVGQLKYDFYPOB-RDJZCZTQSA-N 0 3 364.373 1.667 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2OCC(F)(F)F)c1 ZINC000569540949 548953924 /nfs/dbraw/zinc/95/39/24/548953924.db2.gz AODMMCIVEIXBMH-CYBMUJFWSA-N 0 3 374.319 1.883 20 5 FDBDHN COCC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC[NH2+]CC1 ZINC000570923275 549461756 /nfs/dbraw/zinc/46/17/56/549461756.db2.gz JHZPXQWVHMXCEG-UHFFFAOYSA-N 0 3 359.386 1.940 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000571158487 549546342 /nfs/dbraw/zinc/54/63/42/549546342.db2.gz KCXURAURLOKVTQ-XJKSGUPXSA-N 0 3 370.427 1.296 20 5 FDBDHN CC(C)N1CC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000571494075 549664451 /nfs/dbraw/zinc/66/44/51/549664451.db2.gz QMKOHRGEESQLSB-GFCCVEGCSA-N 0 3 356.448 1.740 20 5 FDBDHN CN(C)C(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571552478 549688143 /nfs/dbraw/zinc/68/81/43/549688143.db2.gz WLURCLXXUHLMLY-HNNXBMFYSA-N 0 3 362.390 1.036 20 5 FDBDHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627963 549711905 /nfs/dbraw/zinc/71/19/05/549711905.db2.gz LWXPYXMXWAZLSS-WBVHZDCISA-N 0 3 374.441 1.463 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@]1(O)CN2CCC1CC2 ZINC000572899179 550020408 /nfs/dbraw/zinc/02/04/08/550020408.db2.gz VQTDUVAMZFGJMT-GOSISDBHSA-N 0 3 358.398 1.122 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000575069317 550420656 /nfs/dbraw/zinc/42/06/56/550420656.db2.gz VOAYKWBDNOMWED-IAGOWNOFSA-N 0 3 365.430 1.131 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000575311123 550451395 /nfs/dbraw/zinc/45/13/95/550451395.db2.gz YLISVHLDGBUVFN-LBPRGKRZSA-N 0 3 360.374 1.131 20 5 FDBDHN CNc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000576821907 550589781 /nfs/dbraw/zinc/58/97/81/550589781.db2.gz HUHRYEKPQJZYMA-UHFFFAOYSA-N 0 3 356.386 1.693 20 5 FDBDHN CO[C@@H]1COCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577098991 550620706 /nfs/dbraw/zinc/62/07/06/550620706.db2.gz QWDCLKVZWMHXJW-SWLSCSKDSA-N 0 3 358.416 1.010 20 5 FDBDHN COC(=O)c1cc(C(=O)NC[C@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000577848327 550701414 /nfs/dbraw/zinc/70/14/14/550701414.db2.gz NXFKVSMQJVHLSN-QGZVFWFLSA-N 0 3 369.377 1.998 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000578201575 550738674 /nfs/dbraw/zinc/73/86/74/550738674.db2.gz AKZJHNCBSFGXNH-WFASDCNBSA-N 0 3 374.376 1.828 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000581021510 551044009 /nfs/dbraw/zinc/04/40/09/551044009.db2.gz SZKOSTCLZFOEOK-VXGBXAGGSA-N 0 3 351.432 1.224 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2OC(F)(F)F)c1 ZINC000581922742 551150382 /nfs/dbraw/zinc/15/03/82/551150382.db2.gz WIFGGZGFPGTHFL-GFCCVEGCSA-N 0 3 360.292 1.841 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000583507102 551362639 /nfs/dbraw/zinc/36/26/39/551362639.db2.gz VXIFZUFNMRYKLW-UHFFFAOYSA-N 0 3 366.381 1.839 20 5 FDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584182225 551460501 /nfs/dbraw/zinc/46/05/01/551460501.db2.gz UQVCTGRYFHSULD-KBPBESRZSA-N 0 3 353.444 1.844 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584688627 551529684 /nfs/dbraw/zinc/52/96/84/551529684.db2.gz YYLXOIFZYVBXEI-STQMWFEESA-N 0 3 372.219 1.413 20 5 FDBDHN Cc1cc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000588825681 551691023 /nfs/dbraw/zinc/69/10/23/551691023.db2.gz IBBOMISJAGFEGJ-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588864034 551694761 /nfs/dbraw/zinc/69/47/61/551694761.db2.gz WYJZFSPDOKYHHK-LSDHHAIUSA-N 0 3 360.414 1.450 20 5 FDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000590004189 551756262 /nfs/dbraw/zinc/75/62/62/551756262.db2.gz IXSXSPQBBVOYRL-AWEZNQCLSA-N 0 3 357.432 1.329 20 5 FDBDHN Cc1nn(CCC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000590398889 551780265 /nfs/dbraw/zinc/78/02/65/551780265.db2.gz BRNITEPPYSQEBS-GJZGRUSLSA-N 0 3 365.434 1.120 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)[C@@H]2C1 ZINC000590442874 551784775 /nfs/dbraw/zinc/78/47/75/551784775.db2.gz HOBAHEWYJHVXMQ-ZWNOBZJWSA-N 0 3 374.426 1.640 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)[C@H]2C1 ZINC000590445807 551785162 /nfs/dbraw/zinc/78/51/62/551785162.db2.gz SUBOATBXHWTXQL-CJNGLKHVSA-N 0 3 360.414 1.208 20 5 FDBDHN Cn1nc2c(c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000591768756 551907353 /nfs/dbraw/zinc/90/73/53/551907353.db2.gz MOCKBQRCSPMAKZ-AWEZNQCLSA-N 0 3 360.414 1.737 20 5 FDBDHN Cc1c(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000591971488 551922123 /nfs/dbraw/zinc/92/21/23/551922123.db2.gz ZYTAOQLINVIQCS-ZDUSSCGKSA-N 0 3 363.418 1.165 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242303 551966023 /nfs/dbraw/zinc/96/60/23/551966023.db2.gz RIYUAOQGMNQTTH-QWHCGFSZSA-N 0 3 352.439 1.284 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000592899477 552040619 /nfs/dbraw/zinc/04/06/19/552040619.db2.gz SVTTUVFRMNGHSK-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594246175 552270122 /nfs/dbraw/zinc/27/01/22/552270122.db2.gz NDXQFXPPWKAPDB-TZMCWYRMSA-N 0 3 355.398 2.137 20 5 FDBDHN CCC(C)(C)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389490 552301497 /nfs/dbraw/zinc/30/14/97/552301497.db2.gz JYAVMXOBUCUPCX-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN CC(C)Oc1nc(N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000594585522 552337875 /nfs/dbraw/zinc/33/78/75/552337875.db2.gz AGEXKEJFNNEERB-GFCCVEGCSA-N 0 3 351.407 1.333 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594597002 552338958 /nfs/dbraw/zinc/33/89/58/552338958.db2.gz BWLVRHWAIMGRBN-OCCSQVGLSA-N 0 3 354.432 1.671 20 5 FDBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594760045 552373965 /nfs/dbraw/zinc/37/39/65/552373965.db2.gz RIGAMWOWYZOINC-NSHDSACASA-N 0 3 352.416 1.762 20 5 FDBDHN COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([N+](=O)[O-])cc1[O-] ZINC000594994126 552434491 /nfs/dbraw/zinc/43/44/91/552434491.db2.gz CCYLTCXHZWCHIK-KRWDZBQOSA-N 0 3 354.403 1.966 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595104366 552451379 /nfs/dbraw/zinc/45/13/79/552451379.db2.gz PLZCPLRVOYMLMU-QWHCGFSZSA-N 0 3 356.448 1.832 20 5 FDBDHN O=C(C[C@@H]1NCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595254517 552505861 /nfs/dbraw/zinc/50/58/61/552505861.db2.gz YKZKESCFGGGDER-KRWDZBQOSA-N 0 3 367.409 1.873 20 5 FDBDHN O=C(C[C@H]1NCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595254518 552506150 /nfs/dbraw/zinc/50/61/50/552506150.db2.gz YKZKESCFGGGDER-QGZVFWFLSA-N 0 3 367.409 1.873 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595546564 552581822 /nfs/dbraw/zinc/58/18/22/552581822.db2.gz OXXDUQRAKZKVHP-BTTYYORXSA-N 0 3 353.444 1.851 20 5 FDBDHN COC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000595616452 552593494 /nfs/dbraw/zinc/59/34/94/552593494.db2.gz NVTXWGAAARBLQC-OAHLLOKOSA-N 0 3 352.387 1.913 20 5 FDBDHN C[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596050639 552649783 /nfs/dbraw/zinc/64/97/83/552649783.db2.gz MICCGSOZSGUTFI-NSHDSACASA-N 0 3 364.221 1.388 20 5 FDBDHN Cc1cc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000596049529 552649811 /nfs/dbraw/zinc/64/98/11/552649811.db2.gz FNFKNXSYFXKRFM-LLVKDONJSA-N 0 3 355.338 1.722 20 5 FDBDHN C[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048851 552649851 /nfs/dbraw/zinc/64/98/51/552649851.db2.gz DTKJYEXIHARTKF-NSHDSACASA-N 0 3 353.322 1.644 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596051889 552650148 /nfs/dbraw/zinc/65/01/48/552650148.db2.gz QPTGRYPAUSOZNL-JTQLQIEISA-N 0 3 357.310 1.114 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(C)CC1 ZINC000596061207 552651271 /nfs/dbraw/zinc/65/12/71/552651271.db2.gz GTADQCWAVLTOTK-UHFFFAOYSA-N 0 3 356.448 1.789 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596122853 552657417 /nfs/dbraw/zinc/65/74/17/552657417.db2.gz UWFLAHSQMRJGTI-UHFFFAOYSA-N 0 3 363.418 1.048 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596487551 552683400 /nfs/dbraw/zinc/68/34/00/552683400.db2.gz HGUARENVLPDBSY-LBPRGKRZSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596487936 552683406 /nfs/dbraw/zinc/68/34/06/552683406.db2.gz LZSSOROOVBIHKS-LBPRGKRZSA-N 0 3 356.448 1.775 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596624012 552694802 /nfs/dbraw/zinc/69/48/02/552694802.db2.gz DMVLFQFARMRHBO-UHFFFAOYSA-N 0 3 367.406 1.087 20 5 FDBDHN Nc1c(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093887 552746067 /nfs/dbraw/zinc/74/60/67/552746067.db2.gz ZJUWOZYVDHURKD-LLVKDONJSA-N 0 3 371.825 1.799 20 5 FDBDHN Cc1c(Br)cc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597655049 552818385 /nfs/dbraw/zinc/81/83/85/552818385.db2.gz XWOVDUSRGOCJLW-SNVBAGLBSA-N 0 3 360.208 1.318 20 5 FDBDHN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCN(CC)C1 ZINC000598043886 552860055 /nfs/dbraw/zinc/86/00/55/552860055.db2.gz XGILXLJADXGTMT-GFCCVEGCSA-N 0 3 374.397 1.134 20 5 FDBDHN Cc1n[nH]c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598062655 552862121 /nfs/dbraw/zinc/86/21/21/552862121.db2.gz SIXJCWBPEAQNAQ-UHFFFAOYSA-N 0 3 358.402 1.663 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598341443 552886980 /nfs/dbraw/zinc/88/69/80/552886980.db2.gz BNLXAYRJGBZFBI-OLZOCXBDSA-N 0 3 364.402 1.393 20 5 FDBDHN CCCN1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598588299 552911813 /nfs/dbraw/zinc/91/18/13/552911813.db2.gz HXUAHSKHTJVGBB-UHFFFAOYSA-N 0 3 350.423 1.508 20 5 FDBDHN CCN1CCCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596640 552913167 /nfs/dbraw/zinc/91/31/67/552913167.db2.gz QXLCQNPDUPTYCA-CYBMUJFWSA-N 0 3 350.423 1.508 20 5 FDBDHN Cc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000598601390 552913628 /nfs/dbraw/zinc/91/36/28/552913628.db2.gz KBNRWDOWCLSQCS-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN Nc1nn2c(nc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2=O)[nH]1 ZINC000598620219 552916712 /nfs/dbraw/zinc/91/67/12/552916712.db2.gz JVLPWPBDFSDXIV-LBPRGKRZSA-N 0 3 369.385 1.118 20 5 FDBDHN Nc1nn2c([n-]1)nc(C[N@@H+]1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)cc2=O ZINC000598620219 552916713 /nfs/dbraw/zinc/91/67/13/552916713.db2.gz JVLPWPBDFSDXIV-LBPRGKRZSA-N 0 3 369.385 1.118 20 5 FDBDHN Nc1nn2c([n-]1)nc(C[N@H+]1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)cc2=O ZINC000598620219 552916714 /nfs/dbraw/zinc/91/67/14/552916714.db2.gz JVLPWPBDFSDXIV-LBPRGKRZSA-N 0 3 369.385 1.118 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598624803 552917278 /nfs/dbraw/zinc/91/72/78/552917278.db2.gz HNADOXMVWISEQU-KBPBESRZSA-N 0 3 362.434 1.284 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCCN3CCCC[C@H]23)ncnc1N1CCOCC1 ZINC000598629662 552918211 /nfs/dbraw/zinc/91/82/11/552918211.db2.gz ANHKJBYZWXJBHB-ZIAGYGMSSA-N 0 3 362.434 1.650 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896523 552940909 /nfs/dbraw/zinc/94/09/09/552940909.db2.gz KDVWGYAXRFELCT-UHFFFAOYSA-N 0 3 363.418 1.517 20 5 FDBDHN CCCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000598905174 552942952 /nfs/dbraw/zinc/94/29/52/552942952.db2.gz BKIJEDLIOBZLKP-OAHLLOKOSA-N 0 3 363.418 1.659 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939049 553179033 /nfs/dbraw/zinc/17/90/33/553179033.db2.gz GEQMZLTZXQQCRM-CABCVRRESA-N 0 3 363.414 1.663 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105090 553219150 /nfs/dbraw/zinc/21/91/50/553219150.db2.gz FMXTZIFXYJRYMM-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCN2C2CCCC2)cc1 ZINC000600755290 553311517 /nfs/dbraw/zinc/31/15/17/553311517.db2.gz JDBVZZSRLSSSNJ-INIZCTEOSA-N 0 3 367.471 1.975 20 5 FDBDHN O=C([C@@H]1CCN1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602160031 553531467 /nfs/dbraw/zinc/53/14/67/553531467.db2.gz VLWBMJZKNCRSFG-INIZCTEOSA-N 0 3 359.430 1.655 20 5 FDBDHN Cn1ccnc1CN1CCC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000602600806 553610696 /nfs/dbraw/zinc/61/06/96/553610696.db2.gz HRGITUYSVMTTMG-MRXNPFEDSA-N 0 3 357.414 1.652 20 5 FDBDHN CCN(CCO)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602619745 553612735 /nfs/dbraw/zinc/61/27/35/553612735.db2.gz QKRKLQVOXGTAIV-UHFFFAOYSA-N 0 3 352.254 1.823 20 5 FDBDHN COC[C@]1(C(=O)OC(C)(C)C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602961367 553680856 /nfs/dbraw/zinc/68/08/56/553680856.db2.gz OLAPGOJDVUYLLU-INIZCTEOSA-N 0 3 354.407 1.472 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000609160405 554345212 /nfs/dbraw/zinc/34/52/12/554345212.db2.gz BHSFSBCRRAZGQU-VIFPVBQESA-N 0 3 359.329 1.886 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000609347424 554370574 /nfs/dbraw/zinc/37/05/74/554370574.db2.gz HPTMICYDSPMHPH-CQSZACIVSA-N 0 3 373.413 1.446 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H](N3CCCCC3)C2)c1 ZINC000609350969 554371514 /nfs/dbraw/zinc/37/15/14/554371514.db2.gz YRNNCPAKNPGGDO-LBPRGKRZSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609354991 554371836 /nfs/dbraw/zinc/37/18/36/554371836.db2.gz WIQVLCPGOODIJI-ZIAGYGMSSA-N 0 3 362.430 1.704 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609382782 554372845 /nfs/dbraw/zinc/37/28/45/554372845.db2.gz DKKYUNVOITTWPZ-CQSZACIVSA-N 0 3 355.398 1.995 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)C1 ZINC000609664641 554409000 /nfs/dbraw/zinc/40/90/00/554409000.db2.gz DKKGQNJDJMUZRN-OAHLLOKOSA-N 0 3 371.441 1.928 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833286 554426355 /nfs/dbraw/zinc/42/63/55/554426355.db2.gz GCGZJFYSSOEFJW-ZFWWWQNUSA-N 0 3 362.430 1.704 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614923708 555138743 /nfs/dbraw/zinc/13/87/43/555138743.db2.gz RIKQLMYQMASYPC-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551383 555648333 /nfs/dbraw/zinc/64/83/33/555648333.db2.gz ZTKDBNZHXVSYIO-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN CC[C@@H]1CCCCN1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272942589 674490901 /nfs/dbraw/zinc/49/09/01/674490901.db2.gz VXCAFCIQASZTSF-GFCCVEGCSA-N 0 3 356.448 1.919 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639833 606240314 /nfs/dbraw/zinc/24/03/14/606240314.db2.gz IEXTYQBHHDRIIF-CQSZACIVSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639833 606240315 /nfs/dbraw/zinc/24/03/15/606240315.db2.gz IEXTYQBHHDRIIF-CQSZACIVSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639833 606240316 /nfs/dbraw/zinc/24/03/16/606240316.db2.gz IEXTYQBHHDRIIF-CQSZACIVSA-N 0 3 373.417 1.466 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639833 606240317 /nfs/dbraw/zinc/24/03/17/606240317.db2.gz IEXTYQBHHDRIIF-CQSZACIVSA-N 0 3 373.417 1.466 20 5 FDBDHN CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000825212231 607841199 /nfs/dbraw/zinc/84/11/99/607841199.db2.gz QNMURMZIRIOFDV-RYUDHWBXSA-N 0 3 361.406 1.056 20 5 FDBDHN CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000825212231 607841200 /nfs/dbraw/zinc/84/12/00/607841200.db2.gz QNMURMZIRIOFDV-RYUDHWBXSA-N 0 3 361.406 1.056 20 5 FDBDHN COc1ccc(NC(=O)CCN2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000276843808 674780807 /nfs/dbraw/zinc/78/08/07/674780807.db2.gz IAQXDVZLAJNPRM-GASCZTMLSA-N 0 3 353.375 1.278 20 5 FDBDHN C[NH+](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277715377 675015129 /nfs/dbraw/zinc/01/51/29/675015129.db2.gz GPGXJBFCKDBWOV-UHFFFAOYSA-N 0 3 370.200 1.336 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000178732609 672146592 /nfs/dbraw/zinc/14/65/92/672146592.db2.gz BPODPGJLRTXDTH-INIZCTEOSA-N 0 3 350.394 1.472 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000265836297 672999504 /nfs/dbraw/zinc/99/95/04/672999504.db2.gz MBUVZFZDUDQROI-UHFFFAOYSA-N 0 3 350.375 1.290 20 5 FDBDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000267758964 673323303 /nfs/dbraw/zinc/32/33/03/673323303.db2.gz QBZSSOCHRHFZPP-HIFRSBDPSA-N 0 3 350.419 1.984 20 5 FDBDHN CN1CCCC[C@@H]1CCN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000289624627 676159808 /nfs/dbraw/zinc/15/98/08/676159808.db2.gz VJDSNBOCGKMRHR-LLVKDONJSA-N 0 3 353.400 1.614 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000281427126 675518387 /nfs/dbraw/zinc/51/83/87/675518387.db2.gz GGPYKUZOQDUYTK-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292137532 676285729 /nfs/dbraw/zinc/28/57/29/676285729.db2.gz YNUNTQHVYBUKSS-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361582329 676897226 /nfs/dbraw/zinc/89/72/26/676897226.db2.gz KSNLISYOAJMKLF-QWHCGFSZSA-N 0 3 350.375 1.588 20 5 FDBDHN CCc1nn(C)c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000377141949 678462083 /nfs/dbraw/zinc/46/20/83/678462083.db2.gz PDLBFDAZWHGJOQ-AWEZNQCLSA-N 0 3 350.467 1.495 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1F ZINC000412243888 679167309 /nfs/dbraw/zinc/16/73/09/679167309.db2.gz FZXKYFQRPIUCLY-RISCZKNCSA-N 0 3 351.378 1.838 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000416378925 679594785 /nfs/dbraw/zinc/59/47/85/679594785.db2.gz TWCFFCZGDGDOML-UHFFFAOYSA-N 0 3 371.415 1.146 20 5 FDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416393093 679601557 /nfs/dbraw/zinc/60/15/57/679601557.db2.gz UNUJNERHCLGDFO-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425814917 680932967 /nfs/dbraw/zinc/93/29/67/680932967.db2.gz CLTVLZZZWIPBSC-IINYFYTJSA-N 0 3 350.350 1.225 20 5 FDBDHN COC(=O)COc1ccc(CNCC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000435747855 681632930 /nfs/dbraw/zinc/63/29/30/681632930.db2.gz BQIWNDFVHXZRES-VWLOTQADSA-N 0 3 370.427 1.537 20 5 FDBDHN COC(=O)C[C@@H]1CSCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000438581795 681868793 /nfs/dbraw/zinc/86/87/93/681868793.db2.gz HBIVFZOSYLPWJS-CQSZACIVSA-N 0 3 367.427 1.904 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475096351 685558747 /nfs/dbraw/zinc/55/87/47/685558747.db2.gz NDVRXWUYRPKALI-CHWSQXEVSA-N 0 3 351.403 1.671 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])cc1F ZINC000452346360 683054726 /nfs/dbraw/zinc/05/47/26/683054726.db2.gz VCRGLXUPNAOKIK-NSHDSACASA-N 0 3 355.366 1.319 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(CO)CCSCC2)cc1 ZINC000459692456 684445043 /nfs/dbraw/zinc/44/50/43/684445043.db2.gz HIMLLXNJWZXPLD-UHFFFAOYSA-N 0 3 360.457 1.216 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1CCO ZINC000470209741 685016104 /nfs/dbraw/zinc/01/61/04/685016104.db2.gz MPVKKMFJIZMNMN-ZDUSSCGKSA-N 0 3 369.443 1.732 20 5 FDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000500462463 688085529 /nfs/dbraw/zinc/08/55/29/688085529.db2.gz PUUBGTWVORFYRR-ZYHUDNBSSA-N 0 3 373.431 1.117 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502852008 688307636 /nfs/dbraw/zinc/30/76/36/688307636.db2.gz YDIXRPXMMJFJLC-WDEREUQCSA-N 0 3 354.794 1.691 20 5 FDBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868354 721062502 /nfs/dbraw/zinc/06/25/02/721062502.db2.gz OAIDVAFDRUFLLH-CVEARBPZSA-N 0 3 355.398 1.865 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000277519107 782353466 /nfs/dbraw/zinc/35/34/66/782353466.db2.gz LPGXMHNWWICSMQ-MRXNPFEDSA-N 0 3 374.441 1.766 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000277519102 782354325 /nfs/dbraw/zinc/35/43/25/782354325.db2.gz LPGXMHNWWICSMQ-INIZCTEOSA-N 0 3 374.441 1.766 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632451 771283403 /nfs/dbraw/zinc/28/34/03/771283403.db2.gz QZKUITFYEMTZGR-WBVHZDCISA-N 0 3 372.425 1.546 20 5 FDBDHN CC(COC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813102164 771945004 /nfs/dbraw/zinc/94/50/04/771945004.db2.gz OOLPMNTYEJHOQB-ZETCQYMHSA-N 0 3 366.189 1.675 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000933338262 777333188 /nfs/dbraw/zinc/33/31/88/777333188.db2.gz VEQYIKAGLOXTFF-CYBMUJFWSA-N 0 3 362.430 1.367 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000277236488 781149829 /nfs/dbraw/zinc/14/98/29/781149829.db2.gz CAIJEKDGLYRJDW-OAHLLOKOSA-N 0 3 358.398 1.944 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000364465990 785059436 /nfs/dbraw/zinc/05/94/36/785059436.db2.gz FXPWUAFEPFQUQU-VXGBXAGGSA-N 0 3 365.386 1.205 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000375877081 785193511 /nfs/dbraw/zinc/19/35/11/785193511.db2.gz RRQDZHNCQJHLCS-OZSKJFCKSA-N 0 3 372.425 1.549 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375880189 785214520 /nfs/dbraw/zinc/21/45/20/785214520.db2.gz LJZIDZSNIASIBZ-GOSISDBHSA-N 0 3 360.458 1.764 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000472561914 787364335 /nfs/dbraw/zinc/36/43/35/787364335.db2.gz LHEGLVJNIRQPDZ-NWDGAFQWSA-N 0 3 366.393 1.909 20 5 FDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000103119341 788342110 /nfs/dbraw/zinc/34/21/10/788342110.db2.gz UOQDHGFMRWURMF-UHFFFAOYSA-N 0 3 362.430 1.599 20 5 FDBDHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000892819872 791334372 /nfs/dbraw/zinc/33/43/72/791334372.db2.gz SYVVNESPYQJGMF-RBSFLKMASA-N 0 3 362.430 1.861 20 5 FDBDHN C[C@]1(CO)CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759891914 796062038 /nfs/dbraw/zinc/06/20/38/796062038.db2.gz CTHAJFDXYNQEJU-GOSISDBHSA-N 0 3 362.430 1.090 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000728908275 809058696 /nfs/dbraw/zinc/05/86/96/809058696.db2.gz BDZGOJKCSRMKJS-UHFFFAOYSA-N 0 3 362.390 1.121 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292088932 810032995 /nfs/dbraw/zinc/03/29/95/810032995.db2.gz YMLQFXZFVDYFQJ-INIZCTEOSA-N 0 3 369.425 1.886 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000422373674 814813059 /nfs/dbraw/zinc/81/30/59/814813059.db2.gz GHDZGCQEKIAPAX-OAHLLOKOSA-N 0 3 362.430 1.461 20 5 FDBDHN COCC(C)(C)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000425510293 816408829 /nfs/dbraw/zinc/40/88/29/816408829.db2.gz VAOQLNXJYYPUPF-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN Cn1nc2c(c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-])CCCC2 ZINC000517130203 817250467 /nfs/dbraw/zinc/25/04/67/817250467.db2.gz RJARSDLQWRBZOZ-ZDUSSCGKSA-N 0 3 360.414 1.737 20 5 FDBDHN Cc1[n-]nc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000426874269 818577901 /nfs/dbraw/zinc/57/79/01/818577901.db2.gz ITRPCMAUPYGTDC-LBPRGKRZSA-N 0 3 363.374 1.180 20 5 FDBDHN Cc1cc(OCC(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281113006 825889808 /nfs/dbraw/zinc/88/98/08/825889808.db2.gz NKIGYLPBHILAIF-OAHLLOKOSA-N 0 3 364.446 1.424 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220042 827180298 /nfs/dbraw/zinc/18/02/98/827180298.db2.gz RPJQYQFELVNDDT-ROUUACIJSA-N 0 3 374.441 1.522 20 5 FDBDHN CN(Cc1cc2n(n1)CCCC2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424733 827780479 /nfs/dbraw/zinc/78/04/79/827780479.db2.gz AEVMORMBPMXSGX-IAGOWNOFSA-N 0 3 361.446 1.307 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000475565470 827922804 /nfs/dbraw/zinc/92/28/04/827922804.db2.gz PWIZPXZXGZCGML-UHFFFAOYSA-N 0 3 363.414 1.674 20 5 FDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451773004 830442323 /nfs/dbraw/zinc/44/23/23/830442323.db2.gz LKUVGGMXERPIFH-CABCVRRESA-N 0 3 361.398 1.805 20 5 FDBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1c1ccccc1 ZINC000452004677 830502548 /nfs/dbraw/zinc/50/25/48/830502548.db2.gz KRSXJJOCMCBFMI-SJORKVTESA-N 0 3 371.393 1.645 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532322165 831135608 /nfs/dbraw/zinc/13/56/08/831135608.db2.gz KSIRXAJTPDYHQL-XJKSGUPXSA-N 0 3 374.445 1.304 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459955089 839165759 /nfs/dbraw/zinc/16/57/59/839165759.db2.gz ARTKZWWBIPVMOE-UHFFFAOYSA-N 0 3 374.441 1.638 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843797429 840953633 /nfs/dbraw/zinc/95/36/33/840953633.db2.gz VAVLEHXCJYRJAE-LBPRGKRZSA-N 0 3 352.410 1.798 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913103329 861424841 /nfs/dbraw/zinc/42/48/41/861424841.db2.gz LBLDSLZVEHLEQE-WMLDXEAASA-N 0 3 357.414 1.818 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000485655077 852662048 /nfs/dbraw/zinc/66/20/48/852662048.db2.gz GVZPMSAKHZWAFV-SUMWQHHRSA-N 0 3 364.421 1.832 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486112394 853723649 /nfs/dbraw/zinc/72/36/49/853723649.db2.gz ZZDLFDWKDBQWLU-CYBMUJFWSA-N 0 3 371.384 1.985 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000907144842 853861392 /nfs/dbraw/zinc/86/13/92/853861392.db2.gz BYXKFXQHIJGMEZ-NEPJUHHUSA-N 0 3 358.851 1.948 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)C1CCN(C)CC1 ZINC000911937473 859164199 /nfs/dbraw/zinc/16/41/99/859164199.db2.gz MIAKFKWJBVLSBO-CYBMUJFWSA-N 0 3 367.471 1.991 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489207764 859411560 /nfs/dbraw/zinc/41/15/60/859411560.db2.gz STYHSYIBPGCIRR-HIFRSBDPSA-N 0 3 365.430 1.967 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1F ZINC000916660624 881992193 /nfs/dbraw/zinc/99/21/93/881992193.db2.gz UHIDUBDXCISACG-NEPJUHHUSA-N 0 3 357.407 1.615 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000462987151 868280224 /nfs/dbraw/zinc/28/02/24/868280224.db2.gz HXHUDDLXTFTFSW-AWEZNQCLSA-N 0 3 363.462 1.640 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176410913 869726322 /nfs/dbraw/zinc/72/63/22/869726322.db2.gz NACUHRAXULSQHC-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN CC(C)CN1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000132367484 872915934 /nfs/dbraw/zinc/91/59/34/872915934.db2.gz FKHYKEFBWVHCRV-UHFFFAOYSA-N 0 3 361.402 1.643 20 5 FDBDHN CCc1nc(C)c(CN2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)o1 ZINC001035704212 886328606 /nfs/dbraw/zinc/32/86/06/886328606.db2.gz FWFJWBMCKYJOST-ZIAGYGMSSA-N 0 3 362.430 1.635 20 5 FDBDHN CCc1n[nH]c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734242651 923119612 /nfs/dbraw/zinc/11/96/12/923119612.db2.gz RJBKGTDESLVPCM-LBPRGKRZSA-N 0 3 351.407 1.254 20 5 FDBDHN O=C1CN(CN2CC[C@H](N3CC=CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000742164088 925945923 /nfs/dbraw/zinc/94/59/23/925945923.db2.gz XOFIYRFYLZUGSW-INIZCTEOSA-N 0 3 371.397 1.267 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)C1 ZINC001169036590 928231741 /nfs/dbraw/zinc/23/17/41/928231741.db2.gz GWFFMKPXDHCXTM-JKSUJKDBSA-N 0 3 360.462 1.644 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)C1 ZINC001169036589 928231850 /nfs/dbraw/zinc/23/18/50/928231850.db2.gz GWFFMKPXDHCXTM-HZPDHXFCSA-N 0 3 360.462 1.644 20 5 FDBDHN COC(=O)C[C@@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCCOC1 ZINC000770697588 930208681 /nfs/dbraw/zinc/20/86/81/930208681.db2.gz CBQBAIJTFCWKDD-KRWDZBQOSA-N 0 3 368.386 1.684 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786917246 932088851 /nfs/dbraw/zinc/08/88/51/932088851.db2.gz OBLAGLDOLYUBJT-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[N+](=O)[O-] ZINC000813100129 941325400 /nfs/dbraw/zinc/32/54/00/941325400.db2.gz NLAPZMUFJOAJGK-CYBMUJFWSA-N 0 3 370.427 1.929 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813104699 941326356 /nfs/dbraw/zinc/32/63/56/941326356.db2.gz PYYXIFKIAKFJMP-QWHCGFSZSA-N 0 3 356.400 1.296 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103273 941326638 /nfs/dbraw/zinc/32/66/38/941326638.db2.gz ZPWURKFEELVMEA-LBPRGKRZSA-N 0 3 358.416 1.848 20 5 FDBDHN COc1ccc([C@@H]2[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000813112570 941335637 /nfs/dbraw/zinc/33/56/37/941335637.db2.gz INWBENBMZCMHHM-DIOULYMOSA-N 0 3 350.371 1.813 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000813114990 941336530 /nfs/dbraw/zinc/33/65/30/941336530.db2.gz IORURVLMTIVEIN-JTQLQIEISA-N 0 3 360.388 1.204 20 5 FDBDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625611 941922565 /nfs/dbraw/zinc/92/25/65/941922565.db2.gz HZKKGVAECOUWBV-DGCLKSJQSA-N 0 3 371.463 1.098 20 5 FDBDHN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001135191807 941954637 /nfs/dbraw/zinc/95/46/37/941954637.db2.gz IHIMKDYRBTYUJQ-NFAWXSAZSA-N 0 3 357.332 1.975 20 5 FDBDHN C[C@H]1[C@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000816469665 942206267 /nfs/dbraw/zinc/20/62/67/942206267.db2.gz BGDKPZCFZZNRFG-DZGCQCFKSA-N 0 3 359.386 1.783 20 5 FDBDHN CS(=O)(=O)Nc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818946092 943357266 /nfs/dbraw/zinc/35/72/66/943357266.db2.gz XXIQTYQXAIRFET-INIZCTEOSA-N 0 3 365.411 1.790 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994620 946144312 /nfs/dbraw/zinc/14/43/12/946144312.db2.gz WQUVYUNWHJODJO-ZDUSSCGKSA-N 0 3 351.407 1.752 20 5 FDBDHN CC([C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881118 950058392 /nfs/dbraw/zinc/05/83/92/950058392.db2.gz YAWRJQFRBZVOTQ-JOYOIKCWSA-N 0 3 362.379 1.403 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)NCC(F)(F)F)c1F ZINC001173177422 961953271 /nfs/dbraw/zinc/95/32/71/961953271.db2.gz BPPJIXGFMVMCLX-MRVPVSSYSA-N 0 3 367.299 1.942 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cncc(C(N)=O)c2)c1F ZINC001173179227 961953775 /nfs/dbraw/zinc/95/37/75/961953775.db2.gz KQOUFSPRWBLFMX-SNVBAGLBSA-N 0 3 362.361 1.957 20 5 FDBDHN CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695554 962585113 /nfs/dbraw/zinc/58/51/13/962585113.db2.gz GONUOCLCHFHIEA-CQSZACIVSA-N 0 3 369.443 1.469 20 5 FDBDHN CC(C)CN1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001177525753 963865372 /nfs/dbraw/zinc/86/53/72/963865372.db2.gz WMCGIEXHMCHLPM-IAGOWNOFSA-N 0 3 361.442 1.383 20 5 FDBDHN O=C(NCCCCCCNCc1nnc(C2CC2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458580 964244168 /nfs/dbraw/zinc/24/41/68/964244168.db2.gz MURDSKYEKUREIR-CHWSQXEVSA-N 0 3 351.407 1.378 20 5 FDBDHN COC(=O)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776582849 967137655 /nfs/dbraw/zinc/13/76/55/967137655.db2.gz CLRBLQLNTKELPK-JKSUJKDBSA-N 0 3 352.387 1.672 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852297328 967195538 /nfs/dbraw/zinc/19/55/38/967195538.db2.gz GXZHNASKZPJOSB-UHFFFAOYSA-N 0 3 374.397 1.802 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CC3(O)CCCCC3)C2)nc1 ZINC001191763786 968734704 /nfs/dbraw/zinc/73/47/04/968734704.db2.gz LIHQCKGSEQBCOR-ZBFHGGJFSA-N 0 3 364.446 1.922 20 5 FDBDHN CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000855360276 970314494 /nfs/dbraw/zinc/31/44/94/970314494.db2.gz JUUDKOLKVBCUME-AWEZNQCLSA-N 0 3 350.375 1.988 20 5 FDBDHN O=Cc1ccc(OCC(=O)NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000863031941 972621087 /nfs/dbraw/zinc/62/10/87/972621087.db2.gz CJROKJWTJQVZEF-HNNXBMFYSA-N 0 3 361.398 1.919 20 5 FDBDHN CC(C)[C@H]1CN(C)CCN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794633179 973493478 /nfs/dbraw/zinc/49/34/78/973493478.db2.gz 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C[C@@H]1CN(C[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000519141398 539470977 /nfs/dbraw/zinc/47/09/77/539470977.db2.gz DFWSBZAAYRWFNZ-LZWOXQAQSA-N 0 3 353.419 1.033 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264190579 179044891 /nfs/dbraw/zinc/04/48/91/179044891.db2.gz NEYAHUPPTSZFIG-VGMNTSGFSA-N 0 3 374.441 1.667 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264623437 179151044 /nfs/dbraw/zinc/15/10/44/179151044.db2.gz SBLDRVDGPHDTSX-CYBMUJFWSA-N 0 3 354.432 1.307 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000264623439 179151396 /nfs/dbraw/zinc/15/13/96/179151396.db2.gz SBLDRVDGPHDTSX-ZDUSSCGKSA-N 0 3 354.432 1.307 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264967404 179254088 /nfs/dbraw/zinc/25/40/88/179254088.db2.gz XQOZGJBXYNJUPF-LLVKDONJSA-N 0 3 360.370 1.299 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265993574 179505910 /nfs/dbraw/zinc/50/59/10/179505910.db2.gz MWYJFQRLTZCOHB-XJKSGUPXSA-N 0 3 362.430 1.513 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268186026 180019032 /nfs/dbraw/zinc/01/90/32/180019032.db2.gz UMNCHIXEIMWXQP-QMTHXVAHSA-N 0 3 354.432 1.398 20 5 FDBDHN C[C@H](Cn1cccn1)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269399166 180294278 /nfs/dbraw/zinc/29/42/78/180294278.db2.gz CEDRTCSFWYYREJ-OAHLLOKOSA-N 0 3 372.429 1.118 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274272459 181060486 /nfs/dbraw/zinc/06/04/86/181060486.db2.gz MWNMLEQOXJITFV-UHFFFAOYSA-N 0 3 366.418 1.187 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC000274491581 181106560 /nfs/dbraw/zinc/10/65/60/181106560.db2.gz RJIWOBAGBTZEPE-UHFFFAOYSA-N 0 3 358.402 1.723 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000274563665 181122958 /nfs/dbraw/zinc/12/29/58/181122958.db2.gz KLLYGUVBRKBWLI-CABCVRRESA-N 0 3 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ZINC000283595204 182224306 /nfs/dbraw/zinc/22/43/06/182224306.db2.gz VWYQABDEERVCKA-UHFFFAOYSA-N 0 3 374.441 1.686 20 5 FDBDHN C[C@@H](CCn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000545302659 541930346 /nfs/dbraw/zinc/93/03/46/541930346.db2.gz DMJQDIRRXRTCKI-ZDUSSCGKSA-N 0 3 352.416 1.633 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294977242 184024665 /nfs/dbraw/zinc/02/46/65/184024665.db2.gz RJYMVRMXZLYTAS-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN CC[C@H](CO)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000295631015 184089683 /nfs/dbraw/zinc/08/96/83/184089683.db2.gz XNAJIIUHQQGJJQ-CQSZACIVSA-N 0 3 373.413 1.514 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296055753 184125906 /nfs/dbraw/zinc/12/59/06/184125906.db2.gz QAPBLEIAOYHTMG-LLVKDONJSA-N 0 3 366.393 1.829 20 5 FDBDHN CCN(C)C(=O)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000296327548 184154209 /nfs/dbraw/zinc/15/42/09/184154209.db2.gz PDERVPLPIHYKRR-HOCLYGCPSA-N 0 3 353.419 1.427 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(CCCO)C1 ZINC000296394694 184162018 /nfs/dbraw/zinc/16/20/18/184162018.db2.gz IZWMVMLZRLIDOC-ZDUSSCGKSA-N 0 3 355.822 1.754 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CCS(=O)(=O)C1 ZINC000296520326 184174809 /nfs/dbraw/zinc/17/48/09/184174809.db2.gz PXLPNWFNNGPLRE-SWLSCSKDSA-N 0 3 374.484 1.605 20 5 FDBDHN CCN(CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000296830416 184205291 /nfs/dbraw/zinc/20/52/91/184205291.db2.gz ZVNRFBWDWRQYLE-UHFFFAOYSA-N 0 3 362.434 1.306 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000297457258 184274045 /nfs/dbraw/zinc/27/40/45/184274045.db2.gz VRKRRLBJUDWHJQ-OAHLLOKOSA-N 0 3 350.419 1.283 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297917860 184355706 /nfs/dbraw/zinc/35/57/06/184355706.db2.gz QDOUPTVPFMSQRA-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000548011156 542521726 /nfs/dbraw/zinc/52/17/26/542521726.db2.gz XYMURFMRZCRJNE-ZFWWWQNUSA-N 0 3 360.418 1.175 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](N(C)C)C1 ZINC000078617766 132377335 /nfs/dbraw/zinc/37/73/35/132377335.db2.gz MBZZNPJEGUMYOO-JTQLQIEISA-N 0 3 352.347 1.820 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000549034410 542825129 /nfs/dbraw/zinc/82/51/29/542825129.db2.gz HOKZGWGKAVSJPP-ZDUSSCGKSA-N 0 3 351.403 1.834 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000550087051 543003249 /nfs/dbraw/zinc/00/32/49/543003249.db2.gz ZMVSWRMAAHCMQI-GDBMZVCRSA-N 0 3 360.366 1.764 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000550701054 543153402 /nfs/dbraw/zinc/15/34/02/543153402.db2.gz SKZLKFPVTCWWIJ-DOMZBBRYSA-N 0 3 357.432 1.420 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550965102 543207389 /nfs/dbraw/zinc/20/73/89/543207389.db2.gz NBQONQIGKQSZJF-UHFFFAOYSA-N 0 3 362.474 1.968 20 5 FDBDHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000551011251 543214982 /nfs/dbraw/zinc/21/49/82/543214982.db2.gz OSYVJBKLEMXXSA-SNVBAGLBSA-N 0 3 357.388 1.239 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000551352465 543273733 /nfs/dbraw/zinc/27/37/33/543273733.db2.gz FUQQPMRFKHIVAH-UHFFFAOYSA-N 0 3 373.413 1.731 20 5 FDBDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000552067291 543413267 /nfs/dbraw/zinc/41/32/67/543413267.db2.gz FUTUSMCNDZIJLL-IKGGRYGDSA-N 0 3 367.471 1.831 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000067826221 172013781 /nfs/dbraw/zinc/01/37/81/172013781.db2.gz XSZLYQQISUSRLN-UHFFFAOYSA-N 0 3 361.402 1.816 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085455761 172218787 /nfs/dbraw/zinc/21/87/87/172218787.db2.gz FXUPJCBWKICXLZ-BETUJISGSA-N 0 3 350.419 1.796 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000103121646 172359737 /nfs/dbraw/zinc/35/97/37/172359737.db2.gz MWLIGNZNIVKAQH-UHFFFAOYSA-N 0 3 364.377 1.114 20 5 FDBDHN COc1cc(OCC(=O)N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000121996250 172880195 /nfs/dbraw/zinc/88/01/95/172880195.db2.gz FXXRFSOJJABFFA-ZDUSSCGKSA-N 0 3 351.403 1.973 20 5 FDBDHN CN1CCN([C@H]2CCCCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000127102181 173064169 /nfs/dbraw/zinc/06/41/69/173064169.db2.gz HCUPDJDBPASCPG-ZDUSSCGKSA-N 0 3 364.475 1.910 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000129796910 173150849 /nfs/dbraw/zinc/15/08/49/173150849.db2.gz BYTWKNHZJRUPGW-UHFFFAOYSA-N 0 3 364.446 1.531 20 5 FDBDHN Cc1cc(N2CCCN(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000131571563 173208099 /nfs/dbraw/zinc/20/80/99/173208099.db2.gz UDHNXHSDWCWCGK-UHFFFAOYSA-N 0 3 357.414 1.865 20 5 FDBDHN CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000151167108 173392737 /nfs/dbraw/zinc/39/27/37/173392737.db2.gz IHBHFOAFOUDLTR-NSHDSACASA-N 0 3 368.821 1.531 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177608340 174144319 /nfs/dbraw/zinc/14/43/19/174144319.db2.gz GGWXYMBJNPERJE-DOTOQJQBSA-N 0 3 368.434 1.202 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000178199635 174177474 /nfs/dbraw/zinc/17/74/74/174177474.db2.gz CMUMSPKCHHNKIS-AWEZNQCLSA-N 0 3 363.462 1.489 20 5 FDBDHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181595564 174235829 /nfs/dbraw/zinc/23/58/29/174235829.db2.gz SRAFIMKALVELDP-GJZGRUSLSA-N 0 3 351.403 1.183 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000180161391 258363417 /nfs/dbraw/zinc/36/34/17/258363417.db2.gz DEOQDGJRTNEZNP-WBVHZDCISA-N 0 3 367.471 1.883 20 5 FDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180522483 258370168 /nfs/dbraw/zinc/37/01/68/258370168.db2.gz NORXIBQAVVSYBY-LBPRGKRZSA-N 0 3 367.431 1.392 20 5 FDBDHN COc1ccc(OCCN2CCC[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000173580895 258304382 /nfs/dbraw/zinc/30/43/82/258304382.db2.gz FDDQMYWERAGNEJ-CQSZACIVSA-N 0 3 351.403 1.830 20 5 FDBDHN CN(CCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1)Cc1ccccc1 ZINC000264058070 258411555 /nfs/dbraw/zinc/41/15/55/258411555.db2.gz CUZGJKHVNVJOHP-UHFFFAOYSA-N 0 3 358.446 1.582 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](OCCN4CCCCC4)C3)nn21 ZINC000301967050 259036768 /nfs/dbraw/zinc/03/67/68/259036768.db2.gz OQSQVHAWJJGUKA-CQSZACIVSA-N 0 3 360.418 1.719 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000330432469 259144156 /nfs/dbraw/zinc/14/41/56/259144156.db2.gz KAMIAVLVQDSCDC-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000330432687 259144350 /nfs/dbraw/zinc/14/43/50/259144350.db2.gz OIWMXXPUWYULRQ-BETUJISGSA-N 0 3 350.419 1.884 20 5 FDBDHN CCN1CCC(N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331204164 259181408 /nfs/dbraw/zinc/18/14/08/259181408.db2.gz YFOHIHWZODXROM-UHFFFAOYSA-N 0 3 355.460 1.883 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC000368157895 260142588 /nfs/dbraw/zinc/14/25/88/260142588.db2.gz FOBGFYIQWDBFOI-GDBMZVCRSA-N 0 3 350.350 1.445 20 5 FDBDHN O=[N+]([O-])c1cccc(Cl)c1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000368389402 260176253 /nfs/dbraw/zinc/17/62/53/260176253.db2.gz WLKPPXVVHAUHEB-LBPRGKRZSA-N 0 3 373.862 1.994 20 5 FDBDHN Cc1noc(C)c1CO[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000368848465 260247603 /nfs/dbraw/zinc/24/76/03/260247603.db2.gz XEFLZJPWFSOPGH-CABCVRRESA-N 0 3 365.390 1.048 20 5 FDBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000369226759 260316453 /nfs/dbraw/zinc/31/64/53/260316453.db2.gz MTACOAUYQUADBB-ZBFHGGJFSA-N 0 3 361.402 1.078 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000369275754 260331246 /nfs/dbraw/zinc/33/12/46/260331246.db2.gz CSAHLDKYRWVQGI-CYBMUJFWSA-N 0 3 362.430 1.502 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000369311430 260338463 /nfs/dbraw/zinc/33/84/63/260338463.db2.gz WGDAUBLDWSIZQY-CQSZACIVSA-N 0 3 364.421 1.834 20 5 FDBDHN N=C(NO)[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000373422601 261009275 /nfs/dbraw/zinc/00/92/75/261009275.db2.gz OBCLXTVDPLGZKH-CYBMUJFWSA-N 0 3 353.354 1.873 20 5 FDBDHN Cc1cc(OCC(=O)N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000373823366 261044519 /nfs/dbraw/zinc/04/45/19/261044519.db2.gz NWTRGAIDRZJUJB-UHFFFAOYSA-N 0 3 365.430 1.587 20 5 FDBDHN CN1CCC2(CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000374325990 261111117 /nfs/dbraw/zinc/11/11/17/261111117.db2.gz QRFQVOGPOLGEQV-UHFFFAOYSA-N 0 3 370.413 1.876 20 5 FDBDHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375376814 261326736 /nfs/dbraw/zinc/32/67/36/261326736.db2.gz CURAZHFKVYNQAF-ZIAGYGMSSA-N 0 3 350.423 1.622 20 5 FDBDHN COc1ccc(OCCN2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000375500852 261356045 /nfs/dbraw/zinc/35/60/45/261356045.db2.gz YZCVJIWVULBYRM-CQSZACIVSA-N 0 3 353.419 1.371 20 5 FDBDHN COc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000409724186 262136806 /nfs/dbraw/zinc/13/68/06/262136806.db2.gz WPLWYBNVXKXQJC-CQSZACIVSA-N 0 3 351.403 1.426 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(N)=O)CC(C)C ZINC000026128165 519102351 /nfs/dbraw/zinc/10/23/51/519102351.db2.gz ZWNLAHPAQLIPMG-UHFFFAOYSA-N 0 3 352.391 1.375 20 5 FDBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000057151546 522014467 /nfs/dbraw/zinc/01/44/67/522014467.db2.gz SZFLHSGIWOOESW-UHFFFAOYSA-N 0 3 363.418 1.967 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065931428 522923020 /nfs/dbraw/zinc/92/30/20/522923020.db2.gz SXIQUGSTKIBQFR-UHFFFAOYSA-N 0 3 363.393 1.911 20 5 FDBDHN CCN1CCC(N(C)C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075604587 522941364 /nfs/dbraw/zinc/94/13/64/522941364.db2.gz FDVMUYLUKFSNLZ-ZDUSSCGKSA-N 0 3 362.430 1.656 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000075731098 522962845 /nfs/dbraw/zinc/96/28/45/522962845.db2.gz MDPCFXSMNRTKFR-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066836059 523216732 /nfs/dbraw/zinc/21/67/32/523216732.db2.gz BEORZNLKDIJUQR-LBPRGKRZSA-N 0 3 365.386 1.817 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000067305669 523385211 /nfs/dbraw/zinc/38/52/11/523385211.db2.gz LLWCNFJZUUOKSY-INIZCTEOSA-N 0 3 370.413 1.876 20 5 FDBDHN CCN1CCN(CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000068117069 523701600 /nfs/dbraw/zinc/70/16/00/523701600.db2.gz NYFBXGAQKZLZRT-UHFFFAOYSA-N 0 3 364.446 1.508 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c(F)c1 ZINC000055218407 523771362 /nfs/dbraw/zinc/77/13/62/523771362.db2.gz NOSOLFSDIWGDEI-UHFFFAOYSA-N 0 3 366.374 1.640 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000120908921 524092271 /nfs/dbraw/zinc/09/22/71/524092271.db2.gz ZDRFJNKWWQVRFI-UHFFFAOYSA-N 0 3 360.414 1.893 20 5 FDBDHN CCN(CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000110702804 524126181 /nfs/dbraw/zinc/12/61/81/524126181.db2.gz JZCAEWVAIXNQOO-CYBMUJFWSA-N 0 3 364.402 1.393 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000110995865 524183493 /nfs/dbraw/zinc/18/34/93/524183493.db2.gz VVGXEBHSBJTRQC-CJNGLKHVSA-N 0 3 362.430 1.704 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000085456526 524358233 /nfs/dbraw/zinc/35/82/33/524358233.db2.gz UICHFAKTLOYPKM-BETUJISGSA-N 0 3 367.450 1.890 20 5 FDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCN(C2CC2)C1 ZINC000143995584 524377970 /nfs/dbraw/zinc/37/79/70/524377970.db2.gz MQFWNJYDNHLTNH-GFCCVEGCSA-N 0 3 374.397 1.636 20 5 FDBDHN Cc1cc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000150936195 524507779 /nfs/dbraw/zinc/50/77/79/524507779.db2.gz KRDUBKBOQCDPJD-UHFFFAOYSA-N 0 3 374.401 1.030 20 5 FDBDHN Nc1c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000159583497 524701572 /nfs/dbraw/zinc/70/15/72/524701572.db2.gz CIIPGCXTUYLXJG-CQSZACIVSA-N 0 3 362.430 1.894 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(N3CCCC3)CC2)c1 ZINC000151887918 524718368 /nfs/dbraw/zinc/71/83/68/524718368.db2.gz GDDNGUAFLLOUGE-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000123373348 524738792 /nfs/dbraw/zinc/73/87/92/524738792.db2.gz ZRXWFJVIIWBHJU-VXGBXAGGSA-N 0 3 362.386 1.444 20 5 FDBDHN CCCN1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000114131434 524744339 /nfs/dbraw/zinc/74/43/39/524744339.db2.gz DQCLKSGLZQSTDK-UHFFFAOYSA-N 0 3 358.402 1.733 20 5 FDBDHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000123769069 524826266 /nfs/dbraw/zinc/82/62/66/524826266.db2.gz FSPJBXROJNVZSE-ZDUSSCGKSA-N 0 3 357.414 1.882 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093046570 524947210 /nfs/dbraw/zinc/94/72/10/524947210.db2.gz PADKXWJGFBHABE-FNORWQNLSA-N 0 3 358.442 1.848 20 5 FDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000153117360 525111594 /nfs/dbraw/zinc/11/15/94/525111594.db2.gz OVPNNHWCGCZRBF-UHFFFAOYSA-N 0 3 372.425 1.783 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@@H]1CO ZINC000161721317 525158264 /nfs/dbraw/zinc/15/82/64/525158264.db2.gz HRVULTSVUGQFPN-CYBMUJFWSA-N 0 3 357.432 1.110 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000161721317 525158273 /nfs/dbraw/zinc/15/82/73/525158273.db2.gz HRVULTSVUGQFPN-CYBMUJFWSA-N 0 3 357.432 1.110 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCN1CCC[C@@H]1CO ZINC000161734322 525159857 /nfs/dbraw/zinc/15/98/57/525159857.db2.gz ICIZZBDAESQBTM-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN CN(C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000177477444 525297324 /nfs/dbraw/zinc/29/73/24/525297324.db2.gz XHURVKXGSYHWPY-OLZOCXBDSA-N 0 3 369.443 1.601 20 5 FDBDHN CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000153778223 525320262 /nfs/dbraw/zinc/32/02/62/525320262.db2.gz ZNGIDYIXTWJPHY-SNVBAGLBSA-N 0 3 354.794 1.645 20 5 FDBDHN CC(C)CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000117334897 525323286 /nfs/dbraw/zinc/32/32/86/525323286.db2.gz LTXDDDAXYRCGPX-UHFFFAOYSA-N 0 3 350.375 1.336 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000103448811 525352470 /nfs/dbraw/zinc/35/24/70/525352470.db2.gz YDLXOINFAOHTBX-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN COc1cc(OCC(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000104413415 525411246 /nfs/dbraw/zinc/41/12/46/525411246.db2.gz PEJXZBPFNSNHSO-ZDUSSCGKSA-N 0 3 351.403 1.925 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000119576294 525793054 /nfs/dbraw/zinc/79/30/54/525793054.db2.gz DMMZSGZBHGQABP-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891162 525814536 /nfs/dbraw/zinc/81/45/36/525814536.db2.gz WDGMUYKVOLXSLC-LBPRGKRZSA-N 0 3 369.443 1.899 20 5 FDBDHN CN(C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000131413649 525855687 /nfs/dbraw/zinc/85/56/87/525855687.db2.gz DGCPRWLAEAJHDZ-HNNXBMFYSA-N 0 3 360.418 1.263 20 5 FDBDHN COCCCN1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000171125008 525859931 /nfs/dbraw/zinc/85/99/31/525859931.db2.gz UWVAESBAGYRQCD-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN COCCCN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000171125816 525861055 /nfs/dbraw/zinc/86/10/55/525861055.db2.gz QSYDGSIRRGRVEL-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN CC(=O)c1ccc(Sc2nnnn2C[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000131964559 525922897 /nfs/dbraw/zinc/92/28/97/525922897.db2.gz JLQMXVIAYHHFEL-LLVKDONJSA-N 0 3 362.415 1.887 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(CCc2ccncc2)CC1 ZINC000155815124 525983163 /nfs/dbraw/zinc/98/31/63/525983163.db2.gz WELDCDGBFPBKLR-UHFFFAOYSA-N 0 3 372.429 1.400 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000120457244 526070160 /nfs/dbraw/zinc/07/01/60/526070160.db2.gz DNUQOXKGFCEVRY-LRDDRELGSA-N 0 3 358.402 1.588 20 5 FDBDHN Cc1cn2c(n1)CC[C@@H](N[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147083 526082204 /nfs/dbraw/zinc/08/22/04/526082204.db2.gz SNMFXWMUVGWMBD-CZUORRHYSA-N 0 3 355.398 1.810 20 5 FDBDHN COc1ccc(OCCN(C)C[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC000156322875 526108943 /nfs/dbraw/zinc/10/89/43/526108943.db2.gz LJTUNYNTYWQXCY-AWEZNQCLSA-N 0 3 351.403 1.782 20 5 FDBDHN Cc1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000120890146 526211265 /nfs/dbraw/zinc/21/12/65/526211265.db2.gz NXNUGZFLGXOCPU-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000183119896 535923093 /nfs/dbraw/zinc/92/30/93/535923093.db2.gz YDRJQTRRBXSKFS-AWEZNQCLSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000183728543 536038560 /nfs/dbraw/zinc/03/85/60/536038560.db2.gz PQKUGIYHENYGSK-BBRMVZONSA-N 0 3 355.460 1.882 20 5 FDBDHN CCN(CCO)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183979683 536074945 /nfs/dbraw/zinc/07/49/45/536074945.db2.gz SEUFKEFTJVVZLO-UHFFFAOYSA-N 0 3 364.427 1.762 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000184698386 536177145 /nfs/dbraw/zinc/17/71/45/536177145.db2.gz VOYWFNONWYGRMR-HIFRSBDPSA-N 0 3 353.444 1.841 20 5 FDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000187462574 536266963 /nfs/dbraw/zinc/26/69/63/536266963.db2.gz RZBCLSRTGCHKBZ-MRXNPFEDSA-N 0 3 357.414 1.818 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246303859 536921717 /nfs/dbraw/zinc/92/17/17/536921717.db2.gz DHBJNHXJYQXTDD-KGLIPLIRSA-N 0 3 368.459 1.090 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246303859 536921719 /nfs/dbraw/zinc/92/17/19/536921719.db2.gz DHBJNHXJYQXTDD-KGLIPLIRSA-N 0 3 368.459 1.090 20 5 FDBDHN Cc1c(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000267008836 536948359 /nfs/dbraw/zinc/94/83/59/536948359.db2.gz BBWUYEICMUYQFL-UHFFFAOYSA-N 0 3 366.374 1.306 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000266008945 537183852 /nfs/dbraw/zinc/18/38/52/537183852.db2.gz RYKDEUACBBLXPZ-BBRMVZONSA-N 0 3 362.430 1.656 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248896224 537219682 /nfs/dbraw/zinc/21/96/82/537219682.db2.gz TXLXOJKNOLADJN-CJNGLKHVSA-N 0 3 357.414 1.736 20 5 FDBDHN CN1CCC(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285767818 537263551 /nfs/dbraw/zinc/26/35/51/537263551.db2.gz RUTUIQZRRCUATL-UHFFFAOYSA-N 0 3 359.386 1.721 20 5 FDBDHN COCCCN1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000363669527 537271713 /nfs/dbraw/zinc/27/17/13/537271713.db2.gz AXDAJSCKLUESTR-UHFFFAOYSA-N 0 3 364.446 1.968 20 5 FDBDHN CN1C(=O)CSC12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000363839048 537334212 /nfs/dbraw/zinc/33/42/12/537334212.db2.gz ZYXDIZLAYSMHML-UHFFFAOYSA-N 0 3 351.428 1.971 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000273001700 537373129 /nfs/dbraw/zinc/37/31/29/537373129.db2.gz RHEQQCWGNWRLSY-LLVKDONJSA-N 0 3 354.432 1.565 20 5 FDBDHN NC(=O)CCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273021896 537379597 /nfs/dbraw/zinc/37/95/97/537379597.db2.gz BZLJDEBQRSRZRK-CQSZACIVSA-N 0 3 351.403 1.312 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)C[S@](C)=O ZINC000299019398 537409256 /nfs/dbraw/zinc/40/92/56/537409256.db2.gz RAEGMARMOHGCOF-BUBHHJDNSA-N 0 3 357.432 1.631 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272003545 537516447 /nfs/dbraw/zinc/51/64/47/537516447.db2.gz IHTLLEIDQTZTHX-BBRMVZONSA-N 0 3 374.441 1.644 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000276455007 537522452 /nfs/dbraw/zinc/52/24/52/537522452.db2.gz VBUOQMUUEIHELQ-DUVNUKRYSA-N 0 3 352.387 1.466 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH2+]Cc1cccnc1 ZINC000237666238 537636311 /nfs/dbraw/zinc/63/63/11/537636311.db2.gz WMYCHHZQQWUVOK-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291714259 537665841 /nfs/dbraw/zinc/66/58/41/537665841.db2.gz ITHDYHYLBBWWDN-ICSRJNTNSA-N 0 3 372.421 1.971 20 5 FDBDHN CCN1CCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294929294 537709617 /nfs/dbraw/zinc/70/96/17/537709617.db2.gz LMBXKJSJHYKXBO-UHFFFAOYSA-N 0 3 362.430 1.311 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298516041 537722518 /nfs/dbraw/zinc/72/25/18/537722518.db2.gz ZGIOFHTWPMZNTP-STQMWFEESA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292298279 537726109 /nfs/dbraw/zinc/72/61/09/537726109.db2.gz UQYZQPLNBZLSKR-DDUZABMNSA-N 0 3 373.409 1.582 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292372099 537731112 /nfs/dbraw/zinc/73/11/12/537731112.db2.gz RBFSXGGFLYSRMO-UGSOOPFHSA-N 0 3 360.414 1.267 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292602483 537747943 /nfs/dbraw/zinc/74/79/43/537747943.db2.gz RYNOKPBLTUFCAE-QGZVFWFLSA-N 0 3 360.370 1.057 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367447201 537960350 /nfs/dbraw/zinc/96/03/50/537960350.db2.gz JXHKYRWXNWSFJS-KBXCAEBGSA-N 0 3 358.398 1.131 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000372728283 538012941 /nfs/dbraw/zinc/01/29/41/538012941.db2.gz RRQITIWEFQVPJN-GFCCVEGCSA-N 0 3 352.391 1.524 20 5 FDBDHN Cc1cc(C)n(CC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000369783945 538068763 /nfs/dbraw/zinc/06/87/63/538068763.db2.gz XQEKWJLHMDJIOV-QGZVFWFLSA-N 0 3 362.434 1.378 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000444135448 538120433 /nfs/dbraw/zinc/12/04/33/538120433.db2.gz CIHHUBBKYWODOV-WMLDXEAASA-N 0 3 350.419 1.655 20 5 FDBDHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423629439 538125004 /nfs/dbraw/zinc/12/50/04/538125004.db2.gz XHOWSVQUTRUSOJ-RDJZCZTQSA-N 0 3 374.441 1.641 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000427646953 538224459 /nfs/dbraw/zinc/22/44/59/538224459.db2.gz UCBRBSZQHGNBPG-CQSZACIVSA-N 0 3 351.403 1.426 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433745296 538268733 /nfs/dbraw/zinc/26/87/33/538268733.db2.gz PJCGTQWIXNPYDX-ZDUSSCGKSA-N 0 3 366.466 1.445 20 5 FDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420445180 538295745 /nfs/dbraw/zinc/29/57/45/538295745.db2.gz SCATXDCNEOIYEU-RNFRBKRXSA-N 0 3 352.210 1.371 20 5 FDBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447236510 538359606 /nfs/dbraw/zinc/35/96/06/538359606.db2.gz DGYGUNJOUUTTCE-SSDOTTSWSA-N 0 3 352.210 1.230 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)[C@@H]2C1 ZINC000425054958 538374116 /nfs/dbraw/zinc/37/41/16/538374116.db2.gz GHZGBHKMARLECX-SWLSCSKDSA-N 0 3 365.455 1.845 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000452367909 538382093 /nfs/dbraw/zinc/38/20/93/538382093.db2.gz BYVFOVHJPGPVMT-CQSZACIVSA-N 0 3 351.403 1.245 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000560582789 545549044 /nfs/dbraw/zinc/54/90/44/545549044.db2.gz HTGXZGQGAAJJMW-VXGBXAGGSA-N 0 3 369.443 1.867 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000472554473 538656684 /nfs/dbraw/zinc/65/66/84/538656684.db2.gz BABAERBMCCSPQW-UHFFFAOYSA-N 0 3 350.350 1.415 20 5 FDBDHN CN(C)CCN1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000465556943 538722918 /nfs/dbraw/zinc/72/29/18/538722918.db2.gz CDJNQLIDARVMLQ-UHFFFAOYSA-N 0 3 363.462 1.463 20 5 FDBDHN COC(=O)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000497726359 538783025 /nfs/dbraw/zinc/78/30/25/538783025.db2.gz AVQWLDBPVOVGIW-HNNXBMFYSA-N 0 3 352.387 1.610 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489456987 538813738 /nfs/dbraw/zinc/81/37/38/538813738.db2.gz LACYAGRWNVXFOW-UHFFFAOYSA-N 0 3 372.381 1.923 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000474346073 538835357 /nfs/dbraw/zinc/83/53/57/538835357.db2.gz PGYCRGKSFIYJIM-IUODEOHRSA-N 0 3 363.414 1.719 20 5 FDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561013349 545654453 /nfs/dbraw/zinc/65/44/53/545654453.db2.gz LTHXNNRVTBCLLH-ZDUSSCGKSA-N 0 3 362.430 1.326 20 5 FDBDHN CNc1nccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000561316340 545800267 /nfs/dbraw/zinc/80/02/67/545800267.db2.gz RWAPPCMXUCBFND-CJNGLKHVSA-N 0 3 369.425 2.282 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561419868 545841375 /nfs/dbraw/zinc/84/13/75/545841375.db2.gz TUJSMIMERXWYIM-NWDGAFQWSA-N 0 3 354.432 1.305 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)Cc1cccc(F)c1 ZINC000563137621 546419926 /nfs/dbraw/zinc/41/99/26/546419926.db2.gz IDAJEXKESQYXAI-JKSUJKDBSA-N 0 3 364.373 1.667 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000563646250 546631071 /nfs/dbraw/zinc/63/10/71/546631071.db2.gz NVGZPUXPOIICCM-UHFFFAOYSA-N 0 3 362.430 1.462 20 5 FDBDHN COC(=O)CC1(NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000564662270 546994294 /nfs/dbraw/zinc/99/42/94/546994294.db2.gz XXAPBRKUYYHSFQ-UHFFFAOYSA-N 0 3 351.359 1.617 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000566063895 547584836 /nfs/dbraw/zinc/58/48/36/547584836.db2.gz PSQXSDACDZUCLE-CYBMUJFWSA-N 0 3 374.319 1.883 20 5 FDBDHN CC(C)[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000567240975 548046668 /nfs/dbraw/zinc/04/66/68/548046668.db2.gz ILPYUTGUIBKJNP-HNNXBMFYSA-N 0 3 360.418 1.652 20 5 FDBDHN CN(C)C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000569283980 548861075 /nfs/dbraw/zinc/86/10/75/548861075.db2.gz SMRCUJCSATYANR-CYBMUJFWSA-N 0 3 365.821 1.906 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000570922317 549460298 /nfs/dbraw/zinc/46/02/98/549460298.db2.gz ORTMRZXBKQITIO-AWEZNQCLSA-N 0 3 372.443 1.282 20 5 FDBDHN CN(C)CCn1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000571580842 549697738 /nfs/dbraw/zinc/69/77/38/549697738.db2.gz WHEVIKAQADVUFW-UHFFFAOYSA-N 0 3 357.374 1.159 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000573956364 550237889 /nfs/dbraw/zinc/23/78/89/550237889.db2.gz YEDOVKLNLBZSPF-UHFFFAOYSA-N 0 3 360.374 1.069 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575989542 550499079 /nfs/dbraw/zinc/49/90/79/550499079.db2.gz OTTJPNWQWSTHLZ-JCKWVBRZSA-N 0 3 360.414 1.407 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000582827971 551271010 /nfs/dbraw/zinc/27/10/10/551271010.db2.gz FDZQGLVQJNBAJD-LBPRGKRZSA-N 0 3 374.397 1.320 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000588064130 551644287 /nfs/dbraw/zinc/64/42/87/551644287.db2.gz ZSRHZEMALISXNU-CJNGLKHVSA-N 0 3 362.430 1.704 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000588258608 551662667 /nfs/dbraw/zinc/66/26/67/551662667.db2.gz VWVDLGFBOBYFHD-OAHLLOKOSA-N 0 3 362.430 1.510 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588864032 551694413 /nfs/dbraw/zinc/69/44/13/551694413.db2.gz WYJZFSPDOKYHHK-GJZGRUSLSA-N 0 3 360.414 1.450 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000589407757 551727849 /nfs/dbraw/zinc/72/78/49/551727849.db2.gz GGLKXDWQZLLPRP-UHFFFAOYSA-N 0 3 374.401 1.493 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590442317 551784615 /nfs/dbraw/zinc/78/46/15/551784615.db2.gz FKAFMPHMXWGUBI-SWLSCSKDSA-N 0 3 374.397 1.445 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)[C@@H]2C1 ZINC000590445109 551785364 /nfs/dbraw/zinc/78/53/64/551785364.db2.gz NOGRPZBVJJHTQG-BXUZGUMPSA-N 0 3 351.428 1.455 20 5 FDBDHN C[C@@H]1COCCN1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000590554400 551791653 /nfs/dbraw/zinc/79/16/53/551791653.db2.gz BNJTWIHPIBVGLL-GFCCVEGCSA-N 0 3 373.413 1.796 20 5 FDBDHN COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590599815 551796958 /nfs/dbraw/zinc/79/69/58/551796958.db2.gz QRTNBVCSOJRQGG-RYUDHWBXSA-N 0 3 361.345 1.312 20 5 FDBDHN COCCN1CCC[C@@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000590689679 551805420 /nfs/dbraw/zinc/80/54/20/551805420.db2.gz HJVBRUGFNUEPLV-CQSZACIVSA-N 0 3 351.403 1.833 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591310685 551860465 /nfs/dbraw/zinc/86/04/65/551860465.db2.gz BKFXKFZVBCSREN-UHFFFAOYSA-N 0 3 357.370 1.836 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000591324709 551861787 /nfs/dbraw/zinc/86/17/87/551861787.db2.gz VXWHXVABZFLFSG-NSHDSACASA-N 0 3 371.415 1.002 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000591735091 551904837 /nfs/dbraw/zinc/90/48/37/551904837.db2.gz QMWHPLZNURGMIW-CQSZACIVSA-N 0 3 353.444 1.442 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592104305 551942307 /nfs/dbraw/zinc/94/23/07/551942307.db2.gz RLCKBFNKFSTDFP-UHFFFAOYSA-N 0 3 369.443 1.221 20 5 FDBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592196232 551956719 /nfs/dbraw/zinc/95/67/19/551956719.db2.gz MAGBOYMPCIIGSE-OCCSQVGLSA-N 0 3 365.386 1.088 20 5 FDBDHN COc1cc(CNCC(C)(C)[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000592374756 551985893 /nfs/dbraw/zinc/98/58/93/551985893.db2.gz HKJMKYYYRMJTSB-QGZVFWFLSA-N 0 3 354.403 1.879 20 5 FDBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)Cc2ccccc2C1 ZINC000592563309 552009554 /nfs/dbraw/zinc/00/95/54/552009554.db2.gz ULACWOIUOLGCPJ-UHFFFAOYSA-N 0 3 355.398 1.451 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000593020080 552053591 /nfs/dbraw/zinc/05/35/91/552053591.db2.gz ISACSCJJGVZAKU-LSDHHAIUSA-N 0 3 353.444 1.859 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593410593 552104629 /nfs/dbraw/zinc/10/46/29/552104629.db2.gz VWLWUSBMBCAUNH-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594196796 552263522 /nfs/dbraw/zinc/26/35/22/552263522.db2.gz MSPXWWVWBXJIDE-RDJZCZTQSA-N 0 3 370.413 1.922 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594317731 552286454 /nfs/dbraw/zinc/28/64/54/552286454.db2.gz GODOMMATIOOJJP-UKRRQHHQSA-N 0 3 369.425 2.424 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594621963 552343214 /nfs/dbraw/zinc/34/32/14/552343214.db2.gz KVHJGIZMIMHNIK-RDJZCZTQSA-N 0 3 374.441 1.653 20 5 FDBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594717970 552363082 /nfs/dbraw/zinc/36/30/82/552363082.db2.gz JBUMUYCJUNLCJC-SWLSCSKDSA-N 0 3 358.416 1.010 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000594775884 552380207 /nfs/dbraw/zinc/38/02/07/552380207.db2.gz MQONMLLNMRGVOI-OCCSQVGLSA-N 0 3 366.443 1.627 20 5 FDBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000594820306 552397876 /nfs/dbraw/zinc/39/78/76/552397876.db2.gz ARSCFWGFNKENMQ-NSHDSACASA-N 0 3 352.416 1.762 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595384020 552544014 /nfs/dbraw/zinc/54/40/14/552544014.db2.gz HQAWUOKVNSVZKU-CQSZACIVSA-N 0 3 369.443 1.123 20 5 FDBDHN CO[C@@]1(CO)CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595657284 552598494 /nfs/dbraw/zinc/59/84/94/552598494.db2.gz ALSBTDPGEQQEAO-KRWDZBQOSA-N 0 3 351.403 1.705 20 5 FDBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595665508 552600230 /nfs/dbraw/zinc/60/02/30/552600230.db2.gz XZOZMSPWUYSQOI-SWLSCSKDSA-N 0 3 351.359 1.152 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000595802148 552617662 /nfs/dbraw/zinc/61/76/62/552617662.db2.gz ZWBIGHKDZAIFGO-CQSZACIVSA-N 0 3 362.434 1.306 20 5 FDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595850005 552623216 /nfs/dbraw/zinc/62/32/16/552623216.db2.gz KCUWTZRVNQJVRT-CABCVRRESA-N 0 3 365.430 1.571 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596048444 552649462 /nfs/dbraw/zinc/64/94/62/552649462.db2.gz AYSLLUPQLIKUGR-JTQLQIEISA-N 0 3 355.338 1.722 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000596068982 552652078 /nfs/dbraw/zinc/65/20/78/552652078.db2.gz CNAZXIMOQPOKOT-CVEARBPZSA-N 0 3 361.402 1.041 20 5 FDBDHN Cn1c2cc(NCCCN3CCC(O)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596086587 552653755 /nfs/dbraw/zinc/65/37/55/552653755.db2.gz SJVUPHBKEVFNJV-UHFFFAOYSA-N 0 3 363.418 1.044 20 5 FDBDHN NC(=O)c1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000596189245 552663065 /nfs/dbraw/zinc/66/30/65/552663065.db2.gz HLOOQLQKMATGGY-INIZCTEOSA-N 0 3 370.409 1.872 20 5 FDBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596581192 552691330 /nfs/dbraw/zinc/69/13/30/552691330.db2.gz XELGQQIOWIDWCQ-UHFFFAOYSA-N 0 3 357.819 1.541 20 5 FDBDHN COc1ccc(CC(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000597574330 552806935 /nfs/dbraw/zinc/80/69/35/552806935.db2.gz POMUBIBHXVVXGD-QGZVFWFLSA-N 0 3 351.403 1.061 20 5 FDBDHN CN1CCN(CC2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597694740 552823318 /nfs/dbraw/zinc/82/33/18/552823318.db2.gz NHJGXJRMZPGRCS-UHFFFAOYSA-N 0 3 360.458 1.578 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925896 552846442 /nfs/dbraw/zinc/84/64/42/552846442.db2.gz XXBIASIAXQPTQR-QWHCGFSZSA-N 0 3 366.466 1.816 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598195611 552875119 /nfs/dbraw/zinc/87/51/19/552875119.db2.gz PMCHKMKOQGBUMZ-INIZCTEOSA-N 0 3 357.414 1.567 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598195845 552875185 /nfs/dbraw/zinc/87/51/85/552875185.db2.gz UOEMGSQMPYKJCS-MRXNPFEDSA-N 0 3 357.414 1.567 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598341442 552886988 /nfs/dbraw/zinc/88/69/88/552886988.db2.gz BNLXAYRJGBZFBI-CHWSQXEVSA-N 0 3 364.402 1.393 20 5 FDBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598719788 552927938 /nfs/dbraw/zinc/92/79/38/552927938.db2.gz IQQXLGUZHKCNRD-JTQLQIEISA-N 0 3 355.338 1.722 20 5 FDBDHN CCN1CCN(CC(C)(C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000598742887 552930175 /nfs/dbraw/zinc/93/01/75/552930175.db2.gz NGUSROLVZGQPKH-UHFFFAOYSA-N 0 3 366.466 1.022 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000598900331 552941409 /nfs/dbraw/zinc/94/14/09/552941409.db2.gz KGKVKADXYYXJCX-DGCLKSJQSA-N 0 3 361.402 1.458 20 5 FDBDHN C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069587 552964608 /nfs/dbraw/zinc/96/46/08/552964608.db2.gz HWLGIAJLJQSIBZ-GXTWGEPZSA-N 0 3 353.386 1.962 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(N3CCOCC3)CC2)c1 ZINC000599474335 553068036 /nfs/dbraw/zinc/06/80/36/553068036.db2.gz OZGGVBYWJFWPOX-QGZVFWFLSA-N 0 3 365.430 1.131 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574824 553092569 /nfs/dbraw/zinc/09/25/69/553092569.db2.gz DHBPIDDKGHNPJY-GFCCVEGCSA-N 0 3 358.402 1.992 20 5 FDBDHN CCN(CCO)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599771265 553143195 /nfs/dbraw/zinc/14/31/95/553143195.db2.gz XNLZDPNZSXBZDN-UHFFFAOYSA-N 0 3 360.208 1.401 20 5 FDBDHN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCN(C)CC1 ZINC000599985276 553193869 /nfs/dbraw/zinc/19/38/69/553193869.db2.gz BIYPKJSKCSMNLJ-UHFFFAOYSA-N 0 3 374.397 1.134 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000601391437 553392169 /nfs/dbraw/zinc/39/21/69/553392169.db2.gz OYKUZZOYVXBLRP-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000602452113 553584420 /nfs/dbraw/zinc/58/44/20/553584420.db2.gz GELHWVSDEKZQHN-UHFFFAOYSA-N 0 3 358.446 1.862 20 5 FDBDHN CNC(=O)CN1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602507920 553595725 /nfs/dbraw/zinc/59/57/25/553595725.db2.gz JFXFKHASXIBJDA-UHFFFAOYSA-N 0 3 374.363 1.914 20 5 FDBDHN O=C1[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C1CCC1 ZINC000602731307 553629151 /nfs/dbraw/zinc/62/91/51/553629151.db2.gz VNXZWAZPCUJFQP-MRXNPFEDSA-N 0 3 359.430 1.702 20 5 FDBDHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602942209 553675895 /nfs/dbraw/zinc/67/58/95/553675895.db2.gz LPCKHXCRTQNJFO-KRWDZBQOSA-N 0 3 357.414 1.765 20 5 FDBDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000603418339 553783250 /nfs/dbraw/zinc/78/32/50/553783250.db2.gz YZWUYMGBNBZYLF-UHFFFAOYSA-N 0 3 356.448 1.876 20 5 FDBDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000603418125 553783402 /nfs/dbraw/zinc/78/34/02/553783402.db2.gz VDMQMAHDSDNTHO-UHFFFAOYSA-N 0 3 356.448 1.876 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609382791 554372997 /nfs/dbraw/zinc/37/29/97/554372997.db2.gz DOLJYVCSZXJJQU-CQSZACIVSA-N 0 3 355.398 1.995 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000609448616 554378004 /nfs/dbraw/zinc/37/80/04/554378004.db2.gz OWUWWIUISCSZCU-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609517589 554386440 /nfs/dbraw/zinc/38/64/40/554386440.db2.gz AVCJCNFUORDINM-OLZOCXBDSA-N 0 3 364.402 1.345 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000609533529 554388949 /nfs/dbraw/zinc/38/89/49/554388949.db2.gz RUIHBOSBHMEFRA-BLLLJJGKSA-N 0 3 360.414 1.408 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609574795 554396122 /nfs/dbraw/zinc/39/61/22/554396122.db2.gz YOPJPSQFOXTAFH-CJNGLKHVSA-N 0 3 370.413 1.970 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC1CCN(C(C)=O)CC1 ZINC000610247499 554477674 /nfs/dbraw/zinc/47/76/74/554477674.db2.gz UXRZKFHVXRTFDZ-LLVKDONJSA-N 0 3 364.402 1.531 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000610768750 554559888 /nfs/dbraw/zinc/55/98/88/554559888.db2.gz FVCRVHMAUSZKAA-CQSZACIVSA-N 0 3 351.790 1.903 20 5 FDBDHN Cc1ccc([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000610810566 554565161 /nfs/dbraw/zinc/56/51/61/554565161.db2.gz ADIMCNWFYUBSGA-AWEZNQCLSA-N 0 3 370.475 1.131 20 5 FDBDHN COc1ccc(-c2ccc(CNCCc3nnnn3C)o2)c([N+](=O)[O-])c1 ZINC000611314631 554624881 /nfs/dbraw/zinc/62/48/81/554624881.db2.gz WDDZDFQUCROPEP-UHFFFAOYSA-N 0 3 358.358 1.719 20 5 FDBDHN COC(=O)c1cc(NC(=O)N[C@H]2CCCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000617016983 555373591 /nfs/dbraw/zinc/37/35/91/555373591.db2.gz LRUPSNWJURLFOI-LBPRGKRZSA-N 0 3 350.375 1.906 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000619491975 555788077 /nfs/dbraw/zinc/78/80/77/555788077.db2.gz IUPYOLMNJWCMSH-STQMWFEESA-N 0 3 369.443 1.708 20 5 FDBDHN O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738374999 598245309 /nfs/dbraw/zinc/24/53/09/598245309.db2.gz XLQRCJFWMUHCSC-UHFFFAOYSA-N 0 3 374.405 1.227 20 5 FDBDHN O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738374999 598245311 /nfs/dbraw/zinc/24/53/11/598245311.db2.gz XLQRCJFWMUHCSC-UHFFFAOYSA-N 0 3 374.405 1.227 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273129292 674509189 /nfs/dbraw/zinc/50/91/89/674509189.db2.gz REWAKQIARCXMHB-WBVHZDCISA-N 0 3 350.346 1.797 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000273508097 674544233 /nfs/dbraw/zinc/54/42/33/674544233.db2.gz NDDKQJVUXXPBIB-ZIAGYGMSSA-N 0 3 350.444 1.829 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823635339 606858194 /nfs/dbraw/zinc/85/81/94/606858194.db2.gz WBOBXUSUUNGPGO-INIZCTEOSA-N 0 3 354.370 1.641 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635339 606858195 /nfs/dbraw/zinc/85/81/95/606858195.db2.gz WBOBXUSUUNGPGO-INIZCTEOSA-N 0 3 354.370 1.641 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277819964 675047164 /nfs/dbraw/zinc/04/71/64/675047164.db2.gz YGURRJNJJJNEEY-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CS[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1N(C)C ZINC000331592339 676732569 /nfs/dbraw/zinc/73/25/69/676732569.db2.gz OXELERGELNSPBK-HRCADAONSA-N 0 3 364.471 1.678 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C(F)(F)F)c1 ZINC000366301785 677431329 /nfs/dbraw/zinc/43/13/29/677431329.db2.gz FBKFXHQKHWRFPL-VROVMSAKSA-N 0 3 351.306 1.110 20 5 FDBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)c1 ZINC000366595076 677453758 /nfs/dbraw/zinc/45/37/58/677453758.db2.gz DRCAABMJLQJTQA-CMPLNLGQSA-N 0 3 352.313 1.368 20 5 FDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000376356298 678284725 /nfs/dbraw/zinc/28/47/25/678284725.db2.gz YLHAKBNDWNDZSJ-CJNGLKHVSA-N 0 3 353.444 1.983 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1F ZINC000412208552 679164588 /nfs/dbraw/zinc/16/45/88/679164588.db2.gz AXLRGQLFHFVLQZ-JSGCOSHPSA-N 0 3 371.434 1.789 20 5 FDBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000416497685 679640559 /nfs/dbraw/zinc/64/05/59/679640559.db2.gz UKAGDOOFFHFJFA-LLVKDONJSA-N 0 3 350.400 1.373 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCNC[C@@](C)(F)C1 ZINC000420325777 680431628 /nfs/dbraw/zinc/43/16/28/680431628.db2.gz BUOBXUFSGZRBNZ-BDJLRTHQSA-N 0 3 354.382 1.564 20 5 FDBDHN C[C@H]1[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1C ZINC000426211646 680952055 /nfs/dbraw/zinc/95/20/55/680952055.db2.gz UQZAOLHTSKBOBF-GXTWGEPZSA-N 0 3 350.423 1.621 20 5 FDBDHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000430640758 681088769 /nfs/dbraw/zinc/08/87/69/681088769.db2.gz KPSCIRSDOHIAAL-CQSZACIVSA-N 0 3 366.849 1.892 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431074073 681106549 /nfs/dbraw/zinc/10/65/49/681106549.db2.gz PKANNBCLIDAAOP-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN COCCN1CCC[C@@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450307551 682752355 /nfs/dbraw/zinc/75/23/55/682752355.db2.gz HFGRRJUBLUHZMH-CQSZACIVSA-N 0 3 351.403 1.833 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452785382 683118855 /nfs/dbraw/zinc/11/88/55/683118855.db2.gz SRRNKHKHRKIHDD-ZDUSSCGKSA-N 0 3 351.403 1.570 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCCN(CCCO)C1 ZINC000452796934 683120398 /nfs/dbraw/zinc/12/03/98/683120398.db2.gz NXSISLJLXCUEOR-NSHDSACASA-N 0 3 357.357 1.379 20 5 FDBDHN CNc1nc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000456014175 683557381 /nfs/dbraw/zinc/55/73/81/683557381.db2.gz WNNSKKLBZPXUPJ-KBPBESRZSA-N 0 3 365.459 1.683 20 5 FDBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000458893717 684339821 /nfs/dbraw/zinc/33/98/21/684339821.db2.gz XBWYVWDDMMCTPE-BBRMVZONSA-N 0 3 350.419 1.802 20 5 FDBDHN CCCCN(C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000489684957 687110903 /nfs/dbraw/zinc/11/09/03/687110903.db2.gz KGWHCASSUAWHNK-UHFFFAOYSA-N 0 3 373.431 1.376 20 5 FDBDHN CS[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000495580461 687627870 /nfs/dbraw/zinc/62/78/70/687627870.db2.gz KCXXPSRYFTZEPS-HUUCEWRRSA-N 0 3 352.460 1.535 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000520555670 690333829 /nfs/dbraw/zinc/33/38/29/690333829.db2.gz KYCODWCCNCJCEF-MRXNPFEDSA-N 0 3 351.403 1.543 20 5 FDBDHN C[N@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000525185918 694594310 /nfs/dbraw/zinc/59/43/10/694594310.db2.gz KGCMYQMCQBSVSR-UHFFFAOYSA-N 0 3 356.448 1.923 20 5 FDBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000525185918 694594311 /nfs/dbraw/zinc/59/43/11/694594311.db2.gz KGCMYQMCQBSVSR-UHFFFAOYSA-N 0 3 356.448 1.923 20 5 FDBDHN CC(C)[C@H](O)C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000574083397 694912757 /nfs/dbraw/zinc/91/27/57/694912757.db2.gz BILLVGDVGAVMKA-HNNXBMFYSA-N 0 3 356.444 1.755 20 5 FDBDHN Cc1ccc(-c2nnc(CN[C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)o2)cc1 ZINC001022064809 777712409 /nfs/dbraw/zinc/71/24/09/777712409.db2.gz NZVWWCLIYQPMBK-LXTVHRRPSA-N 0 3 371.397 1.447 20 5 FDBDHN Cc1noc(C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000277270352 781276500 /nfs/dbraw/zinc/27/65/00/781276500.db2.gz ROUUDWAVHVEDGK-HOTGVXAUSA-N 0 3 372.385 1.417 20 5 FDBDHN C[C@@H](CO)N1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000364953194 785247489 /nfs/dbraw/zinc/24/74/89/785247489.db2.gz FQOJENAKEOTTFR-ZDUSSCGKSA-N 0 3 362.430 1.380 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC000377725695 792650724 /nfs/dbraw/zinc/65/07/24/792650724.db2.gz RFQWZMMLBDROJD-ZIAGYGMSSA-N 0 3 365.434 1.980 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000365816345 794520278 /nfs/dbraw/zinc/52/02/78/794520278.db2.gz NCRSZOGHDADAMN-IAQYHMDHSA-N 0 3 358.402 1.707 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000279009568 808066293 /nfs/dbraw/zinc/06/62/93/808066293.db2.gz HNNBSXDFDXNWIO-KRWDZBQOSA-N 0 3 372.425 1.506 20 5 FDBDHN COc1ccnc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c1 ZINC000981765060 808451734 /nfs/dbraw/zinc/45/17/34/808451734.db2.gz OHKSVDFMQDTICR-HZPDHXFCSA-N 0 3 360.414 1.180 20 5 FDBDHN COC(=O)CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182123221 808849234 /nfs/dbraw/zinc/84/92/34/808849234.db2.gz UNGVGFLGHGGEIM-HNNXBMFYSA-N 0 3 365.430 1.933 20 5 FDBDHN COC1([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421026096 813912869 /nfs/dbraw/zinc/91/28/69/813912869.db2.gz FAYUEZUUVPRANP-ZDUSSCGKSA-N 0 3 363.414 1.658 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000502835938 814286559 /nfs/dbraw/zinc/28/65/59/814286559.db2.gz KBZBHLONMMQLSW-RTXFEEFZSA-N 0 3 364.402 1.435 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2C(=O)NC)c([N+](=O)[O-])c1 ZINC000502855846 814293785 /nfs/dbraw/zinc/29/37/85/814293785.db2.gz LAQZWYVJHKYGCF-STQMWFEESA-N 0 3 364.402 1.436 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000515387543 816228409 /nfs/dbraw/zinc/22/84/09/816228409.db2.gz GBXWFLDCFKJBMX-MRXNPFEDSA-N 0 3 371.340 1.383 20 5 FDBDHN O=C1CCN1c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516645981 816942684 /nfs/dbraw/zinc/94/26/84/816942684.db2.gz YQKUVEPBIZMDOG-QGZVFWFLSA-N 0 3 371.393 1.861 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426844041 818568251 /nfs/dbraw/zinc/56/82/51/818568251.db2.gz VWUPRVMRBNWZLR-AWEZNQCLSA-N 0 3 364.446 1.607 20 5 FDBDHN CCCCCC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441524829 820022055 /nfs/dbraw/zinc/02/20/55/820022055.db2.gz NXZLVXBLDOGGCF-INIZCTEOSA-N 0 3 367.450 1.313 20 5 FDBDHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C2CC2)C1 ZINC000521362283 821230860 /nfs/dbraw/zinc/23/08/60/821230860.db2.gz DFNFCYNMSUTBHD-CQSZACIVSA-N 0 3 374.397 1.015 20 5 FDBDHN Cn1ccnc1[C@H](NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000449387415 829479351 /nfs/dbraw/zinc/47/93/51/829479351.db2.gz LNIMGKNUXUNRBN-ZWKOTPCHSA-N 0 3 373.457 1.854 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000531385538 830721107 /nfs/dbraw/zinc/72/11/07/830721107.db2.gz PAYSSTBKWWWMRE-UHFFFAOYSA-N 0 3 362.430 1.738 20 5 FDBDHN CC(C)n1ccc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964511 831933234 /nfs/dbraw/zinc/93/32/34/831933234.db2.gz MSOYJWGVUFSSQU-IAGOWNOFSA-N 0 3 363.462 1.800 20 5 FDBDHN COc1ccc(-c2ccc(CNC[C@H](O)Cn3ccnn3)o2)c([N+](=O)[O-])c1 ZINC000459706519 838910412 /nfs/dbraw/zinc/91/04/12/838910412.db2.gz VXDWPXIRGCCGHT-LBPRGKRZSA-N 0 3 373.369 1.606 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000477721321 842746695 /nfs/dbraw/zinc/74/66/95/842746695.db2.gz HOTBMJZSENYUPI-UHFFFAOYSA-N 0 3 374.401 1.029 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1 ZINC000899396241 846165477 /nfs/dbraw/zinc/16/54/77/846165477.db2.gz ASMZDMDJTDRXTC-KRWDZBQOSA-N 0 3 357.414 1.910 20 5 FDBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000899726091 846627769 /nfs/dbraw/zinc/62/77/69/846627769.db2.gz GRFCMXXCOWZEHY-UHFFFAOYSA-N 0 3 350.419 1.239 20 5 FDBDHN CN1CCC(N(CCO)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000911936578 859163069 /nfs/dbraw/zinc/16/30/69/859163069.db2.gz CBYVZXZDXBZSIX-UHFFFAOYSA-N 0 3 353.444 1.602 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c1 ZINC000916664293 882018807 /nfs/dbraw/zinc/01/88/07/882018807.db2.gz VFCSXSOKEUTOSG-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000457105493 867285650 /nfs/dbraw/zinc/28/56/50/867285650.db2.gz CNUROFKSYSQKFI-OAHLLOKOSA-N 0 3 358.402 1.730 20 5 FDBDHN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000915205479 875736865 /nfs/dbraw/zinc/73/68/65/875736865.db2.gz KOBUIGPIUCLSRU-GFCCVEGCSA-N 0 3 373.413 1.320 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915526264 877010313 /nfs/dbraw/zinc/01/03/13/877010313.db2.gz WKZOBNGLGVAODY-KRWDZBQOSA-N 0 3 367.471 1.885 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272688895 879078179 /nfs/dbraw/zinc/07/81/79/879078179.db2.gz WSSRHNMKQYWOIB-BBRMVZONSA-N 0 3 370.413 1.650 20 5 FDBDHN COc1ccc(F)cc1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005382295 883140995 /nfs/dbraw/zinc/14/09/95/883140995.db2.gz PLIBBELDJYMGKY-HZPDHXFCSA-N 0 3 365.405 1.922 20 5 FDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000262761231 884731929 /nfs/dbraw/zinc/73/19/29/884731929.db2.gz ILJMDPOHLSYYQO-NWDGAFQWSA-N 0 3 362.386 1.492 20 5 FDBDHN COCCCOC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273368613 912999630 /nfs/dbraw/zinc/99/96/30/912999630.db2.gz RLJPBXPBFBOTDQ-HNNXBMFYSA-N 0 3 368.430 1.852 20 5 FDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000282537351 888287141 /nfs/dbraw/zinc/28/71/41/888287141.db2.gz SBDXEZJIKSWXNE-AWEZNQCLSA-N 0 3 372.429 1.549 20 5 FDBDHN CC(C)(C)N1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000732568251 919804239 /nfs/dbraw/zinc/80/42/39/919804239.db2.gz MHVIKNONSCSQRD-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000733162613 920710602 /nfs/dbraw/zinc/71/06/02/920710602.db2.gz PQHINTNHBPLGBJ-CQSZACIVSA-N 0 3 374.445 1.087 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3nnc(COc4ccccn4)n3CC2)C1 ZINC001169018783 928239644 /nfs/dbraw/zinc/23/96/44/928239644.db2.gz DSKOKALAISJLOS-LSDHHAIUSA-N 0 3 372.429 1.556 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000804349934 929179152 /nfs/dbraw/zinc/17/91/52/929179152.db2.gz RENPCLHUMZMGPD-ZDUSSCGKSA-N 0 3 364.402 1.832 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000787092695 932156820 /nfs/dbraw/zinc/15/68/20/932156820.db2.gz SCYIJSUYLKOESR-IBGZPJMESA-N 0 3 370.409 1.544 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1F ZINC000822879052 945280933 /nfs/dbraw/zinc/28/09/33/945280933.db2.gz PJLPELIZRHHISX-QWRGUYRKSA-N 0 3 353.350 1.336 20 5 FDBDHN CSCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813105698 941328773 /nfs/dbraw/zinc/32/87/73/941328773.db2.gz SABUVMRBYZSVMN-GWCFXTLKSA-N 0 3 366.395 1.613 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N+](=O)[O-] ZINC000813108143 941334233 /nfs/dbraw/zinc/33/42/33/941334233.db2.gz BCKJINRWFVYOTC-SECBINFHSA-N 0 3 362.791 1.556 20 5 FDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000813115730 941336808 /nfs/dbraw/zinc/33/68/08/941336808.db2.gz YVDMPPHRYNRWKL-GFCCVEGCSA-N 0 3 360.407 1.859 20 5 FDBDHN C[C@@H]1[C@@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000816469666 942206455 /nfs/dbraw/zinc/20/64/55/942206455.db2.gz BGDKPZCFZZNRFG-HIFRSBDPSA-N 0 3 359.386 1.783 20 5 FDBDHN Cc1ncc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819179778 943463787 /nfs/dbraw/zinc/46/37/87/943463787.db2.gz QCFSRVGSIODXSN-UHFFFAOYSA-N 0 3 355.441 1.966 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000819336014 943531729 /nfs/dbraw/zinc/53/17/29/943531729.db2.gz BSBATCHGFUYMHY-BBRMVZONSA-N 0 3 362.407 1.789 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000821051808 944337004 /nfs/dbraw/zinc/33/70/04/944337004.db2.gz GZGAKKAZGZFBEZ-HNNXBMFYSA-N 0 3 353.394 1.630 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000823195790 945557049 /nfs/dbraw/zinc/55/70/49/945557049.db2.gz LMGXVVIGEFQHOQ-LBPRGKRZSA-N 0 3 364.377 1.906 20 5 FDBDHN Cc1cc(F)cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000844036604 947637610 /nfs/dbraw/zinc/63/76/10/947637610.db2.gz QKRPNKWZZRDXOW-LLVKDONJSA-N 0 3 352.366 1.234 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844148774 947804888 /nfs/dbraw/zinc/80/48/88/947804888.db2.gz DGYRJDNWHUOHHH-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN CC([C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872731 950043236 /nfs/dbraw/zinc/04/32/36/950043236.db2.gz MWIUSIAEWZBTRL-QLJPJBMISA-N 0 3 352.318 1.614 20 5 FDBDHN CC(=O)c1cn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845883266 950063628 /nfs/dbraw/zinc/06/36/28/950063628.db2.gz RGZBUKUOIOOSTN-PSLIRLAXSA-N 0 3 350.306 1.570 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000466767290 971760538 /nfs/dbraw/zinc/76/05/38/971760538.db2.gz LLNYIUWODHUABE-GOEBONIOSA-N 0 3 373.457 1.909 20 5 FDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC001197844917 972469502 /nfs/dbraw/zinc/46/95/02/972469502.db2.gz PTVHZQHLNOAUOT-IOASZLSFSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCc2c[n-][nH]c2=O)c1F ZINC001173176230 961951933 /nfs/dbraw/zinc/95/19/33/961951933.db2.gz FHBAGQKUDUVGSF-GHMZBOCLSA-N 0 3 352.366 1.775 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCc2c[n-][nH]c2=O)c1F ZINC001173176239 961952153 /nfs/dbraw/zinc/95/21/53/961952153.db2.gz FHBAGQKUDUVGSF-QWRGUYRKSA-N 0 3 352.366 1.775 20 5 FDBDHN CC(C)[C@H](NC(=O)[C@H](C)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173231169 961970919 /nfs/dbraw/zinc/97/09/19/961970919.db2.gz YDSCZOGKNRJYFH-HUBLWGQQSA-N 0 3 350.419 1.130 20 5 FDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001173229944 961971105 /nfs/dbraw/zinc/97/11/05/961971105.db2.gz YCSHMGSAJKJWJO-GFCCVEGCSA-N 0 3 357.414 1.943 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001182873841 962619589 /nfs/dbraw/zinc/61/95/89/962619589.db2.gz MPEASUAUHJWGBI-IACUBPJLSA-N 0 3 354.403 1.965 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001175180757 963087308 /nfs/dbraw/zinc/08/73/08/963087308.db2.gz QVNMLWRVXVSZHQ-IRXDYDNUSA-N 0 3 363.414 1.468 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001175180754 963087530 /nfs/dbraw/zinc/08/75/30/963087530.db2.gz QVNMLWRVXVSZHQ-DLBZAZTESA-N 0 3 363.414 1.468 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001176203096 963388955 /nfs/dbraw/zinc/38/89/55/963388955.db2.gz VPNGKTPMQURRON-UONOGXRCSA-N 0 3 351.403 1.873 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001176203097 963389341 /nfs/dbraw/zinc/38/93/41/963389341.db2.gz VPNGKTPMQURRON-ZIAGYGMSSA-N 0 3 351.403 1.873 20 5 FDBDHN O=C(NCCCCCCNCc1nc(CC2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001178464669 964246292 /nfs/dbraw/zinc/24/62/92/964246292.db2.gz WTQYEVAFJAXMAE-ZIAGYGMSSA-N 0 3 365.434 1.454 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001180052654 965090015 /nfs/dbraw/zinc/09/00/15/965090015.db2.gz CPJGHSPUDPFZEO-QZTJIDSGSA-N 0 3 372.425 1.676 20 5 FDBDHN O=C(CN[C@H]1C[C@H](O)C12CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852584826 967446899 /nfs/dbraw/zinc/44/68/99/967446899.db2.gz RUURGJDBVZEZSK-IRXDYDNUSA-N 0 3 374.441 1.137 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000854643816 969048533 /nfs/dbraw/zinc/04/85/33/969048533.db2.gz YGVVJYAOPYHYBK-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN C[NH+](C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001195097757 970685889 /nfs/dbraw/zinc/68/58/89/970685889.db2.gz LLCDBMULGJMGNN-ZIAGYGMSSA-N 0 3 357.407 1.885 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865997317 974613356 /nfs/dbraw/zinc/61/33/56/974613356.db2.gz YYWNXVNSKVKZBS-QMMMGPOBSA-N 0 3 351.329 1.604 20 5 FDBDHN NS(=O)(=O)c1ccc(CNCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001202226688 975268213 /nfs/dbraw/zinc/26/82/13/975268213.db2.gz GDQHNPZIVWJVMQ-UHFFFAOYSA-N 0 3 353.375 1.714 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000867566586 976385508 /nfs/dbraw/zinc/38/55/08/976385508.db2.gz RXAQNQNCOPVNAP-UHFFFAOYSA-N 0 3 350.419 1.318 20 5 FDBDHN C[NH+](C)C1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000848583540 976915384 /nfs/dbraw/zinc/91/53/84/976915384.db2.gz VGPDMXQIOMLTCR-UHFFFAOYSA-N 0 3 373.356 1.793 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867815313 976926054 /nfs/dbraw/zinc/92/60/54/976926054.db2.gz ZPIYHDBBANPQNL-PWSUYJOCSA-N 0 3 359.835 1.963 20 5 FDBDHN O=C1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CN1 ZINC000851748311 979027664 /nfs/dbraw/zinc/02/76/64/979027664.db2.gz LYFMIGLVZHBLHP-NSHDSACASA-N 0 3 372.347 1.872 20 5 FDBDHN Nc1nc(N)nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000858533703 982100052 /nfs/dbraw/zinc/10/00/52/982100052.db2.gz VWLWHMYHWZCYES-UHFFFAOYSA-N 0 3 366.179 1.269 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCNCCC23CCC3)cc1 ZINC000883478925 982197989 /nfs/dbraw/zinc/19/79/89/982197989.db2.gz FWXXZDLCGFZTGO-UHFFFAOYSA-N 0 3 353.444 1.685 20 5 FDBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC001202611479 982664117 /nfs/dbraw/zinc/66/41/17/982664117.db2.gz IYJGFQWYNLURON-YGRLFVJLSA-N 0 3 362.329 1.641 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001137205219 982991842 /nfs/dbraw/zinc/99/18/42/982991842.db2.gz WATOPUBILSXPHV-TXEJJXNPSA-N 0 3 351.407 1.191 20 5 FDBDHN COC(=O)c1cnn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000860854490 983539438 /nfs/dbraw/zinc/53/94/38/983539438.db2.gz BEYLJBQIENCYLL-MEBBXXQBSA-N 0 3 365.317 1.759 20 5 FDBDHN C[C@H](C(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000869779116 985329721 /nfs/dbraw/zinc/32/97/21/985329721.db2.gz VBXMKAHTBSJRMI-RYUDHWBXSA-N 0 3 353.394 1.799 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872780155 988050342 /nfs/dbraw/zinc/05/03/42/988050342.db2.gz KCAONBVFOAXVLL-CHWSQXEVSA-N 0 3 354.432 1.176 20 5 FDBDHN Cc1ccc(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000825634288 988216905 /nfs/dbraw/zinc/21/69/05/988216905.db2.gz PIYJRDTVZVVIDA-DLBZAZTESA-N 0 3 371.441 1.988 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000363008712 988820701 /nfs/dbraw/zinc/82/07/01/988820701.db2.gz GDSVCBCGGCSKJD-UHFFFAOYSA-N 0 3 365.434 1.455 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000363008712 988820720 /nfs/dbraw/zinc/82/07/20/988820720.db2.gz GDSVCBCGGCSKJD-UHFFFAOYSA-N 0 3 365.434 1.455 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000363348328 989116479 /nfs/dbraw/zinc/11/64/79/989116479.db2.gz FJKOAFLQFIYEBC-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN CCOc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363706966 989401019 /nfs/dbraw/zinc/40/10/19/989401019.db2.gz DTPJNXCCSFFOIB-HNNXBMFYSA-N 0 3 363.414 1.977 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874851014 990580001 /nfs/dbraw/zinc/58/00/01/990580001.db2.gz YYACZBIGXZWIKF-HOTGVXAUSA-N 0 3 360.414 1.328 20 5 FDBDHN CC(C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796593460 1015580779 /nfs/dbraw/zinc/58/07/79/1015580779.db2.gz RKPQDKRSUFOYRY-CQSZACIVSA-N 0 3 351.403 1.325 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280719 992103221 /nfs/dbraw/zinc/10/32/21/992103221.db2.gz MMKLHNZZWXRCTM-YXWQFLTLSA-N 0 3 363.414 1.453 20 5 FDBDHN COC[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000876551341 992700509 /nfs/dbraw/zinc/70/05/09/992700509.db2.gz OWSYADIECJLVOJ-GOSISDBHSA-N 0 3 362.430 1.402 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000468971414 993726217 /nfs/dbraw/zinc/72/62/17/993726217.db2.gz OOKMPQDTIFWRPR-LBPRGKRZSA-N 0 3 360.370 1.072 20 5 FDBDHN COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000889768145 998626349 /nfs/dbraw/zinc/62/63/49/998626349.db2.gz DBZXWOWFXVRFPP-GJZGRUSLSA-N 0 3 363.414 1.204 20 5 FDBDHN C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246057 998941324 /nfs/dbraw/zinc/94/13/24/998941324.db2.gz RYLOUDBFZWRMLG-JSGCOSHPSA-N 0 3 351.403 1.973 20 5 FDBDHN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246057 998941326 /nfs/dbraw/zinc/94/13/26/998941326.db2.gz RYLOUDBFZWRMLG-JSGCOSHPSA-N 0 3 351.403 1.973 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000266843748 999245621 /nfs/dbraw/zinc/24/56/21/999245621.db2.gz HHXKIMBESBRCNO-YPMHNXCESA-N 0 3 362.386 1.237 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000270787013 999613947 /nfs/dbraw/zinc/61/39/47/999613947.db2.gz VTQWOQMSYNLMOE-UHFFFAOYSA-N 0 3 372.429 1.718 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)CCNC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000271240345 999678668 /nfs/dbraw/zinc/67/86/68/999678668.db2.gz OSOKBXYGOGJANQ-UHFFFAOYSA-N 0 3 366.418 1.636 20 5 FDBDHN C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2)C[C@H](C)O1 ZINC000285348499 999910573 /nfs/dbraw/zinc/91/05/73/999910573.db2.gz ZLLVQMBDFCJSFS-STQMWFEESA-N 0 3 373.413 1.857 20 5 FDBDHN O=C(NC[C@H]1CCN1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000927638957 1000956338 /nfs/dbraw/zinc/95/63/38/1000956338.db2.gz FUTPUNVRGWLGDJ-MRXNPFEDSA-N 0 3 374.441 1.916 20 5 FDBDHN CN1CC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931438734 1004163283 /nfs/dbraw/zinc/16/32/83/1004163283.db2.gz YYJUTRDWTHGKCL-KGLIPLIRSA-N 0 3 353.444 1.252 20 5 FDBDHN Cn1ccc([C@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932132309 1004784405 /nfs/dbraw/zinc/78/44/05/1004784405.db2.gz GREHDZPUKDFEIR-LSDHHAIUSA-N 0 3 360.414 1.948 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000932714396 1005118139 /nfs/dbraw/zinc/11/81/39/1005118139.db2.gz HADAGQTWLHJRDH-FHLIZLRMSA-N 0 3 360.458 1.698 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934261872 1005724572 /nfs/dbraw/zinc/72/45/72/1005724572.db2.gz SKTKHAPWBSABMG-KBRIMQKVSA-N 0 3 362.430 1.453 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935445812 1005913017 /nfs/dbraw/zinc/91/30/17/1005913017.db2.gz OQPSLNIFXGWPTR-JLSDUUJJSA-N 0 3 360.458 1.841 20 5 FDBDHN O=[N+]([O-])c1cn(CN2CCN(C3CCOCC3)CC2)nc1-c1ccncc1 ZINC000083114828 1011797724 /nfs/dbraw/zinc/79/77/24/1011797724.db2.gz XUHDZMVYEYURBE-UHFFFAOYSA-N 0 3 372.429 1.607 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000193387988 178160805 /nfs/dbraw/zinc/16/08/05/178160805.db2.gz ANLRNJRBZGPDER-UHFFFAOYSA-N 0 3 365.333 1.812 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194036604 178195748 /nfs/dbraw/zinc/19/57/48/178195748.db2.gz WEUIQNYQMHHCJS-CYBMUJFWSA-N 0 3 350.375 1.657 20 5 FDBDHN O=C1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000516964909 539337142 /nfs/dbraw/zinc/33/71/42/539337142.db2.gz CGPUDZXFXADOQU-PBHICJAKSA-N 0 3 371.393 1.730 20 5 FDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000517126055 539348528 /nfs/dbraw/zinc/34/85/28/539348528.db2.gz GRSMWVVMERPTIO-INIZCTEOSA-N 0 3 369.377 1.983 20 5 FDBDHN CCN1CCN(CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000524417446 539645386 /nfs/dbraw/zinc/64/53/86/539645386.db2.gz PBGOTFAOZMNRJY-UHFFFAOYSA-N 0 3 366.466 1.060 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934262406 781927955 /nfs/dbraw/zinc/92/79/55/781927955.db2.gz WPDIXGKUHSDPEM-DLBZAZTESA-N 0 3 362.430 1.373 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000268842661 180166597 /nfs/dbraw/zinc/16/65/97/180166597.db2.gz OUNQWSRVDLXMKU-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269625743 180343675 /nfs/dbraw/zinc/34/36/75/180343675.db2.gz COLUDMHWEVVWBH-FRFSOERESA-N 0 3 365.430 1.491 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)n1 ZINC000272832298 180810936 /nfs/dbraw/zinc/81/09/36/180810936.db2.gz MIIXFDBZMRFQQX-OAHLLOKOSA-N 0 3 373.413 1.215 20 5 FDBDHN CN(C)C/C=C/C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274791028 181166036 /nfs/dbraw/zinc/16/60/36/181166036.db2.gz PXPKFLUDBGMQKA-HWKANZROSA-N 0 3 372.429 1.628 20 5 FDBDHN O=c1cc2c(n[nH]1)CCN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000274830142 181173336 /nfs/dbraw/zinc/17/33/36/181173336.db2.gz ALPWOILQFKJQJK-UHFFFAOYSA-N 0 3 367.365 1.934 20 5 FDBDHN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397931 540159299 /nfs/dbraw/zinc/15/92/99/540159299.db2.gz YGJLMLLDRKBINJ-UHFFFAOYSA-N 0 3 358.329 1.727 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533192889 540213966 /nfs/dbraw/zinc/21/39/66/540213966.db2.gz WRCZLWKGLDSOAX-OAHLLOKOSA-N 0 3 358.402 1.215 20 5 FDBDHN CSC[C@@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000275197054 181258985 /nfs/dbraw/zinc/25/89/85/181258985.db2.gz PXPIRFIPVPWFTA-ZDUSSCGKSA-N 0 3 365.459 1.707 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535431493 540475455 /nfs/dbraw/zinc/47/54/55/540475455.db2.gz JSKDDDUVDVTJHS-UHFFFAOYSA-N 0 3 351.451 1.272 20 5 FDBDHN CC(C(=O)NCCc1cccc([N+](=O)[O-])c1)S(=O)(=O)C1CCOCC1 ZINC000536240366 540571065 /nfs/dbraw/zinc/57/10/65/540571065.db2.gz STFKERSXXRJUIZ-LBPRGKRZSA-N 0 3 370.427 1.236 20 5 FDBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000536517117 540606199 /nfs/dbraw/zinc/60/61/99/540606199.db2.gz IGJXFEQJJFCADZ-UHFFFAOYSA-N 0 3 369.443 1.884 20 5 FDBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1OCCO ZINC000539279266 540942287 /nfs/dbraw/zinc/94/22/87/540942287.db2.gz GYOWKIFXJVZUNK-GFCCVEGCSA-N 0 3 350.375 1.522 20 5 FDBDHN CCN1CCN(CCCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114560 541152319 /nfs/dbraw/zinc/15/23/19/541152319.db2.gz XZJSFLHWAWEVQY-UHFFFAOYSA-N 0 3 350.419 1.821 20 5 FDBDHN Cc1cc(NC[C@@H]2CS(=O)(=O)CCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541190722 541165753 /nfs/dbraw/zinc/16/57/53/541165753.db2.gz OEPBXHBAQYIVIP-GFCCVEGCSA-N 0 3 351.384 1.099 20 5 FDBDHN O=C(CCN1CC[C@H](N2CCCC2=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275547167 181347317 /nfs/dbraw/zinc/34/73/17/181347317.db2.gz BESYXGLIPJFSKX-ZDUSSCGKSA-N 0 3 364.377 1.759 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NCc1ccco1 ZINC000544000614 541698944 /nfs/dbraw/zinc/69/89/44/541698944.db2.gz WZCYRWXWQWWVHV-LBPRGKRZSA-N 0 3 360.370 1.811 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000277434316 181779188 /nfs/dbraw/zinc/77/91/88/181779188.db2.gz DXEUPQZTRLPNKX-QGZVFWFLSA-N 0 3 374.441 1.848 20 5 FDBDHN COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000282862327 182068144 /nfs/dbraw/zinc/06/81/44/182068144.db2.gz QLVMHSQKUSJTTR-SJCJKPOMSA-N 0 3 366.414 1.966 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc1 ZINC000546295852 542136877 /nfs/dbraw/zinc/13/68/77/542136877.db2.gz PGEVNEPATIOEIX-UHFFFAOYSA-N 0 3 359.346 1.225 20 5 FDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546568340 542166462 /nfs/dbraw/zinc/16/64/62/542166462.db2.gz NAZQUNZGJVAHJE-MRXNPFEDSA-N 0 3 353.444 1.893 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287114590 183215631 /nfs/dbraw/zinc/21/56/31/183215631.db2.gz YQRJBEFNZLMERN-LSDHHAIUSA-N 0 3 354.794 1.519 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CCS(=O)(=O)C1 ZINC000296520330 184174593 /nfs/dbraw/zinc/17/45/93/184174593.db2.gz PXLPNWFNNGPLRE-WFASDCNBSA-N 0 3 374.484 1.605 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000547293941 542302565 /nfs/dbraw/zinc/30/25/65/542302565.db2.gz CHBCQJRXSSNCMB-AWEZNQCLSA-N 0 3 359.835 1.523 20 5 FDBDHN CN(C)CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270005430 674152124 /nfs/dbraw/zinc/15/21/24/674152124.db2.gz CMDNPHMXGABGLY-UHFFFAOYSA-N 0 3 366.399 1.119 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000173260117 258294507 /nfs/dbraw/zinc/29/45/07/258294507.db2.gz WRKNHDROZPINCR-OCCSQVGLSA-N 0 3 371.459 1.954 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552027278 543407749 /nfs/dbraw/zinc/40/77/49/543407749.db2.gz BGNKMAKZOLCCBQ-MRXNPFEDSA-N 0 3 351.428 1.503 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000073987839 172072239 /nfs/dbraw/zinc/07/22/39/172072239.db2.gz FQFDRKKBHQOZCQ-SWLSCSKDSA-N 0 3 356.386 1.484 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1Cc2ccccc2C1 ZINC000090015318 172259085 /nfs/dbraw/zinc/25/90/85/172259085.db2.gz WQXHDGQCVVBYHJ-UHFFFAOYSA-N 0 3 361.423 1.630 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCN(CCCc2ccccc2)CC1 ZINC000101531569 172333496 /nfs/dbraw/zinc/33/34/96/172333496.db2.gz OKUJNJIIUVNXFM-UHFFFAOYSA-N 0 3 371.441 1.958 20 5 FDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCOCC1 ZINC000128500270 173111429 /nfs/dbraw/zinc/11/14/29/173111429.db2.gz OTEXACUIHZZKLU-UHFFFAOYSA-N 0 3 354.382 1.327 20 5 FDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133916333 173314950 /nfs/dbraw/zinc/31/49/50/173314950.db2.gz QFKFBMSJIBELIA-HNNXBMFYSA-N 0 3 360.418 1.263 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000134033034 173316956 /nfs/dbraw/zinc/31/69/56/173316956.db2.gz JIWOFMVZTBTOFE-CQSZACIVSA-N 0 3 362.430 1.950 20 5 FDBDHN CNC(=O)c1ccc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000135386650 173344139 /nfs/dbraw/zinc/34/41/39/173344139.db2.gz UQGWZSXBNASXDJ-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN CN(C)CCOc1cc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])ccn1 ZINC000135382688 173344192 /nfs/dbraw/zinc/34/41/92/173344192.db2.gz XPANMOVSNWUQPS-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000150720408 173378502 /nfs/dbraw/zinc/37/85/02/173378502.db2.gz SOQRCYIGWYVMHD-LBPRGKRZSA-N 0 3 355.822 1.875 20 5 FDBDHN COc1ccc(OCCN2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000175493574 174010192 /nfs/dbraw/zinc/01/01/92/174010192.db2.gz HSWMHQYIVPVJBA-UHFFFAOYSA-N 0 3 365.430 1.779 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177108564 174106044 /nfs/dbraw/zinc/10/60/44/174106044.db2.gz KONLAXVMIYPOQT-SCRDCRAPSA-N 0 3 360.414 1.455 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180051424 258361226 /nfs/dbraw/zinc/36/12/26/258361226.db2.gz GXYSZYJQPNRDBS-MRXNPFEDSA-N 0 3 355.460 1.883 20 5 FDBDHN Cc1cc(=O)n(CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000177793906 258326592 /nfs/dbraw/zinc/32/65/92/258326592.db2.gz KIOFUZPWOUWHAM-OAHLLOKOSA-N 0 3 358.398 1.484 20 5 FDBDHN Cc1cc([N+](=O)[O-])cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)c1=O ZINC000178340025 258328525 /nfs/dbraw/zinc/32/85/25/258328525.db2.gz JIYXAMRFEJTYPY-INIZCTEOSA-N 0 3 358.398 1.484 20 5 FDBDHN COc1cc(CCNC(=O)[C@]2(C)CCCCN2)c([N+](=O)[O-])cc1OC ZINC000180908047 258378031 /nfs/dbraw/zinc/37/80/31/258378031.db2.gz AWUXXDUDTDQMES-KRWDZBQOSA-N 0 3 351.403 1.803 20 5 FDBDHN Cn1ccnc1[C@@H](NCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000556862897 544215794 /nfs/dbraw/zinc/21/57/94/544215794.db2.gz HZSXWOCYMMQLEK-SFHVURJKSA-N 0 3 372.473 1.645 20 5 FDBDHN COc1ccc(CC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000559038223 544577211 /nfs/dbraw/zinc/57/72/11/544577211.db2.gz RXWBIBYPNQMDIB-UHFFFAOYSA-N 0 3 373.413 2.248 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299503346 259002143 /nfs/dbraw/zinc/00/21/43/259002143.db2.gz BRTDPHDQABWYFW-PWSUYJOCSA-N 0 3 368.821 1.985 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000301077778 259020727 /nfs/dbraw/zinc/02/07/27/259020727.db2.gz JHOAPOITSVEDKQ-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000301077777 259020808 /nfs/dbraw/zinc/02/08/08/259020808.db2.gz JHOAPOITSVEDKQ-GFCCVEGCSA-N 0 3 356.448 1.789 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](N2CCCC2)C1 ZINC000301231445 259023527 /nfs/dbraw/zinc/02/35/27/259023527.db2.gz FOMLOCYMYRQVOZ-ZDUSSCGKSA-N 0 3 354.432 1.307 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000331260948 259183499 /nfs/dbraw/zinc/18/34/99/259183499.db2.gz BUGVIDULNDHLTE-AWEZNQCLSA-N 0 3 371.459 1.274 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000367295075 260021722 /nfs/dbraw/zinc/02/17/22/260021722.db2.gz GTAPXXIXXSFJPH-INIZCTEOSA-N 0 3 350.394 1.648 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@]2(CCN(C)C2)C1 ZINC000368299305 260163723 /nfs/dbraw/zinc/16/37/23/260163723.db2.gz NJLZBGCJHYYGHN-INIZCTEOSA-N 0 3 364.358 1.822 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000369345507 260344504 /nfs/dbraw/zinc/34/45/04/260344504.db2.gz UWICGZUUBOMQSZ-OUCADQQQSA-N 0 3 365.434 1.500 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000369345724 260344715 /nfs/dbraw/zinc/34/47/15/260344715.db2.gz LMOGJVZLYNRYKE-HNNXBMFYSA-N 0 3 362.430 1.455 20 5 FDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCN(C2CCOCC2)CC1 ZINC000369551145 260388505 /nfs/dbraw/zinc/38/85/05/260388505.db2.gz RMOSVNCQRJVMEM-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000373921738 261052710 /nfs/dbraw/zinc/05/27/10/261052710.db2.gz OKXFQQFANOKCCG-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN CCc1nccc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374121672 261081166 /nfs/dbraw/zinc/08/11/66/261081166.db2.gz OGJRQDQZMWQLOP-HIFRSBDPSA-N 0 3 360.418 1.384 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000375022396 261249794 /nfs/dbraw/zinc/24/97/94/261249794.db2.gz QZCGKDFOYQLMTD-SMDDNHRTSA-N 0 3 360.370 1.055 20 5 FDBDHN Cc1cccc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000378437591 262025581 /nfs/dbraw/zinc/02/55/81/262025581.db2.gz GYIJNHMJFCIVRN-HNNXBMFYSA-N 0 3 361.402 1.399 20 5 FDBDHN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408310858 262092993 /nfs/dbraw/zinc/09/29/93/262092993.db2.gz UZIIACILXZAQAM-ZIAGYGMSSA-N 0 3 357.407 1.947 20 5 FDBDHN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000270756675 674260950 /nfs/dbraw/zinc/26/09/50/674260950.db2.gz DMIZZELWEYQMFZ-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000604526936 492062594 /nfs/dbraw/zinc/06/25/94/492062594.db2.gz WJZHJOQZLZVFSR-LBPRGKRZSA-N 0 3 374.401 1.110 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271310304 674333404 /nfs/dbraw/zinc/33/34/04/674333404.db2.gz LNJCEOYGXGGPKJ-UHFFFAOYSA-N 0 3 365.415 1.440 20 5 FDBDHN COC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000026219676 519108464 /nfs/dbraw/zinc/10/84/64/519108464.db2.gz VYNVSMZPWVRWRO-UHFFFAOYSA-N 0 3 365.386 1.817 20 5 FDBDHN CNC(=O)C1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000026341684 519117781 /nfs/dbraw/zinc/11/77/81/519117781.db2.gz IJCSEOFBEMEJEQ-UHFFFAOYSA-N 0 3 364.402 1.390 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000027744086 519195445 /nfs/dbraw/zinc/19/54/45/519195445.db2.gz QTCLCRDWYVYZSI-ZIAGYGMSSA-N 0 3 362.430 1.704 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000041321452 519652135 /nfs/dbraw/zinc/65/21/35/519652135.db2.gz ZWCAOPMKJYLIIZ-AWEZNQCLSA-N 0 3 350.419 1.934 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000041321457 519652163 /nfs/dbraw/zinc/65/21/63/519652163.db2.gz URZZRFRCTPDRCC-AWEZNQCLSA-N 0 3 350.419 1.934 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000041442746 519656571 /nfs/dbraw/zinc/65/65/71/519656571.db2.gz NSGSTUVCUQTTEK-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069502987 521893903 /nfs/dbraw/zinc/89/39/03/521893903.db2.gz MSNXIHHYBWXGOQ-MRXNPFEDSA-N 0 3 373.413 1.621 20 5 FDBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](C)N(C)C ZINC000056969310 521952848 /nfs/dbraw/zinc/95/28/48/521952848.db2.gz DUVMCFPZCYLAGC-GHMZBOCLSA-N 0 3 372.447 1.106 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089602 522152165 /nfs/dbraw/zinc/15/21/65/522152165.db2.gz JQYIWZMIHNNIRS-LBPRGKRZSA-N 0 3 354.432 1.177 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)cc1OC ZINC000046272592 522269901 /nfs/dbraw/zinc/26/99/01/522269901.db2.gz KRPVLWXYTIZWNX-NSHDSACASA-N 0 3 355.391 1.309 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072797539 522384267 /nfs/dbraw/zinc/38/42/67/522384267.db2.gz QYHQRUGRMODPDQ-OAHLLOKOSA-N 0 3 350.419 1.312 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072797538 522384670 /nfs/dbraw/zinc/38/46/70/522384670.db2.gz QYHQRUGRMODPDQ-HNNXBMFYSA-N 0 3 350.419 1.312 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C[C@H]2CCCO2)CC1 ZINC000073521096 522541767 /nfs/dbraw/zinc/54/17/67/522541767.db2.gz SCVXRLKXQJTLGM-CYBMUJFWSA-N 0 3 359.386 1.408 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049733087 522859773 /nfs/dbraw/zinc/85/97/73/522859773.db2.gz YXPJTKAYSLQZLK-UHFFFAOYSA-N 0 3 361.402 1.479 20 5 FDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065939234 522921083 /nfs/dbraw/zinc/92/10/83/522921083.db2.gz RBPYEWXSPSZQLP-UHFFFAOYSA-N 0 3 363.393 1.911 20 5 FDBDHN CS(=O)(=O)NCC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000053220147 523374977 /nfs/dbraw/zinc/37/49/77/523374977.db2.gz KJRRXZLWBIKZAK-OAHLLOKOSA-N 0 3 355.460 1.931 20 5 FDBDHN CN(CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582846 523469563 /nfs/dbraw/zinc/46/95/63/523469563.db2.gz TUAOSZUJMLPKEU-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000077928687 523501026 /nfs/dbraw/zinc/50/10/26/523501026.db2.gz YVVNJPCGGAHVLM-CYBMUJFWSA-N 0 3 365.434 1.604 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068222890 523734849 /nfs/dbraw/zinc/73/48/49/523734849.db2.gz IDKGMOWHASUKHC-ZFWWWQNUSA-N 0 3 364.446 1.806 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080248783 523857353 /nfs/dbraw/zinc/85/73/53/523857353.db2.gz ICDJSJHMPWQMJX-OAHLLOKOSA-N 0 3 363.462 1.173 20 5 FDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000080684713 523897313 /nfs/dbraw/zinc/89/73/13/523897313.db2.gz UVIDXWQIKOUIDZ-UHFFFAOYSA-N 0 3 356.448 1.377 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1=O ZINC000156865797 524165237 /nfs/dbraw/zinc/16/52/37/524165237.db2.gz DPSCVDYFCOHAIC-OAHLLOKOSA-N 0 3 374.441 1.496 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000157120809 524212655 /nfs/dbraw/zinc/21/26/55/524212655.db2.gz ZLWLOGWOVLTZTL-CABCVRRESA-N 0 3 370.413 1.732 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000136866843 524217887 /nfs/dbraw/zinc/21/78/87/524217887.db2.gz NZXQDLASQXISKN-ZDUSSCGKSA-N 0 3 353.444 1.845 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136991976 524224947 /nfs/dbraw/zinc/22/49/47/524224947.db2.gz KWNSAMKJNBTOFB-ZDUSSCGKSA-N 0 3 365.455 1.893 20 5 FDBDHN CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000111546007 524295506 /nfs/dbraw/zinc/29/55/06/524295506.db2.gz IUDPSABOYJXXNQ-LBPRGKRZSA-N 0 3 366.443 1.471 20 5 FDBDHN COCCN1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000140248702 524307014 /nfs/dbraw/zinc/30/70/14/524307014.db2.gz MFZJQXADICKBRI-UHFFFAOYSA-N 0 3 365.434 1.417 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174122532 524517347 /nfs/dbraw/zinc/51/73/47/524517347.db2.gz HDINBLALCIUXAJ-CYBMUJFWSA-N 0 3 365.434 1.608 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000089900141 524543294 /nfs/dbraw/zinc/54/32/94/524543294.db2.gz XWFUMPZCMRJNCL-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112918370 524595173 /nfs/dbraw/zinc/59/51/73/524595173.db2.gz AQWKDNFAYHVXGP-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1 ZINC000151625187 524633810 /nfs/dbraw/zinc/63/38/10/524633810.db2.gz RYZZBZDPHUGYFG-OAHLLOKOSA-N 0 3 353.444 1.842 20 5 FDBDHN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C[C@@H](C)O ZINC000174635762 524666545 /nfs/dbraw/zinc/66/65/45/524666545.db2.gz JDLATCDIVZWDBJ-NEPJUHHUSA-N 0 3 361.402 1.388 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000174748509 524723217 /nfs/dbraw/zinc/72/32/17/524723217.db2.gz ALNRVHZBYRIFAX-ROUUACIJSA-N 0 3 360.414 1.833 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000114378832 524778044 /nfs/dbraw/zinc/77/80/44/524778044.db2.gz KBUZWICIRKAOPX-UHFFFAOYSA-N 0 3 352.410 1.881 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000114378840 524780222 /nfs/dbraw/zinc/78/02/22/524780222.db2.gz NMEDEGFNWIZJLD-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN COCCNCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000152232091 524820723 /nfs/dbraw/zinc/82/07/23/524820723.db2.gz BKMVMGBJBGRNER-CQSZACIVSA-N 0 3 364.446 1.797 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115585907 525029935 /nfs/dbraw/zinc/02/99/35/525029935.db2.gz LQMSUTYXPDVYPX-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176306797 525081202 /nfs/dbraw/zinc/08/12/02/525081202.db2.gz CIAMHAJMJDYYMQ-ZBFHGGJFSA-N 0 3 360.414 1.410 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000153023773 525082308 /nfs/dbraw/zinc/08/23/08/525082308.db2.gz UQBKNAUBBCBBIH-UHFFFAOYSA-N 0 3 373.457 1.762 20 5 FDBDHN C[C@@H]1CCC[C@@](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)(N(C)C)C1 ZINC000162502165 525268666 /nfs/dbraw/zinc/26/86/66/525268666.db2.gz VSMABHNGUPXORT-CXAGYDPISA-N 0 3 350.419 1.383 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000126502708 525319546 /nfs/dbraw/zinc/31/95/46/525319546.db2.gz DUGZEAVHQPMTAM-MRXNPFEDSA-N 0 3 359.430 1.779 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000164070322 525473668 /nfs/dbraw/zinc/47/36/68/525473668.db2.gz WDTSHLXJKWXCJI-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164734314 525527473 /nfs/dbraw/zinc/52/74/73/525527473.db2.gz TZYDMRHLKHZUPH-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN CC1CCN(C[C@H](O)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000154535339 525565434 /nfs/dbraw/zinc/56/54/34/525565434.db2.gz NIYUVMPLXGBMIZ-MRXNPFEDSA-N 0 3 371.459 1.107 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000119015384 525607445 /nfs/dbraw/zinc/60/74/45/525607445.db2.gz ICDZTCGHASUVGW-TZMCWYRMSA-N 0 3 374.397 1.445 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891409 525813580 /nfs/dbraw/zinc/81/35/80/525813580.db2.gz VLEPJOKYTNYNOC-GFCCVEGCSA-N 0 3 369.443 1.899 20 5 FDBDHN COCCCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000171122189 525858381 /nfs/dbraw/zinc/85/83/81/525858381.db2.gz DBPLXWMTELNIBC-UHFFFAOYSA-N 0 3 353.423 1.107 20 5 FDBDHN CNC(=O)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181938687 525989741 /nfs/dbraw/zinc/98/97/41/525989741.db2.gz IROUADXMNDTVBT-AWEZNQCLSA-N 0 3 351.403 1.183 20 5 FDBDHN NC(=O)C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000182008330 526016658 /nfs/dbraw/zinc/01/66/58/526016658.db2.gz FMKYMRCLIVPFNB-MRXNPFEDSA-N 0 3 374.441 1.898 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000182963968 535896674 /nfs/dbraw/zinc/89/66/74/535896674.db2.gz QVKXBTRVKNAGFA-UHFFFAOYSA-N 0 3 351.451 1.616 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183770655 536047416 /nfs/dbraw/zinc/04/74/16/536047416.db2.gz KJNZSPLXDNUDJI-QGZVFWFLSA-N 0 3 373.413 1.064 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000184372759 536140463 /nfs/dbraw/zinc/14/04/63/536140463.db2.gz FXWCRKGDEJJKPK-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000184368414 536140640 /nfs/dbraw/zinc/14/06/40/536140640.db2.gz CYBXRNCYSURNEE-AWEZNQCLSA-N 0 3 373.457 1.761 20 5 FDBDHN COc1cc(CN[C@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184405563 536146432 /nfs/dbraw/zinc/14/64/32/536146432.db2.gz XXNNFXBPUZCQGA-CYBMUJFWSA-N 0 3 355.366 1.503 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1Cc1ccccc1 ZINC000185319056 536205423 /nfs/dbraw/zinc/20/54/23/536205423.db2.gz QECQHKZAWAPYHY-GXTWGEPZSA-N 0 3 355.398 1.965 20 5 FDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185505673 536210500 /nfs/dbraw/zinc/21/05/00/536210500.db2.gz ZMVGOYQWIWNWJD-UHFFFAOYSA-N 0 3 361.377 1.915 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000186098360 536225409 /nfs/dbraw/zinc/22/54/09/536225409.db2.gz ZZHFLCTUHSGIKJ-OAHLLOKOSA-N 0 3 363.462 1.762 20 5 FDBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](c1ccccc1)N(C)C ZINC000187199188 536257325 /nfs/dbraw/zinc/25/73/25/536257325.db2.gz DUSFUSAFVOBGHN-SCLBCKFNSA-N 0 3 358.398 1.564 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000267031780 536951266 /nfs/dbraw/zinc/95/12/66/536951266.db2.gz DTDSWHJYQNMDSC-UHFFFAOYSA-N 0 3 372.219 1.544 20 5 FDBDHN COC(=O)c1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1 ZINC000267102579 536955133 /nfs/dbraw/zinc/95/51/33/536955133.db2.gz LFASOPXHMJYKJH-INIZCTEOSA-N 0 3 367.427 1.549 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COCc3ccco3)C2)nc1 ZINC000246507016 536969176 /nfs/dbraw/zinc/96/91/76/536969176.db2.gz IAXRQFUUHYXQEF-HIFRSBDPSA-N 0 3 362.386 1.647 20 5 FDBDHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246717908 537010312 /nfs/dbraw/zinc/01/03/12/537010312.db2.gz LJFVVMFTIQPYCU-WMLDXEAASA-N 0 3 373.413 1.503 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000189480015 537054348 /nfs/dbraw/zinc/05/43/48/537054348.db2.gz DYKJEEUHSUSSKP-MRXNPFEDSA-N 0 3 370.409 1.674 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000246951231 537057757 /nfs/dbraw/zinc/05/77/57/537057757.db2.gz JGXATUGSDMZAPV-IUODEOHRSA-N 0 3 372.429 1.916 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000189842034 537104044 /nfs/dbraw/zinc/10/40/44/537104044.db2.gz NFIHXODCWOLLAY-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN COCCCN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000263814428 537107741 /nfs/dbraw/zinc/10/77/41/537107741.db2.gz VIDDLTFZLCYQRR-UHFFFAOYSA-N 0 3 372.447 1.155 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000247533283 537130544 /nfs/dbraw/zinc/13/05/44/537130544.db2.gz OLOMFGALEHWVKA-ZBFHGGJFSA-N 0 3 374.397 1.761 20 5 FDBDHN CCN1CC[C@@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000247557821 537133420 /nfs/dbraw/zinc/13/34/20/537133420.db2.gz ZHPSLUDNTCXIPG-SUMWQHHRSA-N 0 3 372.429 1.978 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000248139982 537168499 /nfs/dbraw/zinc/16/84/99/537168499.db2.gz YHENIJBEEKOZEX-ZBFHGGJFSA-N 0 3 366.805 1.959 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266080430 537185737 /nfs/dbraw/zinc/18/57/37/537185737.db2.gz NOKXQKJXVPTNIY-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1C(=O)NCC[C@H]1C ZINC000282208651 537261863 /nfs/dbraw/zinc/26/18/63/537261863.db2.gz DFMCCATVKKKNRO-MEBBXXQBSA-N 0 3 350.375 1.046 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278171980 537271134 /nfs/dbraw/zinc/27/11/34/537271134.db2.gz YZXDNFHBJDWXOV-ZUZCIYMTSA-N 0 3 358.402 1.753 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000298757166 537304216 /nfs/dbraw/zinc/30/42/16/537304216.db2.gz TYAQYSONTNKPCC-UHFFFAOYSA-N 0 3 364.402 1.991 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1N1CCCC1 ZINC000276295767 537399952 /nfs/dbraw/zinc/39/99/52/537399952.db2.gz WJVSROMVEXOWCW-LSDHHAIUSA-N 0 3 350.444 1.829 20 5 FDBDHN CC(C)(C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000570645356 549358572 /nfs/dbraw/zinc/35/85/72/549358572.db2.gz FZQUFZKKERZQGR-GOSISDBHSA-N 0 3 365.405 1.584 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000281133885 537502064 /nfs/dbraw/zinc/50/20/64/537502064.db2.gz WKNJTKMDMFJOPJ-NVXWUHKLSA-N 0 3 355.398 1.934 20 5 FDBDHN COCCCN1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276526020 537570465 /nfs/dbraw/zinc/57/04/65/537570465.db2.gz GZFWDAZVHMJIBL-UHFFFAOYSA-N 0 3 352.391 1.689 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000275821555 537578568 /nfs/dbraw/zinc/57/85/68/537578568.db2.gz KQLSFBJHEXHKJH-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN C[C@@H](CN(C)C)Nc1c(I)cncc1[N+](=O)[O-] ZINC000418959973 537865587 /nfs/dbraw/zinc/86/55/87/537865587.db2.gz BNNRZXADGUYYNW-ZETCQYMHSA-N 0 3 350.160 1.378 20 5 FDBDHN C[C@H](CO)N1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372740216 538019379 /nfs/dbraw/zinc/01/93/79/538019379.db2.gz LZOGGCKJTBOAMV-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN CN(CCOc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781653 538136560 /nfs/dbraw/zinc/13/65/60/538136560.db2.gz AWSXINVTZJSAQD-CYBMUJFWSA-N 0 3 354.794 1.816 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000420023446 538190918 /nfs/dbraw/zinc/19/09/18/538190918.db2.gz XPEQOPZTHREMNF-OAHLLOKOSA-N 0 3 361.345 1.629 20 5 FDBDHN CC(C)OC[C@@H](CO)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000433181270 538206032 /nfs/dbraw/zinc/20/60/32/538206032.db2.gz KUSGHGDNMMQBCD-CQSZACIVSA-N 0 3 367.402 1.611 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420095333 538218045 /nfs/dbraw/zinc/21/80/45/538218045.db2.gz FSTINOVZKUQYPA-UHFFFAOYSA-N 0 3 368.393 1.473 20 5 FDBDHN CN(C)C1(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000445842926 538256412 /nfs/dbraw/zinc/25/64/12/538256412.db2.gz NCCKOXYQEORKDR-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000440651319 538263325 /nfs/dbraw/zinc/26/33/25/538263325.db2.gz PFKRGHBHSHTNJF-UHFFFAOYSA-N 0 3 350.419 1.819 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420323843 538265444 /nfs/dbraw/zinc/26/54/44/538265444.db2.gz BOXAPOMYIRVUKJ-MRXNPFEDSA-N 0 3 354.382 1.565 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000433764139 538271476 /nfs/dbraw/zinc/27/14/76/538271476.db2.gz CAZOFYUJJWVXOA-LBPRGKRZSA-N 0 3 353.423 1.624 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000433764139 538271486 /nfs/dbraw/zinc/27/14/86/538271486.db2.gz CAZOFYUJJWVXOA-LBPRGKRZSA-N 0 3 353.423 1.624 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452368190 538383926 /nfs/dbraw/zinc/38/39/26/538383926.db2.gz QLAMXKALRAGPNX-LBPRGKRZSA-N 0 3 373.356 1.773 20 5 FDBDHN CCOc1cc(C(=O)N[C@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449668838 538426704 /nfs/dbraw/zinc/42/67/04/538426704.db2.gz XCHHADKDYINZKL-ZDUSSCGKSA-N 0 3 359.329 1.729 20 5 FDBDHN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCCN(C)C ZINC000560562505 545545042 /nfs/dbraw/zinc/54/50/42/545545042.db2.gz HLCVQKAFNKXQJX-JTQLQIEISA-N 0 3 364.427 1.606 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000472555990 538656608 /nfs/dbraw/zinc/65/66/08/538656608.db2.gz WUIYXCGAOHVJPZ-AWEZNQCLSA-N 0 3 364.377 1.759 20 5 FDBDHN CC(C(=O)NCCc1ccccc1[N+](=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000467994409 538710089 /nfs/dbraw/zinc/71/00/89/538710089.db2.gz ORFHFMSRFFBIQK-GFCCVEGCSA-N 0 3 370.427 1.236 20 5 FDBDHN COC1CCN(C2(CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCCC2)CC1 ZINC000488257600 538729474 /nfs/dbraw/zinc/72/94/74/538729474.db2.gz ZVXCXQOCOATLRE-UHFFFAOYSA-N 0 3 351.407 1.471 20 5 FDBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000473951415 538809070 /nfs/dbraw/zinc/80/90/70/538809070.db2.gz NWRRKIHRVSCBCC-UHFFFAOYSA-N 0 3 359.452 1.308 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000474345714 538834219 /nfs/dbraw/zinc/83/42/19/538834219.db2.gz OHARJYONLSWRMC-LBPRGKRZSA-N 0 3 365.386 1.247 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000561316342 545799692 /nfs/dbraw/zinc/79/96/92/545799692.db2.gz RWAPPCMXUCBFND-XJKSGUPXSA-N 0 3 369.425 2.282 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)Cc1cccc(F)c1 ZINC000563137619 546419726 /nfs/dbraw/zinc/41/97/26/546419726.db2.gz IDAJEXKESQYXAI-HOTGVXAUSA-N 0 3 364.373 1.667 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000564017701 546775343 /nfs/dbraw/zinc/77/53/43/546775343.db2.gz QHOLMGSTENOGFV-WFASDCNBSA-N 0 3 362.430 1.461 20 5 FDBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000564966662 547131511 /nfs/dbraw/zinc/13/15/11/547131511.db2.gz LBANFSRGSMSYRR-MRVPVSSYSA-N 0 3 366.237 1.763 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)Cc1ccc(F)cc1 ZINC000564977348 547138740 /nfs/dbraw/zinc/13/87/40/547138740.db2.gz ZVPKTSTYLAWFCH-JKSUJKDBSA-N 0 3 364.373 1.667 20 5 FDBDHN CC1CCC(O)(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000565300432 547296450 /nfs/dbraw/zinc/29/64/50/547296450.db2.gz VINHZKPUXFGGKU-UHFFFAOYSA-N 0 3 371.459 1.404 20 5 FDBDHN CN(C)C1(CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000565557824 547397384 /nfs/dbraw/zinc/39/73/84/547397384.db2.gz KLMKMNVJOMMCJC-UHFFFAOYSA-N 0 3 360.414 1.080 20 5 FDBDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000567448030 548119883 /nfs/dbraw/zinc/11/98/83/548119883.db2.gz SOOMSDRAAKKQDW-ZDUSSCGKSA-N 0 3 362.430 1.379 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C)C[C@H]1CN ZINC000568512036 548568800 /nfs/dbraw/zinc/56/88/00/548568800.db2.gz GSDALVXPKPYIFQ-CMPLNLGQSA-N 0 3 356.810 1.117 20 5 FDBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000569950953 549106391 /nfs/dbraw/zinc/10/63/91/549106391.db2.gz QSOULSOWBMSDCN-KBPBESRZSA-N 0 3 353.444 1.842 20 5 FDBDHN COCCN(C)C[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570289652 549227179 /nfs/dbraw/zinc/22/71/79/549227179.db2.gz HVKKMZHQGJHEPF-INIZCTEOSA-N 0 3 367.446 1.377 20 5 FDBDHN Cc1noc(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000570508789 549305518 /nfs/dbraw/zinc/30/55/18/549305518.db2.gz LBLHTHGSEQEDRW-UHFFFAOYSA-N 0 3 354.388 1.282 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570527289 549313435 /nfs/dbraw/zinc/31/34/35/549313435.db2.gz KZJYFKNQWCEKGV-DOMZBBRYSA-N 0 3 353.444 1.986 20 5 FDBDHN CC(C)N1CC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000571494076 549664110 /nfs/dbraw/zinc/66/41/10/549664110.db2.gz QMKOHRGEESQLSB-LBPRGKRZSA-N 0 3 356.448 1.740 20 5 FDBDHN CCCN1CCC[C@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000571929521 549804828 /nfs/dbraw/zinc/80/48/28/549804828.db2.gz LDUSZPRIDUVPGG-INIZCTEOSA-N 0 3 372.429 1.941 20 5 FDBDHN C[C@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000573934793 550234783 /nfs/dbraw/zinc/23/47/83/550234783.db2.gz YHVRZRHVLISNDO-APPDUMDISA-N 0 3 351.378 1.410 20 5 FDBDHN NC(=O)c1cccc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000577479286 550660270 /nfs/dbraw/zinc/66/02/70/550660270.db2.gz XQHOFVWPSABCGR-OAHLLOKOSA-N 0 3 370.409 1.872 20 5 FDBDHN COCCN(C)C[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578335772 550753389 /nfs/dbraw/zinc/75/33/89/550753389.db2.gz QTAXQYTXQGLEDG-AEFFLSMTSA-N 0 3 351.447 1.713 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000578748374 550797240 /nfs/dbraw/zinc/79/72/40/550797240.db2.gz YGAWIXGHZVWAGF-JTQLQIEISA-N 0 3 369.321 1.018 20 5 FDBDHN CNc1nccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000579372900 550867073 /nfs/dbraw/zinc/86/70/73/550867073.db2.gz URZMLSSMEXXLPN-UHFFFAOYSA-N 0 3 373.417 2.055 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000580814659 551021111 /nfs/dbraw/zinc/02/11/11/551021111.db2.gz VKTVHKGLCHLHDM-CYBMUJFWSA-N 0 3 358.398 1.980 20 5 FDBDHN CN(Cc1ccccc1)C(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582236200 551194455 /nfs/dbraw/zinc/19/44/55/551194455.db2.gz GSGBXEPQLVFABF-INIZCTEOSA-N 0 3 373.409 1.583 20 5 FDBDHN C[C@@H](NC1CC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000582664270 551253519 /nfs/dbraw/zinc/25/35/19/551253519.db2.gz HAZCRFUUMOMYNR-GFCCVEGCSA-N 0 3 372.429 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)C2CCCCC2)cc1 ZINC000582781771 551266638 /nfs/dbraw/zinc/26/66/38/551266638.db2.gz VYSUATLRRFQDDU-MRXNPFEDSA-N 0 3 356.444 1.899 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(CCN(C)C)CCN(C)C)c1F ZINC000583739178 551394466 /nfs/dbraw/zinc/39/44/66/551394466.db2.gz CDBICVVPPKBKTK-UHFFFAOYSA-N 0 3 370.425 1.237 20 5 FDBDHN CCN1CCC(NC(=O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000584046133 551438458 /nfs/dbraw/zinc/43/84/58/551438458.db2.gz YGTTZCVXSJWKKR-UHFFFAOYSA-N 0 3 362.430 1.390 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860556 551694017 /nfs/dbraw/zinc/69/40/17/551694017.db2.gz HPKVSJXAXXWQAY-QWHCGFSZSA-N 0 3 356.382 1.424 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000588867232 551695322 /nfs/dbraw/zinc/69/53/22/551695322.db2.gz MMITZKQLLFWHAN-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000589210627 551717544 /nfs/dbraw/zinc/71/75/44/551717544.db2.gz QNKIIJIKPTXHIN-MISXGVKJSA-N 0 3 355.416 1.335 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589614914 551738469 /nfs/dbraw/zinc/73/84/69/551738469.db2.gz WMELUVYQZHQEOS-MLGOLLRUSA-N 0 3 360.414 1.982 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210413 551764899 /nfs/dbraw/zinc/76/48/99/551764899.db2.gz ZUUWTZJVIQCQIA-QZTJIDSGSA-N 0 3 363.414 1.751 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000590369645 551776680 /nfs/dbraw/zinc/77/66/80/551776680.db2.gz JAGFEOFLPZSVMI-VIFPVBQESA-N 0 3 365.308 1.188 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590370250 551776724 /nfs/dbraw/zinc/77/67/24/551776724.db2.gz WQJOFFADCNLNNZ-NSHDSACASA-N 0 3 350.400 1.371 20 5 FDBDHN COc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000590399693 551780271 /nfs/dbraw/zinc/78/02/71/551780271.db2.gz CZGNUKIQHWIFLC-ZBFHGGJFSA-N 0 3 363.414 1.847 20 5 FDBDHN CN1CCN(CC2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000590564286 551793111 /nfs/dbraw/zinc/79/31/11/551793111.db2.gz ZPDQTLUEIYWGHZ-UHFFFAOYSA-N 0 3 366.849 1.497 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC(c3nc(N)n[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000590601639 551797339 /nfs/dbraw/zinc/79/73/39/551797339.db2.gz ZSYPDSYLNYZELJ-UHFFFAOYSA-N 0 3 373.417 1.812 20 5 FDBDHN O=C(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000591577195 551880929 /nfs/dbraw/zinc/88/09/29/551880929.db2.gz ZVGDJHXIHILBBM-IBGZPJMESA-N 0 3 354.410 1.706 20 5 FDBDHN C[S@@](=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591749921 551906014 /nfs/dbraw/zinc/90/60/14/551906014.db2.gz OZGAFMGQNZASDQ-HWRSSNJWSA-N 0 3 364.423 1.862 20 5 FDBDHN Cc1ccn(-c2ccccc2CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591756034 551906390 /nfs/dbraw/zinc/90/63/90/551906390.db2.gz JATHQZOGGWMLIN-MRXNPFEDSA-N 0 3 356.386 1.436 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000591983886 551923439 /nfs/dbraw/zinc/92/34/39/551923439.db2.gz BJFBRFGHVUAUTN-VIFPVBQESA-N 0 3 372.223 1.309 20 5 FDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000592375596 551985902 /nfs/dbraw/zinc/98/59/02/551985902.db2.gz VTIIBFABPDUEIK-UHFFFAOYSA-N 0 3 364.221 1.517 20 5 FDBDHN CSc1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592870964 552037084 /nfs/dbraw/zinc/03/70/84/552037084.db2.gz HNSJMJVNGVOEGX-NSHDSACASA-N 0 3 366.443 1.509 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)Cn1ccc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000592898898 552040721 /nfs/dbraw/zinc/04/07/21/552040721.db2.gz MZSMUODVVKUPKS-UHFFFAOYSA-N 0 3 372.425 1.873 20 5 FDBDHN CN(CC(=O)N1CCOC2(CCN(C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000592898952 552040747 /nfs/dbraw/zinc/04/07/47/552040747.db2.gz OTYGDBBWBDEYDC-UHFFFAOYSA-N 0 3 362.430 1.354 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000593486220 552116092 /nfs/dbraw/zinc/11/60/92/552116092.db2.gz QIVFQENMRCVTND-UHFFFAOYSA-N 0 3 364.446 1.982 20 5 FDBDHN CN(C)CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000593655680 552165216 /nfs/dbraw/zinc/16/52/16/552165216.db2.gz XOKGPPQOCGNVIC-UHFFFAOYSA-N 0 3 372.372 1.402 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000593881859 552216373 /nfs/dbraw/zinc/21/63/73/552216373.db2.gz ABHSUANXKKZGSZ-UHFFFAOYSA-N 0 3 358.402 1.733 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000593905372 552222605 /nfs/dbraw/zinc/22/26/05/552222605.db2.gz QRULNCPHVARIHG-UONOGXRCSA-N 0 3 357.414 1.970 20 5 FDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000594198197 552263397 /nfs/dbraw/zinc/26/33/97/552263397.db2.gz FIVVGCYUMJJWNU-CABCVRRESA-N 0 3 370.413 1.922 20 5 FDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594196794 552263625 /nfs/dbraw/zinc/26/36/25/552263625.db2.gz MSPXWWVWBXJIDE-DOTOQJQBSA-N 0 3 370.413 1.922 20 5 FDBDHN NC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450603 552313229 /nfs/dbraw/zinc/31/32/29/552313229.db2.gz GRWLXAITJXQGNY-QMMMGPOBSA-N 0 3 356.098 1.977 20 5 FDBDHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000594450610 552313301 /nfs/dbraw/zinc/31/33/01/552313301.db2.gz HHYJKBZAUPEEMA-QMMMGPOBSA-N 0 3 356.098 1.977 20 5 FDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770511 552378384 /nfs/dbraw/zinc/37/83/84/552378384.db2.gz JGFNZNFEHDBBDB-UHFFFAOYSA-N 0 3 352.416 1.762 20 5 FDBDHN CC(C)(C)N1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801422 552390024 /nfs/dbraw/zinc/39/00/24/552390024.db2.gz NZMGYSWERJUDCP-AWEZNQCLSA-N 0 3 355.460 1.930 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(CC(=O)N(C)C)CC1 ZINC000595017600 552437995 /nfs/dbraw/zinc/43/79/95/552437995.db2.gz KLWJJTPVAADTAU-CYBMUJFWSA-N 0 3 364.446 1.807 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258201 552506527 /nfs/dbraw/zinc/50/65/27/552506527.db2.gz SOAGJAMVMXYUOA-HNNXBMFYSA-N 0 3 359.386 1.789 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595383152 552543505 /nfs/dbraw/zinc/54/35/05/552543505.db2.gz AGHJKHLLCHNOEO-CQSZACIVSA-N 0 3 369.443 1.123 20 5 FDBDHN COC[C@H](CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)OC ZINC000595431721 552558485 /nfs/dbraw/zinc/55/84/85/552558485.db2.gz GNKJJOATQFMOKT-AWEZNQCLSA-N 0 3 363.418 1.645 20 5 FDBDHN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000595614103 552593214 /nfs/dbraw/zinc/59/32/14/552593214.db2.gz FMENNTTZMXAWCW-AWEZNQCLSA-N 0 3 351.403 1.873 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595631304 552595288 /nfs/dbraw/zinc/59/52/88/552595288.db2.gz GWXBBAJAELTYOU-GUTXKFCHSA-N 0 3 351.403 1.689 20 5 FDBDHN COC(=O)c1cc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595930439 552634876 /nfs/dbraw/zinc/63/48/76/552634876.db2.gz QDLUERWAUGREKF-SECBINFHSA-N 0 3 359.342 1.434 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595947529 552636870 /nfs/dbraw/zinc/63/68/70/552636870.db2.gz MMVZWZSAFFKKAC-VIFPVBQESA-N 0 3 363.399 1.346 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000595985828 552641344 /nfs/dbraw/zinc/64/13/44/552641344.db2.gz BZRVLIMKIMNWDO-KWQFWETISA-N 0 3 362.308 1.061 20 5 FDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000596051863 552650074 /nfs/dbraw/zinc/65/00/74/552650074.db2.gz PUROPPPIVLCFPL-VIFPVBQESA-N 0 3 361.729 1.758 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000596052575 552650215 /nfs/dbraw/zinc/65/02/15/552650215.db2.gz VBHYZEKDJQTDOB-LLVKDONJSA-N 0 3 355.338 1.722 20 5 FDBDHN O=C(c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000596091379 552654400 /nfs/dbraw/zinc/65/44/00/552654400.db2.gz YVKMIFUHCNIVHZ-AWEZNQCLSA-N 0 3 360.414 1.716 20 5 FDBDHN CC1CCN(c2ccc(C(=O)N3CCOC4(CNC4)C3)cc2[N+](=O)[O-])CC1 ZINC000596099336 552655238 /nfs/dbraw/zinc/65/52/38/552655238.db2.gz ZJNAXEUMCWSKFA-UHFFFAOYSA-N 0 3 374.441 1.646 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NCc3ccc(CN4CC[C@@H](O)C4)cc3)nn21 ZINC000596423677 552677738 /nfs/dbraw/zinc/67/77/38/552677738.db2.gz OEVRVDKMXKLAPS-OAHLLOKOSA-N 0 3 368.397 1.816 20 5 FDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596425457 552678198 /nfs/dbraw/zinc/67/81/98/552678198.db2.gz YPLAJLBVTBGZJJ-HNNXBMFYSA-N 0 3 370.409 1.872 20 5 FDBDHN Nc1c(NC(=O)NC[C@@H]2CCCN2CCCO)cc(Cl)cc1[N+](=O)[O-] ZINC000597092438 552745792 /nfs/dbraw/zinc/74/57/92/552745792.db2.gz LCVVREPHDCHNFO-NSHDSACASA-N 0 3 371.825 1.799 20 5 FDBDHN COCCN(C)CCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095648 552746210 /nfs/dbraw/zinc/74/62/10/552746210.db2.gz ZCSHTMWSJNUFGT-UHFFFAOYSA-N 0 3 359.814 1.920 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000597693630 552822986 /nfs/dbraw/zinc/82/29/86/552822986.db2.gz WXUDAGKHTMZFSM-OCCSQVGLSA-N 0 3 365.434 1.230 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597991276 552853633 /nfs/dbraw/zinc/85/36/33/552853633.db2.gz QFFSCQHBQCTAET-OAHLLOKOSA-N 0 3 373.413 1.133 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000598569858 552910405 /nfs/dbraw/zinc/91/04/05/552910405.db2.gz FNBBPYCFFQMVGL-AWEZNQCLSA-N 0 3 358.398 1.978 20 5 FDBDHN O=[N+]([O-])c1c(NCCN2CCCCCC2)ncnc1N1CCOCC1 ZINC000598586643 552911979 /nfs/dbraw/zinc/91/19/79/552911979.db2.gz KDFCGOJOGFMYAI-UHFFFAOYSA-N 0 3 350.423 1.509 20 5 FDBDHN COC(=O)c1ccnc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000598620751 552916809 /nfs/dbraw/zinc/91/68/09/552916809.db2.gz ZWAXTUISZXWQGB-QWHCGFSZSA-N 0 3 366.443 1.792 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599163040 552977110 /nfs/dbraw/zinc/97/71/10/552977110.db2.gz ABLWNDBCQBFPDR-ZDUSSCGKSA-N 0 3 354.432 1.671 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165254 552977474 /nfs/dbraw/zinc/97/74/74/552977474.db2.gz PDMIIZSTFRUPNB-ZDUSSCGKSA-N 0 3 368.459 1.932 20 5 FDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN2C2CCCC2)ncnc1N1CCOCC1 ZINC000599164784 552977501 /nfs/dbraw/zinc/97/75/01/552977501.db2.gz MOHXVKHTKXZNJC-AWEZNQCLSA-N 0 3 362.434 1.650 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600062984 553210994 /nfs/dbraw/zinc/21/09/94/553210994.db2.gz LCBIJRSASRXZGC-HNNXBMFYSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600131547 553223407 /nfs/dbraw/zinc/22/34/07/553223407.db2.gz DSMGJXFRCWYIQJ-SNVBAGLBSA-N 0 3 363.386 1.897 20 5 FDBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600753302 553311592 /nfs/dbraw/zinc/31/15/92/553311592.db2.gz AQMWKLNORQOCTC-GUYCJALGSA-N 0 3 371.393 1.751 20 5 FDBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600808284 553317256 /nfs/dbraw/zinc/31/72/56/553317256.db2.gz KMSVOHMSQHNMQS-LBPRGKRZSA-N 0 3 357.794 1.200 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880544 553486196 /nfs/dbraw/zinc/48/61/96/553486196.db2.gz OTMNDEZJBGAGES-MRXNPFEDSA-N 0 3 357.414 1.799 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000602788143 553638330 /nfs/dbraw/zinc/63/83/30/553638330.db2.gz SXMCSDRGJUQMII-AWEZNQCLSA-N 0 3 351.451 1.974 20 5 FDBDHN CN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)CC1 ZINC000609201236 554349022 /nfs/dbraw/zinc/34/90/22/554349022.db2.gz UPITYHJDJYOPSM-UHFFFAOYSA-N 0 3 371.397 1.695 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642714 554407151 /nfs/dbraw/zinc/40/71/51/554407151.db2.gz UNLMEMKDVKSAFX-CQSZACIVSA-N 0 3 359.430 1.663 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000611185721 554613557 /nfs/dbraw/zinc/61/35/57/554613557.db2.gz TZRBJVMJZYNVEM-HZPDHXFCSA-N 0 3 354.410 1.825 20 5 FDBDHN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000611345865 554627097 /nfs/dbraw/zinc/62/70/97/554627097.db2.gz DYWUHBSARNQUJN-CXAGYDPISA-N 0 3 359.430 1.804 20 5 FDBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614923386 555138715 /nfs/dbraw/zinc/13/87/15/555138715.db2.gz IKLBWRQQHREDOF-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000616089251 555269392 /nfs/dbraw/zinc/26/93/92/555269392.db2.gz PJILSQLGHAEIFU-OAHLLOKOSA-N 0 3 363.414 1.721 20 5 FDBDHN CN(C)CCn1cc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000618377172 555628907 /nfs/dbraw/zinc/62/89/07/555628907.db2.gz BHNDILOMQPPVBZ-UHFFFAOYSA-N 0 3 372.389 1.551 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCN(CC2CC2)C1 ZINC000618385955 555630722 /nfs/dbraw/zinc/63/07/22/555630722.db2.gz GRCZMONCZYHWEJ-LBPRGKRZSA-N 0 3 358.402 1.755 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000618923026 555696659 /nfs/dbraw/zinc/69/66/59/555696659.db2.gz AUKXLJGMEFFRMR-QGZVFWFLSA-N 0 3 350.419 1.312 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000619476851 555783810 /nfs/dbraw/zinc/78/38/10/555783810.db2.gz SXMVRCXWUZJYHY-NEPJUHHUSA-N 0 3 355.416 1.509 20 5 FDBDHN COC1CCN(CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000619583749 555803863 /nfs/dbraw/zinc/80/38/63/555803863.db2.gz UKKSIQPLTFQYEE-UHFFFAOYSA-N 0 3 365.430 1.899 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370536 598499904 /nfs/dbraw/zinc/49/99/04/598499904.db2.gz VLZTYQOGUJNKNH-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370536 598499906 /nfs/dbraw/zinc/49/99/06/598499906.db2.gz VLZTYQOGUJNKNH-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN CC(=O)NCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272978146 674494153 /nfs/dbraw/zinc/49/41/53/674494153.db2.gz XGIPKMPCPJHWRV-HNNXBMFYSA-N 0 3 351.403 1.183 20 5 FDBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000273452073 674538938 /nfs/dbraw/zinc/53/89/38/674538938.db2.gz OVGBGJHSFKGKNQ-ZNMIVQPWSA-N 0 3 354.428 1.772 20 5 FDBDHN C[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000273507465 674543999 /nfs/dbraw/zinc/54/39/99/674543999.db2.gz ZSOPHBNTHBTVCR-CHWSQXEVSA-N 0 3 353.444 1.583 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000288838332 676061221 /nfs/dbraw/zinc/06/12/21/676061221.db2.gz JMQYDWHHQDRNCH-ZDUSSCGKSA-N 0 3 352.439 1.474 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267503644 673310563 /nfs/dbraw/zinc/31/05/63/673310563.db2.gz YEUZKCCKIMVLLW-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284958418 675771736 /nfs/dbraw/zinc/77/17/36/675771736.db2.gz AIYADKFYMXUGGY-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292875919 676324023 /nfs/dbraw/zinc/32/40/23/676324023.db2.gz SXNVLVJIZLNHIH-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361582326 676897018 /nfs/dbraw/zinc/89/70/18/676897018.db2.gz KSNLISYOAJMKLF-OLZOCXBDSA-N 0 3 350.375 1.588 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000362886925 676926521 /nfs/dbraw/zinc/92/65/21/676926521.db2.gz ZDDPOHKNDKJHMK-UHFFFAOYSA-N 0 3 351.403 1.788 20 5 FDBDHN Cn1nnnc1N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363487730 676957039 /nfs/dbraw/zinc/95/70/39/676957039.db2.gz IBEXHKVGWASDCJ-UHFFFAOYSA-N 0 3 351.798 1.530 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CNCCO1 ZINC000423992647 680824872 /nfs/dbraw/zinc/82/48/72/680824872.db2.gz PBZAXWMSWRHXEK-NSHDSACASA-N 0 3 358.192 1.004 20 5 FDBDHN COC(=O)[C@H]1CSCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412096587 679155648 /nfs/dbraw/zinc/15/56/48/679155648.db2.gz SNWCEBIYOJGRPD-OCCSQVGLSA-N 0 3 370.427 1.173 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416377521 679593622 /nfs/dbraw/zinc/59/36/22/679593622.db2.gz XPXLTKYVLLPOCS-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416496623 679640069 /nfs/dbraw/zinc/64/00/69/679640069.db2.gz PYSKGXGATIVSOQ-SECBINFHSA-N 0 3 367.349 1.844 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCNC[C@](C)(F)C1 ZINC000420325785 680431857 /nfs/dbraw/zinc/43/18/57/680431857.db2.gz BUOBXUFSGZRBNZ-ZBEGNZNMSA-N 0 3 354.382 1.564 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCOC1 ZINC000420979633 680584019 /nfs/dbraw/zinc/58/40/19/680584019.db2.gz ZPMDFCBAPDKPJP-CYBMUJFWSA-N 0 3 357.432 1.232 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431664018 681131099 /nfs/dbraw/zinc/13/10/99/681131099.db2.gz JXRXWQSIHHUSLY-AWEZNQCLSA-N 0 3 350.419 1.850 20 5 FDBDHN CO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453198125 683154883 /nfs/dbraw/zinc/15/48/83/683154883.db2.gz VDRDSEBVDUQNMT-CABCVRRESA-N 0 3 354.428 1.916 20 5 FDBDHN COC1([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453200560 683155073 /nfs/dbraw/zinc/15/50/73/683155073.db2.gz ZTKOOERRDJJBTH-CYBMUJFWSA-N 0 3 372.443 1.542 20 5 FDBDHN O=C(CNC1(CO)CCSCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459705631 684446949 /nfs/dbraw/zinc/44/69/49/684446949.db2.gz GZGLTLGVUZQLHP-UHFFFAOYSA-N 0 3 369.399 1.110 20 5 FDBDHN C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000470114765 685009487 /nfs/dbraw/zinc/00/94/87/685009487.db2.gz LUDUNMLJJJAQGS-GFCCVEGCSA-N 0 3 353.398 1.739 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1CCO ZINC000470209740 685015983 /nfs/dbraw/zinc/01/59/83/685015983.db2.gz MPVKKMFJIZMNMN-CYBMUJFWSA-N 0 3 369.443 1.732 20 5 FDBDHN COCCN1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485950026 686809133 /nfs/dbraw/zinc/80/91/33/686809133.db2.gz HQJSAONWXSAMOR-UHFFFAOYSA-N 0 3 357.357 1.643 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000517407574 690063655 /nfs/dbraw/zinc/06/36/55/690063655.db2.gz YKHMJSIRINDNHE-UHFFFAOYSA-N 0 3 350.419 1.917 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359956491 771281778 /nfs/dbraw/zinc/28/17/78/771281778.db2.gz LGMUYYYEBQKFQJ-LSDHHAIUSA-N 0 3 360.414 1.762 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nc(-c3ccccc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063756 777685553 /nfs/dbraw/zinc/68/55/53/777685553.db2.gz LLLDYTDFHWQUJL-XJFOESAGSA-N 0 3 357.370 1.139 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nc(-c3ccsc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064148 777710188 /nfs/dbraw/zinc/71/01/88/777710188.db2.gz YIIJRWUIMMXBJQ-WRWGMCAJSA-N 0 3 363.399 1.200 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411432528 785260686 /nfs/dbraw/zinc/26/06/86/785260686.db2.gz WLEZQIAPQDGPDY-CABCVRRESA-N 0 3 360.414 1.927 20 5 FDBDHN NCc1nn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])c2ccccc12 ZINC001167698423 787836522 /nfs/dbraw/zinc/83/65/22/787836522.db2.gz WIBGKTLFVASPJA-UHFFFAOYSA-N 0 3 364.159 1.788 20 5 FDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472729053 791534698 /nfs/dbraw/zinc/53/46/98/791534698.db2.gz PZQIUEOQFDKKPG-CQSZACIVSA-N 0 3 366.393 1.909 20 5 FDBDHN CC(COC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[N+](=O)[O-] ZINC000893047550 792651484 /nfs/dbraw/zinc/65/14/84/792651484.db2.gz NHNJDPYBGQVLJC-RDDDGLTNSA-N 0 3 358.144 1.739 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979310404 806222734 /nfs/dbraw/zinc/22/27/34/806222734.db2.gz HWVICFJBCZFIHK-YVECIDJPSA-N 0 3 363.418 1.131 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893264457 794499167 /nfs/dbraw/zinc/49/91/67/794499167.db2.gz DVJONGUEYSCLJF-IRXDYDNUSA-N 0 3 362.430 1.378 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1cc(C3CC3)no1)C2 ZINC000981763911 808449110 /nfs/dbraw/zinc/44/91/10/808449110.db2.gz MPGVPCYHZXFKHJ-GDBMZVCRSA-N 0 3 360.414 1.642 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420389731 813639778 /nfs/dbraw/zinc/63/97/78/813639778.db2.gz YOORXXOZJLVESO-WBMJQRKESA-N 0 3 373.417 1.309 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515498872 816291180 /nfs/dbraw/zinc/29/11/80/816291180.db2.gz JUFSLSRUXUYZFV-LSDHHAIUSA-N 0 3 368.397 1.108 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503972 816394398 /nfs/dbraw/zinc/39/43/98/816394398.db2.gz ULEZGGITJZCXQS-CYBMUJFWSA-N 0 3 374.401 1.861 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000506459013 817826890 /nfs/dbraw/zinc/82/68/90/817826890.db2.gz ITTHSVUCWWJDPT-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000473984589 819840563 /nfs/dbraw/zinc/84/05/63/819840563.db2.gz QDEWWRCGOLYPQP-CZUORRHYSA-N 0 3 368.386 1.430 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000521267056 821183551 /nfs/dbraw/zinc/18/35/51/821183551.db2.gz LBGYJYUFYAKKBF-HOTGVXAUSA-N 0 3 365.430 1.131 20 5 FDBDHN C[C@@]1(Br)C[C@@H]1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000895948870 823796560 /nfs/dbraw/zinc/79/65/60/823796560.db2.gz SJPRNKQAXGLIOE-FMKGYKFTSA-N 0 3 359.220 1.752 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000525568578 828654738 /nfs/dbraw/zinc/65/47/38/828654738.db2.gz AKSHOTHERNGBAJ-ZDUSSCGKSA-N 0 3 367.402 1.453 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000525568577 828654847 /nfs/dbraw/zinc/65/48/47/828654847.db2.gz AKSHOTHERNGBAJ-CYBMUJFWSA-N 0 3 367.402 1.453 20 5 FDBDHN Cc1cc(OCC(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281793851 826238009 /nfs/dbraw/zinc/23/80/09/826238009.db2.gz OFDWGGSQYCAAKW-UHFFFAOYSA-N 0 3 364.446 1.424 20 5 FDBDHN CCOC(=O)c1cc(N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221561 827185733 /nfs/dbraw/zinc/18/57/33/827185733.db2.gz NGDYAUJUYBLSPC-IAGOWNOFSA-N 0 3 363.414 1.807 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)[C@@H]2C1 ZINC000899137902 845857192 /nfs/dbraw/zinc/85/71/92/845857192.db2.gz DZGVVIGZVZIRJU-DOTOQJQBSA-N 0 3 355.398 1.616 20 5 FDBDHN COc1cnccc1N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000481079382 846082712 /nfs/dbraw/zinc/08/27/12/846082712.db2.gz YAQYJFSVTSPBAR-UHFFFAOYSA-N 0 3 357.370 1.424 20 5 FDBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000899663387 846559073 /nfs/dbraw/zinc/55/90/73/846559073.db2.gz CMXSWQMHHRHEHT-LSDHHAIUSA-N 0 3 350.444 1.823 20 5 FDBDHN COCCN(C)C[C@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905979200 852512940 /nfs/dbraw/zinc/51/29/40/852512940.db2.gz HFTPVRUYPLSIPN-JTQLQIEISA-N 0 3 363.208 1.675 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249391249 858896807 /nfs/dbraw/zinc/89/68/07/858896807.db2.gz QWPCVUALWHVBIV-LSDHHAIUSA-N 0 3 367.446 1.112 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000489102959 859216769 /nfs/dbraw/zinc/21/67/69/859216769.db2.gz OKWFIQWRXJQHND-UHFFFAOYSA-N 0 3 362.430 1.214 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913905436 869971230 /nfs/dbraw/zinc/97/12/30/869971230.db2.gz MPFNWEWEQSCJST-INIZCTEOSA-N 0 3 353.444 1.842 20 5 FDBDHN CC(C)CNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000761641526 873700026 /nfs/dbraw/zinc/70/00/26/873700026.db2.gz GLLVPHVKUGHSSC-UHFFFAOYSA-N 0 3 350.419 1.241 20 5 FDBDHN COC1CCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761906402 874818599 /nfs/dbraw/zinc/81/85/99/874818599.db2.gz XPRZCPMHBVQKNC-UHFFFAOYSA-N 0 3 350.375 1.448 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000389413415 878557801 /nfs/dbraw/zinc/55/78/01/878557801.db2.gz LUPRTYPUNLWLIL-WBMJQRKESA-N 0 3 355.398 1.965 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488061006 881238819 /nfs/dbraw/zinc/23/88/19/881238819.db2.gz YICSCTWOLFZMKG-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CCOc1cccc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001005379803 883159538 /nfs/dbraw/zinc/15/95/38/883159538.db2.gz WYIKDKGQNNETJQ-HZPDHXFCSA-N 0 3 362.430 1.568 20 5 FDBDHN COc1cccc(CN2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000918355630 884360802 /nfs/dbraw/zinc/36/08/02/884360802.db2.gz REFXRAANCPVZNN-UHFFFAOYSA-N 0 3 373.413 1.581 20 5 FDBDHN Cc1cc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)ncn1 ZINC001034817159 885152301 /nfs/dbraw/zinc/15/23/01/885152301.db2.gz ZKBMYHRVIPOZRL-IAGOWNOFSA-N 0 3 355.398 1.356 20 5 FDBDHN Cn1nnc2c1C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000922994768 887705798 /nfs/dbraw/zinc/70/57/98/887705798.db2.gz XODJESXPSABSFP-JTQLQIEISA-N 0 3 353.329 1.972 20 5 FDBDHN CC(C)Cc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428874 903913142 /nfs/dbraw/zinc/91/31/42/903913142.db2.gz KDYODBFIWUFYTB-CHWSQXEVSA-N 0 3 351.407 1.014 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000273115746 911090942 /nfs/dbraw/zinc/09/09/42/911090942.db2.gz YMRZMYLIKNJWRY-OAHLLOKOSA-N 0 3 366.414 1.464 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000823789204 922096852 /nfs/dbraw/zinc/09/68/52/922096852.db2.gz QLMZYQGOPCLTOO-AWEZNQCLSA-N 0 3 373.457 1.885 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743979001 926535109 /nfs/dbraw/zinc/53/51/09/926535109.db2.gz QMNSTTUNFYHGGA-LLVKDONJSA-N 0 3 350.375 1.142 20 5 FDBDHN CC(C)(C)c1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001086363350 926830724 /nfs/dbraw/zinc/83/07/24/926830724.db2.gz PAILVLHWHHXPIN-HBJVGIJOSA-N 0 3 350.419 1.622 20 5 FDBDHN Cn1nc(CN(c2ncccn2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025851 928251253 /nfs/dbraw/zinc/25/12/53/928251253.db2.gz ZJIRBGAJJMVVFP-KBPBESRZSA-N 0 3 371.445 1.308 20 5 FDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785800065 931625345 /nfs/dbraw/zinc/62/53/45/931625345.db2.gz KLKBYEYYRISGKR-ZIAGYGMSSA-N 0 3 362.386 1.827 20 5 FDBDHN NC(=O)COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785858687 931640267 /nfs/dbraw/zinc/64/02/67/931640267.db2.gz UKDUCWIFUUPMNJ-UHFFFAOYSA-N 0 3 359.386 1.493 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788959075 932889698 /nfs/dbraw/zinc/88/96/98/932889698.db2.gz PWTVXZVPYUJGOH-INIZCTEOSA-N 0 3 360.366 1.970 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000808171553 940528034 /nfs/dbraw/zinc/52/80/34/940528034.db2.gz KDPQJULQNUQSRC-ZDUSSCGKSA-N 0 3 350.419 1.237 20 5 FDBDHN CC(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813101832 941325506 /nfs/dbraw/zinc/32/55/06/941325506.db2.gz JTHMCVQHNAUCBM-GFCCVEGCSA-N 0 3 356.400 1.683 20 5 FDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N+](=O)[O-] ZINC000813103417 941326435 /nfs/dbraw/zinc/32/64/35/941326435.db2.gz QCYNXSJIJQHHQF-JTQLQIEISA-N 0 3 362.429 1.284 20 5 FDBDHN CSCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813105700 941328680 /nfs/dbraw/zinc/32/86/80/941328680.db2.gz SABUVMRBYZSVMN-MFKMUULPSA-N 0 3 366.395 1.613 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106673 941333865 /nfs/dbraw/zinc/33/38/65/941333865.db2.gz FUBCYMVZYKBPKU-LLVKDONJSA-N 0 3 374.415 1.548 20 5 FDBDHN CC(COC(=O)CS(=O)(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813109569 941334327 /nfs/dbraw/zinc/33/43/27/941334327.db2.gz MJYDEAADUALLDW-QMMMGPOBSA-N 0 3 366.189 1.431 20 5 FDBDHN CC(COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813110799 941334526 /nfs/dbraw/zinc/33/45/26/941334526.db2.gz JTIJBQYAOQTVOF-LLVKDONJSA-N 0 3 373.383 1.220 20 5 FDBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813111805 941335296 /nfs/dbraw/zinc/33/52/96/941335296.db2.gz XPQPQZJCMHOOJZ-LLVKDONJSA-N 0 3 356.400 1.268 20 5 FDBDHN Cc1nnc(SCC(=O)OCC(C)[N+](=O)[O-])n1Cc1ccccc1 ZINC000813113475 941335944 /nfs/dbraw/zinc/33/59/44/941335944.db2.gz QOJWHGORTBYVBS-LLVKDONJSA-N 0 3 350.400 1.935 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCCN1C ZINC000817131621 942566447 /nfs/dbraw/zinc/56/64/47/942566447.db2.gz HORKMDBGXHPPRF-ZDUSSCGKSA-N 0 3 372.447 1.307 20 5 FDBDHN COC(=O)c1ccnc(NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000856723162 971349976 /nfs/dbraw/zinc/34/99/76/971349976.db2.gz IUQZQVYOKUHFTL-ZDUSSCGKSA-N 0 3 364.402 1.832 20 5 FDBDHN CC([C@@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872612 950041993 /nfs/dbraw/zinc/04/19/93/950041993.db2.gz KINJCSMXRZPNKP-SJKOYZFVSA-N 0 3 368.361 1.714 20 5 FDBDHN CC([C@@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874756 950044417 /nfs/dbraw/zinc/04/44/17/950044417.db2.gz JYEXXFDFQCPFMT-QPUJVOFHSA-N 0 3 351.290 1.188 20 5 FDBDHN CC([C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878061 950052253 /nfs/dbraw/zinc/05/22/53/950052253.db2.gz TUSNRWKPTDQFEI-LKFCYVNXSA-N 0 3 352.278 1.880 20 5 FDBDHN CC([C@@H](OC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881277 950058074 /nfs/dbraw/zinc/05/80/74/950058074.db2.gz LEHWVQBMJCVQMX-OASPWFOLSA-N 0 3 360.363 1.109 20 5 FDBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000774410241 962128320 /nfs/dbraw/zinc/12/83/20/962128320.db2.gz OQTSBPOMJPEEIB-BDJLRTHQSA-N 0 3 365.411 1.626 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001175180758 963087092 /nfs/dbraw/zinc/08/70/92/963087092.db2.gz QVNMLWRVXVSZHQ-SJORKVTESA-N 0 3 363.414 1.468 20 5 FDBDHN O=c1[nH]ccn2c(CN[C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001183866304 963339263 /nfs/dbraw/zinc/33/92/63/963339263.db2.gz ZIYXONKIOGUBBE-OCCSQVGLSA-N 0 3 368.397 1.827 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCNC(=O)CC12CCC2 ZINC001175947551 963340725 /nfs/dbraw/zinc/34/07/25/963340725.db2.gz SSRHOQSQSJIUBB-UHFFFAOYSA-N 0 3 374.397 1.637 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178710282 964391483 /nfs/dbraw/zinc/39/14/83/964391483.db2.gz YPHSHQGYGACITQ-NWDGAFQWSA-N 0 3 352.439 1.284 20 5 FDBDHN CNS(=O)(=O)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179321501 964836066 /nfs/dbraw/zinc/83/60/66/964836066.db2.gz YARFNDBENKHQNY-UHFFFAOYSA-N 0 3 353.400 1.884 20 5 FDBDHN CCN(Cc1cnn(CC)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713168 1013854767 /nfs/dbraw/zinc/85/47/67/1013854767.db2.gz PVPROMWWQNPFGV-HZPDHXFCSA-N 0 3 364.450 1.024 20 5 FDBDHN COCCN(C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865123532 974116114 /nfs/dbraw/zinc/11/61/14/974116114.db2.gz MQBDYCDXKOJTDG-UHFFFAOYSA-N 0 3 374.235 1.594 20 5 FDBDHN C[C@@H](O)[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000865739156 974451430 /nfs/dbraw/zinc/45/14/30/974451430.db2.gz SRFRDIYTZQIRRS-HQJQHLMTSA-N 0 3 366.155 1.031 20 5 FDBDHN Cn1ccnc1[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866412392 975621700 /nfs/dbraw/zinc/62/17/00/975621700.db2.gz IGFUTZSLCNCRCS-RDJZCZTQSA-N 0 3 373.457 1.853 20 5 FDBDHN CC([C@H](OC(=O)CN1CCN(C2CC2)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000851108599 978786537 /nfs/dbraw/zinc/78/65/37/978786537.db2.gz OQIFSYSWNQENMI-ZBEGNZNMSA-N 0 3 365.361 1.975 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000859523411 982893081 /nfs/dbraw/zinc/89/30/81/982893081.db2.gz PSCHHVCMPXZAIP-IAGOWNOFSA-N 0 3 350.415 1.882 20 5 FDBDHN COC(=O)c1cnn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000860854491 983539227 /nfs/dbraw/zinc/53/92/27/983539227.db2.gz BEYLJBQIENCYLL-ZUZCIYMTSA-N 0 3 365.317 1.759 20 5 FDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000861344149 983695450 /nfs/dbraw/zinc/69/54/50/983695450.db2.gz NDPVVDDXTLMRIX-CJNGLKHVSA-N 0 3 354.407 1.451 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299454976 988494802 /nfs/dbraw/zinc/49/48/02/988494802.db2.gz ZMZVBQKBIPUTFB-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363206757 988993131 /nfs/dbraw/zinc/99/31/31/988993131.db2.gz PSJGIDYIWNBAPG-YPMHNXCESA-N 0 3 364.358 1.404 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000369994798 989369038 /nfs/dbraw/zinc/36/90/38/989369038.db2.gz IWICUJYAMGTWIK-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN O=C(CCN1CCN([C@H]2CCC[C@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363728726 989412444 /nfs/dbraw/zinc/41/24/44/989412444.db2.gz PACPYDXTUYITDF-DLBZAZTESA-N 0 3 362.430 1.454 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825709219 989640845 /nfs/dbraw/zinc/64/08/45/989640845.db2.gz RAHVBUIKAQIVKN-GFCCVEGCSA-N 0 3 368.409 1.641 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000298177397 989943079 /nfs/dbraw/zinc/94/30/79/989943079.db2.gz RFNZGDLYUJDIJP-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825722061 990063398 /nfs/dbraw/zinc/06/33/98/990063398.db2.gz RTZAXWQQVMTFTG-HZPDHXFCSA-N 0 3 351.403 1.197 20 5 FDBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@H]1N1CCN(C)CC1 ZINC000371339092 990367323 /nfs/dbraw/zinc/36/73/23/990367323.db2.gz MCYGHBYRGKEBSZ-ZIAGYGMSSA-N 0 3 359.434 1.100 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371350596 990373140 /nfs/dbraw/zinc/37/31/40/990373140.db2.gz AKOHQLAVXGXPPP-CJNGLKHVSA-N 0 3 364.421 1.832 20 5 FDBDHN Cn1cc([C@H](O)C[C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000371458775 990447155 /nfs/dbraw/zinc/44/71/55/990447155.db2.gz MBMCKWCEYGTKTO-KBAYOESNSA-N 0 3 360.414 1.950 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874835901 990559398 /nfs/dbraw/zinc/55/93/98/990559398.db2.gz BTHVRIHBVTZVDW-IHRRRGAJSA-N 0 3 364.450 1.522 20 5 FDBDHN COc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1C ZINC000372791845 991534327 /nfs/dbraw/zinc/53/43/27/991534327.db2.gz BQXKADKUADOYTB-HNNXBMFYSA-N 0 3 363.414 1.895 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000876471516 992630901 /nfs/dbraw/zinc/63/09/01/992630901.db2.gz NUMWSFOOIDJXKL-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN COc1cccc([C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCN2)c1 ZINC000879523735 994976075 /nfs/dbraw/zinc/97/60/75/994976075.db2.gz GGIXAHYBGDNBMO-QGZVFWFLSA-N 0 3 358.398 1.412 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000264838163 997631024 /nfs/dbraw/zinc/63/10/24/997631024.db2.gz AFAAMBZQFPLIIZ-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1F ZINC000889763231 998617139 /nfs/dbraw/zinc/61/71/39/998617139.db2.gz RWHHITPQYGWVDJ-JCURWCKSSA-N 0 3 365.405 1.895 20 5 FDBDHN CN(CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889768455 998627802 /nfs/dbraw/zinc/62/78/02/998627802.db2.gz NOAHMCPNEQVICS-HOTGVXAUSA-N 0 3 362.430 1.089 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889773437 998638885 /nfs/dbraw/zinc/63/88/85/998638885.db2.gz INGWLJSZIHMUQG-CVEARBPZSA-N 0 3 367.377 1.170 20 5 FDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCCC1 ZINC000826668471 998752164 /nfs/dbraw/zinc/75/21/64/998752164.db2.gz UZNAGLGBQKZYMD-OAHLLOKOSA-N 0 3 362.430 1.670 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000826686299 998867642 /nfs/dbraw/zinc/86/76/42/998867642.db2.gz SWLPQHBRGCLELP-JTQLQIEISA-N 0 3 371.235 1.914 20 5 FDBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000284276722 999795348 /nfs/dbraw/zinc/79/53/48/999795348.db2.gz JPJKVQOLQLPHIV-HNNXBMFYSA-N 0 3 361.402 1.527 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000289318667 1000090154 /nfs/dbraw/zinc/09/01/54/1000090154.db2.gz XAIHNYPCHLSECK-YOEHRIQHSA-N 0 3 372.429 1.754 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291849640 1000198041 /nfs/dbraw/zinc/19/80/41/1000198041.db2.gz OYNNJTGHTNEEHT-FXAWDEMLSA-N 0 3 372.421 1.971 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@](CO)(c2ccccc2)C1 ZINC000291849647 1000198091 /nfs/dbraw/zinc/19/80/91/1000198091.db2.gz OYNNJTGHTNEEHT-PXNSSMCTSA-N 0 3 372.421 1.971 20 5 FDBDHN CN1CCN(CCCCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930204172 1002925132 /nfs/dbraw/zinc/92/51/32/1002925132.db2.gz IKLUAOYKXYTRAB-ROUUACIJSA-N 0 3 360.458 1.842 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000930213842 1002934498 /nfs/dbraw/zinc/93/44/98/1002934498.db2.gz KLDNGKVSCHCUPL-UHFFFAOYSA-N 0 3 367.475 1.578 20 5 FDBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000931612492 1004318488 /nfs/dbraw/zinc/31/84/88/1004318488.db2.gz XUAJPPHJWBFTEM-KBPBESRZSA-N 0 3 352.366 1.797 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000934274271 1005727561 /nfs/dbraw/zinc/72/75/61/1005727561.db2.gz NTLFUHIZJSISKE-IAGOWNOFSA-N 0 3 363.414 1.412 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000934570407 1005761708 /nfs/dbraw/zinc/76/17/08/1005761708.db2.gz JPBZQJMRGTWACL-XJKSGUPXSA-N 0 3 357.414 1.879 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935445814 1005912907 /nfs/dbraw/zinc/91/29/07/1005912907.db2.gz OQPSLNIFXGWPTR-ZTFGCOKTSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000935981997 1006202423 /nfs/dbraw/zinc/20/24/23/1006202423.db2.gz AXUHYJVGXPGGOR-OLZOCXBDSA-N 0 3 367.833 1.848 20 5 FDBDHN CC1(NC(=O)c2ccn3cncc3c2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956432774 1008141308 /nfs/dbraw/zinc/14/13/08/1008141308.db2.gz RLEAKGMRRJQMCU-HUUCEWRRSA-N 0 3 371.397 1.110 20 5 FDBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193782501 178180801 /nfs/dbraw/zinc/18/08/01/178180801.db2.gz BGORHZTYYOYOJB-OAHLLOKOSA-N 0 3 357.414 1.889 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237324947 178307745 /nfs/dbraw/zinc/30/77/45/178307745.db2.gz UHCOYVHTKHKKHO-ZDUSSCGKSA-N 0 3 357.432 1.789 20 5 FDBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000522031954 539534474 /nfs/dbraw/zinc/53/44/74/539534474.db2.gz PVJLSILNFIMRGV-NSHDSACASA-N 0 3 354.382 1.909 20 5 FDBDHN COCCN(CCN(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000264273328 179065401 /nfs/dbraw/zinc/06/54/01/179065401.db2.gz HYLCLTRSGBGEOA-UHFFFAOYSA-N 0 3 354.407 1.323 20 5 FDBDHN COCCN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265406050 179367779 /nfs/dbraw/zinc/36/77/79/179367779.db2.gz YWALPUYAVXUSED-ZDUSSCGKSA-N 0 3 371.821 1.854 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265475915 179386469 /nfs/dbraw/zinc/38/64/69/179386469.db2.gz AYRSZGMFDWPECO-UHFFFAOYSA-N 0 3 355.826 1.634 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268158647 180012059 /nfs/dbraw/zinc/01/20/59/180012059.db2.gz CIZQKBFHKVHFFR-ABAIWWIYSA-N 0 3 356.386 1.388 20 5 FDBDHN COC(=O)[C@@]1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000268340024 180057369 /nfs/dbraw/zinc/05/73/69/180057369.db2.gz KPEMXQSXSMBYME-KRWDZBQOSA-N 0 3 365.386 1.817 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934262261 781932213 /nfs/dbraw/zinc/93/22/13/781932213.db2.gz VYVUNJAJPJBHCX-IRXDYDNUSA-N 0 3 362.430 1.373 20 5 FDBDHN O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397648 540159595 /nfs/dbraw/zinc/15/95/95/540159595.db2.gz MZSAONUTSZMXIY-UHFFFAOYSA-N 0 3 360.292 1.663 20 5 FDBDHN Cc1c(NC(=O)CCN2CCc3n[nH]c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000274954881 181205025 /nfs/dbraw/zinc/20/50/25/181205025.db2.gz HRFRBHFIRBBISH-UHFFFAOYSA-N 0 3 357.370 1.373 20 5 FDBDHN CN1CCN(C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000535008647 540438087 /nfs/dbraw/zinc/43/80/87/540438087.db2.gz PEPMOHVMBODLNT-AWEZNQCLSA-N 0 3 358.402 1.036 20 5 FDBDHN COc1cc(CN2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000934264639 781936791 /nfs/dbraw/zinc/93/67/91/781936791.db2.gz ICNWPFZPLFZDIE-CABCVRRESA-N 0 3 353.394 1.774 20 5 FDBDHN COCCN1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542666506 541444964 /nfs/dbraw/zinc/44/49/64/541444964.db2.gz SFHDJRCJXRCROP-UHFFFAOYSA-N 0 3 371.459 1.069 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000282405085 182005644 /nfs/dbraw/zinc/00/56/44/182005644.db2.gz IAHZBNZXIBIWFM-UHFFFAOYSA-N 0 3 360.414 1.934 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000283055314 182098962 /nfs/dbraw/zinc/09/89/62/182098962.db2.gz HXSNCZNSVZBIPO-CQSZACIVSA-N 0 3 364.446 1.749 20 5 FDBDHN CCN(CC)CCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000283662424 182244196 /nfs/dbraw/zinc/24/41/96/182244196.db2.gz DNSCYWPTZAIPAO-UHFFFAOYSA-N 0 3 362.430 1.544 20 5 FDBDHN CCN1CCN(CCCNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286273648 183028819 /nfs/dbraw/zinc/02/88/19/183028819.db2.gz WPLQJFUVWQABCL-UHFFFAOYSA-N 0 3 365.434 1.524 20 5 FDBDHN COC(=O)c1cc(C)nc(NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000287623238 183339542 /nfs/dbraw/zinc/33/95/42/183339542.db2.gz GSCBHOGTZIVQOG-ZDUSSCGKSA-N 0 3 366.418 1.998 20 5 FDBDHN CC(C)(C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295457747 184073590 /nfs/dbraw/zinc/07/35/90/184073590.db2.gz MMFWCXJUZJODGM-CYBMUJFWSA-N 0 3 367.421 1.975 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000295602729 184086771 /nfs/dbraw/zinc/08/67/71/184086771.db2.gz UOGCIZYVUUXMMU-OCCSQVGLSA-N 0 3 357.407 1.860 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295493276 184076925 /nfs/dbraw/zinc/07/69/25/184076925.db2.gz KDSBCHXSIOCYRP-OAHLLOKOSA-N 0 3 360.418 1.826 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295526293 184080418 /nfs/dbraw/zinc/08/04/18/184080418.db2.gz VARVVELNWRLHHD-IRXDYDNUSA-N 0 3 362.430 1.637 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000296863555 184208611 /nfs/dbraw/zinc/20/86/11/184208611.db2.gz ZADQNEYKNNGQNK-ZDUSSCGKSA-N 0 3 362.430 1.958 20 5 FDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296959005 184219348 /nfs/dbraw/zinc/21/93/48/184219348.db2.gz YFGBWHUJQBKHES-CYBMUJFWSA-N 0 3 369.418 1.791 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296885189 184210987 /nfs/dbraw/zinc/21/09/87/184210987.db2.gz NLVLVEBGRZPZNJ-GFCCVEGCSA-N 0 3 352.391 1.572 20 5 FDBDHN Nc1nccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000548386173 542653493 /nfs/dbraw/zinc/65/34/93/542653493.db2.gz LCNRBIORDHWSFB-UHFFFAOYSA-N 0 3 363.418 1.337 20 5 FDBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000123679290 132248801 /nfs/dbraw/zinc/24/88/01/132248801.db2.gz KXJWYPLONCLZAK-UHFFFAOYSA-N 0 3 366.374 1.640 20 5 FDBDHN Nc1nccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000548711354 542760494 /nfs/dbraw/zinc/76/04/94/542760494.db2.gz DIFFIXTXJWZZTO-HNNXBMFYSA-N 0 3 355.398 2.139 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548745228 542769800 /nfs/dbraw/zinc/76/98/00/542769800.db2.gz MBZYYDOVDUVIOP-SWLSCSKDSA-N 0 3 355.398 1.822 20 5 FDBDHN CN1CCN(CCCCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000548749241 542770441 /nfs/dbraw/zinc/77/04/41/542770441.db2.gz IYHHBGPLNPCIGJ-UHFFFAOYSA-N 0 3 363.462 1.464 20 5 FDBDHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000551011250 543215289 /nfs/dbraw/zinc/21/52/89/543215289.db2.gz OSYVJBKLEMXXSA-JTQLQIEISA-N 0 3 357.388 1.239 20 5 FDBDHN O=Cc1ccc(OCC(=O)N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000068323522 172018078 /nfs/dbraw/zinc/01/80/78/172018078.db2.gz LNJKOTQDBZJFAD-HNNXBMFYSA-N 0 3 361.398 1.873 20 5 FDBDHN CCCCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522664 172265750 /nfs/dbraw/zinc/26/57/50/172265750.db2.gz OZUBTJPIZLNOEN-CQSZACIVSA-N 0 3 350.419 1.385 20 5 FDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000091963753 172291453 /nfs/dbraw/zinc/29/14/53/172291453.db2.gz ZCYLHMQPIQRSAE-FNORWQNLSA-N 0 3 353.444 1.964 20 5 FDBDHN CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000097000208 172325403 /nfs/dbraw/zinc/32/54/03/172325403.db2.gz NQGQUUKHEGBXSA-UHFFFAOYSA-N 0 3 370.475 1.241 20 5 FDBDHN O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000127079927 173063651 /nfs/dbraw/zinc/06/36/51/173063651.db2.gz VWUUSDZODXSPBP-OLZOCXBDSA-N 0 3 359.386 1.454 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(Cc2cccs2)CC1 ZINC000145735972 173377426 /nfs/dbraw/zinc/37/74/26/173377426.db2.gz VIKRTZQFVNDTLV-UHFFFAOYSA-N 0 3 363.443 1.881 20 5 FDBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN(C[C@H]4CCOC4)CC3)cc2N1 ZINC000176951012 174096793 /nfs/dbraw/zinc/09/67/93/174096793.db2.gz RCKRGMQQJVWPSP-CYBMUJFWSA-N 0 3 360.414 1.638 20 5 FDBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000177738954 174154088 /nfs/dbraw/zinc/15/40/88/174154088.db2.gz IONKIDXEBNWRGF-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN CCN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181344440 174218854 /nfs/dbraw/zinc/21/88/54/174218854.db2.gz YFAQJAYAIIKCIA-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280665277 258613971 /nfs/dbraw/zinc/61/39/71/258613971.db2.gz XMVFAOQDGZOAMH-CQSZACIVSA-N 0 3 364.446 1.282 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000553796652 543698468 /nfs/dbraw/zinc/69/84/68/543698468.db2.gz VPDCAHUMEZGIKV-SFHVURJKSA-N 0 3 361.398 1.463 20 5 FDBDHN Cn1ccnc1[C@H](NCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000556862896 544215657 /nfs/dbraw/zinc/21/56/57/544215657.db2.gz HZSXWOCYMMQLEK-GOSISDBHSA-N 0 3 372.473 1.645 20 5 FDBDHN CNc1nccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000557575421 544311574 /nfs/dbraw/zinc/31/15/74/544311574.db2.gz FYMHMEOXSXZXQA-OAHLLOKOSA-N 0 3 357.414 2.373 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000558492375 544449058 /nfs/dbraw/zinc/44/90/58/544449058.db2.gz CTFUJRDCLSBNJO-CQSZACIVSA-N 0 3 352.387 1.787 20 5 FDBDHN CC1(C)NC(=O)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558860693 544543203 /nfs/dbraw/zinc/54/32/03/544543203.db2.gz YYKZGPHAEPUOGN-CYBMUJFWSA-N 0 3 355.416 1.015 20 5 FDBDHN CCN(CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000299510166 259002937 /nfs/dbraw/zinc/00/29/37/259002937.db2.gz MGNZRQUOOUCDFP-QGZVFWFLSA-N 0 3 372.425 1.956 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000299515416 259002963 /nfs/dbraw/zinc/00/29/63/259002963.db2.gz KLAOOEZYGMYPDV-HNNXBMFYSA-N 0 3 370.413 1.876 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000330432689 259144132 /nfs/dbraw/zinc/14/41/32/259144132.db2.gz OIWMXXPUWYULRQ-STQMWFEESA-N 0 3 350.419 1.884 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455488 259145647 /nfs/dbraw/zinc/14/56/47/259145647.db2.gz OASGJVXUBPHPRL-XQQFMLRXSA-N 0 3 373.479 1.456 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455488 259145648 /nfs/dbraw/zinc/14/56/48/259145648.db2.gz OASGJVXUBPHPRL-XQQFMLRXSA-N 0 3 373.479 1.456 20 5 FDBDHN CN(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000330636636 259155040 /nfs/dbraw/zinc/15/50/40/259155040.db2.gz ALQNLLJLZHOIOF-UHFFFAOYSA-N 0 3 355.416 1.165 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C ZINC000332545260 259275531 /nfs/dbraw/zinc/27/55/31/259275531.db2.gz MKLKEMHFWIWFHH-LSDHHAIUSA-N 0 3 361.446 1.909 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000367241882 260014508 /nfs/dbraw/zinc/01/45/08/260014508.db2.gz UGBUOEZCDIQVFM-BETUJISGSA-N 0 3 365.434 1.290 20 5 FDBDHN COC(=O)c1cc(C)nc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000367265610 260018301 /nfs/dbraw/zinc/01/83/01/260018301.db2.gz YLQZELUQVKQOSJ-ZDUSSCGKSA-N 0 3 364.402 1.750 20 5 FDBDHN O=[N+]([O-])c1ccc(Cl)cc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000367344694 260028087 /nfs/dbraw/zinc/02/80/87/260028087.db2.gz AAMLXZKCASAJJE-CYBMUJFWSA-N 0 3 373.862 1.994 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000371937592 260792161 /nfs/dbraw/zinc/79/21/61/260792161.db2.gz LGYYPTIYVRUSRN-INIZCTEOSA-N 0 3 358.398 1.674 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000373922877 261052444 /nfs/dbraw/zinc/05/24/44/261052444.db2.gz YBWBBSBCVCVYCJ-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000374053663 261071384 /nfs/dbraw/zinc/07/13/84/261071384.db2.gz UQMVKRYRDMZHLL-HUUCEWRRSA-N 0 3 363.414 1.652 20 5 FDBDHN Cc1nc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000374642476 261168457 /nfs/dbraw/zinc/16/84/57/261168457.db2.gz IFDIXDDKMHYBBP-AWEZNQCLSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000374642476 261168458 /nfs/dbraw/zinc/16/84/58/261168458.db2.gz IFDIXDDKMHYBBP-AWEZNQCLSA-N 0 3 361.402 1.641 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000374806884 261201119 /nfs/dbraw/zinc/20/11/19/261201119.db2.gz NSZRGUQJLODIJW-NFAWXSAZSA-N 0 3 362.430 1.796 20 5 FDBDHN COc1cc(OCC(=O)Nc2cnc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000378401004 262017866 /nfs/dbraw/zinc/01/78/66/262017866.db2.gz UDANCWWWJXDCIL-UHFFFAOYSA-N 0 3 358.354 1.662 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000409709149 262135488 /nfs/dbraw/zinc/13/54/88/262135488.db2.gz DNCIRZHFNFNDQK-CQSZACIVSA-N 0 3 351.403 1.183 20 5 FDBDHN CS(=O)(=O)c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000007365448 518417568 /nfs/dbraw/zinc/41/75/68/518417568.db2.gz YKVRWMIYOLGWSK-UHFFFAOYSA-N 0 3 362.411 1.720 20 5 FDBDHN COc1cccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000008167473 518460355 /nfs/dbraw/zinc/46/03/55/518460355.db2.gz ZXKUTMNGFMHTQR-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000027744096 519194175 /nfs/dbraw/zinc/19/41/75/519194175.db2.gz QTCLCRDWYVYZSI-KBPBESRZSA-N 0 3 362.430 1.704 20 5 FDBDHN O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000030285121 519355529 /nfs/dbraw/zinc/35/55/29/519355529.db2.gz UQKVHVGYOHRTQA-UHFFFAOYSA-N 0 3 360.414 1.914 20 5 FDBDHN O=C(NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000030285170 519356529 /nfs/dbraw/zinc/35/65/29/519356529.db2.gz VTPPJOCXXOOERA-MRXNPFEDSA-N 0 3 363.414 1.325 20 5 FDBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000032733335 519532870 /nfs/dbraw/zinc/53/28/70/519532870.db2.gz BRDYOORHGGPTHS-KBPBESRZSA-N 0 3 362.430 1.704 20 5 FDBDHN CN1CCN(CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000041349742 519652306 /nfs/dbraw/zinc/65/23/06/519652306.db2.gz VBGLIKGTYBVQHA-UHFFFAOYSA-N 0 3 363.462 1.541 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000065893604 522909109 /nfs/dbraw/zinc/90/91/09/522909109.db2.gz CSOVNWGPUPWIOB-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000066047247 522941259 /nfs/dbraw/zinc/94/12/59/522941259.db2.gz KEFSBMDHSMPPHZ-UHFFFAOYSA-N 0 3 361.402 1.357 20 5 FDBDHN CC(=O)NC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000067414206 523438370 /nfs/dbraw/zinc/43/83/70/523438370.db2.gz WIGKFSPFLSERFA-ZBFHGGJFSA-N 0 3 351.403 1.183 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000055198125 523765055 /nfs/dbraw/zinc/76/50/55/523765055.db2.gz RBZPATGVVCLRIL-UHFFFAOYSA-N 0 3 352.460 1.636 20 5 FDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055401114 523807225 /nfs/dbraw/zinc/80/72/25/523807225.db2.gz FQJTVADJAOSMSK-ZIAGYGMSSA-N 0 3 362.430 1.561 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000068574767 523826526 /nfs/dbraw/zinc/82/65/26/523826526.db2.gz IXDJEFNUAJYTRK-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080684709 523897762 /nfs/dbraw/zinc/89/77/62/523897762.db2.gz BNBMCHGHSNNBMD-UHFFFAOYSA-N 0 3 358.464 1.623 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000121312832 524217836 /nfs/dbraw/zinc/21/78/36/524217836.db2.gz FRLTWZCBOUXQEL-AWEZNQCLSA-N 0 3 360.414 1.847 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146609737 524418399 /nfs/dbraw/zinc/41/83/99/524418399.db2.gz JSXLXKVVRRCKIV-CYBMUJFWSA-N 0 3 355.416 1.462 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000122352764 524515887 /nfs/dbraw/zinc/51/58/87/524515887.db2.gz BKYLGNKRFKAMIW-AAEUAGOBSA-N 0 3 357.407 1.839 20 5 FDBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174549956 524624779 /nfs/dbraw/zinc/62/47/79/524624779.db2.gz VMIHWHJCEXMXBE-HIFRSBDPSA-N 0 3 363.422 1.204 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000159366843 524653133 /nfs/dbraw/zinc/65/31/33/524653133.db2.gz VRPCVTXTULBAGH-MRXNPFEDSA-N 0 3 350.394 1.648 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(CCc2ccccc2)CC1 ZINC000159707662 524724517 /nfs/dbraw/zinc/72/45/17/524724517.db2.gz FCCLPQOTVMVARX-UHFFFAOYSA-N 0 3 356.426 1.617 20 5 FDBDHN CN1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000159879658 524759477 /nfs/dbraw/zinc/75/94/77/524759477.db2.gz ZBVKDLPPQCBYII-INIZCTEOSA-N 0 3 372.429 1.427 20 5 FDBDHN CN1CCN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000159879658 524759488 /nfs/dbraw/zinc/75/94/88/524759488.db2.gz ZBVKDLPPQCBYII-INIZCTEOSA-N 0 3 372.429 1.427 20 5 FDBDHN C[C@@H]1CN(Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000159913889 524767492 /nfs/dbraw/zinc/76/74/92/524767492.db2.gz NDBRSAPTBLBLSG-BETUJISGSA-N 0 3 373.413 1.857 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000175081119 524865095 /nfs/dbraw/zinc/86/50/95/524865095.db2.gz SCTZOYKSURGBDQ-VXGBXAGGSA-N 0 3 357.432 1.755 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160596771 524924468 /nfs/dbraw/zinc/92/44/68/524924468.db2.gz BDDKOKGBBMFACX-UHFFFAOYSA-N 0 3 353.444 1.751 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000124676964 525049566 /nfs/dbraw/zinc/04/95/66/525049566.db2.gz IUDZILFGLJYUNP-AAEUAGOBSA-N 0 3 374.401 1.264 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000152992424 525069309 /nfs/dbraw/zinc/06/93/09/525069309.db2.gz WCYPONUBEAIQEG-UHFFFAOYSA-N 0 3 350.419 1.371 20 5 FDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000124814895 525085191 /nfs/dbraw/zinc/08/51/91/525085191.db2.gz DZZWMHWMMMPUHU-AAEUAGOBSA-N 0 3 374.401 1.264 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000161659495 525146648 /nfs/dbraw/zinc/14/66/48/525146648.db2.gz ZYVRFINRKSVUHB-OAHLLOKOSA-N 0 3 371.459 1.274 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCN2CCC[C@@H]2CO)cc1 ZINC000161745498 525161540 /nfs/dbraw/zinc/16/15/40/525161540.db2.gz QAURIJDDISUFPZ-MRXNPFEDSA-N 0 3 371.459 1.251 20 5 FDBDHN CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2cnccc21 ZINC000176975320 525210555 /nfs/dbraw/zinc/21/05/55/525210555.db2.gz BAMLFCLNIHRINF-UHFFFAOYSA-N 0 3 352.347 1.774 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153991241 525384258 /nfs/dbraw/zinc/38/42/58/525384258.db2.gz HRGBBELWJJQAOI-QGZVFWFLSA-N 0 3 364.446 1.114 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000180523650 525716064 /nfs/dbraw/zinc/71/60/64/525716064.db2.gz JMGPUPNRTHNYRA-UHFFFAOYSA-N 0 3 355.398 1.750 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000170844135 525733891 /nfs/dbraw/zinc/73/38/91/525733891.db2.gz OVIPXAGQFNRQKW-ZDUSSCGKSA-N 0 3 370.475 1.766 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000155198653 525778324 /nfs/dbraw/zinc/77/83/24/525778324.db2.gz AOAADFCYIUEKED-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000119587468 525796347 /nfs/dbraw/zinc/79/63/47/525796347.db2.gz YIULVLYZOYFWAB-DYVFJYSZSA-N 0 3 370.413 1.732 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891410 525813915 /nfs/dbraw/zinc/81/39/15/525813915.db2.gz VLEPJOKYTNYNOC-LBPRGKRZSA-N 0 3 369.443 1.899 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108303747 525950472 /nfs/dbraw/zinc/95/04/72/525950472.db2.gz ZDZSZHFMZXWRDL-WFASDCNBSA-N 0 3 360.414 1.314 20 5 FDBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182327118 526137094 /nfs/dbraw/zinc/13/70/94/526137094.db2.gz NFSOSFCCTWQDIO-ZDUSSCGKSA-N 0 3 367.446 1.865 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110019119 526215546 /nfs/dbraw/zinc/21/55/46/526215546.db2.gz VVSYSHJJDIOJSV-UHFFFAOYSA-N 0 3 360.418 1.181 20 5 FDBDHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](N2CCCC2)C1 ZINC000182997700 535901273 /nfs/dbraw/zinc/90/12/73/535901273.db2.gz LSLAMJLKFXGHIV-SUMWQHHRSA-N 0 3 358.398 1.785 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2CCN(CC3CC3)CC2)cc1 ZINC000183518050 535996134 /nfs/dbraw/zinc/99/61/34/535996134.db2.gz VDYZLBMROBYNFB-UHFFFAOYSA-N 0 3 367.471 1.931 20 5 FDBDHN COC(=O)c1cn(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000183730214 536038098 /nfs/dbraw/zinc/03/80/98/536038098.db2.gz ZXZGVTKZSWPVOA-UHFFFAOYSA-N 0 3 359.386 1.853 20 5 FDBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184015443 536081299 /nfs/dbraw/zinc/08/12/99/536081299.db2.gz ZZPYAOFGMKMAEI-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186920261 536248548 /nfs/dbraw/zinc/24/85/48/536248548.db2.gz RHBJNMMDTDYUPH-NSHDSACASA-N 0 3 361.402 1.388 20 5 FDBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CCO ZINC000187745318 536273582 /nfs/dbraw/zinc/27/35/82/536273582.db2.gz SUIPXFVIEWRYCY-AWEZNQCLSA-N 0 3 360.414 1.791 20 5 FDBDHN C[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000187757617 536273831 /nfs/dbraw/zinc/27/38/31/536273831.db2.gz UPFXJUKCCVXMAJ-GOSISDBHSA-N 0 3 357.414 1.962 20 5 FDBDHN CN(C)C1(CN(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000189125679 537001645 /nfs/dbraw/zinc/00/16/45/537001645.db2.gz TWBGOCMLNFOFHB-UHFFFAOYSA-N 0 3 355.460 1.883 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247073582 537079059 /nfs/dbraw/zinc/07/90/59/537079059.db2.gz OKFWUMGWAJMUTC-GDBMZVCRSA-N 0 3 353.444 1.841 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000247310439 537106276 /nfs/dbraw/zinc/10/62/76/537106276.db2.gz QSDCMYAMSUUDNI-LRDDRELGSA-N 0 3 361.398 1.938 20 5 FDBDHN C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189878279 537109527 /nfs/dbraw/zinc/10/95/27/537109527.db2.gz FXDRSXSLNHQOJR-HOCLYGCPSA-N 0 3 367.446 1.112 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247343992 537110906 /nfs/dbraw/zinc/11/09/06/537110906.db2.gz HSVFZFCJVKQQDL-GOEBONIOSA-N 0 3 353.444 1.841 20 5 FDBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247456319 537120785 /nfs/dbraw/zinc/12/07/85/537120785.db2.gz HXHQLZAZXOOCBO-UKRRQHHQSA-N 0 3 367.450 1.027 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000263873647 537124267 /nfs/dbraw/zinc/12/42/67/537124267.db2.gz USPCQGLYXJVXMA-WMLDXEAASA-N 0 3 374.441 1.800 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000265997384 537183225 /nfs/dbraw/zinc/18/32/25/537183225.db2.gz NYNFTEKHRCFWSF-NEPJUHHUSA-N 0 3 374.397 1.132 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000248713589 537208357 /nfs/dbraw/zinc/20/83/57/537208357.db2.gz BPOXSOPQUCAVPV-WMLDXEAASA-N 0 3 372.429 1.611 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248762271 537211620 /nfs/dbraw/zinc/21/16/20/537211620.db2.gz GRVCWYDPPCTZPR-BLLLJJGKSA-N 0 3 355.398 1.822 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000191839133 537213159 /nfs/dbraw/zinc/21/31/59/537213159.db2.gz JWGJYMHFAIFLEW-CHWSQXEVSA-N 0 3 353.423 1.430 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)n1 ZINC000191857364 537213583 /nfs/dbraw/zinc/21/35/83/537213583.db2.gz SKMXUHATIMZECI-UHFFFAOYSA-N 0 3 361.402 1.721 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000282208648 537261462 /nfs/dbraw/zinc/26/14/62/537261462.db2.gz DFMCCATVKKKNRO-BONVTDFDSA-N 0 3 350.375 1.046 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000290216074 537292278 /nfs/dbraw/zinc/29/22/78/537292278.db2.gz JHBQJVXQUHAEMY-CYBMUJFWSA-N 0 3 362.430 1.944 20 5 FDBDHN Cc1nn(CCC(=O)N2CCCN(CC(C)(C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000363741880 537299947 /nfs/dbraw/zinc/29/99/47/537299947.db2.gz FKCPRDKWPPNIBZ-UHFFFAOYSA-N 0 3 367.450 1.103 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC2CC2)CC1 ZINC000298799826 537321865 /nfs/dbraw/zinc/32/18/65/537321865.db2.gz NCHZRGGVHTWLKH-UHFFFAOYSA-N 0 3 362.430 1.960 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195154695 537361716 /nfs/dbraw/zinc/36/17/16/537361716.db2.gz YIMVGAIRNKHMPQ-UHFFFAOYSA-N 0 3 367.356 1.660 20 5 FDBDHN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290735275 537399522 /nfs/dbraw/zinc/39/95/22/537399522.db2.gz GKDVFTIGVKLGCY-CQSZACIVSA-N 0 3 355.398 1.799 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)C[S@@](C)=O ZINC000299019393 537408963 /nfs/dbraw/zinc/40/89/63/537408963.db2.gz RAEGMARMOHGCOF-APXPCNQMSA-N 0 3 357.432 1.631 20 5 FDBDHN Cc1cc(OCC(=O)NCCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000280731123 537447546 /nfs/dbraw/zinc/44/75/46/537447546.db2.gz DNESDMGKNWNPFP-OAHLLOKOSA-N 0 3 365.430 1.899 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1=CCN(C)CC1 ZINC000273912685 537511337 /nfs/dbraw/zinc/51/13/37/537511337.db2.gz IWDMERFSOXWXSS-UHFFFAOYSA-N 0 3 370.431 1.451 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@@H](CO)C1 ZINC000291387358 537571301 /nfs/dbraw/zinc/57/13/01/537571301.db2.gz BERFDVLSAQSRLQ-LLVKDONJSA-N 0 3 373.356 1.882 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000228303981 537574025 /nfs/dbraw/zinc/57/40/25/537574025.db2.gz GWQAOIBQRTUREP-GDBMZVCRSA-N 0 3 370.409 1.708 20 5 FDBDHN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000285124792 537621782 /nfs/dbraw/zinc/62/17/82/537621782.db2.gz NWJKYERFGHWRGR-ZDUSSCGKSA-N 0 3 358.358 1.020 20 5 FDBDHN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000285124792 537621785 /nfs/dbraw/zinc/62/17/85/537621785.db2.gz NWJKYERFGHWRGR-ZDUSSCGKSA-N 0 3 358.358 1.020 20 5 FDBDHN NC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237807440 537640975 /nfs/dbraw/zinc/64/09/75/537640975.db2.gz QHRPMSBDQDADRV-ZBFHGGJFSA-N 0 3 355.398 1.745 20 5 FDBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285591861 537734721 /nfs/dbraw/zinc/73/47/21/537734721.db2.gz BNEBKMJRGRWTSO-MNOVXSKESA-N 0 3 351.359 1.403 20 5 FDBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411561498 537776413 /nfs/dbraw/zinc/77/64/13/537776413.db2.gz AWSBKPFZUBRVKN-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 ZINC000416309311 537799371 /nfs/dbraw/zinc/79/93/71/537799371.db2.gz VPXKFBGGSLWZEG-UHFFFAOYSA-N 0 3 362.415 1.688 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372246640 537905962 /nfs/dbraw/zinc/90/59/62/537905962.db2.gz GEFRWXRHIPMQRW-INWMFGNUSA-N 0 3 362.434 1.621 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000377563796 537978571 /nfs/dbraw/zinc/97/85/71/537978571.db2.gz GVJUNIXROJVEBV-CABCVRRESA-N 0 3 359.386 1.142 20 5 FDBDHN Cc1cc(C)n(CC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000369783944 538068838 /nfs/dbraw/zinc/06/88/38/538068838.db2.gz XQEKWJLHMDJIOV-KRWDZBQOSA-N 0 3 362.434 1.378 20 5 FDBDHN COCCNCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418504985 538094028 /nfs/dbraw/zinc/09/40/28/538094028.db2.gz CXJBRGWTHGIWLE-HNNXBMFYSA-N 0 3 350.419 1.720 20 5 FDBDHN COC(=O)CC1(NCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1 ZINC000439253967 538163121 /nfs/dbraw/zinc/16/31/21/538163121.db2.gz CVHIWVZWMAOIBU-UHFFFAOYSA-N 0 3 370.427 1.237 20 5 FDBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(C)CC1 ZINC000427777910 538234609 /nfs/dbraw/zinc/23/46/09/538234609.db2.gz FALIZNWSRVATJP-UHFFFAOYSA-N 0 3 351.407 1.145 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424288828 538270912 /nfs/dbraw/zinc/27/09/12/538270912.db2.gz JKXPGWGBCCEELU-AEGPPILISA-N 0 3 372.429 1.390 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424287069 538272012 /nfs/dbraw/zinc/27/20/12/538272012.db2.gz IJFCPALRECGRCA-UONOGXRCSA-N 0 3 358.402 1.002 20 5 FDBDHN CCO[C@@H]1COC[C@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451942723 538341426 /nfs/dbraw/zinc/34/14/26/538341426.db2.gz BZQBRVRNQFNYBJ-IUODEOHRSA-N 0 3 351.359 1.286 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@]1(CO)CCOC1 ZINC000461369144 538513056 /nfs/dbraw/zinc/51/30/56/538513056.db2.gz ZIWJZGHXBZBQKA-MRXNPFEDSA-N 0 3 353.375 1.015 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000560679106 545578741 /nfs/dbraw/zinc/57/87/41/545578741.db2.gz WYINEOUQHTXIJW-MRXNPFEDSA-N 0 3 359.386 1.387 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000560771398 545600873 /nfs/dbraw/zinc/60/08/73/545600873.db2.gz RZOLIFHPOCYNHH-UHFFFAOYSA-N 0 3 363.418 1.020 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000564050605 546786950 /nfs/dbraw/zinc/78/69/50/546786950.db2.gz NVLWDKSDSFMFGU-DZGCQCFKSA-N 0 3 350.467 1.582 20 5 FDBDHN Cc1ccc([C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000564847114 547064861 /nfs/dbraw/zinc/06/48/61/547064861.db2.gz JEYZSTNAOTUUBZ-HZPDHXFCSA-N 0 3 363.418 1.480 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])c2)CC1 ZINC000565196933 547249004 /nfs/dbraw/zinc/24/90/04/547249004.db2.gz WLAVUKBCYUOKCO-UHFFFAOYSA-N 0 3 370.413 1.966 20 5 FDBDHN Cc1c(C(=O)NCC(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000565966485 547550762 /nfs/dbraw/zinc/55/07/62/547550762.db2.gz HSVKYUWOEOXCOQ-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000566221112 547665953 /nfs/dbraw/zinc/66/59/53/547665953.db2.gz XMKFBDCELUTOGL-JGVFFNPUSA-N 0 3 366.237 1.761 20 5 FDBDHN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000566473434 547774231 /nfs/dbraw/zinc/77/42/31/547774231.db2.gz AVHBICDNYCMMFX-WMLDXEAASA-N 0 3 374.441 1.105 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CCN(C3CC3)CC2)cc1 ZINC000566969106 547947832 /nfs/dbraw/zinc/94/78/32/547947832.db2.gz UHOUYHFSFRKALJ-UHFFFAOYSA-N 0 3 367.471 1.833 20 5 FDBDHN O=C(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000567104380 547996623 /nfs/dbraw/zinc/99/66/23/547996623.db2.gz MCEKEXIFARCRSE-INIZCTEOSA-N 0 3 359.382 1.953 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570377529 549257410 /nfs/dbraw/zinc/25/74/10/549257410.db2.gz IZCSPXHLGDMHHE-CQSZACIVSA-N 0 3 374.441 1.280 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000570692070 549377633 /nfs/dbraw/zinc/37/76/33/549377633.db2.gz FTXNKBZENCSRBL-MRXNPFEDSA-N 0 3 351.403 1.929 20 5 FDBDHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571046896 549506572 /nfs/dbraw/zinc/50/65/72/549506572.db2.gz NPXRZHVBYDOXON-WPRPVWTQSA-N 0 3 367.349 1.890 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCCC1 ZINC000572198473 549863241 /nfs/dbraw/zinc/86/32/41/549863241.db2.gz JXLMUWLAWRHPEB-MRXNPFEDSA-N 0 3 364.446 1.750 20 5 FDBDHN O=C(Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1)C1CCC1 ZINC000573083879 550059658 /nfs/dbraw/zinc/05/96/58/550059658.db2.gz HHOOZDFZDQMPGK-KRWDZBQOSA-N 0 3 373.413 1.681 20 5 FDBDHN CNc1nccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000575135735 550432504 /nfs/dbraw/zinc/43/25/04/550432504.db2.gz JUTSRTOVMRKMAV-CQSZACIVSA-N 0 3 361.377 2.203 20 5 FDBDHN CN(CCCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccncc1 ZINC000575342689 550455555 /nfs/dbraw/zinc/45/55/55/550455555.db2.gz NAPYOOMQBXLBCT-UHFFFAOYSA-N 0 3 360.418 1.557 20 5 FDBDHN O=C(CCN[C@@H](CO)CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000577492564 550662320 /nfs/dbraw/zinc/66/23/20/550662320.db2.gz KSSQSJLPUZUKKK-CQSZACIVSA-N 0 3 350.419 1.360 20 5 FDBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000577501260 550663591 /nfs/dbraw/zinc/66/35/91/550663591.db2.gz XVODNDCYYAACEA-CQSZACIVSA-N 0 3 355.460 1.690 20 5 FDBDHN CNc1nccc(C(=O)NCC2(SC)CCN(C)CC2)c1[N+](=O)[O-] ZINC000577528984 550666734 /nfs/dbraw/zinc/66/67/34/550666734.db2.gz MAQCERZEESADNJ-UHFFFAOYSA-N 0 3 353.448 1.589 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000578165639 550735125 /nfs/dbraw/zinc/73/51/25/550735125.db2.gz IKYWQHOQWOIXLE-IUODEOHRSA-N 0 3 362.430 1.318 20 5 FDBDHN Cc1nccnc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579463740 550876195 /nfs/dbraw/zinc/87/61/95/550876195.db2.gz IPWFRYASKWOQAS-UHFFFAOYSA-N 0 3 350.400 1.299 20 5 FDBDHN CC1(C)CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000579729694 550904612 /nfs/dbraw/zinc/90/46/12/550904612.db2.gz NQWXVVPMZMBNDC-UHFFFAOYSA-N 0 3 374.441 1.611 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580985487 551039800 /nfs/dbraw/zinc/03/98/00/551039800.db2.gz GFHWSTBGBXVSRV-QGZVFWFLSA-N 0 3 363.418 1.230 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]CCC2(F)F)c2ncccc12 ZINC000581131871 551055388 /nfs/dbraw/zinc/05/53/88/551055388.db2.gz ZIILVGVJZCPEMZ-GFCCVEGCSA-N 0 3 372.353 1.419 20 5 FDBDHN CN(CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccncc1 ZINC000582251270 551197454 /nfs/dbraw/zinc/19/74/54/551197454.db2.gz PQYSHTBHLMFBOS-UHFFFAOYSA-N 0 3 358.402 1.561 20 5 FDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582414995 551220775 /nfs/dbraw/zinc/22/07/75/551220775.db2.gz MLFLXXFEMCTPSE-UHFFFAOYSA-N 0 3 371.353 1.380 20 5 FDBDHN C[C@H](NC1CC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000582664273 551253583 /nfs/dbraw/zinc/25/35/83/551253583.db2.gz HAZCRFUUMOMYNR-LBPRGKRZSA-N 0 3 372.429 1.650 20 5 FDBDHN CN(C)CCOc1cnccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000582747424 551262387 /nfs/dbraw/zinc/26/23/87/551262387.db2.gz RUPOYWBNZYKXHZ-UHFFFAOYSA-N 0 3 368.397 2.486 20 5 FDBDHN C[C@@H]1CCN(CC(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000583093282 551303016 /nfs/dbraw/zinc/30/30/16/551303016.db2.gz IISHOEYFSCYUPP-CYBMUJFWSA-N 0 3 372.429 1.798 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2Cn2ccnc2)c1 ZINC000583317054 551334021 /nfs/dbraw/zinc/33/40/21/551334021.db2.gz NZYVMGFTKPGKTA-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000583464753 551355936 /nfs/dbraw/zinc/35/59/36/551355936.db2.gz GIEHCHKCKKOKSE-UHFFFAOYSA-N 0 3 364.446 1.493 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)CC2CCCC2)cc1 ZINC000584053175 551439954 /nfs/dbraw/zinc/43/99/54/551439954.db2.gz AVMMNUBEELSXMO-CQSZACIVSA-N 0 3 356.444 1.899 20 5 FDBDHN CN(Cc1ccccc1)C(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584542682 551515033 /nfs/dbraw/zinc/51/50/33/551515033.db2.gz CKWQWWPLPZPCAA-QGZVFWFLSA-N 0 3 373.409 1.583 20 5 FDBDHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584694558 551531203 /nfs/dbraw/zinc/53/12/03/551531203.db2.gz DFMIJGRAIYDZQG-YOEHRIQHSA-N 0 3 374.441 1.463 20 5 FDBDHN C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584694555 551531230 /nfs/dbraw/zinc/53/12/30/551531230.db2.gz DFMIJGRAIYDZQG-PBHICJAKSA-N 0 3 374.441 1.463 20 5 FDBDHN COCCN1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587837864 551636112 /nfs/dbraw/zinc/63/61/12/551636112.db2.gz UPRBITQBIYVQQT-LBPRGKRZSA-N 0 3 352.391 1.608 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000588823489 551690886 /nfs/dbraw/zinc/69/08/86/551690886.db2.gz GWOLMCXXGPHERL-ZDUSSCGKSA-N 0 3 350.423 1.038 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860577 551693911 /nfs/dbraw/zinc/69/39/11/551693911.db2.gz IUKYCCZOIISPCT-CHWSQXEVSA-N 0 3 372.381 1.130 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590281628 551769769 /nfs/dbraw/zinc/76/97/69/551769769.db2.gz PTMBOMGJEKLKFY-ZANVPECISA-N 0 3 352.778 1.349 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590281627 551770006 /nfs/dbraw/zinc/77/00/06/551770006.db2.gz PTMBOMGJEKLKFY-TVQRCGJNSA-N 0 3 352.778 1.349 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590345027 551775180 /nfs/dbraw/zinc/77/51/80/551775180.db2.gz JERDZUXTIKFJKD-HNNXBMFYSA-N 0 3 362.430 1.657 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000590446374 551785532 /nfs/dbraw/zinc/78/55/32/551785532.db2.gz TTWSGEHKQFOZCA-DOMZBBRYSA-N 0 3 356.382 1.684 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000591015690 551835839 /nfs/dbraw/zinc/83/58/39/551835839.db2.gz BFDFKFYNVUNPBU-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FDBDHN CN(C)[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000591740102 551905049 /nfs/dbraw/zinc/90/50/49/551905049.db2.gz UXZSLZDGWRFGMH-IUODEOHRSA-N 0 3 369.372 1.323 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC000592104699 551942596 /nfs/dbraw/zinc/94/25/96/551942596.db2.gz TXBMKTRCDYJLMR-UHFFFAOYSA-N 0 3 355.416 1.080 20 5 FDBDHN O=C(CCN[C@@H]1CCCc2c1cnn2CCO)Nc1ccccc1[N+](=O)[O-] ZINC000592430010 551994400 /nfs/dbraw/zinc/99/44/00/551994400.db2.gz YBDWLLWOOMBMMQ-CQSZACIVSA-N 0 3 373.413 1.779 20 5 FDBDHN NCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000592444485 551996344 /nfs/dbraw/zinc/99/63/44/551996344.db2.gz DDKBMKBQEVUKNE-CYBMUJFWSA-N 0 3 358.354 1.890 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592875604 552037947 /nfs/dbraw/zinc/03/79/47/552037947.db2.gz ZOMOADHBFQGHIU-LLVKDONJSA-N 0 3 368.821 1.369 20 5 FDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593065813 552057377 /nfs/dbraw/zinc/05/73/77/552057377.db2.gz DZCPKWPKDIVFOM-CHWSQXEVSA-N 0 3 353.375 1.014 20 5 FDBDHN C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000593466692 552113400 /nfs/dbraw/zinc/11/34/00/552113400.db2.gz IWKGMPQSNVNHRS-ZDUSSCGKSA-N 0 3 352.410 1.276 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027049 552240630 /nfs/dbraw/zinc/24/06/30/552240630.db2.gz KONVTTLNQYNGPA-WCFLWFBJSA-N 0 3 368.821 1.326 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000594494392 552326016 /nfs/dbraw/zinc/32/60/16/552326016.db2.gz AGFIVUUDBCBEPR-MAUKXSAKSA-N 0 3 360.458 1.578 20 5 FDBDHN COC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000594711473 552361077 /nfs/dbraw/zinc/36/10/77/552361077.db2.gz OWKSIEKDCUUUQH-DLBZAZTESA-N 0 3 363.414 1.731 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000595033754 552440531 /nfs/dbraw/zinc/44/05/31/552440531.db2.gz CLQXDAGTDKXQQZ-RYUDHWBXSA-N 0 3 357.432 1.536 20 5 FDBDHN CCOc1ccc([C@@H](C)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595077569 552445851 /nfs/dbraw/zinc/44/58/51/552445851.db2.gz JRGFAMOOBSDJLW-DYVFJYSZSA-N 0 3 354.403 1.812 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000595276282 552510290 /nfs/dbraw/zinc/51/02/90/552510290.db2.gz WVZSJBOOHKLPPG-UHFFFAOYSA-N 0 3 372.385 1.423 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595385243 552544716 /nfs/dbraw/zinc/54/47/16/552544716.db2.gz XDVZOBTVQLAIJJ-CQSZACIVSA-N 0 3 369.443 1.123 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595946876 552636909 /nfs/dbraw/zinc/63/69/09/552636909.db2.gz JPFPABCDNUTGGE-UHFFFAOYSA-N 0 3 363.399 1.591 20 5 FDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000596049287 552649767 /nfs/dbraw/zinc/64/97/67/552649767.db2.gz DFJGOSUFGGXGQV-LLVKDONJSA-N 0 3 355.338 1.289 20 5 FDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000596053379 552650513 /nfs/dbraw/zinc/65/05/13/552650513.db2.gz YYQGGDSLVLCAIU-NSHDSACASA-N 0 3 355.338 1.289 20 5 FDBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)O1 ZINC000596156405 552660791 /nfs/dbraw/zinc/66/07/91/552660791.db2.gz PDHRSDCZSRAFTE-STQMWFEESA-N 0 3 350.419 1.995 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596470191 552682079 /nfs/dbraw/zinc/68/20/79/552682079.db2.gz STDCCKNQXRQEOZ-UHFFFAOYSA-N 0 3 357.414 1.970 20 5 FDBDHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000596817644 552713935 /nfs/dbraw/zinc/71/39/35/552713935.db2.gz PBFAODUIQWOUEK-OAHLLOKOSA-N 0 3 371.397 1.300 20 5 FDBDHN COc1cc(CN(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000597206454 552760161 /nfs/dbraw/zinc/76/01/61/552760161.db2.gz RWLWNJWKRWUHPS-UHFFFAOYSA-N 0 3 368.434 1.064 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598189196 552874141 /nfs/dbraw/zinc/87/41/41/552874141.db2.gz YTAVCGGIBFZTQJ-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000598535952 552906797 /nfs/dbraw/zinc/90/67/97/552906797.db2.gz MGGCTPYWAKDFAY-CQSZACIVSA-N 0 3 350.419 1.649 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCN1 ZINC000598572866 552910352 /nfs/dbraw/zinc/91/03/52/552910352.db2.gz MBNNKCDTVWAZMJ-ZDUSSCGKSA-N 0 3 374.397 1.318 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897530 552940785 /nfs/dbraw/zinc/94/07/85/552940785.db2.gz GKUDXNZAZWSPPK-OAHLLOKOSA-N 0 3 363.418 1.707 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598908327 552943381 /nfs/dbraw/zinc/94/33/81/552943381.db2.gz HILZDCCVHPUODF-AWEZNQCLSA-N 0 3 363.418 1.705 20 5 FDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598992204 552954948 /nfs/dbraw/zinc/95/49/48/552954948.db2.gz XZRJHIKHMCFKIA-UYWPIULCSA-N 0 3 365.397 1.914 20 5 FDBDHN COc1cc(CNCCCN2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000598991471 552955033 /nfs/dbraw/zinc/95/50/33/552955033.db2.gz ZMUXIJMGKNRENY-ZDUSSCGKSA-N 0 3 366.418 1.041 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN1C1CCCCC1 ZINC000599009018 552957661 /nfs/dbraw/zinc/95/76/61/552957661.db2.gz XMWLWCTYVZOIPP-AWEZNQCLSA-N 0 3 350.423 1.498 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000599069703 552964588 /nfs/dbraw/zinc/96/45/88/552964588.db2.gz IQJCNDGIQNVMKI-DOMZBBRYSA-N 0 3 365.397 1.888 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599708832 553127088 /nfs/dbraw/zinc/12/70/88/553127088.db2.gz NWQUBFCFQGMQSC-CYBMUJFWSA-N 0 3 360.208 1.400 20 5 FDBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599937105 553177828 /nfs/dbraw/zinc/17/78/28/553177828.db2.gz DGVVPXJJJWMKAR-RYUDHWBXSA-N 0 3 371.340 1.477 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599967504 553188589 /nfs/dbraw/zinc/18/85/89/553188589.db2.gz ZAMMZBYXBUXICP-ZBEGNZNMSA-N 0 3 359.361 1.696 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600061250 553210631 /nfs/dbraw/zinc/21/06/31/553210631.db2.gz CUJPUQCWFKBZRS-HNNXBMFYSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600131546 553223505 /nfs/dbraw/zinc/22/35/05/553223505.db2.gz DSMGJXFRCWYIQJ-JTQLQIEISA-N 0 3 363.386 1.897 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](n1cccn1)C(F)(F)F ZINC000600749278 553310847 /nfs/dbraw/zinc/31/08/47/553310847.db2.gz WOSLFBGJHNHXQJ-BXUZGUMPSA-N 0 3 374.319 1.924 20 5 FDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601157613 553353809 /nfs/dbraw/zinc/35/38/09/553353809.db2.gz BMZIWBUAUGGSCN-GFCCVEGCSA-N 0 3 350.394 1.632 20 5 FDBDHN Cn1ccnc1C(=O)c1ccc(N2C[C@H]3CCN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000601185546 553357514 /nfs/dbraw/zinc/35/75/14/553357514.db2.gz XGLPBVHWIFQAJV-CABCVRRESA-N 0 3 369.425 1.947 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000601520568 553427274 /nfs/dbraw/zinc/42/72/74/553427274.db2.gz MKGLHOLPJCZKDI-UHFFFAOYSA-N 0 3 362.411 1.891 20 5 FDBDHN CO[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000602476703 553589891 /nfs/dbraw/zinc/58/98/91/553589891.db2.gz YLBMMCPQFPKOOV-ZBFHGGJFSA-N 0 3 350.419 1.918 20 5 FDBDHN CC(=O)N1CCN(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602516298 553596693 /nfs/dbraw/zinc/59/66/93/553596693.db2.gz XVKGPJCLRUDHCF-UHFFFAOYSA-N 0 3 374.363 1.867 20 5 FDBDHN Cn1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])n1 ZINC000602698513 553624027 /nfs/dbraw/zinc/62/40/27/553624027.db2.gz LUHJUIYZJACQAP-QZTJIDSGSA-N 0 3 371.441 1.804 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000602852869 553651407 /nfs/dbraw/zinc/65/14/07/553651407.db2.gz SSYGBMFIOXVJOO-INIZCTEOSA-N 0 3 357.414 1.738 20 5 FDBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873480 553656554 /nfs/dbraw/zinc/65/65/54/553656554.db2.gz JHCCUDMLRCSFIQ-WBVHZDCISA-N 0 3 351.447 1.997 20 5 FDBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC(CO)CO)cc1 ZINC000610271310 554485741 /nfs/dbraw/zinc/48/57/41/554485741.db2.gz WGIGBXKGYGSKKB-UHFFFAOYSA-N 0 3 368.393 1.890 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922253 554581490 /nfs/dbraw/zinc/58/14/90/554581490.db2.gz ATZRSVAUOZRMCN-RYUDHWBXSA-N 0 3 351.407 1.113 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(O)cc2)c1 ZINC000611526475 554641850 /nfs/dbraw/zinc/64/18/50/554641850.db2.gz PRGPHHKZYBLVFH-UHFFFAOYSA-N 0 3 351.384 1.369 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712885 554669973 /nfs/dbraw/zinc/66/99/73/554669973.db2.gz RWJYAVHNMIXUOG-INIZCTEOSA-N 0 3 370.413 1.457 20 5 FDBDHN C[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617716956 555492964 /nfs/dbraw/zinc/49/29/64/555492964.db2.gz BHAOXVUZAQHMRL-GUYCJALGSA-N 0 3 374.441 1.639 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618285159 555604149 /nfs/dbraw/zinc/60/41/49/555604149.db2.gz HCCHLUJRSFRYIZ-MRXNPFEDSA-N 0 3 372.429 1.210 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000619255450 555745750 /nfs/dbraw/zinc/74/57/50/555745750.db2.gz ZTGSJMAAOJWROW-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000619475995 555783699 /nfs/dbraw/zinc/78/36/99/555783699.db2.gz PUNRHNKVMHKEDO-NSHDSACASA-N 0 3 355.416 1.366 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871693 555846629 /nfs/dbraw/zinc/84/66/29/555846629.db2.gz UFYFOHIQQJJYIO-ZDUSSCGKSA-N 0 3 373.413 1.798 20 5 FDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824606635 608460856 /nfs/dbraw/zinc/46/08/56/608460856.db2.gz QWGLDZZMQKXBOT-NSHDSACASA-N 0 3 355.358 1.287 20 5 FDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824606635 608460857 /nfs/dbraw/zinc/46/08/57/608460857.db2.gz QWGLDZZMQKXBOT-NSHDSACASA-N 0 3 355.358 1.287 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CCN(CC3CC3)CC2)cc1 ZINC000193959989 672376472 /nfs/dbraw/zinc/37/64/72/672376472.db2.gz QOEVIUIKTUXPCR-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)CN1CCCCC1 ZINC000288601113 676027794 /nfs/dbraw/zinc/02/77/94/676027794.db2.gz TXXUKFJKWULJMC-ZDUSSCGKSA-N 0 3 355.822 1.754 20 5 FDBDHN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCNCC1 ZINC000262003748 672710201 /nfs/dbraw/zinc/71/02/01/672710201.db2.gz UJGQLWNDTCYNKJ-AWEZNQCLSA-N 0 3 366.849 1.892 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292102969 676283573 /nfs/dbraw/zinc/28/35/73/676283573.db2.gz UOHGCHVCZCAFRC-INIZCTEOSA-N 0 3 353.444 1.874 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000371685788 677757385 /nfs/dbraw/zinc/75/73/85/677757385.db2.gz ORSRJFLCSWVTJA-IINYFYTJSA-N 0 3 366.805 1.739 20 5 FDBDHN COC(=O)[C@H]1CSCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412085304 679153927 /nfs/dbraw/zinc/15/39/27/679153927.db2.gz UKEKKFGTWGTKGP-CHWSQXEVSA-N 0 3 370.427 1.173 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCO[C@@H](CN(C)C)C2)c1F ZINC000412129052 679160045 /nfs/dbraw/zinc/16/00/45/679160045.db2.gz JOGCOTDTXGBZAS-NSHDSACASA-N 0 3 355.366 1.074 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000473987446 685354790 /nfs/dbraw/zinc/35/47/90/685354790.db2.gz NFJJIVWVXLVBKF-CXAGYDPISA-N 0 3 350.371 1.804 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000435800929 681636825 /nfs/dbraw/zinc/63/68/25/681636825.db2.gz UMPBRDFFIXOGQI-LSDHHAIUSA-N 0 3 353.444 1.786 20 5 FDBDHN COC(=O)COc1ccc(CN(C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475690744 685627259 /nfs/dbraw/zinc/62/72/59/685627259.db2.gz FRLYJEDPNAWHMW-OAHLLOKOSA-N 0 3 354.403 1.985 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000498923590 687880091 /nfs/dbraw/zinc/88/00/91/687880091.db2.gz QDWRYCWMOYUEBW-QWHCGFSZSA-N 0 3 350.419 1.956 20 5 FDBDHN COC(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000515234154 689831350 /nfs/dbraw/zinc/83/13/50/689831350.db2.gz CSXZIOVJPCXVJR-GFCCVEGCSA-N 0 3 366.395 1.972 20 5 FDBDHN Nc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164865449 721102562 /nfs/dbraw/zinc/10/25/62/721102562.db2.gz LJOYIJYWTJYKOZ-LSDHHAIUSA-N 0 3 370.413 1.447 20 5 FDBDHN O=C(CCN1CCc2n[nH]c(=O)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275626643 772840459 /nfs/dbraw/zinc/84/04/59/772840459.db2.gz PLESWMZFWQGKBJ-UHFFFAOYSA-N 0 3 361.333 1.204 20 5 FDBDHN CC(C)(CN1CCOCC1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411998116 785515363 /nfs/dbraw/zinc/51/53/63/785515363.db2.gz LGNSRLHMUFPGQN-UHFFFAOYSA-N 0 3 362.430 1.184 20 5 FDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000255903633 787685209 /nfs/dbraw/zinc/68/52/09/787685209.db2.gz ZCBYOVZYEIMRSS-YVMONPNESA-N 0 3 372.425 1.375 20 5 FDBDHN CCN1CCN(CCNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412286382 793031334 /nfs/dbraw/zinc/03/13/34/793031334.db2.gz IMTPQKQUTWGIIC-UHFFFAOYSA-N 0 3 368.409 1.039 20 5 FDBDHN COc1cccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000290582546 793519079 /nfs/dbraw/zinc/51/90/79/793519079.db2.gz VYPZQIOOGYZAAL-AWEZNQCLSA-N 0 3 359.386 1.812 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000366906141 814117099 /nfs/dbraw/zinc/11/70/99/814117099.db2.gz XKHONCKAEDJGQZ-ZIAGYGMSSA-N 0 3 364.402 1.978 20 5 FDBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000514872698 816021918 /nfs/dbraw/zinc/02/19/18/816021918.db2.gz RUNIQWOGHJGVRG-UHFFFAOYSA-N 0 3 369.385 1.730 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(OC3CCCC3)c2)c1 ZINC000519545727 818083668 /nfs/dbraw/zinc/08/36/68/818083668.db2.gz VSKDKOXTNDTEII-OAHLLOKOSA-N 0 3 361.402 1.658 20 5 FDBDHN CC(C)c1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000983656551 818429025 /nfs/dbraw/zinc/42/90/25/818429025.db2.gz DYTNDXPSUOPXHS-DDHJBXDOSA-N 0 3 353.448 1.311 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000521356081 821227058 /nfs/dbraw/zinc/22/70/58/821227058.db2.gz LUGQIKBYZMAYKE-UHFFFAOYSA-N 0 3 367.450 1.890 20 5 FDBDHN Cn1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281171494 825900826 /nfs/dbraw/zinc/90/08/26/825900826.db2.gz GYJQTMKEZNAHQY-ZBFHGGJFSA-N 0 3 371.397 1.926 20 5 FDBDHN Cn1ccnc1C(=O)c1ccc(N2C[C@H]3CN(C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896915429 826504189 /nfs/dbraw/zinc/50/41/89/826504189.db2.gz XYGKKDGDPBVVTA-KUHUBIRLSA-N 0 3 369.425 1.947 20 5 FDBDHN CN(Cc1nc2c(o1)CCCC2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430424 827801451 /nfs/dbraw/zinc/80/14/51/827801451.db2.gz BIBQYKSJKWKMGC-UKRRQHHQSA-N 0 3 362.430 1.641 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450395931 829943934 /nfs/dbraw/zinc/94/39/34/829943934.db2.gz UXXYSUGGUYBGJS-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN CC(=O)[C@@](C)(O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450738126 830087448 /nfs/dbraw/zinc/08/74/48/830087448.db2.gz NKHOASPMCPJUSX-KRWDZBQOSA-N 0 3 361.402 1.323 20 5 FDBDHN O=C1CC[C@H](N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)CCN1 ZINC000451913783 830468918 /nfs/dbraw/zinc/46/89/18/830468918.db2.gz CBKKXJSNCIZSHT-LBPRGKRZSA-N 0 3 368.384 1.659 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)CC1 ZINC000477918334 843460454 /nfs/dbraw/zinc/46/04/54/843460454.db2.gz INHPWCFILJITEB-UHFFFAOYSA-N 0 3 358.402 1.723 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000899923567 846879025 /nfs/dbraw/zinc/87/90/25/846879025.db2.gz INPVMEAEUNNANL-HOTGVXAUSA-N 0 3 370.413 1.543 20 5 FDBDHN CC(C)CCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105706954 856007744 /nfs/dbraw/zinc/00/77/44/856007744.db2.gz GLQCXIKPFRAIJU-IAGOWNOFSA-N 0 3 353.463 1.780 20 5 FDBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3nnnn3-c3ccccc3)CC2)n1 ZINC000488984534 859016927 /nfs/dbraw/zinc/01/69/27/859016927.db2.gz QMGJLEUYKCSXCP-UHFFFAOYSA-N 0 3 368.401 1.647 20 5 FDBDHN CN1CCC(N(CCO)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000911936627 859163107 /nfs/dbraw/zinc/16/31/07/859163107.db2.gz JROMVUKAJRVILS-UHFFFAOYSA-N 0 3 355.366 1.028 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000489150429 859325514 /nfs/dbraw/zinc/32/55/14/859325514.db2.gz BWQLETMUOFPAFY-UHFFFAOYSA-N 0 3 364.446 1.589 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCOCC1 ZINC000921680942 912548678 /nfs/dbraw/zinc/54/86/78/912548678.db2.gz OWSHRWVAPMGFIO-QGZVFWFLSA-N 0 3 362.430 1.690 20 5 FDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cc(CO)ccc2F)CC1 ZINC001005384238 883143796 /nfs/dbraw/zinc/14/37/96/883143796.db2.gz ZNCJIIKFAQPBBC-NVXWUHKLSA-N 0 3 365.405 1.406 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000918360449 884368757 /nfs/dbraw/zinc/36/87/57/884368757.db2.gz SAYPQRFDCOEWSH-IAGOWNOFSA-N 0 3 367.471 1.741 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000498513274 885132668 /nfs/dbraw/zinc/13/26/68/885132668.db2.gz XYTMSAAPGZEUIF-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000498736363 885666611 /nfs/dbraw/zinc/66/66/11/885666611.db2.gz KVJKAJPLTODXRN-CHWSQXEVSA-N 0 3 364.402 1.345 20 5 FDBDHN CS[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000765267086 906668597 /nfs/dbraw/zinc/66/85/97/906668597.db2.gz BZCHYFPGBNOVIV-HUUCEWRRSA-N 0 3 363.443 1.449 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2nc(C3CCC3)no2)CC1 ZINC000997773269 909665159 /nfs/dbraw/zinc/66/51/59/909665159.db2.gz VRRWVTWHDBNMIG-ZIAGYGMSSA-N 0 3 363.418 1.331 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000273189490 911185384 /nfs/dbraw/zinc/18/53/84/911185384.db2.gz MUMSWJLKUZZEJN-UHFFFAOYSA-N 0 3 363.370 1.887 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CCOCC2)CC1 ZINC000736299798 924815524 /nfs/dbraw/zinc/81/55/24/924815524.db2.gz VVEVCVLWKNQRGH-UHFFFAOYSA-N 0 3 362.430 1.503 20 5 FDBDHN CC(C)(C)OC(=O)NCCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011317 928220814 /nfs/dbraw/zinc/22/08/14/928220814.db2.gz JTNXRECPFOKHAD-HUUCEWRRSA-N 0 3 356.467 1.574 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000788960990 932890626 /nfs/dbraw/zinc/89/06/26/932890626.db2.gz OVQQYGPGYHJPSV-CYBMUJFWSA-N 0 3 350.327 1.563 20 5 FDBDHN Cn1c2cc(NC[C@@H]3CN4CCC[C@@H]4CO3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804397446 938422881 /nfs/dbraw/zinc/42/28/81/938422881.db2.gz XZVNCVPGIYAKIA-VXGBXAGGSA-N 0 3 361.402 1.060 20 5 FDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000747215884 938581331 /nfs/dbraw/zinc/58/13/31/938581331.db2.gz JMCABRHWYWLWFO-UHFFFAOYSA-N 0 3 362.430 1.486 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000822880292 945282365 /nfs/dbraw/zinc/28/23/65/945282365.db2.gz ZYSREEBBKBRMOL-CABCVRRESA-N 0 3 371.397 1.578 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103271 941326242 /nfs/dbraw/zinc/32/62/42/941326242.db2.gz ZPWURKFEELVMEA-GFCCVEGCSA-N 0 3 358.416 1.848 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000813109991 941334256 /nfs/dbraw/zinc/33/42/56/941334256.db2.gz YFXJOGXHCXNDIX-JTQLQIEISA-N 0 3 374.415 1.594 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)[N+](=O)[O-] ZINC000813109142 941334577 /nfs/dbraw/zinc/33/45/77/941334577.db2.gz ONBUGLBAKKGGAJ-LLVKDONJSA-N 0 3 356.400 1.730 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[N+](=O)[O-] ZINC000813115269 941336859 /nfs/dbraw/zinc/33/68/59/941336859.db2.gz OADJDIWKSMIBFH-RKDXNWHRSA-N 0 3 357.344 1.469 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815703823 941945777 /nfs/dbraw/zinc/94/57/77/941945777.db2.gz NRRKNWJALDAVLK-NOZJJQNGSA-N 0 3 352.778 1.349 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)[C@H]2C1 ZINC000816950275 942398046 /nfs/dbraw/zinc/39/80/46/942398046.db2.gz PCJUUBMZOJNPFN-DYVFJYSZSA-N 0 3 360.414 1.208 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817400975 942758735 /nfs/dbraw/zinc/75/87/35/942758735.db2.gz GRCBBMKELWUNRZ-NSHDSACASA-N 0 3 354.794 1.739 20 5 FDBDHN CC(C)(C)S(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819060999 943400201 /nfs/dbraw/zinc/40/02/01/943400201.db2.gz MYSCOYGUYOAZOJ-CYBMUJFWSA-N 0 3 360.432 1.137 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000823561100 945848029 /nfs/dbraw/zinc/84/80/29/945848029.db2.gz HZTKELWNBOFEMW-GFCCVEGCSA-N 0 3 366.393 1.245 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635064 946459622 /nfs/dbraw/zinc/45/96/22/946459622.db2.gz QPYCBRRGQHPAHL-MRXNPFEDSA-N 0 3 370.369 1.477 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000825224123 947059046 /nfs/dbraw/zinc/05/90/46/947059046.db2.gz SQKXIZYQMKWCQC-UHFFFAOYSA-N 0 3 368.459 1.409 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000844035997 947636438 /nfs/dbraw/zinc/63/64/38/947636438.db2.gz PMNVFASOCPRFBG-LLVKDONJSA-N 0 3 370.356 1.265 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000845630579 949714145 /nfs/dbraw/zinc/71/41/45/949714145.db2.gz KTLNTIHZYGXVNL-UHFFFAOYSA-N 0 3 360.336 1.824 20 5 FDBDHN CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695553 962585062 /nfs/dbraw/zinc/58/50/62/962585062.db2.gz GONUOCLCHFHIEA-AWEZNQCLSA-N 0 3 369.443 1.469 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N[C@H]2COC[C@@H]2F)CC1 ZINC001173694929 962585845 /nfs/dbraw/zinc/58/58/45/962585845.db2.gz DPZISANVAWYULV-STQMWFEESA-N 0 3 373.406 1.074 20 5 FDBDHN CCC1(CC)CNC(=O)[C@@H]1NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001176453287 963449376 /nfs/dbraw/zinc/44/93/76/963449376.db2.gz RJWCWYJKWCBPPG-HNNXBMFYSA-N 0 3 351.403 1.877 20 5 FDBDHN Cc1nnc(CN2CCC3(CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)o1 ZINC000957548062 1013437845 /nfs/dbraw/zinc/43/78/45/1013437845.db2.gz YRHLXESNDZXIII-ZIAGYGMSSA-N 0 3 363.418 1.248 20 5 FDBDHN CC(C)(C)c1nnc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001178450165 964222880 /nfs/dbraw/zinc/22/28/80/964222880.db2.gz VJMKESZFVBVBBW-CHWSQXEVSA-N 0 3 367.450 1.799 20 5 FDBDHN CC(C)(C)c1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458808 964244492 /nfs/dbraw/zinc/24/44/92/964244492.db2.gz ZFRCWTBDLYRCBX-CHWSQXEVSA-N 0 3 367.450 1.799 20 5 FDBDHN O=C(NCCCCCCNCc1nc(C2CCC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001178463736 964246452 /nfs/dbraw/zinc/24/64/52/964246452.db2.gz JXJGHRYOSZJHQG-ZIAGYGMSSA-N 0 3 365.434 1.769 20 5 FDBDHN COC(=O)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776582845 967137168 /nfs/dbraw/zinc/13/71/68/967137168.db2.gz CLRBLQLNTKELPK-HOTGVXAUSA-N 0 3 352.387 1.672 20 5 FDBDHN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCN1CC(C)(C)O ZINC000853509233 968064516 /nfs/dbraw/zinc/06/45/16/968064516.db2.gz XHECWWGBCBCGJA-CQSZACIVSA-N 0 3 374.445 1.588 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855694902 970618404 /nfs/dbraw/zinc/61/84/04/970618404.db2.gz CLYIWVLFBWDBQO-UHFFFAOYSA-N 0 3 372.372 1.165 20 5 FDBDHN CC(C)[C@@H]1CN(C)CCN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794633176 973493793 /nfs/dbraw/zinc/49/37/93/973493793.db2.gz MSCNLEBTLPEHET-HNNXBMFYSA-N 0 3 361.402 1.641 20 5 FDBDHN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CC[C@@H](N2CC=CC2)C1 ZINC000794633452 973495441 /nfs/dbraw/zinc/49/54/41/973495441.db2.gz OJAACHYDEDGKEB-CYBMUJFWSA-N 0 3 357.370 1.315 20 5 FDBDHN CC(C)c1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000865801219 974504810 /nfs/dbraw/zinc/50/48/10/974504810.db2.gz RLXRBBQIHGMURL-GOSISDBHSA-N 0 3 363.414 1.436 20 5 FDBDHN CN1CCN(C2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)CC1 ZINC000866213174 975490296 /nfs/dbraw/zinc/49/02/96/975490296.db2.gz MYCCIGRJMCFPCQ-UHFFFAOYSA-N 0 3 372.429 1.460 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000849591021 977797930 /nfs/dbraw/zinc/79/79/30/977797930.db2.gz BMBDJGNJHSZFMN-KBPBESRZSA-N 0 3 358.402 1.585 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000850593581 978455094 /nfs/dbraw/zinc/45/50/94/978455094.db2.gz XDAIKSVFGLOXDT-RKDXNWHRSA-N 0 3 351.787 1.616 20 5 FDBDHN Cc1ccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000869053481 984790497 /nfs/dbraw/zinc/79/04/97/984790497.db2.gz ASSFQDHOIYQOCI-CYBMUJFWSA-N 0 3 363.418 1.165 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000363209633 988996463 /nfs/dbraw/zinc/99/64/63/988996463.db2.gz RYSDUDMTEITESQ-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1cc(C2=CCN(CCCN3C(=O)CNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000369907047 989290532 /nfs/dbraw/zinc/29/05/32/989290532.db2.gz VEYVJGRHVIYGBF-UHFFFAOYSA-N 0 3 373.413 1.516 20 5 FDBDHN CCN1CCc2c(cccc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000370816088 990008076 /nfs/dbraw/zinc/00/80/76/990008076.db2.gz IOEPVJGEXXEZDY-UHFFFAOYSA-N 0 3 356.382 1.773 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000371358410 990380766 /nfs/dbraw/zinc/38/07/66/990380766.db2.gz AMKIHTSLQUZVBA-DYVFJYSZSA-N 0 3 364.421 1.832 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000371500177 990480496 /nfs/dbraw/zinc/48/04/96/990480496.db2.gz LSLUDDAPCYKPQC-VXGBXAGGSA-N 0 3 371.340 1.789 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000876471071 992627849 /nfs/dbraw/zinc/62/78/49/992627849.db2.gz AROPZPJJZKNXAQ-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000876551342 992700771 /nfs/dbraw/zinc/70/07/71/992700771.db2.gz OWSYADIECJLVOJ-SFHVURJKSA-N 0 3 362.430 1.402 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000467041775 993256821 /nfs/dbraw/zinc/25/68/21/993256821.db2.gz XMTJUSFBNWPKBF-MKBNYLNASA-N 0 3 360.414 1.312 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468696488 993608230 /nfs/dbraw/zinc/60/82/30/993608230.db2.gz WKMGOTGJZVZKMK-PXAZEXFGSA-N 0 3 360.414 1.850 20 5 FDBDHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925247796 995427535 /nfs/dbraw/zinc/42/75/35/995427535.db2.gz CIOKPEKSKNOSHO-CYBMUJFWSA-N 0 3 365.434 1.317 20 5 FDBDHN CN(C)CCN(C)C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000826604639 998107920 /nfs/dbraw/zinc/10/79/20/998107920.db2.gz QPQHQCMKXJUOQS-UHFFFAOYSA-N 0 3 356.329 1.053 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889751302 998592185 /nfs/dbraw/zinc/59/21/85/998592185.db2.gz SNEILBXYKIFLPO-GJZGRUSLSA-N 0 3 351.378 1.334 20 5 FDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889757966 998609362 /nfs/dbraw/zinc/60/93/62/998609362.db2.gz ZEWIEQUYKWLXPJ-IAGOWNOFSA-N 0 3 363.414 1.340 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889778685 998650056 /nfs/dbraw/zinc/65/00/56/998650056.db2.gz BERYBDGSRPYRIC-IRXDYDNUSA-N 0 3 374.441 1.840 20 5 FDBDHN CN(C)CCn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1=O ZINC000270236165 999528808 /nfs/dbraw/zinc/52/88/08/999528808.db2.gz OMXMETLOFLWIQY-UHFFFAOYSA-N 0 3 360.370 1.336 20 5 FDBDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271129821 999665364 /nfs/dbraw/zinc/66/53/64/999665364.db2.gz MQYVSJCRPQAFST-LBPRGKRZSA-N 0 3 367.406 1.198 20 5 FDBDHN C[C@H](c1ccccc1)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292262022 1000224209 /nfs/dbraw/zinc/22/42/09/1000224209.db2.gz ROGDGIMDASWNLS-QBIMZIAESA-N 0 3 373.409 1.582 20 5 FDBDHN CS(=O)(=O)N1CC(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000930636386 1003350393 /nfs/dbraw/zinc/35/03/93/1003350393.db2.gz GMWMHXDJCSISML-OAHLLOKOSA-N 0 3 353.444 1.666 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000931187229 1003945581 /nfs/dbraw/zinc/94/55/81/1003945581.db2.gz QWSOAIGNQJASHL-QWHCGFSZSA-N 0 3 351.428 1.910 20 5 FDBDHN CN1CCN(C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000933992595 1005673955 /nfs/dbraw/zinc/67/39/55/1005673955.db2.gz MZVFBHVFQLYJTO-UHFFFAOYSA-N 0 3 359.430 1.929 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194742630 178222894 /nfs/dbraw/zinc/22/28/94/178222894.db2.gz HBYDRPCRFQWZBH-AWEZNQCLSA-N 0 3 355.398 1.824 20 5 FDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000237816711 178331623 /nfs/dbraw/zinc/33/16/23/178331623.db2.gz KSTOUNJWUHJMAN-SNVBAGLBSA-N 0 3 353.322 1.629 20 5 FDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000512850012 538982190 /nfs/dbraw/zinc/98/21/90/538982190.db2.gz HAYJKNYNRZTRLG-IUODEOHRSA-N 0 3 359.423 1.932 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000517008751 539339077 /nfs/dbraw/zinc/33/90/77/539339077.db2.gz QAFQZUTWNUPENA-SMDDNHRTSA-N 0 3 352.778 1.919 20 5 FDBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262764785 178795583 /nfs/dbraw/zinc/79/55/83/178795583.db2.gz SYTTYCMQDHSMJN-WDEREUQCSA-N 0 3 371.415 1.162 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264472265 179117028 /nfs/dbraw/zinc/11/70/28/179117028.db2.gz LPWQNLWLIMDIOW-AWEZNQCLSA-N 0 3 360.414 1.929 20 5 FDBDHN Cc1c(C(=O)NC[C@@H]2CCN(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264591481 179142324 /nfs/dbraw/zinc/14/23/24/179142324.db2.gz AGQIZKNSGVFYRI-ZDUSSCGKSA-N 0 3 370.413 1.698 20 5 FDBDHN COc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264622771 179151225 /nfs/dbraw/zinc/15/12/25/179151225.db2.gz LNNLIENEYDNAGB-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN COC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000269041120 180203557 /nfs/dbraw/zinc/20/35/57/180203557.db2.gz IUMYKTXRCPGCJI-UHFFFAOYSA-N 0 3 365.386 1.260 20 5 FDBDHN O=C(COc1ccccc1CNCCn1cc([N+](=O)[O-])cn1)NCC1CC1 ZINC000269164384 180231208 /nfs/dbraw/zinc/23/12/08/180231208.db2.gz WAKKUGKPZQUVEQ-UHFFFAOYSA-N 0 3 373.413 1.486 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531629819 540108855 /nfs/dbraw/zinc/10/88/55/540108855.db2.gz HOYQHWADEGCESA-UHFFFAOYSA-N 0 3 370.413 1.327 20 5 FDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1CCN(C2CC2)C1 ZINC000540726465 541092483 /nfs/dbraw/zinc/09/24/83/541092483.db2.gz WUWCBIQBTKGPRI-OAHLLOKOSA-N 0 3 374.441 1.740 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000542067992 541328665 /nfs/dbraw/zinc/32/86/65/541328665.db2.gz BLOMAUKMQZZTNH-CYBMUJFWSA-N 0 3 362.386 1.239 20 5 FDBDHN COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000282862319 182067714 /nfs/dbraw/zinc/06/77/14/182067714.db2.gz QLVMHSQKUSJTTR-PXAZEXFGSA-N 0 3 366.414 1.966 20 5 FDBDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000283652175 182241837 /nfs/dbraw/zinc/24/18/37/182241837.db2.gz DIAMGDNXWZQAFJ-YCPHGPKFSA-N 0 3 358.402 1.206 20 5 FDBDHN COC(=O)c1cc(C)nc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000286451518 183069836 /nfs/dbraw/zinc/06/98/36/183069836.db2.gz RNGPXZROGDDEGT-UHFFFAOYSA-N 0 3 352.391 1.344 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286501464 183083075 /nfs/dbraw/zinc/08/30/75/183083075.db2.gz YGTMGSMWIKICKS-NWDGAFQWSA-N 0 3 354.432 1.305 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000286915160 183172243 /nfs/dbraw/zinc/17/22/43/183172243.db2.gz HYCBQVQBCLWTFR-JTQLQIEISA-N 0 3 364.431 1.554 20 5 FDBDHN CN(C)CCOc1cccc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)c1 ZINC000547085592 542276348 /nfs/dbraw/zinc/27/63/48/542276348.db2.gz XKTPPJWHWHOXNY-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN COC(=O)Cc1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295581252 184085219 /nfs/dbraw/zinc/08/52/19/184085219.db2.gz SBKZGKPVHPDMBB-UHFFFAOYSA-N 0 3 351.403 1.569 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295602739 184087243 /nfs/dbraw/zinc/08/72/43/184087243.db2.gz UOGCIZYVUUXMMU-TZMCWYRMSA-N 0 3 357.407 1.860 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CCS(=O)(=O)C1 ZINC000296520322 184174478 /nfs/dbraw/zinc/17/44/78/184174478.db2.gz PXLPNWFNNGPLRE-IUODEOHRSA-N 0 3 374.484 1.605 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548091594 542553099 /nfs/dbraw/zinc/55/30/99/542553099.db2.gz LPRMNKSAHKYATB-UHFFFAOYSA-N 0 3 359.386 1.205 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000172601450 258280162 /nfs/dbraw/zinc/28/01/62/258280162.db2.gz GIMULVWXPXRSDT-AAEUAGOBSA-N 0 3 369.443 1.411 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000548188270 542578411 /nfs/dbraw/zinc/57/84/11/542578411.db2.gz BBTBGMAIVGQGQY-KBPBESRZSA-N 0 3 368.434 1.968 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548745229 542769589 /nfs/dbraw/zinc/76/95/89/542769589.db2.gz MBZYYDOVDUVIOP-WFASDCNBSA-N 0 3 355.398 1.822 20 5 FDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000549901304 542963075 /nfs/dbraw/zinc/96/30/75/542963075.db2.gz XTYHCLVTNMWDHA-INIZCTEOSA-N 0 3 353.444 1.842 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC000067274344 172008713 /nfs/dbraw/zinc/00/87/13/172008713.db2.gz WKYQUKMBJDFERE-OAHLLOKOSA-N 0 3 356.386 1.486 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000112918232 172594590 /nfs/dbraw/zinc/59/45/90/172594590.db2.gz MDBLLBDKIQVTBL-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN Cc1c(NC(=O)CCN(C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000114190643 172619919 /nfs/dbraw/zinc/61/99/19/172619919.db2.gz XZIIMRKQFCITHA-UHFFFAOYSA-N 0 3 350.419 1.496 20 5 FDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000117803275 172703829 /nfs/dbraw/zinc/70/38/29/172703829.db2.gz CLXOANYZSRGKLT-ZDUSSCGKSA-N 0 3 368.865 1.790 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187330 173827722 /nfs/dbraw/zinc/82/77/22/173827722.db2.gz TXWUBFZOXQXETN-ZBFHGGJFSA-N 0 3 355.398 1.573 20 5 FDBDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175424891 174005469 /nfs/dbraw/zinc/00/54/69/174005469.db2.gz HCLHJSJSGFHOAS-ZIBDJOFNSA-N 0 3 366.443 1.583 20 5 FDBDHN NC(=O)c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000181144072 174209003 /nfs/dbraw/zinc/20/90/03/174209003.db2.gz FGLUDFFBROYGPE-MRXNPFEDSA-N 0 3 370.409 1.872 20 5 FDBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000278994249 258525672 /nfs/dbraw/zinc/52/56/72/258525672.db2.gz BUXDNJOCYOPEME-LSDHHAIUSA-N 0 3 367.402 1.716 20 5 FDBDHN COC(=O)c1cnc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000276666349 258468919 /nfs/dbraw/zinc/46/89/19/258468919.db2.gz DFFMEXSTKNXWPT-KBPBESRZSA-N 0 3 366.443 1.792 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H](N2CC=CC2)C1 ZINC000278801952 258513954 /nfs/dbraw/zinc/51/39/54/258513954.db2.gz XTTIPIHEHHNCFZ-ZDUSSCGKSA-N 0 3 356.386 1.627 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000279503102 258561178 /nfs/dbraw/zinc/56/11/78/258561178.db2.gz MUBKPOMJMQCHKC-AWEZNQCLSA-N 0 3 362.430 1.990 20 5 FDBDHN CNc1nccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000553543573 543655340 /nfs/dbraw/zinc/65/53/40/543655340.db2.gz KFJQKKAUIBGTBR-UHFFFAOYSA-N 0 3 370.413 2.073 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000554784924 543871150 /nfs/dbraw/zinc/87/11/50/543871150.db2.gz QEJHUQKMQQYLFW-NSHDSACASA-N 0 3 355.416 1.070 20 5 FDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000555404687 543952491 /nfs/dbraw/zinc/95/24/91/543952491.db2.gz BGIVILQSLZMDRE-KRWDZBQOSA-N 0 3 367.471 1.885 20 5 FDBDHN Cc1c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000555534485 543967098 /nfs/dbraw/zinc/96/70/98/543967098.db2.gz PGERZPLVSRHRSC-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000301933859 259036110 /nfs/dbraw/zinc/03/61/10/259036110.db2.gz NRMKWIQUEWWIKV-QJPTWQEYSA-N 0 3 371.484 1.980 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000330418362 259143909 /nfs/dbraw/zinc/14/39/09/259143909.db2.gz FJJIVFDWBMOCSN-VXGBXAGGSA-N 0 3 365.434 1.588 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330454890 259145725 /nfs/dbraw/zinc/14/57/25/259145725.db2.gz NLFASMNFDVHTOI-RYUDHWBXSA-N 0 3 359.452 1.162 20 5 FDBDHN CCCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330877426 259166800 /nfs/dbraw/zinc/16/68/00/259166800.db2.gz WMYPXEHILYERSW-KRWDZBQOSA-N 0 3 374.441 1.754 20 5 FDBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000365344998 259835046 /nfs/dbraw/zinc/83/50/46/259835046.db2.gz PUPQYMNHYGPBFX-PKOBYXMFSA-N 0 3 374.441 1.401 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172458 260005518 /nfs/dbraw/zinc/00/55/18/260005518.db2.gz XURQDZOTWFLZLF-KRWDZBQOSA-N 0 3 362.474 1.933 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622765 260069305 /nfs/dbraw/zinc/06/93/05/260069305.db2.gz JVXBOJHEQLGJLV-APWZRJJASA-N 0 3 362.474 1.588 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368630953 260212225 /nfs/dbraw/zinc/21/22/25/260212225.db2.gz FZPLZLCGFXVMPU-LBPRGKRZSA-N 0 3 359.379 1.163 20 5 FDBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368964432 260268876 /nfs/dbraw/zinc/26/88/76/260268876.db2.gz ONSDHGWEUNQWFN-GDZNZVCISA-N 0 3 360.414 1.818 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369036386 260282115 /nfs/dbraw/zinc/28/21/15/260282115.db2.gz RNJQPGUGHIPZPN-QGZVFWFLSA-N 0 3 362.386 1.806 20 5 FDBDHN O=C(CCN1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369067557 260290359 /nfs/dbraw/zinc/29/03/59/260290359.db2.gz VBADUIDIYZEKCD-OAHLLOKOSA-N 0 3 360.414 1.914 20 5 FDBDHN Cc1sc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369278270 260332095 /nfs/dbraw/zinc/33/20/95/260332095.db2.gz PZAOBYUSAZHBNO-LBPRGKRZSA-N 0 3 352.460 1.863 20 5 FDBDHN CN(C(=O)[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000369511012 260380500 /nfs/dbraw/zinc/38/05/00/260380500.db2.gz SASFNJNQBPFJDK-INIZCTEOSA-N 0 3 374.441 1.479 20 5 FDBDHN COC(=O)[C@]12CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373800632 261041750 /nfs/dbraw/zinc/04/17/50/261041750.db2.gz ZYGAMSRSMUVLJR-SUMWQHHRSA-N 0 3 350.371 1.485 20 5 FDBDHN C[C@@]1(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000374111794 261080122 /nfs/dbraw/zinc/08/01/22/261080122.db2.gz UCJBLJFMZXQCPS-KRWDZBQOSA-N 0 3 362.386 1.284 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC12CCN(C)CC2 ZINC000374323828 261110686 /nfs/dbraw/zinc/11/06/86/261110686.db2.gz JLXCIPHMAOWMIR-CQSZACIVSA-N 0 3 374.441 1.800 20 5 FDBDHN C[C@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000374593390 261159239 /nfs/dbraw/zinc/15/92/39/261159239.db2.gz IXODYMWLJIEDGP-HOTGVXAUSA-N 0 3 354.428 1.916 20 5 FDBDHN CCc1nn(C)c(N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000374932569 261230395 /nfs/dbraw/zinc/23/03/95/261230395.db2.gz VZMFEZLYWTUXMC-UHFFFAOYSA-N 0 3 364.494 1.745 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCN(CCN3CCCOCC3)CC2)c(F)c1 ZINC000375335330 261315943 /nfs/dbraw/zinc/31/59/43/261315943.db2.gz KKMJXQIAKOFPNT-UHFFFAOYSA-N 0 3 366.437 1.574 20 5 FDBDHN O=C([C@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCCC1 ZINC000378402114 262018760 /nfs/dbraw/zinc/01/87/60/262018760.db2.gz LMNQKVTVFNQAKV-MRXNPFEDSA-N 0 3 361.446 1.906 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(N2CCSCC2)CCCC1 ZINC000029370351 519289283 /nfs/dbraw/zinc/28/92/83/519289283.db2.gz AFWDKHYEBUNKSJ-UHFFFAOYSA-N 0 3 353.448 1.269 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCN2CCOC)c([N+](=O)[O-])c1 ZINC000068911214 521757968 /nfs/dbraw/zinc/75/79/68/521757968.db2.gz BMGQCJBQQOKIFT-LBPRGKRZSA-N 0 3 372.447 1.026 20 5 FDBDHN CCN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000043292521 521847329 /nfs/dbraw/zinc/84/73/29/521847329.db2.gz AYFMGIPMALUFLB-UHFFFAOYSA-N 0 3 362.434 1.306 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000069526943 521901807 /nfs/dbraw/zinc/90/18/07/521901807.db2.gz MBMCTXABRMSKBI-AWEZNQCLSA-N 0 3 350.419 1.624 20 5 FDBDHN Cn1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057554823 522109380 /nfs/dbraw/zinc/10/93/80/522109380.db2.gz PQAXNEMIUSZMER-CYBMUJFWSA-N 0 3 355.398 1.962 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036574 522210449 /nfs/dbraw/zinc/21/04/49/522210449.db2.gz CUKBYVRXCMMEBX-CHWSQXEVSA-N 0 3 355.416 1.509 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn1 ZINC000061635986 522483434 /nfs/dbraw/zinc/48/34/34/522483434.db2.gz QGKPXUUQLWZFDO-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cn1 ZINC000066381983 523040929 /nfs/dbraw/zinc/04/09/29/523040929.db2.gz RSVQSEUWKMUDIP-UHFFFAOYSA-N 0 3 361.358 1.376 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(N)=O)C1CCCC1 ZINC000052826564 523276968 /nfs/dbraw/zinc/27/69/68/523276968.db2.gz RMELPQKFQUCESZ-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067300414 523382992 /nfs/dbraw/zinc/38/29/92/523382992.db2.gz DQMTZOXRCVJDCP-HNNXBMFYSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(CC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079336535 523738818 /nfs/dbraw/zinc/73/88/18/523738818.db2.gz AEEHKCGIKWVGML-UHFFFAOYSA-N 0 3 355.398 1.775 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000079502443 523760557 /nfs/dbraw/zinc/76/05/57/523760557.db2.gz KFIGWRGEAAIKSC-RBUKOAKNSA-N 0 3 374.441 1.876 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080491729 523884419 /nfs/dbraw/zinc/88/44/19/523884419.db2.gz KOYVUKORHDGNSQ-INIZCTEOSA-N 0 3 364.446 1.890 20 5 FDBDHN CN(C)CCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000080684703 523897045 /nfs/dbraw/zinc/89/70/45/523897045.db2.gz JRELMICJPKRXAK-UHFFFAOYSA-N 0 3 370.475 1.767 20 5 FDBDHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000110702454 524126154 /nfs/dbraw/zinc/12/61/54/524126154.db2.gz VZZNSYNODWAHFY-RYUDHWBXSA-N 0 3 366.443 1.423 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083027290 524231399 /nfs/dbraw/zinc/23/13/99/524231399.db2.gz OBYKSEIHCCCAAW-GASCZTMLSA-N 0 3 365.430 1.979 20 5 FDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121487947 524274449 /nfs/dbraw/zinc/27/44/49/524274449.db2.gz JECYFDROTWMTAO-LBPRGKRZSA-N 0 3 350.419 1.997 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)cc1OC ZINC000139177736 524278401 /nfs/dbraw/zinc/27/84/01/524278401.db2.gz RHKHNOIXCAKCPD-GFCCVEGCSA-N 0 3 367.402 1.453 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111599554 524307773 /nfs/dbraw/zinc/30/77/73/524307773.db2.gz RJNVNVLAZVRDQZ-ZDUSSCGKSA-N 0 3 374.397 1.277 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111617868 524311923 /nfs/dbraw/zinc/31/19/23/524311923.db2.gz DPZNGQLXEHYFKH-LBPRGKRZSA-N 0 3 356.382 1.650 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000121939376 524413025 /nfs/dbraw/zinc/41/30/25/524413025.db2.gz IURHDENLCQKNRN-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173726034 524442085 /nfs/dbraw/zinc/44/20/85/524442085.db2.gz LWOAJRBQIQNWAY-UHFFFAOYSA-N 0 3 362.430 1.054 20 5 FDBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112549696 524504193 /nfs/dbraw/zinc/50/41/93/524504193.db2.gz IPFFBHRFJREMDD-DGCLKSJQSA-N 0 3 358.402 1.735 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122327777 524510005 /nfs/dbraw/zinc/51/00/05/524510005.db2.gz CGYCZBAIBSTDCG-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCCN(C)C1 ZINC000151200731 524537187 /nfs/dbraw/zinc/53/71/87/524537187.db2.gz PDBKHBOLSIAJDD-STQMWFEESA-N 0 3 364.402 1.345 20 5 FDBDHN CCN(C)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000112926489 524601226 /nfs/dbraw/zinc/60/12/26/524601226.db2.gz DJUPZJPNNJEDOK-UHFFFAOYSA-N 0 3 359.386 1.131 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2nnc3ccccn32)CC1 ZINC000159816516 524744470 /nfs/dbraw/zinc/74/44/70/524744470.db2.gz FOBQPAZATCGYCH-UHFFFAOYSA-N 0 3 368.397 1.679 20 5 FDBDHN CN(CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000174847271 524760620 /nfs/dbraw/zinc/76/06/20/524760620.db2.gz NJMAAHWOGSOQKG-UHFFFAOYSA-N 0 3 372.473 1.541 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152065472 524769530 /nfs/dbraw/zinc/76/95/30/524769530.db2.gz NCRXIXRDRKUACI-OAHLLOKOSA-N 0 3 361.402 1.365 20 5 FDBDHN O=[N+]([O-])c1ccc2nc(NCCCCN3CCN(CCO)CC3)ccc2c1 ZINC000114450760 524801763 /nfs/dbraw/zinc/80/17/63/524801763.db2.gz BYPMZJFTFOWKAH-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1(C(N)=O)CCCC1 ZINC000093211263 524967319 /nfs/dbraw/zinc/96/73/19/524967319.db2.gz CHTHBEUTCIKAKK-UHFFFAOYSA-N 0 3 362.386 1.623 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000152849654 525027013 /nfs/dbraw/zinc/02/70/13/525027013.db2.gz RZAIZTZUGBZMRZ-NRFANRHFSA-N 0 3 367.449 1.584 20 5 FDBDHN O=C(CN1CC[C@]2(CCOC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000153738707 525306405 /nfs/dbraw/zinc/30/64/05/525306405.db2.gz GVIYMQDJPVYKCY-IBGZPJMESA-N 0 3 374.441 1.356 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000104528837 525416808 /nfs/dbraw/zinc/41/68/08/525416808.db2.gz MXKCEQYMIKABGX-UHFFFAOYSA-N 0 3 360.418 1.835 20 5 FDBDHN CCCN(CCN(C)C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000104530800 525417434 /nfs/dbraw/zinc/41/74/34/525417434.db2.gz RIEACZAFWLGGGD-UHFFFAOYSA-N 0 3 360.418 1.898 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180006284 525651044 /nfs/dbraw/zinc/65/10/44/525651044.db2.gz OVLWMCYJQRQAHC-UHFFFAOYSA-N 0 3 372.372 1.516 20 5 FDBDHN CN1CCC(Oc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cn2)CC1 ZINC000154898692 525675980 /nfs/dbraw/zinc/67/59/80/525675980.db2.gz JPDXYEIELBUQHC-UHFFFAOYSA-N 0 3 360.374 1.298 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891159 525814182 /nfs/dbraw/zinc/81/41/82/525814182.db2.gz WDGMUYKVOLXSLC-GFCCVEGCSA-N 0 3 369.443 1.899 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000171225926 525908502 /nfs/dbraw/zinc/90/85/02/525908502.db2.gz CXMGTUYSDOBABN-OKILXGFUSA-N 0 3 365.434 1.139 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000171225932 525909247 /nfs/dbraw/zinc/90/92/47/525909247.db2.gz CXMGTUYSDOBABN-KBPBESRZSA-N 0 3 365.434 1.139 20 5 FDBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000181732024 525909738 /nfs/dbraw/zinc/90/97/38/525909738.db2.gz ZWCQQQYATARVLC-CYBMUJFWSA-N 0 3 353.404 1.180 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108303739 525948808 /nfs/dbraw/zinc/94/88/08/525948808.db2.gz ZDZSZHFMZXWRDL-SWLSCSKDSA-N 0 3 360.414 1.314 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000108304491 525950605 /nfs/dbraw/zinc/95/06/05/525950605.db2.gz FDNIQQYICNTAMX-OAHLLOKOSA-N 0 3 355.398 1.995 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000181879513 525968886 /nfs/dbraw/zinc/96/88/86/525968886.db2.gz MANAYYNNKCKOOS-UHFFFAOYSA-N 0 3 372.372 1.564 20 5 FDBDHN CCN(C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181954713 525996936 /nfs/dbraw/zinc/99/69/36/525996936.db2.gz QTUHQGQQZOBOKK-AWEZNQCLSA-N 0 3 355.460 1.642 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000171446124 525997942 /nfs/dbraw/zinc/99/79/42/525997942.db2.gz KZBJBCSLOPJOBC-AWEZNQCLSA-N 0 3 356.386 1.486 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000133408045 526055569 /nfs/dbraw/zinc/05/55/69/526055569.db2.gz BTQGAPDWUWYLQP-UHFFFAOYSA-N 0 3 373.457 1.715 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000182123866 526065338 /nfs/dbraw/zinc/06/53/38/526065338.db2.gz HKIZPVSRZWIPBK-SFHVURJKSA-N 0 3 372.425 1.420 20 5 FDBDHN COc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184177809 536108450 /nfs/dbraw/zinc/10/84/50/536108450.db2.gz HPXYNVNIKTYPFV-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000184462560 536154457 /nfs/dbraw/zinc/15/44/57/536154457.db2.gz FRDKOAMMZSGTKV-ZFWWWQNUSA-N 0 3 354.407 1.206 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000184558784 536163834 /nfs/dbraw/zinc/16/38/34/536163834.db2.gz BMYHYJAEUUPIHG-CQSZACIVSA-N 0 3 353.444 1.842 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000186358499 536233101 /nfs/dbraw/zinc/23/31/01/536233101.db2.gz JBQZJCSLIFLEHB-SNVBAGLBSA-N 0 3 373.406 1.505 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC000187267457 536259447 /nfs/dbraw/zinc/25/94/47/536259447.db2.gz NMBWSGQWVPPXFY-WMLDXEAASA-N 0 3 350.419 1.655 20 5 FDBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CCO ZINC000187745296 536273648 /nfs/dbraw/zinc/27/36/48/536273648.db2.gz SUIPXFVIEWRYCY-CQSZACIVSA-N 0 3 360.414 1.791 20 5 FDBDHN O=C(NCc1ccc2c(c1)CNC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188671028 536924096 /nfs/dbraw/zinc/92/40/96/536924096.db2.gz MZFOQXWHXBOKDT-UHFFFAOYSA-N 0 3 364.361 1.970 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246696451 537006072 /nfs/dbraw/zinc/00/60/72/537006072.db2.gz ZDFRODVZQDYDQA-GXTWGEPZSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1nn(C)c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000267992167 537006525 /nfs/dbraw/zinc/00/65/25/537006525.db2.gz KTVRLJXTEMJQCF-VXGBXAGGSA-N 0 3 353.423 1.256 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000246830200 537035411 /nfs/dbraw/zinc/03/54/11/537035411.db2.gz YDUZIOLQLNVDAU-HZPDHXFCSA-N 0 3 374.397 1.761 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189571557 537067924 /nfs/dbraw/zinc/06/79/24/537067924.db2.gz FAJDTHKEJKJFTD-UONOGXRCSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189685096 537081692 /nfs/dbraw/zinc/08/16/92/537081692.db2.gz XNOMNLUYCRAEBP-GFCCVEGCSA-N 0 3 354.382 1.061 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000190013854 537127051 /nfs/dbraw/zinc/12/70/51/537127051.db2.gz GQXJGCDEFUUQQY-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278171974 537270676 /nfs/dbraw/zinc/27/06/76/537270676.db2.gz YZXDNFHBJDWXOV-BONVTDFDSA-N 0 3 358.402 1.753 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270726286 537371847 /nfs/dbraw/zinc/37/18/47/537371847.db2.gz IYTNCTASILXVLT-OLZOCXBDSA-N 0 3 354.388 1.621 20 5 FDBDHN COCCN(C)CCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000298939725 537380164 /nfs/dbraw/zinc/38/01/64/537380164.db2.gz PFWXXNOJZMFIMZ-UHFFFAOYSA-N 0 3 354.407 1.371 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293485896 537481160 /nfs/dbraw/zinc/48/11/60/537481160.db2.gz UFNRSYBECCVCMU-UHFFFAOYSA-N 0 3 361.320 1.800 20 5 FDBDHN Cn1cc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000365654997 537563612 /nfs/dbraw/zinc/56/36/12/537563612.db2.gz SXBDONUFHXQHBC-CZUORRHYSA-N 0 3 355.398 1.563 20 5 FDBDHN CN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281784012 537583619 /nfs/dbraw/zinc/58/36/19/537583619.db2.gz NHEUWBQAGHJNJO-UHFFFAOYSA-N 0 3 350.419 1.116 20 5 FDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1Cc1ccccc1 ZINC000284831801 537591604 /nfs/dbraw/zinc/59/16/04/537591604.db2.gz RTEMDQWEFWTFHN-GOSISDBHSA-N 0 3 356.426 1.615 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000324774255 537620563 /nfs/dbraw/zinc/62/05/63/537620563.db2.gz DOFZRDJFMHZFQE-LLVKDONJSA-N 0 3 355.416 1.556 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414569570 537837898 /nfs/dbraw/zinc/83/78/98/537837898.db2.gz IOFDMYRCASISEF-UONOGXRCSA-N 0 3 352.387 1.787 20 5 FDBDHN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411995666 537930574 /nfs/dbraw/zinc/93/05/74/537930574.db2.gz QFMFGNLBVPYQIC-FIXISWKDSA-N 0 3 371.821 1.952 20 5 FDBDHN C[C@H](N[C@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411995669 537930929 /nfs/dbraw/zinc/93/09/29/537930929.db2.gz QFMFGNLBVPYQIC-ZIBATOQPSA-N 0 3 371.821 1.952 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCCN(CCCO)C2)c1F ZINC000412379918 537977564 /nfs/dbraw/zinc/97/75/64/537977564.db2.gz XFNUTPSMZOPPPP-LBPRGKRZSA-N 0 3 369.393 1.248 20 5 FDBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000372782966 538027331 /nfs/dbraw/zinc/02/73/31/538027331.db2.gz PWWABOGZRCXGEU-AEFFLSMTSA-N 0 3 362.474 1.960 20 5 FDBDHN CN1C(=O)C[C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccc(F)cc1 ZINC000372805535 538034129 /nfs/dbraw/zinc/03/41/29/538034129.db2.gz OFXUCGNOUBAUPR-CRAIPNDOSA-N 0 3 374.372 1.457 20 5 FDBDHN Cc1cc(OCC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)ccc1[N+](=O)[O-] ZINC000369861199 538071713 /nfs/dbraw/zinc/07/17/13/538071713.db2.gz FQXQQUXJVDWJSE-UHFFFAOYSA-N 0 3 373.413 2.384 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000444161133 538123268 /nfs/dbraw/zinc/12/32/68/538123268.db2.gz YREIGRIISSKYHI-RHSMWYFYSA-N 0 3 351.403 1.752 20 5 FDBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CNCCO3)cc2[N+](=O)[O-])C1 ZINC000423996855 538208367 /nfs/dbraw/zinc/20/83/67/538208367.db2.gz XNGCRCDEMNAJFG-UKRRQHHQSA-N 0 3 362.430 1.549 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000440047659 538211258 /nfs/dbraw/zinc/21/12/58/538211258.db2.gz FYZSMOBUSRIXGG-UHFFFAOYSA-N 0 3 352.391 1.388 20 5 FDBDHN Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000433376845 538231760 /nfs/dbraw/zinc/23/17/60/538231760.db2.gz UIAJWIHLVNSOHO-HOCLYGCPSA-N 0 3 372.429 1.797 20 5 FDBDHN COC(=O)c1cc([N-]C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000433400388 538238392 /nfs/dbraw/zinc/23/83/92/538238392.db2.gz SRBLXFFTVUKAMV-LBPRGKRZSA-N 0 3 374.357 1.150 20 5 FDBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427952920 538255003 /nfs/dbraw/zinc/25/50/03/538255003.db2.gz UMPVRQZDOIVINA-SNVBAGLBSA-N 0 3 359.404 1.162 20 5 FDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000447241516 538359800 /nfs/dbraw/zinc/35/98/00/538359800.db2.gz ARGGNEZQDOGDNS-LLVKDONJSA-N 0 3 364.221 1.373 20 5 FDBDHN CN(C)CC(C)(C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000457213855 538480189 /nfs/dbraw/zinc/48/01/89/538480189.db2.gz VJADWGBMBQJNJC-UHFFFAOYSA-N 0 3 356.810 1.434 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC/C=C/c2ccncc2)c1 ZINC000486938605 538577786 /nfs/dbraw/zinc/57/77/86/538577786.db2.gz MPSPUATYCVQKAY-NSCUHMNNSA-N 0 3 362.411 1.571 20 5 FDBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CCO)CCOCC1 ZINC000495444871 538662686 /nfs/dbraw/zinc/66/26/86/538662686.db2.gz NKMKGUOKGQLIEM-UHFFFAOYSA-N 0 3 352.387 1.825 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000472626160 538675034 /nfs/dbraw/zinc/67/50/34/538675034.db2.gz XEYLNTYFAXIIJM-CQSZACIVSA-N 0 3 364.377 1.759 20 5 FDBDHN COC(=O)c1cnc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000477739279 538684262 /nfs/dbraw/zinc/68/42/62/538684262.db2.gz HPFUQZHNIYDNPP-ZDUSSCGKSA-N 0 3 352.391 1.281 20 5 FDBDHN COC(=O)C[C@]1(NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000464601811 538699087 /nfs/dbraw/zinc/69/90/87/538699087.db2.gz IXLQWPMAVHPLRX-QGZVFWFLSA-N 0 3 365.386 1.544 20 5 FDBDHN O=[N+]([O-])c1ccc(CNC2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000478282407 538729639 /nfs/dbraw/zinc/72/96/39/538729639.db2.gz ZOQDAFSIOQWGQW-UHFFFAOYSA-N 0 3 357.407 1.780 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000489141717 538793507 /nfs/dbraw/zinc/79/35/07/538793507.db2.gz RDYVXMVXNCZFRK-ZDUSSCGKSA-N 0 3 350.419 1.850 20 5 FDBDHN CN(CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000485561961 538846390 /nfs/dbraw/zinc/84/63/90/538846390.db2.gz OFYXWOGEZHRMPF-UHFFFAOYSA-N 0 3 360.414 1.296 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000561999875 546006671 /nfs/dbraw/zinc/00/66/71/546006671.db2.gz BUBMLXVIJSQSSG-DZGCQCFKSA-N 0 3 374.441 1.685 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000562194614 546053914 /nfs/dbraw/zinc/05/39/14/546053914.db2.gz LTHPRDVNVOZXBK-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN Cc1ccc([C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000564847113 547065044 /nfs/dbraw/zinc/06/50/44/547065044.db2.gz JEYZSTNAOTUUBZ-HOTGVXAUSA-N 0 3 363.418 1.480 20 5 FDBDHN CN1CCC[C@H](CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000565635168 547425804 /nfs/dbraw/zinc/42/58/04/547425804.db2.gz ZLLUTYVJCIROCC-CYBMUJFWSA-N 0 3 350.423 1.480 20 5 FDBDHN O=c1oc2ccccc2n1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005047 547563413 /nfs/dbraw/zinc/56/34/13/547563413.db2.gz OVBMIMKPANSHOE-CYBMUJFWSA-N 0 3 373.365 1.532 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000566039908 547575524 /nfs/dbraw/zinc/57/55/24/547575524.db2.gz MJZLQCURBXDFQU-UHFFFAOYSA-N 0 3 350.419 1.944 20 5 FDBDHN O=C(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000566115074 547611694 /nfs/dbraw/zinc/61/16/94/547611694.db2.gz BTOQVKCAULZOAL-HNNXBMFYSA-N 0 3 359.382 1.953 20 5 FDBDHN Cc1cc(C)n(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000569285171 548862107 /nfs/dbraw/zinc/86/21/07/548862107.db2.gz BMEMWKMXHWPRRJ-UHFFFAOYSA-N 0 3 366.443 1.862 20 5 FDBDHN Cc1c(CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cccc1[N+](=O)[O-] ZINC000569574408 548966188 /nfs/dbraw/zinc/96/61/88/548966188.db2.gz BNTYKQRSHYJHBF-HNNXBMFYSA-N 0 3 358.402 1.360 20 5 FDBDHN Cc1cccc(C[C@@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569693540 549014289 /nfs/dbraw/zinc/01/42/89/549014289.db2.gz QQGZVVHDORIPNG-FUHWJXTLSA-N 0 3 360.410 1.836 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000569706760 549020308 /nfs/dbraw/zinc/02/03/08/549020308.db2.gz PFIDHUGGCXSEDB-QWHCGFSZSA-N 0 3 365.459 1.683 20 5 FDBDHN C[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000569884150 549081592 /nfs/dbraw/zinc/08/15/92/549081592.db2.gz NOSMGQYFSBCZHW-XJKSGUPXSA-N 0 3 370.475 1.906 20 5 FDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000570211721 549198471 /nfs/dbraw/zinc/19/84/71/549198471.db2.gz KKDWKAASILTTDM-UHFFFAOYSA-N 0 3 353.322 1.773 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571775029 549760392 /nfs/dbraw/zinc/76/03/92/549760392.db2.gz ORTWRIHUOQZOLB-HNNXBMFYSA-N 0 3 369.425 2.283 20 5 FDBDHN Cc1cnc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000573676818 550189814 /nfs/dbraw/zinc/18/98/14/550189814.db2.gz MSHCWIKTENUPRO-UHFFFAOYSA-N 0 3 350.400 1.299 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574598632 550339895 /nfs/dbraw/zinc/33/98/95/550339895.db2.gz XXKQXQPIWIYALW-UHFFFAOYSA-N 0 3 358.402 1.216 20 5 FDBDHN O=C(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000576816058 550588831 /nfs/dbraw/zinc/58/88/31/550588831.db2.gz JOTFBADPKZEJGZ-HNNXBMFYSA-N 0 3 365.430 1.717 20 5 FDBDHN Cc1cc(C)n(-c2ccccc2CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000577502598 550663798 /nfs/dbraw/zinc/66/37/98/550663798.db2.gz AGYVAPPSQCFQEA-QGZVFWFLSA-N 0 3 370.413 1.745 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCO[C@H]2CCOC2)cc1 ZINC000579463173 550875894 /nfs/dbraw/zinc/87/58/94/550875894.db2.gz GUPZRIPCNGXJOU-AWEZNQCLSA-N 0 3 358.416 1.154 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000580728965 551012982 /nfs/dbraw/zinc/01/29/82/551012982.db2.gz IMEMFWVLTADZGU-SJKOYZFVSA-N 0 3 352.387 1.787 20 5 FDBDHN CN(C)CCN(C)CCCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000580974977 551038900 /nfs/dbraw/zinc/03/89/00/551038900.db2.gz XEXHAOJBAAGJEN-UHFFFAOYSA-N 0 3 372.491 1.318 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2Cn2ccnc2)c1 ZINC000583317055 551334232 /nfs/dbraw/zinc/33/42/32/551334232.db2.gz NZYVMGFTKPGKTA-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN CN1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000583872579 551414031 /nfs/dbraw/zinc/41/40/31/551414031.db2.gz UCGKUUJETJLWTB-GFCCVEGCSA-N 0 3 356.810 1.118 20 5 FDBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000584715227 551534879 /nfs/dbraw/zinc/53/48/79/551534879.db2.gz MQBWREIJKNTTJN-CYBMUJFWSA-N 0 3 352.416 1.491 20 5 FDBDHN C[C@](O)(CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589319108 551724465 /nfs/dbraw/zinc/72/44/65/551724465.db2.gz MQSUOCXRMOEZSM-LLVKDONJSA-N 0 3 366.155 1.032 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000590442775 551784644 /nfs/dbraw/zinc/78/46/44/551784644.db2.gz BEGJWUVYEITPIU-CRAIPNDOSA-N 0 3 358.442 1.974 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566274 551792999 /nfs/dbraw/zinc/79/29/99/551792999.db2.gz XFTWXKIGSUSPPY-ZWKOTPCHSA-N 0 3 372.425 1.940 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000591012804 551835127 /nfs/dbraw/zinc/83/51/27/551835127.db2.gz DUWGRUWUJRPPAE-CQSZACIVSA-N 0 3 360.414 1.751 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000591452055 551871415 /nfs/dbraw/zinc/87/14/15/551871415.db2.gz LCJUVNQDOGJDDZ-LBPRGKRZSA-N 0 3 363.395 1.682 20 5 FDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591681470 551896669 /nfs/dbraw/zinc/89/66/69/551896669.db2.gz XBFUVJIDVSUKHC-UHFFFAOYSA-N 0 3 356.338 1.659 20 5 FDBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591773547 551907839 /nfs/dbraw/zinc/90/78/39/551907839.db2.gz HOESWZOHCSFZAO-KRWDZBQOSA-N 0 3 374.445 1.325 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592177736 551954514 /nfs/dbraw/zinc/95/45/14/551954514.db2.gz OTASCHMYHYHJJN-MSOLQXFVSA-N 0 3 372.425 1.812 20 5 FDBDHN COc1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592243609 551966527 /nfs/dbraw/zinc/96/65/27/551966527.db2.gz BGUJJCMEMOXWAV-LLVKDONJSA-N 0 3 365.390 1.187 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000592367304 551985186 /nfs/dbraw/zinc/98/51/86/551985186.db2.gz OPJAXRJBAPQUBU-VIFPVBQESA-N 0 3 367.349 1.892 20 5 FDBDHN CC1(C)CNCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592473475 551999339 /nfs/dbraw/zinc/99/93/39/551999339.db2.gz UMTOQADDCKLBAH-UHFFFAOYSA-N 0 3 354.794 1.188 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592870390 552037235 /nfs/dbraw/zinc/03/72/35/552037235.db2.gz CJJVGCODEIBJHF-CYBMUJFWSA-N 0 3 362.430 1.451 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000593024677 552054073 /nfs/dbraw/zinc/05/40/73/552054073.db2.gz JUJSFODNYXPXBB-ZDUSSCGKSA-N 0 3 365.430 1.658 20 5 FDBDHN COCCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100755 552062064 /nfs/dbraw/zinc/06/20/64/552062064.db2.gz JDMKYZLSJGARAG-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559794 552134178 /nfs/dbraw/zinc/13/41/78/552134178.db2.gz OBQUSTMEBGLUKX-UPJWGTAASA-N 0 3 356.448 1.635 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593885007 552216781 /nfs/dbraw/zinc/21/67/81/552216781.db2.gz ZJDUGPIZBHKVQO-UHFFFAOYSA-N 0 3 362.430 1.659 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594108105 552250225 /nfs/dbraw/zinc/25/02/25/552250225.db2.gz QYLXETMYBNPQSO-QWHCGFSZSA-N 0 3 350.375 1.276 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000594298203 552281239 /nfs/dbraw/zinc/28/12/39/552281239.db2.gz LNIWVYKQAGGSNT-CYBMUJFWSA-N 0 3 373.417 1.075 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594327941 552289669 /nfs/dbraw/zinc/28/96/69/552289669.db2.gz YDARANCFCGVEAH-ZBFHGGJFSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393744 552302055 /nfs/dbraw/zinc/30/20/55/552302055.db2.gz OTQFUTDSDYNTGV-WCFLWFBJSA-N 0 3 369.805 1.293 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594419759 552307064 /nfs/dbraw/zinc/30/70/64/552307064.db2.gz RDYPNJPYMDRTQZ-DOTOQJQBSA-N 0 3 374.441 1.766 20 5 FDBDHN COC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000594711475 552361070 /nfs/dbraw/zinc/36/10/70/552361070.db2.gz OWKSIEKDCUUUQH-IRXDYDNUSA-N 0 3 363.414 1.731 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594770990 552378579 /nfs/dbraw/zinc/37/85/79/552378579.db2.gz MNOPORRXIOHSKH-UHFFFAOYSA-N 0 3 364.427 1.906 20 5 FDBDHN CS(=O)(=O)CC1(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594953373 552426617 /nfs/dbraw/zinc/42/66/17/552426617.db2.gz SCQSNUJHNVWWDM-UHFFFAOYSA-N 0 3 370.427 1.671 20 5 FDBDHN C[C@H](CSCCF)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595020231 552438403 /nfs/dbraw/zinc/43/84/03/552438403.db2.gz WLGZRENCDJWBNB-LLVKDONJSA-N 0 3 365.452 1.554 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595121718 552457828 /nfs/dbraw/zinc/45/78/28/552457828.db2.gz FVIYRHHMTDGTAU-RKDXNWHRSA-N 0 3 372.205 1.961 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)c1 ZINC000595409221 552552844 /nfs/dbraw/zinc/55/28/44/552552844.db2.gz BTHAJPACIVWWHV-CQSZACIVSA-N 0 3 353.444 1.995 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000595410357 552553237 /nfs/dbraw/zinc/55/32/37/552553237.db2.gz JQTAHOMOJADTLC-CYBMUJFWSA-N 0 3 354.432 1.390 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000595410357 552553239 /nfs/dbraw/zinc/55/32/39/552553239.db2.gz JQTAHOMOJADTLC-CYBMUJFWSA-N 0 3 354.432 1.390 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595631157 552595252 /nfs/dbraw/zinc/59/52/52/552595252.db2.gz GDVGLYRJLNENNL-NILFDRSVSA-N 0 3 351.403 1.349 20 5 FDBDHN CCOc1ccc(NC(=O)CN(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595909193 552632008 /nfs/dbraw/zinc/63/20/08/552632008.db2.gz QFXJEVSEYLMKBR-LBPRGKRZSA-N 0 3 364.324 1.753 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595985223 552641188 /nfs/dbraw/zinc/64/11/88/552641188.db2.gz FHMHYVDXIABEOJ-LBPRGKRZSA-N 0 3 373.417 1.075 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000596052576 552650265 /nfs/dbraw/zinc/65/02/65/552650265.db2.gz VBHYZEKDJQTDOB-NSHDSACASA-N 0 3 355.338 1.722 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596053199 552650385 /nfs/dbraw/zinc/65/03/85/552650385.db2.gz XQKMDWCBWRRVIL-LLVKDONJSA-N 0 3 355.338 1.667 20 5 FDBDHN COc1cc(C(=O)N2CCOC3(CNC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000596097677 552654939 /nfs/dbraw/zinc/65/49/39/552654939.db2.gz JDVXNPLQSOCSPV-UHFFFAOYSA-N 0 3 373.312 1.019 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309288 552673131 /nfs/dbraw/zinc/67/31/31/552673131.db2.gz XOZHOJJJKCMXNE-LLVKDONJSA-N 0 3 356.448 1.788 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596654392 552697595 /nfs/dbraw/zinc/69/75/95/552697595.db2.gz NTUCFSOXYYSPLO-JTQLQIEISA-N 0 3 360.374 1.056 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000597582352 552808721 /nfs/dbraw/zinc/80/87/21/552808721.db2.gz AKGRVPOYBUTHOQ-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN CCOc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597695070 552823078 /nfs/dbraw/zinc/82/30/78/552823078.db2.gz POVPDHOJKIZWIX-GOEBONIOSA-N 0 3 363.414 1.929 20 5 FDBDHN Cc1cc(=O)c(C(=O)N2CC(CN(C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000597708450 552824525 /nfs/dbraw/zinc/82/45/25/552824525.db2.gz LUWGQOZYIQCHPD-UHFFFAOYSA-N 0 3 371.397 1.083 20 5 FDBDHN COc1ccc(CSCC(=O)N2CCN3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC000597708599 552824846 /nfs/dbraw/zinc/82/48/46/552824846.db2.gz CMCCMTJCHHOENZ-ZDUSSCGKSA-N 0 3 351.428 1.753 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597922920 552846273 /nfs/dbraw/zinc/84/62/73/552846273.db2.gz GWTSKQQYGKYJHW-TZMCWYRMSA-N 0 3 362.430 1.702 20 5 FDBDHN CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598042544 552859894 /nfs/dbraw/zinc/85/98/94/552859894.db2.gz PMXYCKHBSYLYFL-CJNGLKHVSA-N 0 3 362.430 1.656 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598865950 552938286 /nfs/dbraw/zinc/93/82/86/552938286.db2.gz GFZNMBQKOIFJPW-UHFFFAOYSA-N 0 3 370.837 1.649 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897298 552940912 /nfs/dbraw/zinc/94/09/12/552940912.db2.gz CFHWEGDBCQMPDJ-IUODEOHRSA-N 0 3 363.418 1.515 20 5 FDBDHN CN1C2(CCC2)COC[C@]1(CO)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990334 552954695 /nfs/dbraw/zinc/95/46/95/552954695.db2.gz KZAFMGGDYLUAGA-ZLHKHBAESA-N 0 3 361.442 1.813 20 5 FDBDHN Cc1ccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1[N+](=O)[O-] ZINC000598991642 552955114 /nfs/dbraw/zinc/95/51/14/552955114.db2.gz PXMDBEAZXOXELB-AWEZNQCLSA-N 0 3 353.386 1.709 20 5 FDBDHN COc1ccc(CNC[C@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599006924 552957380 /nfs/dbraw/zinc/95/73/80/552957380.db2.gz MXCWVTGBYKJPTQ-KRWDZBQOSA-N 0 3 372.425 1.989 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599561595 553086824 /nfs/dbraw/zinc/08/68/24/553086824.db2.gz BVGYJHFKPCLEOU-MRXNPFEDSA-N 0 3 351.359 1.187 20 5 FDBDHN C[C@]1(CO)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624706 553106655 /nfs/dbraw/zinc/10/66/55/553106655.db2.gz VGPVNDZDMJTLDB-CALCHBBNSA-N 0 3 351.403 1.236 20 5 FDBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599937103 553177634 /nfs/dbraw/zinc/17/76/34/553177634.db2.gz DGVVPXJJJWMKAR-NEPJUHHUSA-N 0 3 371.340 1.477 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599940568 553179780 /nfs/dbraw/zinc/17/97/80/553179780.db2.gz QDHPYHZFQMYMSB-CMPLNLGQSA-N 0 3 355.341 1.083 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)C[C@@H]21 ZINC000599989057 553194936 /nfs/dbraw/zinc/19/49/36/553194936.db2.gz ISVUHGJSPMLTRK-BZNIZROVSA-N 0 3 359.361 1.696 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131506 553350947 /nfs/dbraw/zinc/35/09/47/553350947.db2.gz ZLYORSCOTRWNDD-SFHVURJKSA-N 0 3 369.425 1.886 20 5 FDBDHN O=C(NC[C@@H](O)CN1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601344806 553380704 /nfs/dbraw/zinc/38/07/04/553380704.db2.gz FTKTZTIMBOOYRE-QGZVFWFLSA-N 0 3 361.442 1.980 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601463587 553412953 /nfs/dbraw/zinc/41/29/53/553412953.db2.gz HPBRCPBZAGNEPW-UHFFFAOYSA-N 0 3 364.493 1.127 20 5 FDBDHN CN(C)CCn1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000601521922 553427576 /nfs/dbraw/zinc/42/75/76/553427576.db2.gz VYUMZPMLJKMQGG-UHFFFAOYSA-N 0 3 359.386 1.256 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601849591 553480906 /nfs/dbraw/zinc/48/09/06/553480906.db2.gz HKGRQCWANBAYKI-MRXNPFEDSA-N 0 3 357.414 1.799 20 5 FDBDHN Cc1cccc(CN2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601852191 553481189 /nfs/dbraw/zinc/48/11/89/553481189.db2.gz YFWPUFMUPPUZKF-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000602809138 553642191 /nfs/dbraw/zinc/64/21/91/553642191.db2.gz YZFBDCOGVPRJOF-UHFFFAOYSA-N 0 3 365.478 1.924 20 5 FDBDHN COCCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603841070 553820166 /nfs/dbraw/zinc/82/01/66/553820166.db2.gz VOGUYSZTTBQFBN-UHFFFAOYSA-N 0 3 351.403 1.448 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000608860501 554325654 /nfs/dbraw/zinc/32/56/54/554325654.db2.gz RBTGPLMLCLGWGU-MRXNPFEDSA-N 0 3 368.393 1.798 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610144828 554467363 /nfs/dbraw/zinc/46/73/63/554467363.db2.gz IXAYZOPYSMZHQG-UHFFFAOYSA-N 0 3 351.451 1.272 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610239463 554476801 /nfs/dbraw/zinc/47/68/01/554476801.db2.gz DKMZNLJLMRHIEP-UHFFFAOYSA-N 0 3 365.430 1.869 20 5 FDBDHN Cc1ccc([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000610810567 554565274 /nfs/dbraw/zinc/56/52/74/554565274.db2.gz ADIMCNWFYUBSGA-CQSZACIVSA-N 0 3 370.475 1.131 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610892257 554576825 /nfs/dbraw/zinc/57/68/25/554576825.db2.gz WVFMOJKAYFKVTG-RDJZCZTQSA-N 0 3 374.441 1.657 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611091979 554604210 /nfs/dbraw/zinc/60/42/10/554604210.db2.gz FLOSYKHVBWXOIF-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN Cc1nc(CN2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000611431314 554633255 /nfs/dbraw/zinc/63/32/55/554633255.db2.gz OFHWMOLKZQQIOB-UHFFFAOYSA-N 0 3 373.417 1.168 20 5 FDBDHN COC(=O)c1cnc(NCCCN2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000616176924 555278863 /nfs/dbraw/zinc/27/88/63/555278863.db2.gz PGVNUYCCOBRBRV-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000619477673 555783730 /nfs/dbraw/zinc/78/37/30/555783730.db2.gz XSJOJFZQNSXXID-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000619491974 555788030 /nfs/dbraw/zinc/78/80/30/555788030.db2.gz IUPYOLMNJWCMSH-QWHCGFSZSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1nn(CCC(=O)Nc2ccc3c(c2)CNCCO3)c(C)c1[N+](=O)[O-] ZINC000291084387 568017174 /nfs/dbraw/zinc/01/71/74/568017174.db2.gz OXVZXLMZDSUEOR-UHFFFAOYSA-N 0 3 359.386 1.919 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000272023827 674406702 /nfs/dbraw/zinc/40/67/02/674406702.db2.gz LUVDPYLORLIPAJ-HZPDHXFCSA-N 0 3 364.471 1.461 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823651701 599237553 /nfs/dbraw/zinc/23/75/53/599237553.db2.gz NXGNFLXORJBRAO-CYBMUJFWSA-N 0 3 366.385 1.856 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823651701 599237558 /nfs/dbraw/zinc/23/75/58/599237558.db2.gz NXGNFLXORJBRAO-CYBMUJFWSA-N 0 3 366.385 1.856 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823651702 599237744 /nfs/dbraw/zinc/23/77/44/599237744.db2.gz NXGNFLXORJBRAO-ZDUSSCGKSA-N 0 3 366.385 1.856 20 5 FDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823651702 599237746 /nfs/dbraw/zinc/23/77/46/599237746.db2.gz NXGNFLXORJBRAO-ZDUSSCGKSA-N 0 3 366.385 1.856 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736980417 598395009 /nfs/dbraw/zinc/39/50/09/598395009.db2.gz FEQDOZOXSKBDPD-UHFFFAOYSA-N 0 3 361.406 1.688 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736980417 598395011 /nfs/dbraw/zinc/39/50/11/598395011.db2.gz FEQDOZOXSKBDPD-UHFFFAOYSA-N 0 3 361.406 1.688 20 5 FDBDHN C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736769368 598756168 /nfs/dbraw/zinc/75/61/68/598756168.db2.gz QBLGCLRBVHWRCW-UHFFFAOYSA-N 0 3 361.406 1.322 20 5 FDBDHN C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736769368 598756170 /nfs/dbraw/zinc/75/61/70/598756170.db2.gz QBLGCLRBVHWRCW-UHFFFAOYSA-N 0 3 361.406 1.322 20 5 FDBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272848137 674480828 /nfs/dbraw/zinc/48/08/28/674480828.db2.gz OCJXORMLODUWRZ-ZBEGNZNMSA-N 0 3 365.411 1.626 20 5 FDBDHN C[NH+](C)C[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825856238 607738433 /nfs/dbraw/zinc/73/84/33/607738433.db2.gz SKAMMSOHVBZTEQ-MRXNPFEDSA-N 0 3 372.389 1.048 20 5 FDBDHN C[NH+](C)C[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825856238 607738434 /nfs/dbraw/zinc/73/84/34/607738434.db2.gz SKAMMSOHVBZTEQ-MRXNPFEDSA-N 0 3 372.389 1.048 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000273434945 674537074 /nfs/dbraw/zinc/53/70/74/674537074.db2.gz LUEPYNCDMKDOQJ-OAGGEKHMSA-N 0 3 366.439 1.916 20 5 FDBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000273452071 674539044 /nfs/dbraw/zinc/53/90/44/674539044.db2.gz OVGBGJHSFKGKNQ-RRFJBIMHSA-N 0 3 354.428 1.772 20 5 FDBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncccc1[N+](=O)[O-] ZINC000821586050 607114219 /nfs/dbraw/zinc/11/42/19/607114219.db2.gz HKMLSYNQVANNHV-UHFFFAOYSA-N 0 3 368.401 1.738 20 5 FDBDHN COC(=O)c1cnc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000276666376 674748364 /nfs/dbraw/zinc/74/83/64/674748364.db2.gz DFFMEXSTKNXWPT-UONOGXRCSA-N 0 3 366.443 1.792 20 5 FDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(NS(C)(=O)=O)c1 ZINC000119005106 671669064 /nfs/dbraw/zinc/66/90/64/671669064.db2.gz NRGKRDMAHIXOLB-NSHDSACASA-N 0 3 353.404 1.514 20 5 FDBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178910592 672150588 /nfs/dbraw/zinc/15/05/88/672150588.db2.gz QXCJNUTUSUOIPK-ZETCQYMHSA-N 0 3 352.210 1.373 20 5 FDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000252213053 672593110 /nfs/dbraw/zinc/59/31/10/672593110.db2.gz WWZXYIPWIDJTTK-NWDGAFQWSA-N 0 3 356.448 1.775 20 5 FDBDHN COCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000299440805 676534859 /nfs/dbraw/zinc/53/48/59/676534859.db2.gz OYZASCAQNIOSIE-UHFFFAOYSA-N 0 3 355.366 1.340 20 5 FDBDHN COCCCN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000363645656 676966908 /nfs/dbraw/zinc/96/69/08/676966908.db2.gz GCXNKGWHDZSGMQ-UHFFFAOYSA-N 0 3 350.419 1.578 20 5 FDBDHN CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364324861 677007937 /nfs/dbraw/zinc/00/79/37/677007937.db2.gz OFSAXCFRDCCSFW-KGLIPLIRSA-N 0 3 371.463 1.100 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)cc1Cl ZINC000364958466 677341066 /nfs/dbraw/zinc/34/10/66/677341066.db2.gz XOMPKNPJRVUDAP-LLVKDONJSA-N 0 3 371.821 1.928 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411984381 679139539 /nfs/dbraw/zinc/13/95/39/679139539.db2.gz CXHNRZJMBVOMTG-YDHLFZDLSA-N 0 3 351.403 1.607 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420966132 680580801 /nfs/dbraw/zinc/58/08/01/680580801.db2.gz ZDCWKQMRYLSTGQ-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431664019 681131173 /nfs/dbraw/zinc/13/11/73/681131173.db2.gz JXRXWQSIHHUSLY-CQSZACIVSA-N 0 3 350.419 1.850 20 5 FDBDHN CC(C)N1CCC(O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443776524 682345361 /nfs/dbraw/zinc/34/53/61/682345361.db2.gz DJNBYBZTDPVLFW-UHFFFAOYSA-N 0 3 371.459 1.250 20 5 FDBDHN COc1cc(CNC[C@@H]2CCCCN2CCO)c([N+](=O)[O-])cc1OC ZINC000449389460 682679496 /nfs/dbraw/zinc/67/94/96/682679496.db2.gz DAXNNGPOJOSASE-AWEZNQCLSA-N 0 3 353.419 1.548 20 5 FDBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449420725 682681090 /nfs/dbraw/zinc/68/10/90/682681090.db2.gz KDZIONBWPKHLRI-KBPBESRZSA-N 0 3 352.387 1.739 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO ZINC000452785380 683118663 /nfs/dbraw/zinc/11/86/63/683118663.db2.gz SRRNKHKHRKIHDD-CYBMUJFWSA-N 0 3 351.403 1.570 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCCN(CCCO)C1 ZINC000452796932 683120557 /nfs/dbraw/zinc/12/05/57/683120557.db2.gz NXSISLJLXCUEOR-LLVKDONJSA-N 0 3 357.357 1.379 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000490098445 687132478 /nfs/dbraw/zinc/13/24/78/687132478.db2.gz CEXAXAKXCQEAPV-BETUJISGSA-N 0 3 350.419 1.995 20 5 FDBDHN CCOc1cc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510765390 689418324 /nfs/dbraw/zinc/41/83/24/689418324.db2.gz QYZYXRXIFHQQLQ-UONOGXRCSA-N 0 3 371.459 1.944 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000521227895 690397018 /nfs/dbraw/zinc/39/70/18/690397018.db2.gz AHXAQONMYUPYCO-LLVKDONJSA-N 0 3 371.191 1.410 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000532854448 694892421 /nfs/dbraw/zinc/89/24/21/694892421.db2.gz JCVYACVOAFGZOA-VXGBXAGGSA-N 0 3 359.452 1.305 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000933333005 777274225 /nfs/dbraw/zinc/27/42/25/777274225.db2.gz MUZNVVPKAOBUBS-AWEZNQCLSA-N 0 3 364.446 1.613 20 5 FDBDHN COc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000277381592 781634473 /nfs/dbraw/zinc/63/44/73/781634473.db2.gz COAYPJCBFYZPFQ-UHFFFAOYSA-N 0 3 359.386 1.858 20 5 FDBDHN COc1c([O-])ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c1[N+](=O)[O-] ZINC000892486859 785190290 /nfs/dbraw/zinc/19/02/90/785190290.db2.gz AMBLWSDXNGUJJN-CQSZACIVSA-N 0 3 353.419 1.755 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000389413413 785305012 /nfs/dbraw/zinc/30/50/12/785305012.db2.gz LUPRTYPUNLWLIL-LRDDRELGSA-N 0 3 355.398 1.965 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000376267108 787075775 /nfs/dbraw/zinc/07/57/75/787075775.db2.gz RIJWVVFFFCZGHE-AWEZNQCLSA-N 0 3 362.434 1.044 20 5 FDBDHN CCCN(CCN1CCCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290695206 793754511 /nfs/dbraw/zinc/75/45/11/793754511.db2.gz RYVCXRVMYSHKQC-UHFFFAOYSA-N 0 3 364.446 1.871 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512142165 808455620 /nfs/dbraw/zinc/45/56/20/808455620.db2.gz HOFNVZWMXDYXRZ-SMDDNHRTSA-N 0 3 364.450 1.594 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418755945 809187596 /nfs/dbraw/zinc/18/75/96/809187596.db2.gz CESJSQUMVAWMRA-INIZCTEOSA-N 0 3 364.402 1.136 20 5 FDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000433372046 810474623 /nfs/dbraw/zinc/47/46/23/810474623.db2.gz GKZZSXYTZGZZSR-BBRMVZONSA-N 0 3 370.413 1.732 20 5 FDBDHN COC(=O)[C@H](O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501029831 811950086 /nfs/dbraw/zinc/95/00/86/811950086.db2.gz RSZJLQOWRFPNEK-MRXNPFEDSA-N 0 3 365.386 1.169 20 5 FDBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)c2cccnc21 ZINC000413142996 812090288 /nfs/dbraw/zinc/09/02/88/812090288.db2.gz OIYOQOZROJZFCD-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000434462591 815572583 /nfs/dbraw/zinc/57/25/83/815572583.db2.gz HCDZNONPQUSOBO-AWEZNQCLSA-N 0 3 358.402 1.317 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000518244442 817804243 /nfs/dbraw/zinc/80/42/43/817804243.db2.gz XFDFWQCXNQZRDN-MRXNPFEDSA-N 0 3 374.441 1.606 20 5 FDBDHN CC(C)(C)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000519716685 819025982 /nfs/dbraw/zinc/02/59/82/819025982.db2.gz WKSZJFBOXLEINZ-GXTWGEPZSA-N 0 3 360.414 1.276 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000524263611 828344476 /nfs/dbraw/zinc/34/44/76/828344476.db2.gz ARHHVKYNLBFLQO-OAHLLOKOSA-N 0 3 366.418 1.384 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000524263610 828344822 /nfs/dbraw/zinc/34/48/22/828344822.db2.gz ARHHVKYNLBFLQO-HNNXBMFYSA-N 0 3 366.418 1.384 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000445769654 828360977 /nfs/dbraw/zinc/36/09/77/828360977.db2.gz ZUYWWVUOBLGPTR-DRZSPHRISA-N 0 3 364.402 1.564 20 5 FDBDHN C[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000522682608 825735150 /nfs/dbraw/zinc/73/51/50/825735150.db2.gz UORHDGYXEUABND-XJKSGUPXSA-N 0 3 370.413 1.970 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220040 827180177 /nfs/dbraw/zinc/18/01/77/827180177.db2.gz RPJQYQFELVNDDT-MSOLQXFVSA-N 0 3 374.441 1.522 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220396 827181348 /nfs/dbraw/zinc/18/13/48/827181348.db2.gz AMJGCBOVAZFQQD-LSDHHAIUSA-N 0 3 363.414 1.725 20 5 FDBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000440523298 828174066 /nfs/dbraw/zinc/17/40/66/828174066.db2.gz QFTWIQSZPYNJPB-LJQANCHMSA-N 0 3 355.394 1.962 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000452348285 830618835 /nfs/dbraw/zinc/61/88/35/830618835.db2.gz KWAOPBDJLKWHPO-MRXNPFEDSA-N 0 3 373.413 1.357 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459973396 839159080 /nfs/dbraw/zinc/15/90/80/839159080.db2.gz MONPGLQMDFSJRJ-UHFFFAOYSA-N 0 3 374.441 1.640 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)C[C@@H]21 ZINC000459980214 839171305 /nfs/dbraw/zinc/17/13/05/839171305.db2.gz ZWYQMVCOKKMHKU-PBHICJAKSA-N 0 3 372.425 1.248 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913103331 861425077 /nfs/dbraw/zinc/42/50/77/861425077.db2.gz LBLDSLZVEHLEQE-YOEHRIQHSA-N 0 3 357.414 1.818 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000480728824 845697206 /nfs/dbraw/zinc/69/72/06/845697206.db2.gz UVFSMNFDXVVUMV-UHFFFAOYSA-N 0 3 371.441 1.990 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001126934550 848517612 /nfs/dbraw/zinc/51/76/12/848517612.db2.gz MDNFXULAUVEPQW-CABCVRRESA-N 0 3 370.413 1.874 20 5 FDBDHN CNC(=O)C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483425252 849565341 /nfs/dbraw/zinc/56/53/41/849565341.db2.gz HMISTVYDQASPFN-JKSUJKDBSA-N 0 3 373.409 1.802 20 5 FDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000910287572 857037425 /nfs/dbraw/zinc/03/74/25/857037425.db2.gz LHVSPIGQDRFBLF-CYBMUJFWSA-N 0 3 351.403 1.925 20 5 FDBDHN CN1CCC(N(CCO)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000911935809 859160450 /nfs/dbraw/zinc/16/04/50/859160450.db2.gz NFUMUBVJHMKQIV-UHFFFAOYSA-N 0 3 364.446 1.702 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000916664466 882017571 /nfs/dbraw/zinc/01/75/71/882017571.db2.gz YSFIBISCXSSSQH-WDEREUQCSA-N 0 3 373.406 1.315 20 5 FDBDHN CCN1CCN(CC(C)(C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000456908906 867178260 /nfs/dbraw/zinc/17/82/60/867178260.db2.gz XJCQMEDKFSKIJU-UHFFFAOYSA-N 0 3 374.445 1.617 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1=O ZINC000272487823 877620731 /nfs/dbraw/zinc/62/07/31/877620731.db2.gz VUMMPZFESLSMAC-UHFFFAOYSA-N 0 3 374.353 1.299 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272581091 877965617 /nfs/dbraw/zinc/96/56/17/877965617.db2.gz GTPNYPKEHTXQLG-CZUORRHYSA-N 0 3 360.414 1.267 20 5 FDBDHN O=[N+]([O-])c1cc2ccccc2nc1NCCCCN1CCN(CCO)CC1 ZINC000473512309 888788020 /nfs/dbraw/zinc/78/80/20/888788020.db2.gz KANDUPVTDRPRQO-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069796969 891565242 /nfs/dbraw/zinc/56/52/42/891565242.db2.gz YVZOHRLFNUDPRF-OAHLLOKOSA-N 0 3 359.430 1.946 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265786872 892885087 /nfs/dbraw/zinc/88/50/87/892885087.db2.gz KXCIWSAPAKNUDC-UHFFFAOYSA-N 0 3 362.474 1.968 20 5 FDBDHN CN(CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000273668621 897244771 /nfs/dbraw/zinc/24/47/71/897244771.db2.gz XGGDTJGJTIXBOU-UHFFFAOYSA-N 0 3 356.430 1.639 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000733160797 920707373 /nfs/dbraw/zinc/70/73/73/920707373.db2.gz TTZJEQSXOFJHRU-HNNXBMFYSA-N 0 3 363.414 1.977 20 5 FDBDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000743980293 926535777 /nfs/dbraw/zinc/53/57/77/926535777.db2.gz KXOBLTJXLLSNTO-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN CCN(C)C(=O)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000805761976 938826092 /nfs/dbraw/zinc/82/60/92/938826092.db2.gz LRUVLRKZNALBCS-UKRRQHHQSA-N 0 3 369.422 1.095 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000822880295 945282294 /nfs/dbraw/zinc/28/22/94/945282294.db2.gz ZYSREEBBKBRMOL-GJZGRUSLSA-N 0 3 371.397 1.578 20 5 FDBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001132137409 940965453 /nfs/dbraw/zinc/96/54/53/940965453.db2.gz JHVNXUPDIZHREB-CQSZACIVSA-N 0 3 371.401 1.317 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813104237 941326293 /nfs/dbraw/zinc/32/62/93/941326293.db2.gz KPGJYAFBOIQOHL-ZYHUDNBSSA-N 0 3 350.327 1.228 20 5 FDBDHN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106398 941333885 /nfs/dbraw/zinc/33/38/85/941333885.db2.gz CLHJEDIPDMUBCD-MNOVXSKESA-N 0 3 359.404 1.188 20 5 FDBDHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106699 941333942 /nfs/dbraw/zinc/33/39/42/941333942.db2.gz GOINHCVVSQFNIJ-HIFRSBDPSA-N 0 3 372.443 1.896 20 5 FDBDHN CC(COC(=O)Cc1cc2c(cc1Br)OCCO2)[N+](=O)[O-] ZINC000813109896 941334247 /nfs/dbraw/zinc/33/42/47/941334247.db2.gz QBFUHWGLPQEKJA-QMMMGPOBSA-N 0 3 360.160 1.971 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@@H]2C1 ZINC000816949532 942397197 /nfs/dbraw/zinc/39/71/97/942397197.db2.gz YUCLRILXKYVVIN-GZMMTYOYSA-N 0 3 355.192 1.528 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000818008654 943143282 /nfs/dbraw/zinc/14/32/82/943143282.db2.gz WODZGRYHXXGUEK-HNNXBMFYSA-N 0 3 362.430 1.549 20 5 FDBDHN O=C1[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000819182004 943465207 /nfs/dbraw/zinc/46/52/07/943465207.db2.gz GFPMJRNJOPAMDQ-CHWSQXEVSA-N 0 3 361.320 1.771 20 5 FDBDHN Cn1ccnc1CN1CCC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819221980 943494072 /nfs/dbraw/zinc/49/40/72/943494072.db2.gz KMMGUVVAKHLTRT-JKSUJKDBSA-N 0 3 373.413 1.143 20 5 FDBDHN O=C1[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccn1 ZINC000819223597 943495652 /nfs/dbraw/zinc/49/56/52/943495652.db2.gz HMRHFPKLWCUWOC-MSOLQXFVSA-N 0 3 370.409 1.804 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000820990144 944289071 /nfs/dbraw/zinc/28/90/71/944289071.db2.gz JVRSHXPXLZKNGG-CYBMUJFWSA-N 0 3 353.444 1.893 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000821019347 944301024 /nfs/dbraw/zinc/30/10/24/944301024.db2.gz LEPXDJHNXONAKL-INIZCTEOSA-N 0 3 374.441 1.590 20 5 FDBDHN CC([C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872727 950042066 /nfs/dbraw/zinc/04/20/66/950042066.db2.gz MVZMXALGXMQPPD-UHIISALHSA-N 0 3 353.350 1.866 20 5 FDBDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCn2cc([N+](=O)[O-])ccc2=O)no1 ZINC001197240046 972168653 /nfs/dbraw/zinc/16/86/53/972168653.db2.gz RZVJIYRREHSPHB-AGUYFDCRSA-N 0 3 359.386 1.859 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(C(N)=O)CCOCC2)c1F ZINC001173185604 961955240 /nfs/dbraw/zinc/95/52/40/961955240.db2.gz AZVYCBJTXJHFPZ-SNVBAGLBSA-N 0 3 355.366 1.298 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1C1OCCO1 ZINC001176639474 963495112 /nfs/dbraw/zinc/49/51/12/963495112.db2.gz HLPIWQMZPBTUGR-CQSZACIVSA-N 0 3 365.386 1.769 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CNCCO3)CC2)c(C(F)(F)F)c1 ZINC000852744869 967575001 /nfs/dbraw/zinc/57/50/01/967575001.db2.gz KBFKEFPVIYEIOT-ZDUSSCGKSA-N 0 3 374.363 1.724 20 5 FDBDHN Cc1noc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)c1[N+](=O)[O-] ZINC000853888978 968404522 /nfs/dbraw/zinc/40/45/22/968404522.db2.gz LNLLXBZTUUZVOY-XPUUQOCRSA-N 0 3 351.237 1.392 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112917533 970092265 /nfs/dbraw/zinc/09/22/65/970092265.db2.gz HJHYDMMSFLTOJO-GFCCVEGCSA-N 0 3 365.390 1.259 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000867443110 976149632 /nfs/dbraw/zinc/14/96/32/976149632.db2.gz CDLJCBBHTMRWII-INIZCTEOSA-N 0 3 374.441 1.606 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850683686 978606841 /nfs/dbraw/zinc/60/68/41/978606841.db2.gz RSBAAZLKNUTWDJ-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000881775783 980130669 /nfs/dbraw/zinc/13/06/69/980130669.db2.gz MUYVIQRXVRNUER-UHFFFAOYSA-N 0 3 361.446 1.536 20 5 FDBDHN COc1ccc2ncc([N+](=O)[O-])c(N3CC(CN4CCN(C)CC4)C3)c2c1 ZINC000884547997 983236873 /nfs/dbraw/zinc/23/68/73/983236873.db2.gz ZSFXIAWKPNIOBO-UHFFFAOYSA-N 0 3 371.441 1.835 20 5 FDBDHN COC(=O)c1cnn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000860854488 983539198 /nfs/dbraw/zinc/53/91/98/983539198.db2.gz BEYLJBQIENCYLL-BMIGLBTASA-N 0 3 365.317 1.759 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862189078 984220569 /nfs/dbraw/zinc/22/05/69/984220569.db2.gz RKJREWDPDLXRHZ-UHFFFAOYSA-N 0 3 372.425 1.840 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000360827689 988167228 /nfs/dbraw/zinc/16/72/28/988167228.db2.gz DSWGSMAFCQGWRN-STQMWFEESA-N 0 3 356.382 1.736 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363207100 988993191 /nfs/dbraw/zinc/99/31/91/988993191.db2.gz XHQMWKIKBAZZGF-CHWSQXEVSA-N 0 3 364.358 1.404 20 5 FDBDHN NC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)Cc2ccccc2C1 ZINC000364237844 989521483 /nfs/dbraw/zinc/52/14/83/989521483.db2.gz AQUJLMIJIBBGRS-OAHLLOKOSA-N 0 3 367.409 1.499 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000364646797 989696499 /nfs/dbraw/zinc/69/64/99/989696499.db2.gz NPARSVZBNQXIQI-UHFFFAOYSA-N 0 3 364.446 1.626 20 5 FDBDHN O=C(CN1CC[C@](O)(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000370665193 989924596 /nfs/dbraw/zinc/92/45/96/989924596.db2.gz AKQSYOSGXCIOEC-LJQANCHMSA-N 0 3 374.441 1.090 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000298177398 989943355 /nfs/dbraw/zinc/94/33/55/989943355.db2.gz RFNZGDLYUJDIJP-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000298487231 990128433 /nfs/dbraw/zinc/12/84/33/990128433.db2.gz HFPSYXXYKVYIQS-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000874832339 990555889 /nfs/dbraw/zinc/55/58/89/990555889.db2.gz DWXHIKINESSEOJ-BBWFWOEESA-N 0 3 358.398 1.783 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000372564967 991218629 /nfs/dbraw/zinc/21/86/29/991218629.db2.gz AVCUXKFEIFSDCC-WBHUJUFNSA-N 0 3 362.430 1.655 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373104260 991922812 /nfs/dbraw/zinc/92/28/12/991922812.db2.gz NCNFUWBJVHIETP-CHWSQXEVSA-N 0 3 374.401 1.134 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413099785 993094002 /nfs/dbraw/zinc/09/40/02/993094002.db2.gz BMQVFRVFRIAFEK-KRWDZBQOSA-N 0 3 371.441 2.498 20 5 FDBDHN Cc1c(CN2CCC(C(=O)N3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000877521928 993318511 /nfs/dbraw/zinc/31/85/11/993318511.db2.gz GJRLVHSKTWALBC-UHFFFAOYSA-N 0 3 360.458 1.889 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467715327 993359570 /nfs/dbraw/zinc/35/95/70/993359570.db2.gz MFYPRCVCIVDQMQ-PXAZEXFGSA-N 0 3 355.398 1.993 20 5 FDBDHN COc1cccc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCN2)c1 ZINC000879523734 994975753 /nfs/dbraw/zinc/97/57/53/994975753.db2.gz GGIXAHYBGDNBMO-KRWDZBQOSA-N 0 3 358.398 1.412 20 5 FDBDHN Cc1cc(OCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889757967 998609723 /nfs/dbraw/zinc/60/97/23/998609723.db2.gz ZEWIEQUYKWLXPJ-IRXDYDNUSA-N 0 3 363.414 1.340 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889778686 998649879 /nfs/dbraw/zinc/64/98/79/998649879.db2.gz BERYBDGSRPYRIC-SJORKVTESA-N 0 3 374.441 1.840 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000826678857 998821307 /nfs/dbraw/zinc/82/13/07/998821307.db2.gz LKSQTGBRFMHOIL-AWEZNQCLSA-N 0 3 365.434 1.202 20 5 FDBDHN COc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000270258589 999532110 /nfs/dbraw/zinc/53/21/10/999532110.db2.gz RHDFIPICIXGAGU-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](N2CCCC2=O)C1 ZINC000270983796 999644753 /nfs/dbraw/zinc/64/47/53/999644753.db2.gz XNRVLHCFSNMEOI-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CO)CN1CCCCC1 ZINC000288451096 1000018381 /nfs/dbraw/zinc/01/83/81/1000018381.db2.gz JIRLWGMHIQDQNL-CQSZACIVSA-N 0 3 360.414 1.582 20 5 FDBDHN Cn1ccc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932132308 1004784148 /nfs/dbraw/zinc/78/41/48/1004784148.db2.gz GREHDZPUKDFEIR-HUUCEWRRSA-N 0 3 360.414 1.948 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704076 1005111232 /nfs/dbraw/zinc/11/12/32/1005111232.db2.gz SETRVUMYKMQWKU-OLMNPRSZSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778230573 1005711060 /nfs/dbraw/zinc/71/10/60/1005711060.db2.gz CMMZJRLIRQNNBK-DGCLKSJQSA-N 0 3 361.320 1.629 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935445811 1005913044 /nfs/dbraw/zinc/91/30/44/1005913044.db2.gz OQPSLNIFXGWPTR-FHLIZLRMSA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507655128 538921103 /nfs/dbraw/zinc/92/11/03/538921103.db2.gz JSGPYNKOHLXJNA-UHFFFAOYSA-N 0 3 350.419 1.888 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193293189 178155868 /nfs/dbraw/zinc/15/58/68/178155868.db2.gz IOZAXAICKXRZLC-SKDRFNHKSA-N 0 3 361.395 1.538 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520564 178363442 /nfs/dbraw/zinc/36/34/42/178363442.db2.gz JQISUZIPZWCDDT-RTBURBONSA-N 0 3 362.474 1.730 20 5 FDBDHN CCN1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000509508632 538950928 /nfs/dbraw/zinc/95/09/28/538950928.db2.gz GUKGLZZIEYSXHF-UHFFFAOYSA-N 0 3 366.437 1.765 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264880798 179229167 /nfs/dbraw/zinc/22/91/67/179229167.db2.gz IAOCNVXOKJOBPW-ROJDOSBLSA-N 0 3 360.458 1.998 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@H](C)O1 ZINC000524224039 539637256 /nfs/dbraw/zinc/63/72/56/539637256.db2.gz RYDAXYSMSSHPQF-OKILXGFUSA-N 0 3 364.446 1.895 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000269806706 180394328 /nfs/dbraw/zinc/39/43/28/180394328.db2.gz LULDZSLUASRZFY-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000272725417 180789439 /nfs/dbraw/zinc/78/94/39/180789439.db2.gz YMXXOFABFHNZBC-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN CCN(CCO)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000274618571 181133452 /nfs/dbraw/zinc/13/34/52/181133452.db2.gz FEUAINRKMHUKLJ-UHFFFAOYSA-N 0 3 352.435 1.531 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000274602548 181130624 /nfs/dbraw/zinc/13/06/24/181130624.db2.gz LLFSUTQQGDJRLA-UHFFFAOYSA-N 0 3 363.370 1.758 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530820061 540049910 /nfs/dbraw/zinc/04/99/10/540049910.db2.gz UGIREEFZLHSIRV-DGCLKSJQSA-N 0 3 352.439 1.285 20 5 FDBDHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934264442 781935580 /nfs/dbraw/zinc/93/55/80/781935580.db2.gz OFQCSXAJJCDQFK-ZWKOTPCHSA-N 0 3 374.441 1.015 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535700883 540494906 /nfs/dbraw/zinc/49/49/06/540494906.db2.gz ZNVSIUFKULFJBU-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000538381027 540849975 /nfs/dbraw/zinc/84/99/75/540849975.db2.gz WYIVKSVTSMUHIR-UONOGXRCSA-N 0 3 352.460 1.819 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)CCO1 ZINC000539051527 540920792 /nfs/dbraw/zinc/92/07/92/540920792.db2.gz LVFTWQFPJRMXHC-CHWSQXEVSA-N 0 3 374.484 1.869 20 5 FDBDHN CCO[C@@H]1C[C@@](CO)(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000275455866 181322287 /nfs/dbraw/zinc/32/22/87/181322287.db2.gz BGZOWWFMVOJEKG-KYJSFNMBSA-N 0 3 368.430 1.490 20 5 FDBDHN COc1ccc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000540688989 541089042 /nfs/dbraw/zinc/08/90/42/541089042.db2.gz XIKACIHYEIPJNF-CJNGLKHVSA-N 0 3 370.427 1.429 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542506887 541417338 /nfs/dbraw/zinc/41/73/38/541417338.db2.gz NOUORGVXRQNUKY-OAHLLOKOSA-N 0 3 370.413 1.281 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543761651 541656242 /nfs/dbraw/zinc/65/62/42/541656242.db2.gz ZLUYOQSIMQQXEY-STQMWFEESA-N 0 3 368.459 1.921 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000544462508 541770915 /nfs/dbraw/zinc/77/09/15/541770915.db2.gz YLQJCRDPFCVSAL-ZDUSSCGKSA-N 0 3 364.402 1.102 20 5 FDBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCOC1 ZINC000544471708 541772617 /nfs/dbraw/zinc/77/26/17/541772617.db2.gz AMVONNXQQCXRRH-QWRGUYRKSA-N 0 3 351.359 1.667 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)C1CC1 ZINC000282428856 182009658 /nfs/dbraw/zinc/00/96/58/182009658.db2.gz IYWSRRGAJCVDHR-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282636588 182035679 /nfs/dbraw/zinc/03/56/79/182035679.db2.gz WVUBTYPXZDSELT-UHFFFAOYSA-N 0 3 370.381 1.065 20 5 FDBDHN COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000282862337 182067849 /nfs/dbraw/zinc/06/78/49/182067849.db2.gz QLVMHSQKUSJTTR-SJKOYZFVSA-N 0 3 366.414 1.966 20 5 FDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286632912 183115161 /nfs/dbraw/zinc/11/51/61/183115161.db2.gz AYOCBMPNAOVPMN-DZGCQCFKSA-N 0 3 370.413 1.874 20 5 FDBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000294679740 184000519 /nfs/dbraw/zinc/00/05/19/184000519.db2.gz BDHAZNMZOCCSIQ-ROUUACIJSA-N 0 3 371.441 1.900 20 5 FDBDHN CSC1C(=O)Nc2ccc(-c3noc(Cn4cnc([N+](=O)[O-])n4)n3)cc21 ZINC000547208308 542286200 /nfs/dbraw/zinc/28/62/00/542286200.db2.gz NROQYQGUPFOWCQ-NSHDSACASA-N 0 3 373.354 1.641 20 5 FDBDHN C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN(C2CC2)C1 ZINC000296526783 184174982 /nfs/dbraw/zinc/17/49/82/184174982.db2.gz CQMHLWOGHZFJLD-AWEZNQCLSA-N 0 3 358.442 1.900 20 5 FDBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000296570953 184179566 /nfs/dbraw/zinc/17/95/66/184179566.db2.gz QKNVRBWIFRPHON-ZDUSSCGKSA-N 0 3 372.447 1.673 20 5 FDBDHN CC1(C)C[C@@H](NC[C@]2(O)CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296587653 184181297 /nfs/dbraw/zinc/18/12/97/184181297.db2.gz UTXRHCAVWDGTSE-GDBMZVCRSA-N 0 3 354.428 1.456 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296865468 184208876 /nfs/dbraw/zinc/20/88/76/184208876.db2.gz JSGJEAXNQKHTTC-VXGBXAGGSA-N 0 3 366.393 1.922 20 5 FDBDHN CN(C)C1(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000297028505 184227636 /nfs/dbraw/zinc/22/76/36/184227636.db2.gz WJYGDPYBQRLUQR-UHFFFAOYSA-N 0 3 362.434 1.306 20 5 FDBDHN COC(=O)Cc1ccc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000297407802 184267614 /nfs/dbraw/zinc/26/76/14/184267614.db2.gz GGFAGRQUFAVYTD-LSDHHAIUSA-N 0 3 353.444 1.792 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000297698302 184308710 /nfs/dbraw/zinc/30/87/10/184308710.db2.gz ARGSTIYNAMWGKY-LBPRGKRZSA-N 0 3 362.430 1.998 20 5 FDBDHN O=C(CN1CCN(CC2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172424000 258276288 /nfs/dbraw/zinc/27/62/88/258276288.db2.gz NIRBTCNXJOQERA-UHFFFAOYSA-N 0 3 362.430 1.578 20 5 FDBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137849 172074103 /nfs/dbraw/zinc/07/41/03/172074103.db2.gz QCYPIFHJFUOYHG-CQSZACIVSA-N 0 3 366.487 1.687 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455758 172218087 /nfs/dbraw/zinc/21/80/87/172218087.db2.gz QPRKTBPRHVCJTD-GASCZTMLSA-N 0 3 365.430 1.979 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548903 172266985 /nfs/dbraw/zinc/26/69/85/172266985.db2.gz QVPNGLIKUNRFAU-MRXNPFEDSA-N 0 3 356.426 1.963 20 5 FDBDHN COc1ccc(OCCN2CCCC[C@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125433162 173005837 /nfs/dbraw/zinc/00/58/37/173005837.db2.gz PJMPNRMXXDWNFM-HIFRSBDPSA-N 0 3 363.414 1.973 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129938290 173154716 /nfs/dbraw/zinc/15/47/16/173154716.db2.gz GTINDELABWRBQS-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN Cc1ccc(NCCCNC(=O)C[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000133040876 173252022 /nfs/dbraw/zinc/25/20/22/173252022.db2.gz OGCLRUNDFKAVLK-ZDUSSCGKSA-N 0 3 352.460 1.917 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000135171676 173340612 /nfs/dbraw/zinc/34/06/12/173340612.db2.gz DRBNBIYAZNHSHU-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135262702 173341367 /nfs/dbraw/zinc/34/13/67/173341367.db2.gz YKDFPYAMFWQNLZ-AWEZNQCLSA-N 0 3 364.377 1.288 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000137534046 173372020 /nfs/dbraw/zinc/37/20/20/173372020.db2.gz UGJIWRNKJCYNOE-ZBFHGGJFSA-N 0 3 357.414 1.961 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000175822561 174030863 /nfs/dbraw/zinc/03/08/63/174030863.db2.gz DXEQUCMNHIRLHP-VHDGCEQUSA-N 0 3 366.443 1.802 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000176553072 174076526 /nfs/dbraw/zinc/07/65/26/174076526.db2.gz VVQVTLJHMIFBKP-CABCVRRESA-N 0 3 361.398 1.871 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000178481473 174190320 /nfs/dbraw/zinc/19/03/20/174190320.db2.gz CQSJYBGQEHMLFO-OAHLLOKOSA-N 0 3 365.430 1.636 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580406 174195286 /nfs/dbraw/zinc/19/52/86/174195286.db2.gz YAOYNAWBNJAENE-QGZVFWFLSA-N 0 3 364.446 1.018 20 5 FDBDHN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000181348457 174219212 /nfs/dbraw/zinc/21/92/12/174219212.db2.gz FLHLJMDTDTYSPL-OAHLLOKOSA-N 0 3 374.441 1.742 20 5 FDBDHN CN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000180132730 258363046 /nfs/dbraw/zinc/36/30/46/258363046.db2.gz BQVSEMWOFKJMJT-QAPCUYQASA-N 0 3 356.382 1.318 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180174490 258363545 /nfs/dbraw/zinc/36/35/45/258363545.db2.gz HFIDXZOSWXZCMG-NVXWUHKLSA-N 0 3 367.471 1.883 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000178978862 258341708 /nfs/dbraw/zinc/34/17/08/258341708.db2.gz LFYLKHQJYVOVMD-XHDPSFHLSA-N 0 3 357.432 1.789 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000180875244 258377252 /nfs/dbraw/zinc/37/72/52/258377252.db2.gz JXFUQHBYEQPRTR-MRXNPFEDSA-N 0 3 373.413 1.064 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000248460225 258399989 /nfs/dbraw/zinc/39/99/89/258399989.db2.gz OGZNWOGRRQMWGW-GDBMZVCRSA-N 0 3 350.350 1.445 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000554028336 543735385 /nfs/dbraw/zinc/73/53/85/543735385.db2.gz GALWYDZTCXGRQJ-UKRRQHHQSA-N 0 3 374.441 1.685 20 5 FDBDHN COc1cc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000554247667 543768694 /nfs/dbraw/zinc/76/86/94/543768694.db2.gz NSACFXFTTQWRQX-DGCLKSJQSA-N 0 3 367.402 1.139 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000554720168 543859691 /nfs/dbraw/zinc/85/96/91/543859691.db2.gz KPOAXPMSDLDJBB-CABCVRRESA-N 0 3 373.413 1.383 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCCCC1 ZINC000554790254 543871860 /nfs/dbraw/zinc/87/18/60/543871860.db2.gz XTQKQAACXMZYEF-AWEZNQCLSA-N 0 3 366.466 1.819 20 5 FDBDHN CN1CCC(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000555674572 544002171 /nfs/dbraw/zinc/00/21/71/544002171.db2.gz KUHHNTPHRUBYCT-UHFFFAOYSA-N 0 3 360.414 1.296 20 5 FDBDHN CCN(CCN1CCCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000558029149 544374767 /nfs/dbraw/zinc/37/47/67/544374767.db2.gz GCSJYTJPVLWFJS-UHFFFAOYSA-N 0 3 350.419 1.481 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000558492374 544449598 /nfs/dbraw/zinc/44/95/98/544449598.db2.gz CTFUJRDCLSBNJO-AWEZNQCLSA-N 0 3 352.387 1.787 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000558732133 544519668 /nfs/dbraw/zinc/51/96/68/544519668.db2.gz QDYLXEKHAJXRAR-GDBMZVCRSA-N 0 3 373.413 1.383 20 5 FDBDHN CCN1CC[C@H]2OCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000559301681 544635838 /nfs/dbraw/zinc/63/58/38/544635838.db2.gz GENKHDMOYWZMIW-QILLFSRXSA-N 0 3 365.430 1.130 20 5 FDBDHN CCCNC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299477841 259000275 /nfs/dbraw/zinc/00/02/75/259000275.db2.gz YIVNWBNYUYPRPF-GOEBONIOSA-N 0 3 365.430 1.573 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)N(C)C1 ZINC000332210168 259249483 /nfs/dbraw/zinc/24/94/83/259249483.db2.gz UOPOJVVWBIANII-ULQDDVLXSA-N 0 3 362.430 1.351 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000332497808 259271037 /nfs/dbraw/zinc/27/10/37/259271037.db2.gz YQBJCHITNFGYJA-CYBMUJFWSA-N 0 3 364.450 1.052 20 5 FDBDHN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367142694 260000631 /nfs/dbraw/zinc/00/06/31/260000631.db2.gz ZUQVTTPQKJWUMA-HOTGVXAUSA-N 0 3 362.430 1.622 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367452707 260044246 /nfs/dbraw/zinc/04/42/46/260044246.db2.gz VTRDUXCLMOEECX-DYVFJYSZSA-N 0 3 362.386 1.189 20 5 FDBDHN Cc1ccccc1CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000368405701 260178564 /nfs/dbraw/zinc/17/85/64/260178564.db2.gz UMOQZGJRRPQLBB-IBGZPJMESA-N 0 3 373.457 1.669 20 5 FDBDHN CCOC(=O)c1ccnc(N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368718838 260226585 /nfs/dbraw/zinc/22/65/85/260226585.db2.gz KYTPQKVQNBSGKP-UHFFFAOYSA-N 0 3 366.418 1.450 20 5 FDBDHN CC(C)NC(=O)c1ccc(N2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000368973590 260270330 /nfs/dbraw/zinc/27/03/30/260270330.db2.gz KKJOVMLCJSTOCD-AWEZNQCLSA-N 0 3 364.446 1.626 20 5 FDBDHN Cc1sc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369278269 260331963 /nfs/dbraw/zinc/33/19/63/260331963.db2.gz PZAOBYUSAZHBNO-GFCCVEGCSA-N 0 3 352.460 1.863 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000373586143 261022419 /nfs/dbraw/zinc/02/24/19/261022419.db2.gz QKRWEPLDLBCEMO-SJLPKXTDSA-N 0 3 358.398 1.674 20 5 FDBDHN CCc1nccc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374121673 261081374 /nfs/dbraw/zinc/08/13/74/261081374.db2.gz OGJRQDQZMWQLOP-UKRRQHHQSA-N 0 3 360.418 1.384 20 5 FDBDHN COc1ccc([C@H](O)[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000376493555 261578818 /nfs/dbraw/zinc/57/88/18/261578818.db2.gz WNOOFCKQPSFGOC-HKUYNNGSSA-N 0 3 373.409 1.963 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)n1 ZINC000378586426 262049663 /nfs/dbraw/zinc/04/96/63/262049663.db2.gz GIKLMTCATVDBEE-UHFFFAOYSA-N 0 3 360.374 1.449 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000271127378 674312670 /nfs/dbraw/zinc/31/26/70/674312670.db2.gz MCYZLVFEPORRFC-GXTWGEPZSA-N 0 3 369.443 1.730 20 5 FDBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1 ZINC000015131494 518711121 /nfs/dbraw/zinc/71/11/21/518711121.db2.gz STKFEZSIBNAEFD-OAHLLOKOSA-N 0 3 364.427 1.957 20 5 FDBDHN CN1CCC(N(Cc2ccco2)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068985945 521775871 /nfs/dbraw/zinc/77/58/71/521775871.db2.gz HJZKYLKVDUIACY-UHFFFAOYSA-N 0 3 361.402 1.897 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000058877554 522311363 /nfs/dbraw/zinc/31/13/63/522311363.db2.gz KENVHCWLPVXMTN-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000075324934 522904293 /nfs/dbraw/zinc/90/42/93/522904293.db2.gz BGTHZZNINSIYSG-MRXNPFEDSA-N 0 3 372.429 1.557 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000051535933 523035443 /nfs/dbraw/zinc/03/54/43/523035443.db2.gz BGMVVPVZNSDNDK-UHFFFAOYSA-N 0 3 363.418 1.517 20 5 FDBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136779 523331397 /nfs/dbraw/zinc/33/13/97/523331397.db2.gz NZAIWSCVYCVSFF-GFCCVEGCSA-N 0 3 356.386 1.390 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067300416 523383109 /nfs/dbraw/zinc/38/31/09/523383109.db2.gz DQMTZOXRCVJDCP-OAHLLOKOSA-N 0 3 358.402 1.732 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000067486846 523469123 /nfs/dbraw/zinc/46/91/23/523469123.db2.gz UFWGWHALVIORNZ-AWEZNQCLSA-N 0 3 366.418 1.818 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111608513 524309823 /nfs/dbraw/zinc/30/98/23/524309823.db2.gz PPEGTSRFDVNMQN-UHFFFAOYSA-N 0 3 358.398 1.850 20 5 FDBDHN NC(=O)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000112201100 524424146 /nfs/dbraw/zinc/42/41/46/524424146.db2.gz JLBRNEWGSVPMHQ-CQSZACIVSA-N 0 3 362.430 1.238 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000158232877 524426870 /nfs/dbraw/zinc/42/68/70/524426870.db2.gz IZGXXJVHZCTBBC-AWEZNQCLSA-N 0 3 372.425 1.966 20 5 FDBDHN COc1ccc(OCCN2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000173638178 524427002 /nfs/dbraw/zinc/42/70/02/524427002.db2.gz XSANKZZJUVUSIW-UHFFFAOYSA-N 0 3 353.419 1.371 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000122125172 524458551 /nfs/dbraw/zinc/45/85/51/524458551.db2.gz DABGDQUYUMDWPK-UHFFFAOYSA-N 0 3 367.475 1.810 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000122327112 524509961 /nfs/dbraw/zinc/50/99/61/524509961.db2.gz OKFWUMGWAJMUTC-HOCLYGCPSA-N 0 3 353.444 1.841 20 5 FDBDHN COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCC1 ZINC000158939238 524558023 /nfs/dbraw/zinc/55/80/23/524558023.db2.gz AGTIKNXWHXAVSA-ZDUSSCGKSA-N 0 3 359.386 1.893 20 5 FDBDHN C[C@@H](CCn1cccn1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159050504 524583318 /nfs/dbraw/zinc/58/33/18/524583318.db2.gz QPYQXWKWNSDIAY-ZDUSSCGKSA-N 0 3 367.431 1.138 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000122695284 524594170 /nfs/dbraw/zinc/59/41/70/524594170.db2.gz DSCVWNHQGQVNCW-OLZOCXBDSA-N 0 3 358.402 1.730 20 5 FDBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090522888 524600868 /nfs/dbraw/zinc/60/08/68/524600868.db2.gz VNYQVQBSSPQWQN-AWEZNQCLSA-N 0 3 364.446 1.629 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000090539927 524601169 /nfs/dbraw/zinc/60/11/69/524601169.db2.gz YJMFHKAJYRXPTL-CRAIPNDOSA-N 0 3 359.430 1.670 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(CC3CCCCC3)CC2)c1 ZINC000174762819 524727775 /nfs/dbraw/zinc/72/77/75/524727775.db2.gz GHAMEMGOWMWJPF-QGZVFWFLSA-N 0 3 351.451 1.350 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000160112870 524812571 /nfs/dbraw/zinc/81/25/71/524812571.db2.gz RYBJEIUDLWAAEF-CYBMUJFWSA-N 0 3 366.466 1.274 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000124156084 524917262 /nfs/dbraw/zinc/91/72/62/524917262.db2.gz TUOSDBXGQFCNSB-UHFFFAOYSA-N 0 3 358.398 1.789 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152659623 524961840 /nfs/dbraw/zinc/96/18/40/524961840.db2.gz BPYHCJIMXRZOQP-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000116448131 525154040 /nfs/dbraw/zinc/15/40/40/525154040.db2.gz QXDUJPREAIJYRH-ZDUSSCGKSA-N 0 3 361.402 1.294 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)cc1 ZINC000161738557 525160239 /nfs/dbraw/zinc/16/02/39/525160239.db2.gz IGIJPNIVYBPKKI-CQSZACIVSA-N 0 3 357.432 1.110 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000162202859 525227896 /nfs/dbraw/zinc/22/78/96/525227896.db2.gz RGSPDVVVLHPBHZ-OAHLLOKOSA-N 0 3 366.849 1.987 20 5 FDBDHN CN(C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000177477399 525298104 /nfs/dbraw/zinc/29/81/04/525298104.db2.gz XHURVKXGSYHWPY-QWHCGFSZSA-N 0 3 369.443 1.601 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118096830 525440022 /nfs/dbraw/zinc/44/00/22/525440022.db2.gz KVPPIJQPBAIQCN-LLVKDONJSA-N 0 3 354.794 1.787 20 5 FDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000154369320 525510984 /nfs/dbraw/zinc/51/09/84/525510984.db2.gz ZJRMBZHNSZEYGN-CQSZACIVSA-N 0 3 350.419 1.383 20 5 FDBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128455795 525544159 /nfs/dbraw/zinc/54/41/59/525544159.db2.gz LSFRWFHVRACEAV-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119449002 525748240 /nfs/dbraw/zinc/74/82/40/525748240.db2.gz BRBFKLPOTAITPX-YGRLFVJLSA-N 0 3 368.821 1.985 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171088510 525834851 /nfs/dbraw/zinc/83/48/51/525834851.db2.gz WMBLVEKEYLRFIM-WBVHZDCISA-N 0 3 374.441 1.718 20 5 FDBDHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000131745741 525899529 /nfs/dbraw/zinc/89/95/29/525899529.db2.gz LUPLHHNMCWHRQV-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155594359 525916434 /nfs/dbraw/zinc/91/64/34/525916434.db2.gz COIJFIXPIDVNKJ-ZDUSSCGKSA-N 0 3 372.429 1.837 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1C ZINC000120320775 526029948 /nfs/dbraw/zinc/02/99/48/526029948.db2.gz HJRZBBRXYHSNMP-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)c1[N+](=O)[O-] ZINC000171809757 526130778 /nfs/dbraw/zinc/13/07/78/526130778.db2.gz PSMDSELXUWLQTO-UHFFFAOYSA-N 0 3 360.374 1.246 20 5 FDBDHN C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182405786 526162022 /nfs/dbraw/zinc/16/20/22/526162022.db2.gz DZPVBCZVHJXIBR-HNNXBMFYSA-N 0 3 363.462 1.935 20 5 FDBDHN CN(CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000183649181 536022085 /nfs/dbraw/zinc/02/20/85/536022085.db2.gz IWMIAPXMSVRGPU-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)c2cccc(Br)c2)c1 ZINC000183888609 536062918 /nfs/dbraw/zinc/06/29/18/536062918.db2.gz INRHKOFBVSDJEV-CYBMUJFWSA-N 0 3 355.192 1.877 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184207971 536114626 /nfs/dbraw/zinc/11/46/26/536114626.db2.gz CNNNCNHBKQASPN-UHFFFAOYSA-N 0 3 352.410 1.880 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000184375933 536141571 /nfs/dbraw/zinc/14/15/71/536141571.db2.gz JSJWINXONYJFRC-OAHLLOKOSA-N 0 3 363.462 1.539 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCN(CC)CC1 ZINC000184786988 536183781 /nfs/dbraw/zinc/18/37/81/536183781.db2.gz NSJITTWJFTZGPZ-QGZVFWFLSA-N 0 3 362.474 1.917 20 5 FDBDHN CC(C)(C)OC(=O)NC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000185232513 536203160 /nfs/dbraw/zinc/20/31/60/536203160.db2.gz DDWGDHGVDWEJEE-AWEZNQCLSA-N 0 3 366.418 1.649 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)c1 ZINC000185830363 536218773 /nfs/dbraw/zinc/21/87/73/536218773.db2.gz TYFBZPWZSJQYHT-AWEZNQCLSA-N 0 3 357.432 1.110 20 5 FDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186904948 536248081 /nfs/dbraw/zinc/24/80/81/536248081.db2.gz LDUIYVRXMLSDLS-SNVBAGLBSA-N 0 3 363.411 1.751 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188057816 536281494 /nfs/dbraw/zinc/28/14/94/536281494.db2.gz VGOZRQJHWOAHBF-ZDUSSCGKSA-N 0 3 362.430 1.656 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000246413008 536947685 /nfs/dbraw/zinc/94/76/85/536947685.db2.gz CDJLEXJSQBUJCX-CFVMTHIKSA-N 0 3 350.375 1.333 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000189716321 537084701 /nfs/dbraw/zinc/08/47/01/537084701.db2.gz VKBULOVVAOXRAQ-CQSZACIVSA-N 0 3 351.403 1.969 20 5 FDBDHN COC(=O)c1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000247310428 537105930 /nfs/dbraw/zinc/10/59/30/537105930.db2.gz QSDCMYAMSUUDNI-BLLLJJGKSA-N 0 3 361.398 1.938 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000263842507 537114962 /nfs/dbraw/zinc/11/49/62/537114962.db2.gz SSAVZTXPDGYANP-KRWDZBQOSA-N 0 3 374.441 1.718 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000247414429 537117613 /nfs/dbraw/zinc/11/76/13/537117613.db2.gz NLXVAZPNRRGEGP-XEZPLFJOSA-N 0 3 362.430 1.512 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264245691 537139318 /nfs/dbraw/zinc/13/93/18/537139318.db2.gz WHKTVJBJZGPGEW-UHFFFAOYSA-N 0 3 366.447 1.294 20 5 FDBDHN Nc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000265796055 537173436 /nfs/dbraw/zinc/17/34/36/537173436.db2.gz PJCBSTYFDMRZGT-UONOGXRCSA-N 0 3 358.402 1.262 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000249119449 537230570 /nfs/dbraw/zinc/23/05/70/537230570.db2.gz BRBFKLPOTAITPX-IINYFYTJSA-N 0 3 368.821 1.985 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278440672 537328433 /nfs/dbraw/zinc/32/84/33/537328433.db2.gz HNAYKEKFMMHYLZ-HNNXBMFYSA-N 0 3 364.446 1.648 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270726284 537373266 /nfs/dbraw/zinc/37/32/66/537373266.db2.gz IYTNCTASILXVLT-CHWSQXEVSA-N 0 3 354.388 1.621 20 5 FDBDHN C[C@@H]1CN(CCN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195309352 537395036 /nfs/dbraw/zinc/39/50/36/537395036.db2.gz VUEGCAJZZGGCID-OWCLPIDISA-N 0 3 367.446 1.376 20 5 FDBDHN C[C@@H]1CN(CCN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195309348 537395198 /nfs/dbraw/zinc/39/51/98/537395198.db2.gz VUEGCAJZZGGCID-XHSDSOJGSA-N 0 3 367.446 1.376 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000364779903 537398736 /nfs/dbraw/zinc/39/87/36/537398736.db2.gz PFKJWFHFVGCFHI-KRWDZBQOSA-N 0 3 362.386 1.806 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1N1CCCC1 ZINC000276295765 537400192 /nfs/dbraw/zinc/40/01/92/537400192.db2.gz WJVSROMVEXOWCW-HUUCEWRRSA-N 0 3 350.444 1.829 20 5 FDBDHN CSc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000294287654 537680534 /nfs/dbraw/zinc/68/05/34/537680534.db2.gz CLHZYZJMDNRIGR-AWEZNQCLSA-N 0 3 363.443 1.932 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292322047 537727553 /nfs/dbraw/zinc/72/75/53/537727553.db2.gz SZPKZKPMDFAIOK-GOSISDBHSA-N 0 3 361.398 1.939 20 5 FDBDHN C[NH2+]Cc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000404602801 537807509 /nfs/dbraw/zinc/80/75/09/537807509.db2.gz JUVZJXOFNIWBSS-UHFFFAOYSA-N 0 3 365.411 1.801 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419157877 537964123 /nfs/dbraw/zinc/96/41/23/537964123.db2.gz WXHGIWRDGSKVMQ-DMDPSCGWSA-N 0 3 364.402 1.001 20 5 FDBDHN Cc1c([C@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000372778447 538026179 /nfs/dbraw/zinc/02/61/79/538026179.db2.gz CGUCCTKNBSHEED-IRXDYDNUSA-N 0 3 362.474 1.960 20 5 FDBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000426887213 538146540 /nfs/dbraw/zinc/14/65/40/538146540.db2.gz TXTJAUKMROIFKC-ZDUSSCGKSA-N 0 3 362.386 1.487 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000432541291 538155504 /nfs/dbraw/zinc/15/55/04/538155504.db2.gz IKMYYOJHRDUSRY-CYBMUJFWSA-N 0 3 351.403 1.834 20 5 FDBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000444548552 538174476 /nfs/dbraw/zinc/17/44/76/538174476.db2.gz OPXOENRFYYDSDH-CYBMUJFWSA-N 0 3 374.397 1.731 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000446385155 538294262 /nfs/dbraw/zinc/29/42/62/538294262.db2.gz ZLGBOQUFBUDZLH-DDUZABMNSA-N 0 3 363.414 1.752 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000429096446 538333218 /nfs/dbraw/zinc/33/32/18/538333218.db2.gz DIORQPOKOSFVGM-ZIAGYGMSSA-N 0 3 360.418 1.643 20 5 FDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449669109 538426664 /nfs/dbraw/zinc/42/66/64/538426664.db2.gz UWZJCSSTAWIMOT-GFCCVEGCSA-N 0 3 352.297 1.576 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000454105552 538513947 /nfs/dbraw/zinc/51/39/47/538513947.db2.gz QICNWVGOFIZFEN-ZDUSSCGKSA-N 0 3 352.366 1.614 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000494669564 538573113 /nfs/dbraw/zinc/57/31/13/538573113.db2.gz CCVLKHJYZCAFPU-UHFFFAOYSA-N 0 3 358.398 1.789 20 5 FDBDHN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000560563320 545545302 /nfs/dbraw/zinc/54/53/02/545545302.db2.gz OHMXPQBNDCAHQW-VXGBXAGGSA-N 0 3 368.459 1.258 20 5 FDBDHN CC(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000495378745 538656374 /nfs/dbraw/zinc/65/63/74/538656374.db2.gz FOLLQTRDXSIPQY-UKRRQHHQSA-N 0 3 359.390 1.182 20 5 FDBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000495378744 538657924 /nfs/dbraw/zinc/65/79/24/538657924.db2.gz FOLLQTRDXSIPQY-HIFRSBDPSA-N 0 3 359.390 1.182 20 5 FDBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000487901227 538687478 /nfs/dbraw/zinc/68/74/78/538687478.db2.gz WYBVDXBUHMXWSP-UHFFFAOYSA-N 0 3 358.398 1.510 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488932938 538775780 /nfs/dbraw/zinc/77/57/80/538775780.db2.gz JFKQXXQTPWCDTI-GFCCVEGCSA-N 0 3 351.359 1.164 20 5 FDBDHN CC(C)(C)OC1CC(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000490129987 538850868 /nfs/dbraw/zinc/85/08/68/538850868.db2.gz IHIQJPBIEIDGKR-UHFFFAOYSA-N 0 3 371.459 1.809 20 5 FDBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000563266753 546471612 /nfs/dbraw/zinc/47/16/12/546471612.db2.gz RQFLPDJOYHGKPJ-GDBMZVCRSA-N 0 3 373.413 1.585 20 5 FDBDHN O=C(CCN[C@H]1CCN(CC(F)(F)F)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000564855183 547069384 /nfs/dbraw/zinc/06/93/84/547069384.db2.gz CVOCCZBWBBAVMH-NSHDSACASA-N 0 3 374.319 1.676 20 5 FDBDHN C[C@]1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000565065334 547184718 /nfs/dbraw/zinc/18/47/18/547184718.db2.gz RLTQTCCRNUSZBC-SFHVURJKSA-N 0 3 372.429 1.755 20 5 FDBDHN COc1ccc(CC(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000567165084 548018102 /nfs/dbraw/zinc/01/81/02/548018102.db2.gz NTIZFAYGRPNULA-UHFFFAOYSA-N 0 3 358.398 1.837 20 5 FDBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1C1CCCCC1 ZINC000567263085 548056271 /nfs/dbraw/zinc/05/62/71/548056271.db2.gz QFUJJJLCSGVLIY-HZPDHXFCSA-N 0 3 365.434 1.066 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567542304 548155401 /nfs/dbraw/zinc/15/54/01/548155401.db2.gz PKMNHASDBLTEGY-AWEZNQCLSA-N 0 3 362.430 1.990 20 5 FDBDHN O=C1CCCCN1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567679456 548208653 /nfs/dbraw/zinc/20/86/53/548208653.db2.gz XRYTZTRTZSYVEG-UHFFFAOYSA-N 0 3 369.443 1.361 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C)C[C@@H]1CN ZINC000568512039 548569120 /nfs/dbraw/zinc/56/91/20/548569120.db2.gz GSDALVXPKPYIFQ-PWSUYJOCSA-N 0 3 356.810 1.117 20 5 FDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570044221 549139110 /nfs/dbraw/zinc/13/91/10/549139110.db2.gz BUTRBYYIQCHLFF-WPRPVWTQSA-N 0 3 367.349 1.890 20 5 FDBDHN CN1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000573188287 550082700 /nfs/dbraw/zinc/08/27/00/550082700.db2.gz VNWFUWZEENNYIT-GFCCVEGCSA-N 0 3 372.223 1.464 20 5 FDBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CCN2C1=O ZINC000574652249 550348949 /nfs/dbraw/zinc/34/89/49/550348949.db2.gz VSEBLGHAGGHTAW-KGLIPLIRSA-N 0 3 353.382 1.405 20 5 FDBDHN CC(C)C[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000575300343 550450924 /nfs/dbraw/zinc/45/09/24/550450924.db2.gz NYKGNSMTRGMLRG-AWEZNQCLSA-N 0 3 374.445 1.883 20 5 FDBDHN COc1ccc(C(=O)NCc2ccncc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000577252658 550636709 /nfs/dbraw/zinc/63/67/09/550636709.db2.gz SGYBQRMRDROAAX-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000577297743 550642079 /nfs/dbraw/zinc/64/20/79/550642079.db2.gz DKMWTPOIDKCYNL-WBAXXEDZSA-N 0 3 374.441 1.794 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000578181183 550736610 /nfs/dbraw/zinc/73/66/10/550736610.db2.gz RWHCSGJRMRFFHC-UHFFFAOYSA-N 0 3 360.414 1.839 20 5 FDBDHN N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccc1 ZINC000578321687 550751758 /nfs/dbraw/zinc/75/17/58/550751758.db2.gz USOKYSILSFPROZ-MRXNPFEDSA-N 0 3 370.409 1.861 20 5 FDBDHN N[C@@H]1C[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCN2C1=O ZINC000578644149 550786642 /nfs/dbraw/zinc/78/66/42/550786642.db2.gz OQBQVQIKJVYZMV-LSDHHAIUSA-N 0 3 373.438 1.462 20 5 FDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000578867340 550809890 /nfs/dbraw/zinc/80/98/90/550809890.db2.gz OJJKIUAFFLPDQY-HNNXBMFYSA-N 0 3 365.386 1.981 20 5 FDBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(N2CCCC2)n1 ZINC000581007481 551042234 /nfs/dbraw/zinc/04/22/34/551042234.db2.gz LAQQXQFKWYFVAS-INIZCTEOSA-N 0 3 360.418 1.246 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000581425304 551087193 /nfs/dbraw/zinc/08/71/93/551087193.db2.gz JUKOBWPNTDFBEH-DZJNRPSUSA-N 0 3 366.414 1.651 20 5 FDBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000582280406 551200497 /nfs/dbraw/zinc/20/04/97/551200497.db2.gz NMZUDXLBAKOZBJ-KBXCAEBGSA-N 0 3 372.473 1.929 20 5 FDBDHN CN(C)CCOc1cccc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)c1 ZINC000583665793 551384268 /nfs/dbraw/zinc/38/42/68/551384268.db2.gz NANNVPAHFPVSPR-UHFFFAOYSA-N 0 3 358.358 1.830 20 5 FDBDHN CN(C)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000584585590 551522338 /nfs/dbraw/zinc/52/23/38/551522338.db2.gz MJRLENKBZRIANH-HIFRSBDPSA-N 0 3 355.460 1.831 20 5 FDBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000584715228 551535030 /nfs/dbraw/zinc/53/50/30/551535030.db2.gz MQBWREIJKNTTJN-ZDUSSCGKSA-N 0 3 352.416 1.491 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000586847943 551625502 /nfs/dbraw/zinc/62/55/02/551625502.db2.gz QDCPPECGNMCVAR-UHFFFAOYSA-N 0 3 350.419 1.368 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CN2CCN(C)CC2)CC1 ZINC000588814283 551690625 /nfs/dbraw/zinc/69/06/25/551690625.db2.gz ACYDKERZSCFGQM-UHFFFAOYSA-N 0 3 350.467 1.583 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588864031 551694645 /nfs/dbraw/zinc/69/46/45/551694645.db2.gz WYJZFSPDOKYHHK-CABCVRRESA-N 0 3 360.414 1.450 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000590400843 551780565 /nfs/dbraw/zinc/78/05/65/551780565.db2.gz ZLLUEFRKLIUYJP-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000590550869 551791419 /nfs/dbraw/zinc/79/14/19/551791419.db2.gz SSNOGVSGRXKVTA-IRXDYDNUSA-N 0 3 371.397 1.062 20 5 FDBDHN C[S@@](=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591750184 551905820 /nfs/dbraw/zinc/90/58/20/551905820.db2.gz WMMIUUIVIJZCOG-SGANQWHYSA-N 0 3 364.423 1.862 20 5 FDBDHN CO[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000591754095 551905851 /nfs/dbraw/zinc/90/58/51/551905851.db2.gz BEOTXLUNPMRUKC-WFASDCNBSA-N 0 3 354.794 1.783 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592103300 551941923 /nfs/dbraw/zinc/94/19/23/551941923.db2.gz GAMWDNBVCHGDNY-UHFFFAOYSA-N 0 3 369.443 1.389 20 5 FDBDHN CC1(C)CN[C@H]1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000592277591 551971901 /nfs/dbraw/zinc/97/19/01/551971901.db2.gz ACZFIBMNGBXRCY-HNNXBMFYSA-N 0 3 372.429 1.508 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592872881 552037381 /nfs/dbraw/zinc/03/73/81/552037381.db2.gz MQHAMCIXOGDQEO-CYBMUJFWSA-N 0 3 362.430 1.451 20 5 FDBDHN CN(C)CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000593053344 552056594 /nfs/dbraw/zinc/05/65/94/552056594.db2.gz ZGMWBUNKFHYJLY-UHFFFAOYSA-N 0 3 373.413 1.456 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000593467365 552113644 /nfs/dbraw/zinc/11/36/44/552113644.db2.gz PHMLNZXIIRXNBV-INIZCTEOSA-N 0 3 357.414 1.972 20 5 FDBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537537 552126570 /nfs/dbraw/zinc/12/65/70/552126570.db2.gz DIJDMPPKZVGWQN-CYBMUJFWSA-N 0 3 356.448 1.923 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000593576343 552140542 /nfs/dbraw/zinc/14/05/42/552140542.db2.gz QZHOYABMQSABBG-STQMWFEESA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000593576343 552140545 /nfs/dbraw/zinc/14/05/45/552140545.db2.gz QZHOYABMQSABBG-STQMWFEESA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000593656838 552165519 /nfs/dbraw/zinc/16/55/19/552165519.db2.gz HKWUKDVWOKITHW-ZDUSSCGKSA-N 0 3 353.394 1.894 20 5 FDBDHN COCCNCCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593905361 552222721 /nfs/dbraw/zinc/22/27/21/552222721.db2.gz DEWOZYZIPUWSAR-UHFFFAOYSA-N 0 3 361.402 1.114 20 5 FDBDHN NC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594523521 552327316 /nfs/dbraw/zinc/32/73/16/552327316.db2.gz CJOKRDLCOGXHCT-JTQLQIEISA-N 0 3 354.716 1.980 20 5 FDBDHN NS(=O)(=O)c1c(N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594601955 552339473 /nfs/dbraw/zinc/33/94/73/552339473.db2.gz PWZZZRCKCLYASV-WCQYABFASA-N 0 3 354.432 1.671 20 5 FDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594711943 552361275 /nfs/dbraw/zinc/36/12/75/552361275.db2.gz SECLKZKKTIKZKM-WBMJQRKESA-N 0 3 351.403 1.953 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(OC3CC3)c2F)c1 ZINC000594716005 552362644 /nfs/dbraw/zinc/36/26/44/552362644.db2.gz GIIYOABOJRGDAX-ZDUSSCGKSA-N 0 3 350.350 1.622 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594718329 552362793 /nfs/dbraw/zinc/36/27/93/552362793.db2.gz OQEBSQLCDKPBFY-CQSZACIVSA-N 0 3 355.460 1.831 20 5 FDBDHN COc1cc(CNCCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000594953516 552426388 /nfs/dbraw/zinc/42/63/88/552426388.db2.gz UFPSPBLWRAJLFQ-UHFFFAOYSA-N 0 3 372.443 1.917 20 5 FDBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000594957524 552426911 /nfs/dbraw/zinc/42/69/11/552426911.db2.gz QSSLQDSXGHBXOA-MRXNPFEDSA-N 0 3 352.387 1.993 20 5 FDBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(CO)COCCN1Cc1ccccc1 ZINC000594990982 552433193 /nfs/dbraw/zinc/43/31/93/552433193.db2.gz WRMWXMKZYUKQFF-FQEVSTJZSA-N 0 3 371.437 1.948 20 5 FDBDHN C[C@H](CSCCF)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595008078 552436778 /nfs/dbraw/zinc/43/67/78/552436778.db2.gz PMWRHEDKENVYOG-LLVKDONJSA-N 0 3 365.452 1.554 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595232333 552499686 /nfs/dbraw/zinc/49/96/86/552499686.db2.gz XHKVKULHQIYTBX-UHFFFAOYSA-N 0 3 362.346 1.270 20 5 FDBDHN CO[C@@]1(CO)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000595658041 552598333 /nfs/dbraw/zinc/59/83/33/552598333.db2.gz GXXAADKTPBKDOR-KRWDZBQOSA-N 0 3 365.386 1.366 20 5 FDBDHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595828036 552620768 /nfs/dbraw/zinc/62/07/68/552620768.db2.gz HLBZYGNWBPCJMO-GJZGRUSLSA-N 0 3 363.414 1.279 20 5 FDBDHN COc1cc(CCNC(=O)C2(NC3CC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000595922222 552633805 /nfs/dbraw/zinc/63/38/05/552633805.db2.gz ALCVXSLOKQYNER-UHFFFAOYSA-N 0 3 363.414 1.945 20 5 FDBDHN C[C@H](NC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596045782 552649190 /nfs/dbraw/zinc/64/91/90/552649190.db2.gz FRDOYWZUCJININ-ZFWWWQNUSA-N 0 3 362.430 1.765 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596051346 552650241 /nfs/dbraw/zinc/65/02/41/552650241.db2.gz NBHHVHOCZHBOCZ-SNVBAGLBSA-N 0 3 357.310 1.114 20 5 FDBDHN CC(C)(C)NC(=O)CN1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596158288 552660646 /nfs/dbraw/zinc/66/06/46/552660646.db2.gz BKPZJKBMMGNBAU-UHFFFAOYSA-N 0 3 365.434 1.734 20 5 FDBDHN NC(=O)c1cc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000596239631 552667401 /nfs/dbraw/zinc/66/74/01/552667401.db2.gz HOIOHCIMDNDNMO-UHFFFAOYSA-N 0 3 363.418 1.098 20 5 FDBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOC2(CNC2)C1 ZINC000596580139 552691303 /nfs/dbraw/zinc/69/13/03/552691303.db2.gz LGPTXFPRHLZJKS-UHFFFAOYSA-N 0 3 360.414 1.012 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOC2(CNC2)C1 ZINC000596580712 552691499 /nfs/dbraw/zinc/69/14/99/552691499.db2.gz PFMSBNKIFCKMBQ-UHFFFAOYSA-N 0 3 370.203 1.101 20 5 FDBDHN COCCN(CCN(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094465 552746038 /nfs/dbraw/zinc/74/60/38/552746038.db2.gz HQJBGHBXKYMBBV-UHFFFAOYSA-N 0 3 359.814 1.872 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000597222041 552762446 /nfs/dbraw/zinc/76/24/46/552762446.db2.gz JTTOXOFUOORJFD-TXEJJXNPSA-N 0 3 352.343 1.188 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597574954 552807188 /nfs/dbraw/zinc/80/71/88/552807188.db2.gz UTMFWHWSGQQJIL-SFHVURJKSA-N 0 3 363.414 1.473 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597857654 552841486 /nfs/dbraw/zinc/84/14/86/552841486.db2.gz HWMXBUGXMGYRTC-OAHLLOKOSA-N 0 3 362.430 1.704 20 5 FDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000597924427 552846242 /nfs/dbraw/zinc/84/62/42/552846242.db2.gz RJPDVPCIMMQCMM-GFCCVEGCSA-N 0 3 358.402 1.778 20 5 FDBDHN C[C@@H]1CCCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590539 552912116 /nfs/dbraw/zinc/91/21/16/552912116.db2.gz OGFOSRZKPAREIE-CYBMUJFWSA-N 0 3 350.423 1.365 20 5 FDBDHN CN(CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000598589205 552912198 /nfs/dbraw/zinc/91/21/98/552912198.db2.gz RTXBRRNWYFMFFM-UHFFFAOYSA-N 0 3 372.429 1.765 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000598902574 552942154 /nfs/dbraw/zinc/94/21/54/552942154.db2.gz PESHHBDJEPENQX-DOMZBBRYSA-N 0 3 361.402 1.269 20 5 FDBDHN [NH3+]CCCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599110140 552969135 /nfs/dbraw/zinc/96/91/35/552969135.db2.gz IBTRMESCUYKJKG-UHFFFAOYSA-N 0 3 371.337 1.257 20 5 FDBDHN COC(=O)C1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694500 553123994 /nfs/dbraw/zinc/12/39/94/553123994.db2.gz IBGZLQAWOCBOGI-KCQAQPDRSA-N 0 3 366.414 1.997 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938597 553178939 /nfs/dbraw/zinc/17/89/39/553178939.db2.gz QLUFGWGYEXVZMH-KBAYOESNSA-N 0 3 361.442 1.831 20 5 FDBDHN COc1cccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600008669 553198951 /nfs/dbraw/zinc/19/89/51/553198951.db2.gz QMFTVPUPNASVSP-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600064067 553211433 /nfs/dbraw/zinc/21/14/33/553211433.db2.gz ZRGUKDRYSLFHSZ-HNNXBMFYSA-N 0 3 360.414 1.975 20 5 FDBDHN CN(C)CCN1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103781 553347826 /nfs/dbraw/zinc/34/78/26/553347826.db2.gz HLJIJDGMZGGZQT-UHFFFAOYSA-N 0 3 364.372 1.785 20 5 FDBDHN CC[C@H]1CN(C)CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000601192302 553358390 /nfs/dbraw/zinc/35/83/90/553358390.db2.gz UPOYWLANLNEZEG-LBPRGKRZSA-N 0 3 356.448 1.423 20 5 FDBDHN O=C([C@H]1CCN1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602059380 553510680 /nfs/dbraw/zinc/51/06/80/553510680.db2.gz YZCQGMZWJKVCRP-MRXNPFEDSA-N 0 3 359.430 1.655 20 5 FDBDHN COC[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCN1 ZINC000602429079 553579791 /nfs/dbraw/zinc/57/97/91/553579791.db2.gz DIYJYQHHLKQQGV-SFHVURJKSA-N 0 3 362.430 1.402 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000602764370 553633270 /nfs/dbraw/zinc/63/32/70/553633270.db2.gz AIGZSXUGFYJBJB-UHFFFAOYSA-N 0 3 363.340 1.490 20 5 FDBDHN COC[C@@]1(C(=O)OC(C)(C)C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602961369 553681417 /nfs/dbraw/zinc/68/14/17/553681417.db2.gz OLAPGOJDVUYLLU-MRXNPFEDSA-N 0 3 354.407 1.472 20 5 FDBDHN CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000603476548 553792797 /nfs/dbraw/zinc/79/27/97/553792797.db2.gz CAQLENDUOWRTKP-UHFFFAOYSA-N 0 3 355.416 1.165 20 5 FDBDHN C[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C1CC1 ZINC000609213176 554350406 /nfs/dbraw/zinc/35/04/06/554350406.db2.gz JDJCRSCHLDDFFY-CYBMUJFWSA-N 0 3 362.434 1.304 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)C1 ZINC000609665164 554409103 /nfs/dbraw/zinc/40/91/03/554409103.db2.gz BAJYVRPNCMZDRP-OAHLLOKOSA-N 0 3 371.441 1.928 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000609841132 554428106 /nfs/dbraw/zinc/42/81/06/554428106.db2.gz CCDLGHLGNDCLTI-TZMCWYRMSA-N 0 3 366.466 1.675 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](CN3CCOCC3)C1)OCCO2 ZINC000611274000 554621229 /nfs/dbraw/zinc/62/12/29/554621229.db2.gz FHXIALHNZYNTTM-CQSZACIVSA-N 0 3 363.414 1.520 20 5 FDBDHN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000611345868 554627236 /nfs/dbraw/zinc/62/72/36/554627236.db2.gz DYWUHBSARNQUJN-SUMWQHHRSA-N 0 3 359.430 1.804 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000277391074 674933432 /nfs/dbraw/zinc/93/34/32/674933432.db2.gz FVGGFYZXSSBECZ-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277706430 675009937 /nfs/dbraw/zinc/00/99/37/675009937.db2.gz LMNSVWHMZHZLHV-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000178732596 672146544 /nfs/dbraw/zinc/14/65/44/672146544.db2.gz BPODPGJLRTXDTH-MRXNPFEDSA-N 0 3 350.394 1.472 20 5 FDBDHN CCN1CCN([C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000286077174 675869084 /nfs/dbraw/zinc/86/90/84/675869084.db2.gz ACJKOPCUZWMVAD-GFCCVEGCSA-N 0 3 362.459 1.816 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000299459290 676536276 /nfs/dbraw/zinc/53/62/76/676536276.db2.gz XZJWZHGDHHINQP-CYBMUJFWSA-N 0 3 369.443 1.852 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363942370 676980007 /nfs/dbraw/zinc/98/00/07/676980007.db2.gz AKQXGRBMPXLBSI-NWDGAFQWSA-N 0 3 371.796 1.909 20 5 FDBDHN COc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364163301 676996340 /nfs/dbraw/zinc/99/63/40/676996340.db2.gz WRRUTBJYLPOOTC-UHFFFAOYSA-N 0 3 351.403 1.522 20 5 FDBDHN CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364324863 677007950 /nfs/dbraw/zinc/00/79/50/677007950.db2.gz OFSAXCFRDCCSFW-ZIAGYGMSSA-N 0 3 371.463 1.100 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CCCN([C@@H](C)CO)CC2)cc1Cl ZINC000364958476 677341085 /nfs/dbraw/zinc/34/10/85/677341085.db2.gz XOMPKNPJRVUDAP-NSHDSACASA-N 0 3 371.821 1.928 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377475237 678547283 /nfs/dbraw/zinc/54/72/83/678547283.db2.gz LVATUHCZYJUXNF-VXGBXAGGSA-N 0 3 351.428 1.910 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412096580 679155569 /nfs/dbraw/zinc/15/55/69/679155569.db2.gz SNWCEBIYOJGRPD-GXTWGEPZSA-N 0 3 370.427 1.173 20 5 FDBDHN COc1ccc(OCCN2C[C@H](C)N(CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419336685 680238494 /nfs/dbraw/zinc/23/84/94/680238494.db2.gz XQMRORADUYGQPH-KBPBESRZSA-N 0 3 353.419 1.369 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475206744 685572010 /nfs/dbraw/zinc/57/20/10/685572010.db2.gz NXTMCSZXYOXWGC-CYBMUJFWSA-N 0 3 362.308 1.802 20 5 FDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000450732678 682776945 /nfs/dbraw/zinc/77/69/45/682776945.db2.gz JMCPDTNYRMBPCZ-DTWKUNHWSA-N 0 3 360.208 1.902 20 5 FDBDHN O=C(CNC1(CO)CCSCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459706479 684447290 /nfs/dbraw/zinc/44/72/90/684447290.db2.gz VQQMLJJJBOMKHS-UHFFFAOYSA-N 0 3 351.428 1.332 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000461901497 684600878 /nfs/dbraw/zinc/60/08/78/684600878.db2.gz NWUGUQFLWUERLU-WCQYABFASA-N 0 3 359.835 1.915 20 5 FDBDHN COC(=O)C[C@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000464591236 684752784 /nfs/dbraw/zinc/75/27/84/684752784.db2.gz HOLPRKVZFGGMFV-MRXNPFEDSA-N 0 3 354.359 1.294 20 5 FDBDHN COc1c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476720627 685767867 /nfs/dbraw/zinc/76/78/67/685767867.db2.gz AMUWRNFXWWUFOV-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN COc1c(C(=O)N[C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476720626 685767941 /nfs/dbraw/zinc/76/79/41/685767941.db2.gz AMUWRNFXWWUFOV-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@H]1C[C@@H]1N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000488748581 687056287 /nfs/dbraw/zinc/05/62/87/687056287.db2.gz CFHVRDUUSTVFNP-OBJOEFQTSA-N 0 3 368.459 1.409 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164681995 719695907 /nfs/dbraw/zinc/69/59/07/719695907.db2.gz AXSSSNJWISUSON-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2 ZINC001164686296 719712948 /nfs/dbraw/zinc/71/29/48/719712948.db2.gz YYJVRGLDRRSZDJ-UHFFFAOYSA-N 0 3 363.418 1.179 20 5 FDBDHN COc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164761010 721093242 /nfs/dbraw/zinc/09/32/42/721093242.db2.gz AJGRRCRRBCWQJA-CABCVRRESA-N 0 3 372.429 1.690 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC000277564289 782614762 /nfs/dbraw/zinc/61/47/62/782614762.db2.gz PSSQSNMRVQXSQH-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000430886089 779496346 /nfs/dbraw/zinc/49/63/46/779496346.db2.gz RHQGFLYLPUMSSS-UHFFFAOYSA-N 0 3 365.434 1.279 20 5 FDBDHN COC(=O)C[C@@](C)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000510755351 779815769 /nfs/dbraw/zinc/81/57/69/779815769.db2.gz WXBFEFBAQVJTPI-QGZVFWFLSA-N 0 3 362.386 1.868 20 5 FDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000277820030 783458037 /nfs/dbraw/zinc/45/80/37/783458037.db2.gz HOTMXCIBRYIAGT-MRXNPFEDSA-N 0 3 370.413 1.922 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000376085061 785834955 /nfs/dbraw/zinc/83/49/55/785834955.db2.gz VCQCFLBJUAKHNA-AWEZNQCLSA-N 0 3 362.430 1.990 20 5 FDBDHN CC(C)(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000376307387 787221398 /nfs/dbraw/zinc/22/13/98/787221398.db2.gz OTHBLOVUZYHUKX-UONOGXRCSA-N 0 3 365.405 1.991 20 5 FDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571662 787519118 /nfs/dbraw/zinc/51/91/18/787519118.db2.gz VFQYMFQLQROZQJ-NWDGAFQWSA-N 0 3 366.393 1.909 20 5 FDBDHN COC(=O)C1=C(C)O[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000759857600 795921007 /nfs/dbraw/zinc/92/10/07/795921007.db2.gz VSMZBZCELWXVFX-GXTWGEPZSA-N 0 3 362.386 1.712 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CCC3(O)CCC3)C2)nc1 ZINC001167778758 803658794 /nfs/dbraw/zinc/65/87/94/803658794.db2.gz KCGGAHJLEAJTEC-ZFWWWQNUSA-N 0 3 350.419 1.532 20 5 FDBDHN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CCN(C)CC1 ZINC000279057453 808220799 /nfs/dbraw/zinc/22/07/99/808220799.db2.gz MUVKKUHDPMZAPS-NSHDSACASA-N 0 3 358.402 1.921 20 5 FDBDHN Cc1cc(OCC(=O)Nc2ccc(=O)n(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000280418236 811812152 /nfs/dbraw/zinc/81/21/52/811812152.db2.gz BLYIQSXDJPFHRP-UHFFFAOYSA-N 0 3 374.397 1.644 20 5 FDBDHN COc1cnccc1N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420628180 813754055 /nfs/dbraw/zinc/75/40/55/813754055.db2.gz PBXORWUHQYOSBY-UHFFFAOYSA-N 0 3 357.370 1.424 20 5 FDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000420616681 813757513 /nfs/dbraw/zinc/75/75/13/813757513.db2.gz SRFKPMCBIAHDTQ-HUUCEWRRSA-N 0 3 370.409 1.741 20 5 FDBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000519613418 818843764 /nfs/dbraw/zinc/84/37/64/818843764.db2.gz WWWMSYBBTJANCI-HNNXBMFYSA-N 0 3 358.398 1.696 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(F)cc1 ZINC001029304625 820435292 /nfs/dbraw/zinc/43/52/92/820435292.db2.gz CHJQYBVOIZLXJB-YALNPMBYSA-N 0 3 363.389 1.545 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000280933339 825823716 /nfs/dbraw/zinc/82/37/16/825823716.db2.gz HPJBQEFDYPRQNT-ZDUSSCGKSA-N 0 3 365.434 1.462 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440503331 828161159 /nfs/dbraw/zinc/16/11/59/828161159.db2.gz IFXZGTWMFQFLTA-IBGZPJMESA-N 0 3 370.409 1.665 20 5 FDBDHN Cn1c(=O)cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)c1=O ZINC000451543438 830391857 /nfs/dbraw/zinc/39/18/57/830391857.db2.gz BOPYEZYFBORCER-CQSZACIVSA-N 0 3 358.398 1.372 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCCN1CCO ZINC000452397430 830646200 /nfs/dbraw/zinc/64/62/00/830646200.db2.gz ZQRPRSXJWUXMKB-MRXNPFEDSA-N 0 3 360.414 1.513 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)n1 ZINC000428544430 832482223 /nfs/dbraw/zinc/48/22/23/832482223.db2.gz JQMGEKNOJRVEIZ-CQSZACIVSA-N 0 3 359.386 1.630 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454637351 835594643 /nfs/dbraw/zinc/59/46/43/835594643.db2.gz GNMXRUHRGVMLLY-ZDUSSCGKSA-N 0 3 360.418 1.058 20 5 FDBDHN CCCc1n[nH]c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000270082591 837164261 /nfs/dbraw/zinc/16/42/61/837164261.db2.gz IXNNPCILNNHPTH-UHFFFAOYSA-N 0 3 362.390 1.246 20 5 FDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913428478 862030614 /nfs/dbraw/zinc/03/06/14/862030614.db2.gz YMGSYPOAGULSKB-JTQLQIEISA-N 0 3 359.785 1.962 20 5 FDBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000484637510 850999406 /nfs/dbraw/zinc/99/94/06/850999406.db2.gz HCYJHHGQWWQYJZ-NORZTCDRSA-N 0 3 367.402 1.714 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000907144847 853861168 /nfs/dbraw/zinc/86/11/68/853861168.db2.gz BYXKFXQHIJGMEZ-VXGBXAGGSA-N 0 3 358.851 1.948 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000907547215 854346053 /nfs/dbraw/zinc/34/60/53/854346053.db2.gz CRHOVLONCLQZRK-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000907553079 854351796 /nfs/dbraw/zinc/35/17/96/854351796.db2.gz ALBFTFGTENFMCC-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000907553174 854352625 /nfs/dbraw/zinc/35/26/25/854352625.db2.gz DBZLHPQOTGBIFV-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488508178 858142826 /nfs/dbraw/zinc/14/28/26/858142826.db2.gz ADKCXZUXWSOHGQ-INIZCTEOSA-N 0 3 365.430 1.919 20 5 FDBDHN COc1cc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000916663817 882012055 /nfs/dbraw/zinc/01/20/55/882012055.db2.gz ODXTWGFLAXZUBN-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)c2cc(F)ccc2F)cc1 ZINC000916966604 882736436 /nfs/dbraw/zinc/73/64/36/882736436.db2.gz CVNPGGYWHNHNFK-ULQDDVLXSA-N 0 3 368.336 1.591 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272581090 877964096 /nfs/dbraw/zinc/96/40/96/877964096.db2.gz GTPNYPKEHTXQLG-CJNGLKHVSA-N 0 3 360.414 1.267 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000272690911 879225669 /nfs/dbraw/zinc/22/56/69/879225669.db2.gz WYWWIGFGLHBNGT-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CC(C)(C)c1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034645616 884608406 /nfs/dbraw/zinc/60/84/06/884608406.db2.gz UGLNPRFQOUECCP-FDYHWXHSSA-N 0 3 365.434 1.549 20 5 FDBDHN CC(C)=CC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079156416 902072998 /nfs/dbraw/zinc/07/29/98/902072998.db2.gz RBNCZTOONBDNKK-HZPDHXFCSA-N 0 3 366.462 1.049 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000730788880 917312616 /nfs/dbraw/zinc/31/26/16/917312616.db2.gz BTNLRPQDDZPDND-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732036560 918948466 /nfs/dbraw/zinc/94/84/66/918948466.db2.gz TUWKDLFNMZRVTR-MRXNPFEDSA-N 0 3 374.441 1.740 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000744798195 926887642 /nfs/dbraw/zinc/88/76/42/926887642.db2.gz GYUUMATVNGJCLN-AWEZNQCLSA-N 0 3 362.430 1.503 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000769760123 929645209 /nfs/dbraw/zinc/64/52/09/929645209.db2.gz KQUMZFDVSKTTSZ-ZDUSSCGKSA-N 0 3 351.476 1.907 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747230683 938680682 /nfs/dbraw/zinc/68/06/82/938680682.db2.gz WUIKEVJTOBFVQP-CVEARBPZSA-N 0 3 358.398 1.529 20 5 FDBDHN COc1cc(CONC(=N)[C@H]2CN(C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998865 940936569 /nfs/dbraw/zinc/93/65/69/940936569.db2.gz YJJIYYBFRYQUEH-OAHLLOKOSA-N 0 3 352.391 1.711 20 5 FDBDHN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102458 941325820 /nfs/dbraw/zinc/32/58/20/941325820.db2.gz FTOAUWOZXGRLBQ-JSGCOSHPSA-N 0 3 350.371 1.898 20 5 FDBDHN CC(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[N+](=O)[O-] ZINC000813104171 941326302 /nfs/dbraw/zinc/32/63/02/941326302.db2.gz XJVWWOQLSHDNRO-HICWGWBUSA-N 0 3 368.386 1.925 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813104668 941326572 /nfs/dbraw/zinc/32/65/72/941326572.db2.gz FSSXBPXFMZXOLW-BXUZGUMPSA-N 0 3 365.342 1.716 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105805 941326800 /nfs/dbraw/zinc/32/68/00/941326800.db2.gz UUVLAMHLYPXBFX-JSGCOSHPSA-N 0 3 356.400 1.357 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813104135 941327028 /nfs/dbraw/zinc/32/70/28/941327028.db2.gz KPGJYAFBOIQOHL-JQWIXIFHSA-N 0 3 350.327 1.228 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)[N+](=O)[O-] ZINC000813109572 941334365 /nfs/dbraw/zinc/33/43/65/941334365.db2.gz MKBBAVDDHOMLLE-KBPBESRZSA-N 0 3 350.371 1.512 20 5 FDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1CCOc1ccc(F)cc1 ZINC000813110916 941334599 /nfs/dbraw/zinc/33/45/99/941334599.db2.gz LVROEUDXIQGPJO-SNVBAGLBSA-N 0 3 352.322 1.627 20 5 FDBDHN CC(COC(=O)Cn1cnc2ccc(Br)cc2c1=O)[N+](=O)[O-] ZINC000813110416 941335169 /nfs/dbraw/zinc/33/51/69/941335169.db2.gz ADGXNJBUNKMOMU-MRVPVSSYSA-N 0 3 370.159 1.367 20 5 FDBDHN CC(COC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)[N+](=O)[O-] ZINC000813112000 941335201 /nfs/dbraw/zinc/33/52/01/941335201.db2.gz BPAOFRKVLHMIKK-NSHDSACASA-N 0 3 358.416 1.727 20 5 FDBDHN CC(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813113486 941335842 /nfs/dbraw/zinc/33/58/42/941335842.db2.gz DVSMDARGYGXBHH-NSHDSACASA-N 0 3 374.390 1.822 20 5 FDBDHN CC(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112197 941335878 /nfs/dbraw/zinc/33/58/78/941335878.db2.gz NMAHJGPKIXSNEG-TZMCWYRMSA-N 0 3 356.400 1.438 20 5 FDBDHN CC(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[N+](=O)[O-] ZINC000813114201 941336212 /nfs/dbraw/zinc/33/62/12/941336212.db2.gz NGWAMAYVSOSKTK-SECBINFHSA-N 0 3 362.791 1.702 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000815704133 941945286 /nfs/dbraw/zinc/94/52/86/941945286.db2.gz XQLQGFHSOSYKQB-NOZJJQNGSA-N 0 3 352.778 1.349 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000817404870 942765466 /nfs/dbraw/zinc/76/54/66/942765466.db2.gz SIQJZEXQTXLHJP-JTQLQIEISA-N 0 3 354.794 1.739 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818937524 943352321 /nfs/dbraw/zinc/35/23/21/943352321.db2.gz JMSUOLCBHXITQC-UHFFFAOYSA-N 0 3 357.374 1.341 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccnc2N2CCOCC2)c1 ZINC000818949437 943359428 /nfs/dbraw/zinc/35/94/28/943359428.db2.gz MRCSZLOXHDPMHB-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN Cc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1S(N)(=O)=O ZINC000819268280 943520911 /nfs/dbraw/zinc/52/09/11/943520911.db2.gz RCMLBVHLEQVXHQ-OAHLLOKOSA-N 0 3 365.411 1.374 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235329 944906949 /nfs/dbraw/zinc/90/69/49/944906949.db2.gz CQPICNFIJDWSQA-LLVKDONJSA-N 0 3 352.366 1.906 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823994813 946144098 /nfs/dbraw/zinc/14/40/98/946144098.db2.gz ZRCNRFHVDXFOLQ-ZDUSSCGKSA-N 0 3 364.450 1.572 20 5 FDBDHN CN1CCN(CCCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823997688 946145419 /nfs/dbraw/zinc/14/54/19/946145419.db2.gz GQJYHYYFVVMVPB-UHFFFAOYSA-N 0 3 350.423 1.326 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844034780 947630787 /nfs/dbraw/zinc/63/07/87/947630787.db2.gz MPTZSXFIJKOLKF-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1Cl ZINC000844037142 947640638 /nfs/dbraw/zinc/64/06/38/947640638.db2.gz JWSBRMNAFAIYIC-LLVKDONJSA-N 0 3 368.821 1.749 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844039342 947646945 /nfs/dbraw/zinc/64/69/45/947646945.db2.gz QJOBYKAQPZNQBL-NSHDSACASA-N 0 3 352.366 1.234 20 5 FDBDHN O=[N+]([O-])c1cnn(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000844727343 948335084 /nfs/dbraw/zinc/33/50/84/948335084.db2.gz GIQDZJQYSNOTJY-QZTJIDSGSA-N 0 3 357.414 1.724 20 5 FDBDHN CC(=O)c1cn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845883265 950063201 /nfs/dbraw/zinc/06/32/01/950063201.db2.gz RGZBUKUOIOOSTN-BJOHPYRUSA-N 0 3 350.306 1.570 20 5 FDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001173229947 961970969 /nfs/dbraw/zinc/97/09/69/961970969.db2.gz YCSHMGSAJKJWJO-LBPRGKRZSA-N 0 3 357.414 1.943 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(C)CC1(C)C ZINC001178710283 964390608 /nfs/dbraw/zinc/39/06/08/964390608.db2.gz YPHSHQGYGACITQ-RYUDHWBXSA-N 0 3 352.439 1.284 20 5 FDBDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001198218180 972894833 /nfs/dbraw/zinc/89/48/33/972894833.db2.gz DIXSKFIQZYKONH-IBGZPJMESA-N 0 3 373.409 1.786 20 5 FDBDHN C[C@@H]1C[C@H](N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CN1C1CC1 ZINC000863506315 972974631 /nfs/dbraw/zinc/97/46/31/972974631.db2.gz FMKMESYMOZWPOA-PSZVPEGOSA-N 0 3 358.398 1.987 20 5 FDBDHN Nc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000794591060 973413377 /nfs/dbraw/zinc/41/33/77/973413377.db2.gz FZVJPIBNVGWCAD-OAHLLOKOSA-N 0 3 356.382 1.996 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849506092 977700940 /nfs/dbraw/zinc/70/09/40/977700940.db2.gz LGKVIWZGZCTZIE-ROUUACIJSA-N 0 3 371.441 1.723 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000849552545 977735825 /nfs/dbraw/zinc/73/58/25/977735825.db2.gz FWOIDPQJYWRBCM-IAGOWNOFSA-N 0 3 371.441 1.723 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849566831 977764464 /nfs/dbraw/zinc/76/44/64/977764464.db2.gz DOAHCVMEQKBHBF-QZTJIDSGSA-N 0 3 371.441 1.723 20 5 FDBDHN COc1ccc2ncc([N+](=O)[O-])c(N3CN(CCN(C)C)C(=O)[C@@H]3C)c2c1 ZINC000884543178 983234036 /nfs/dbraw/zinc/23/40/36/983234036.db2.gz XIADALPCDWWOMW-LBPRGKRZSA-N 0 3 373.413 1.708 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000360827688 988166571 /nfs/dbraw/zinc/16/65/71/988166571.db2.gz DSWGSMAFCQGWRN-QWHCGFSZSA-N 0 3 356.382 1.736 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000362920349 988778644 /nfs/dbraw/zinc/77/86/44/988778644.db2.gz KBCPFELKIBNEJX-MRXNPFEDSA-N 0 3 360.414 1.078 20 5 FDBDHN Cc1cc(C2=CCN(CCC(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000369905549 989288356 /nfs/dbraw/zinc/28/83/56/989288356.db2.gz BVYOCWZSAWPTBO-UHFFFAOYSA-N 0 3 374.441 1.823 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370424517 989733842 /nfs/dbraw/zinc/73/38/42/989733842.db2.gz OUBXCEVBUSYNAV-OAHLLOKOSA-N 0 3 361.446 1.539 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000874349064 990139065 /nfs/dbraw/zinc/13/90/65/990139065.db2.gz JZCPNLCAKYDSFQ-UHFFFAOYSA-N 0 3 374.441 1.592 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000365508158 990256819 /nfs/dbraw/zinc/25/68/19/990256819.db2.gz OEFGRVXTXFHPRB-QGZVFWFLSA-N 0 3 360.458 1.623 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371350597 990373453 /nfs/dbraw/zinc/37/34/53/990373453.db2.gz AKOHQLAVXGXPPP-CZUORRHYSA-N 0 3 364.421 1.832 20 5 FDBDHN O=C([C@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)N1CCCC1 ZINC000371443037 990434428 /nfs/dbraw/zinc/43/44/28/990434428.db2.gz NFXIKOPQSIQUNV-MRXNPFEDSA-N 0 3 374.441 1.481 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000373172917 991975256 /nfs/dbraw/zinc/97/52/56/991975256.db2.gz LFLMUWSQQMQWCG-UONOGXRCSA-N 0 3 364.398 1.610 20 5 FDBDHN COC1CCN(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000876170771 992393807 /nfs/dbraw/zinc/39/38/07/992393807.db2.gz FAUXZTSUKSUVGG-UHFFFAOYSA-N 0 3 350.419 1.813 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467721019 993362274 /nfs/dbraw/zinc/36/22/74/993362274.db2.gz RMAUMAKSDFIIET-SJCJKPOMSA-N 0 3 355.398 1.993 20 5 FDBDHN C[C@H]1CC2(CC(NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000926150970 995941550 /nfs/dbraw/zinc/94/15/50/995941550.db2.gz QDMTWILFSGQKJL-FUJMWEONSA-N 0 3 354.428 1.916 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889749961 998589009 /nfs/dbraw/zinc/58/90/09/998589009.db2.gz NOVQPGGMLGUASD-CABCVRRESA-N 0 3 351.378 1.334 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889764564 998620032 /nfs/dbraw/zinc/62/00/32/998620032.db2.gz XSMPYHOFIOFCRO-IRXDYDNUSA-N 0 3 370.409 1.814 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889768395 998627400 /nfs/dbraw/zinc/62/74/00/998627400.db2.gz NCBFRBJJABWMMB-JKSUJKDBSA-N 0 3 367.833 1.848 20 5 FDBDHN CC(C)(C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000889769984 998633055 /nfs/dbraw/zinc/63/30/55/998633055.db2.gz XMGOVZOWCQNGAA-IRXDYDNUSA-N 0 3 361.442 1.930 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266177005 999126251 /nfs/dbraw/zinc/12/62/51/999126251.db2.gz XNNXKMDOAQZMLW-MRXNPFEDSA-N 0 3 362.430 1.196 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(CCc2ccccn2)CC1 ZINC000285998815 999930153 /nfs/dbraw/zinc/93/01/53/999930153.db2.gz NNEJXCJHCDMHNY-UHFFFAOYSA-N 0 3 358.402 1.492 20 5 FDBDHN COC(=O)CC[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000288814214 1000049443 /nfs/dbraw/zinc/04/94/43/1000049443.db2.gz STMDVHBTPLRRMI-HNNXBMFYSA-N 0 3 365.386 1.245 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289033340 1000070004 /nfs/dbraw/zinc/07/00/04/1000070004.db2.gz OYBGGYLOKDRWJC-UBHSHLNASA-N 0 3 369.422 1.140 20 5 FDBDHN CN(C(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000934265046 1005725382 /nfs/dbraw/zinc/72/53/82/1005725382.db2.gz QOEIXCXDRJLLPW-IRXDYDNUSA-N 0 3 362.430 1.089 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934757365 1005794192 /nfs/dbraw/zinc/79/41/92/1005794192.db2.gz UQRFZQRTBWLQLR-VWLOTQADSA-N 0 3 372.495 1.386 20 5 FDBDHN Cn1cc(CNC[C@H]2CCS(=O)(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237929451 178338840 /nfs/dbraw/zinc/33/88/40/178338840.db2.gz ROCCUJAWRXSXOM-GFCCVEGCSA-N 0 3 364.427 1.520 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000516392888 539025027 /nfs/dbraw/zinc/02/50/27/539025027.db2.gz XMEJRPODIRYHFU-UHFFFAOYSA-N 0 3 364.402 1.081 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000517218483 539353254 /nfs/dbraw/zinc/35/32/54/539353254.db2.gz RNXALGVHOANXFV-AWEZNQCLSA-N 0 3 362.434 1.163 20 5 FDBDHN CN(C(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000521995322 539526696 /nfs/dbraw/zinc/52/66/96/539526696.db2.gz KRQWCDCVDRPMED-MRXNPFEDSA-N 0 3 365.430 1.715 20 5 FDBDHN Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264415775 179101350 /nfs/dbraw/zinc/10/13/50/179101350.db2.gz HKATUPBKBHAFKY-OAHLLOKOSA-N 0 3 358.402 1.650 20 5 FDBDHN C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000264464796 179115160 /nfs/dbraw/zinc/11/51/60/179115160.db2.gz HJDUBYATFWGNGQ-SNVBAGLBSA-N 0 3 368.821 1.577 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000265410456 179369314 /nfs/dbraw/zinc/36/93/14/179369314.db2.gz XBXJGQSJNILDEB-JTQLQIEISA-N 0 3 350.375 1.141 20 5 FDBDHN COc1ccc(CNC(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000524937533 539672100 /nfs/dbraw/zinc/67/21/00/539672100.db2.gz XQJKDXQXHRJHRG-UHFFFAOYSA-N 0 3 367.450 1.238 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000269060286 180207766 /nfs/dbraw/zinc/20/77/66/180207766.db2.gz UKYNNRHERWJKOL-HNNXBMFYSA-N 0 3 358.402 1.365 20 5 FDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271830296 180653976 /nfs/dbraw/zinc/65/39/76/180653976.db2.gz PNBHAWSRPCEGTJ-LBPRGKRZSA-N 0 3 367.431 1.392 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934262411 781929464 /nfs/dbraw/zinc/92/94/64/781929464.db2.gz WPDIXGKUHSDPEM-SJORKVTESA-N 0 3 362.430 1.373 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934262257 781932112 /nfs/dbraw/zinc/93/21/12/781932112.db2.gz VYVUNJAJPJBHCX-DLBZAZTESA-N 0 3 362.430 1.373 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000274500332 181108043 /nfs/dbraw/zinc/10/80/43/181108043.db2.gz JBTMCTQYVZSEOD-OAHLLOKOSA-N 0 3 368.455 1.933 20 5 FDBDHN CS[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000534828348 540416298 /nfs/dbraw/zinc/41/62/98/540416298.db2.gz QMLHXRUHFNJZLJ-GJZGRUSLSA-N 0 3 352.460 1.901 20 5 FDBDHN CN(C)CCOc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccn1 ZINC000537330188 540719225 /nfs/dbraw/zinc/71/92/25/540719225.db2.gz NNDVJLHEXYUAFM-UHFFFAOYSA-N 0 3 374.353 1.911 20 5 FDBDHN COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000282862345 182067869 /nfs/dbraw/zinc/06/78/69/182067869.db2.gz QLVMHSQKUSJTTR-YVEFUNNKSA-N 0 3 366.414 1.966 20 5 FDBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546569355 542165770 /nfs/dbraw/zinc/16/57/70/542165770.db2.gz FTNPCGRMYBXWED-INIZCTEOSA-N 0 3 353.444 1.892 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000288258989 183440499 /nfs/dbraw/zinc/44/04/99/183440499.db2.gz GMEINWFJFVRYFM-ZFWWWQNUSA-N 0 3 370.413 1.874 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc21 ZINC000294845714 184013154 /nfs/dbraw/zinc/01/31/54/184013154.db2.gz YSRVWTBBUFRFIN-UHFFFAOYSA-N 0 3 364.402 1.930 20 5 FDBDHN CN(C)CCn1nccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294938749 184021277 /nfs/dbraw/zinc/02/12/77/184021277.db2.gz AGSGZVPMHWKJBZ-UHFFFAOYSA-N 0 3 353.404 1.295 20 5 FDBDHN COc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000295433995 184070892 /nfs/dbraw/zinc/07/08/92/184070892.db2.gz WBJSMUVAMAVNTR-YOGCLGLASA-N 0 3 355.416 1.507 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCCN(CCCO)C1 ZINC000295372271 184064199 /nfs/dbraw/zinc/06/41/99/184064199.db2.gz GKAUFJFRQAQNGR-LBPRGKRZSA-N 0 3 355.366 1.076 20 5 FDBDHN CCN1CCN(CCCNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296666778 184188781 /nfs/dbraw/zinc/18/87/81/184188781.db2.gz YZAGEAHNZHNNIS-UHFFFAOYSA-N 0 3 364.446 1.750 20 5 FDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296831192 184205139 /nfs/dbraw/zinc/20/51/39/184205139.db2.gz SFOQOJSMLREHPG-HNNXBMFYSA-N 0 3 353.419 1.955 20 5 FDBDHN COC(=O)Cc1ccc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000296987994 184222104 /nfs/dbraw/zinc/22/21/04/184222104.db2.gz FDZWBDRAVGQLHX-UHFFFAOYSA-N 0 3 364.446 1.384 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000297288569 184254702 /nfs/dbraw/zinc/25/47/02/184254702.db2.gz HFXBDJKJZDGDEG-IINYFYTJSA-N 0 3 352.366 1.389 20 5 FDBDHN C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297469761 184275489 /nfs/dbraw/zinc/27/54/89/184275489.db2.gz URBRVEHZEXMFDU-HIFRSBDPSA-N 0 3 350.419 1.802 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C1CC1 ZINC000297738955 184320117 /nfs/dbraw/zinc/32/01/17/184320117.db2.gz CJTDYIIPDFENJI-VIFPVBQESA-N 0 3 354.794 1.786 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000297918357 184355221 /nfs/dbraw/zinc/35/52/21/184355221.db2.gz XYBNLNAQGCCTNM-UHFFFAOYSA-N 0 3 362.346 1.822 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000547278231 542297791 /nfs/dbraw/zinc/29/77/91/542297791.db2.gz ZSIGNFUHCKJTHR-MRXNPFEDSA-N 0 3 362.411 1.515 20 5 FDBDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[n-]nc3[N+](=O)[O-])cc2)C1 ZINC000547758196 542438882 /nfs/dbraw/zinc/43/88/82/542438882.db2.gz KLFWLTMFCFYHQO-LBPRGKRZSA-N 0 3 372.385 1.268 20 5 FDBDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[n-]nc3[N+](=O)[O-])cc2)C1 ZINC000547758196 542438883 /nfs/dbraw/zinc/43/88/83/542438883.db2.gz KLFWLTMFCFYHQO-LBPRGKRZSA-N 0 3 372.385 1.268 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000550087073 543003091 /nfs/dbraw/zinc/00/30/91/543003091.db2.gz ZMVSWRMAAHCMQI-ZBFHGGJFSA-N 0 3 360.366 1.764 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000068336824 172018599 /nfs/dbraw/zinc/01/85/99/172018599.db2.gz KVXIZCMGYUXPPU-UHFFFAOYSA-N 0 3 350.419 1.503 20 5 FDBDHN C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000073818037 172069366 /nfs/dbraw/zinc/06/93/66/172069366.db2.gz DJOKJGYOAPCYHI-OAHLLOKOSA-N 0 3 363.462 1.320 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCN1CCOCC1 ZINC000074290359 172078049 /nfs/dbraw/zinc/07/80/49/172078049.db2.gz VPQJZSYOBLMFLZ-UHFFFAOYSA-N 0 3 350.419 1.496 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000074357899 172079254 /nfs/dbraw/zinc/07/92/54/172079254.db2.gz IWWBNKCYMNUNQJ-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN CN(C)CCN(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000080394150 172173182 /nfs/dbraw/zinc/17/31/82/172173182.db2.gz ARLCDOXVHBDFIS-UHFFFAOYSA-N 0 3 364.431 1.508 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000101641737 172338941 /nfs/dbraw/zinc/33/89/41/172338941.db2.gz HAJNZOOZXMJJOD-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000127539190 173081385 /nfs/dbraw/zinc/08/13/85/173081385.db2.gz FTYZXFJPQMIXBW-NFAWXSAZSA-N 0 3 362.430 1.654 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131407567 173201226 /nfs/dbraw/zinc/20/12/26/173201226.db2.gz TWDIEILLPTYRBO-KRWDZBQOSA-N 0 3 362.430 1.388 20 5 FDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133916117 173314999 /nfs/dbraw/zinc/31/49/99/173314999.db2.gz QFKFBMSJIBELIA-OAHLLOKOSA-N 0 3 360.418 1.263 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000136117555 173357354 /nfs/dbraw/zinc/35/73/54/173357354.db2.gz CNNGMVPKXYDERY-UHFFFAOYSA-N 0 3 374.397 1.013 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000136187066 173357577 /nfs/dbraw/zinc/35/75/77/173357577.db2.gz BTRYZNAWWSIQAA-APWZRJJASA-N 0 3 358.394 1.758 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000137534126 173371553 /nfs/dbraw/zinc/37/15/53/173371553.db2.gz UGJIWRNKJCYNOE-HOCLYGCPSA-N 0 3 357.414 1.961 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000154601355 173503711 /nfs/dbraw/zinc/50/37/11/173503711.db2.gz TXDRXYPTUVMOOV-HNNXBMFYSA-N 0 3 353.444 1.842 20 5 FDBDHN CC1(C)CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000175388190 174003508 /nfs/dbraw/zinc/00/35/08/174003508.db2.gz NHGKCRFHYRITGC-UHFFFAOYSA-N 0 3 362.386 1.493 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175654529 174017332 /nfs/dbraw/zinc/01/73/32/174017332.db2.gz AHJMZCXCCUONDD-UHFFFAOYSA-N 0 3 351.432 1.752 20 5 FDBDHN CCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181344419 174219120 /nfs/dbraw/zinc/21/91/20/174219120.db2.gz YFAQJAYAIIKCIA-AWEZNQCLSA-N 0 3 362.430 1.646 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173993916 258316472 /nfs/dbraw/zinc/31/64/72/258316472.db2.gz URDFGDALQCPRMK-GFCCVEGCSA-N 0 3 357.432 1.708 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174165091 258319905 /nfs/dbraw/zinc/31/99/05/258319905.db2.gz OATCYRZEHAWLGB-OAHLLOKOSA-N 0 3 363.462 1.668 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)cc1Br ZINC000178916554 258339636 /nfs/dbraw/zinc/33/96/36/258339636.db2.gz SSGQKALEMQLYAH-QMMMGPOBSA-N 0 3 364.221 1.388 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(CCOC)CCN(C)C)cc1OC ZINC000264355117 258412482 /nfs/dbraw/zinc/41/24/82/258412482.db2.gz ADJAHWISUHOQFY-UHFFFAOYSA-N 0 3 369.418 1.652 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265970883 258420802 /nfs/dbraw/zinc/42/08/02/258420802.db2.gz VFQSNWCWZAYASP-UHFFFAOYSA-N 0 3 367.402 1.453 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N(C)C1CC1 ZINC000553366623 543620171 /nfs/dbraw/zinc/62/01/71/543620171.db2.gz ZASFJTSQTXCWIE-LBPRGKRZSA-N 0 3 360.414 1.078 20 5 FDBDHN CN1CCC(n2ccc(=NC(=O)NCc3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000555577309 543979129 /nfs/dbraw/zinc/97/91/29/543979129.db2.gz NDSIXCRDWIVOMS-UHFFFAOYSA-N 0 3 358.402 2.380 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC2CCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000299239020 258982687 /nfs/dbraw/zinc/98/26/87/258982687.db2.gz LDAMQXAHGBKIQU-UHFFFAOYSA-N 0 3 372.447 1.026 20 5 FDBDHN CS[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000331117280 259176921 /nfs/dbraw/zinc/17/69/21/259176921.db2.gz NYBIJVKIUHHFDR-UONOGXRCSA-N 0 3 359.398 1.920 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000331907651 259227767 /nfs/dbraw/zinc/22/77/67/259227767.db2.gz RFFSIDNBFUILBF-OAHLLOKOSA-N 0 3 362.430 1.496 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332277013 259254391 /nfs/dbraw/zinc/25/43/91/259254391.db2.gz JZZRIEADAPDCPP-GASCZTMLSA-N 0 3 374.441 1.752 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000332477195 259269296 /nfs/dbraw/zinc/26/92/96/259269296.db2.gz OFYCTIIUCNUUQY-KGLIPLIRSA-N 0 3 362.434 1.304 20 5 FDBDHN CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367142693 260000313 /nfs/dbraw/zinc/00/03/13/260000313.db2.gz ZUQVTTPQKJWUMA-CVEARBPZSA-N 0 3 362.430 1.622 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368929395 260262585 /nfs/dbraw/zinc/26/25/85/260262585.db2.gz HMMJZVRYMDQYQB-UHFFFAOYSA-N 0 3 358.402 1.622 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000368974594 260271769 /nfs/dbraw/zinc/27/17/69/260271769.db2.gz OIARGWSXYSHHOM-ZDUSSCGKSA-N 0 3 360.414 1.534 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369345726 260344364 /nfs/dbraw/zinc/34/43/64/260344364.db2.gz LMOGJVZLYNRYKE-OAHLLOKOSA-N 0 3 362.430 1.455 20 5 FDBDHN Cc1ccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000372811363 260933394 /nfs/dbraw/zinc/93/33/94/260933394.db2.gz DYXVHPUBFFAYBD-INIZCTEOSA-N 0 3 367.471 1.644 20 5 FDBDHN CC(C)c1nccn1C[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374144911 261084352 /nfs/dbraw/zinc/08/43/52/261084352.db2.gz OSNXCIPOBXJFGP-HOCLYGCPSA-N 0 3 362.434 1.637 20 5 FDBDHN CN1CCC(Oc2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccn2)CC1 ZINC000375006372 261246316 /nfs/dbraw/zinc/24/63/16/261246316.db2.gz UMXOBMWYFWUALS-UHFFFAOYSA-N 0 3 360.374 1.298 20 5 FDBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]21 ZINC000375039756 261254276 /nfs/dbraw/zinc/25/42/76/261254276.db2.gz NKZCKKCVINCPTH-BXUZGUMPSA-N 0 3 362.386 1.288 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378369568 262012063 /nfs/dbraw/zinc/01/20/63/262012063.db2.gz KMFQBZJEMKQSRR-CYBMUJFWSA-N 0 3 361.446 1.418 20 5 FDBDHN Cc1c(F)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408310849 262092679 /nfs/dbraw/zinc/09/26/79/262092679.db2.gz UZIIACILXZAQAM-KBPBESRZSA-N 0 3 357.407 1.947 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@@H]21 ZINC000408468190 262112157 /nfs/dbraw/zinc/11/21/57/262112157.db2.gz QDOZWUVLIHTUBQ-CJNGLKHVSA-N 0 3 360.414 1.208 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270685858 674250676 /nfs/dbraw/zinc/25/06/76/674250676.db2.gz WDMDHGZBRQJHCF-LSDHHAIUSA-N 0 3 352.460 1.535 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000030496596 519371296 /nfs/dbraw/zinc/37/12/96/519371296.db2.gz SNRCZHRDSBTSPH-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000041596884 519659791 /nfs/dbraw/zinc/65/97/91/519659791.db2.gz QJRRWUYIIKNNPJ-LLVKDONJSA-N 0 3 350.375 1.142 20 5 FDBDHN CCN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000043291723 521848241 /nfs/dbraw/zinc/84/82/41/521848241.db2.gz QCWTZXHDWPDLHF-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000043937257 521911551 /nfs/dbraw/zinc/91/15/51/521911551.db2.gz VPHFIERLODYTCF-GFCCVEGCSA-N 0 3 360.414 1.456 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000046033864 522207624 /nfs/dbraw/zinc/20/76/24/522207624.db2.gz BHWUMPQILIWZNZ-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN CCOc1ccc(C(=O)NCCN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000075851662 522976512 /nfs/dbraw/zinc/97/65/12/522976512.db2.gz RKJTXQZLVJORCM-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000076639147 523152529 /nfs/dbraw/zinc/15/25/29/523152529.db2.gz UDKZFJKTRYJRFA-OAHLLOKOSA-N 0 3 360.414 1.914 20 5 FDBDHN O=C(NCCN1CCCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136528 523330695 /nfs/dbraw/zinc/33/06/95/523330695.db2.gz QPQDCZSHFMNZDZ-UHFFFAOYSA-N 0 3 358.402 1.781 20 5 FDBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068064916 523680581 /nfs/dbraw/zinc/68/05/81/523680581.db2.gz LQBIPOMUFFZHKH-GFCCVEGCSA-N 0 3 358.402 1.698 20 5 FDBDHN CCN1CCC(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000054919323 523719601 /nfs/dbraw/zinc/71/96/01/523719601.db2.gz NRFHJCNPYBDCOI-UHFFFAOYSA-N 0 3 360.212 1.154 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000068223260 523737037 /nfs/dbraw/zinc/73/70/37/523737037.db2.gz XEYSMQNTWCLUAF-AWEZNQCLSA-N 0 3 360.418 1.882 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080491734 523884852 /nfs/dbraw/zinc/88/48/52/523884852.db2.gz KOYVUKORHDGNSQ-MRXNPFEDSA-N 0 3 364.446 1.890 20 5 FDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000081152480 523944856 /nfs/dbraw/zinc/94/48/56/523944856.db2.gz WCLDQTZTVFVNFU-INIZCTEOSA-N 0 3 370.409 1.489 20 5 FDBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000134932638 524096164 /nfs/dbraw/zinc/09/61/64/524096164.db2.gz BEORBFRLWQMYBW-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000110698372 524124467 /nfs/dbraw/zinc/12/44/67/524124467.db2.gz OGAVUBTUBKHIAZ-YPMHNXCESA-N 0 3 364.402 1.391 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000136996697 524223257 /nfs/dbraw/zinc/22/32/57/524223257.db2.gz RFNIFRCABMNQLV-LBPRGKRZSA-N 0 3 353.444 1.751 20 5 FDBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157665780 524317148 /nfs/dbraw/zinc/31/71/48/524317148.db2.gz OQGPAHJAPHOMBN-RISCZKNCSA-N 0 3 350.423 1.763 20 5 FDBDHN C[C@H](NC(=O)NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000111831406 524349681 /nfs/dbraw/zinc/34/96/81/524349681.db2.gz KDQXKDVLKYNJIS-ZDUSSCGKSA-N 0 3 350.419 1.659 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000085457579 524359515 /nfs/dbraw/zinc/35/95/15/524359515.db2.gz YOYHMQZOSLXHKF-ZIAGYGMSSA-N 0 3 367.450 1.532 20 5 FDBDHN O=C(C[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000121805312 524368004 /nfs/dbraw/zinc/36/80/04/524368004.db2.gz CWHPLSPCLIPGSW-JSGCOSHPSA-N 0 3 364.427 1.951 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146600773 524418819 /nfs/dbraw/zinc/41/88/19/524418819.db2.gz ONXXLFCVJPXDLN-CYBMUJFWSA-N 0 3 355.416 1.462 20 5 FDBDHN COCCN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000148565737 524450972 /nfs/dbraw/zinc/45/09/72/524450972.db2.gz KDNNVTIZYXUUGA-UHFFFAOYSA-N 0 3 364.402 1.069 20 5 FDBDHN O=C(C[C@@H]1CSCCN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174437451 524577911 /nfs/dbraw/zinc/57/79/11/524577911.db2.gz FYCZHKRPMSZLFV-CYBMUJFWSA-N 0 3 350.444 1.339 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000151630551 524635248 /nfs/dbraw/zinc/63/52/48/524635248.db2.gz NNNXUNHVGZBHHS-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151630824 524636903 /nfs/dbraw/zinc/63/69/03/524636903.db2.gz RYGAZKOYHQWNOZ-GFCCVEGCSA-N 0 3 357.407 1.840 20 5 FDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749468 524721549 /nfs/dbraw/zinc/72/15/49/524721549.db2.gz MSDLJYWEICJTMU-MRXNPFEDSA-N 0 3 363.374 1.971 20 5 FDBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114140905 524745943 /nfs/dbraw/zinc/74/59/43/524745943.db2.gz GNPBYCOHWOKLMZ-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN CCN1CCC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000152099954 524778599 /nfs/dbraw/zinc/77/85/99/524778599.db2.gz BGWVFYKUKVOHIU-LBPRGKRZSA-N 0 3 356.448 1.741 20 5 FDBDHN Cn1cc(CN[C@@H]2CC(=O)N(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174931689 524801732 /nfs/dbraw/zinc/80/17/32/524801732.db2.gz FKJUYZJBTANIDN-CQSZACIVSA-N 0 3 355.398 1.848 20 5 FDBDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000093280302 524978622 /nfs/dbraw/zinc/97/86/22/524978622.db2.gz OCIHFKAHFYSYBV-OCCSQVGLSA-N 0 3 354.407 1.063 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277194 525126315 /nfs/dbraw/zinc/12/63/15/525126315.db2.gz KXYAIUFQHABFEF-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN Cc1c(C(=O)NCCN2CCC(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000125696030 525225856 /nfs/dbraw/zinc/22/58/56/525225856.db2.gz BBCQOAAIEWHVMA-UHFFFAOYSA-N 0 3 372.429 1.946 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000162228656 525229421 /nfs/dbraw/zinc/22/94/21/525229421.db2.gz PDIZDFDJUMYTLH-MRXNPFEDSA-N 0 3 350.394 1.472 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153704431 525293724 /nfs/dbraw/zinc/29/37/24/525293724.db2.gz MIFHSUGJJSBMBX-UHFFFAOYSA-N 0 3 355.826 1.634 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000104528671 525416751 /nfs/dbraw/zinc/41/67/51/525416751.db2.gz WHJGMLQLXRRLON-AWEZNQCLSA-N 0 3 364.446 1.759 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104533391 525416991 /nfs/dbraw/zinc/41/69/91/525416991.db2.gz UCLQIMHGCVVERG-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN Cc1nn(C)c(N2CCOCC2)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000105448153 525508802 /nfs/dbraw/zinc/50/88/02/525508802.db2.gz GQOPFYLLGDAJDS-UHFFFAOYSA-N 0 3 359.430 1.806 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000118721738 525530094 /nfs/dbraw/zinc/53/00/94/525530094.db2.gz ZCTNXVXUAKAJHT-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000180873697 525768306 /nfs/dbraw/zinc/76/83/06/525768306.db2.gz XFBKYECPQZSKPH-OAHLLOKOSA-N 0 3 373.413 1.215 20 5 FDBDHN COCCCN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171200035 525892937 /nfs/dbraw/zinc/89/29/37/525892937.db2.gz NAMHZEIHEAPDOK-UHFFFAOYSA-N 0 3 350.419 1.895 20 5 FDBDHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000108121002 525936391 /nfs/dbraw/zinc/93/63/91/525936391.db2.gz IHOBRNJVGHEAQW-SNVBAGLBSA-N 0 3 365.419 1.262 20 5 FDBDHN Cc1c(C(=O)NC[C@H]2CCCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000108337508 525954746 /nfs/dbraw/zinc/95/47/46/525954746.db2.gz FIIQKCZBODEDAU-CYBMUJFWSA-N 0 3 358.402 1.556 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171720853 526094080 /nfs/dbraw/zinc/09/40/80/526094080.db2.gz ZJXRZPYSIGGEHU-UHFFFAOYSA-N 0 3 363.418 1.613 20 5 FDBDHN CC(C)(C)OC1CC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000156371860 526122071 /nfs/dbraw/zinc/12/20/71/526122071.db2.gz UVDUIFGVYBUXQQ-UHFFFAOYSA-N 0 3 371.459 1.809 20 5 FDBDHN C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182405806 526163190 /nfs/dbraw/zinc/16/31/90/526163190.db2.gz DZPVBCZVHJXIBR-OAHLLOKOSA-N 0 3 363.462 1.935 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134898363 526199380 /nfs/dbraw/zinc/19/93/80/526199380.db2.gz KDEGFNKFWUJDNY-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCN2CCCCCC2)cc1 ZINC000183478334 535989153 /nfs/dbraw/zinc/98/91/53/535989153.db2.gz BSBOIBNATIWKJZ-UHFFFAOYSA-N 0 3 355.460 1.933 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H](C)O1 ZINC000183601933 536011973 /nfs/dbraw/zinc/01/19/73/536011973.db2.gz PKHUULDEBCDXGS-TXEJJXNPSA-N 0 3 351.407 1.191 20 5 FDBDHN CN(CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000185705900 536215675 /nfs/dbraw/zinc/21/56/75/536215675.db2.gz YROBALFYOOLWBU-UHFFFAOYSA-N 0 3 370.475 1.241 20 5 FDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000187345380 536262688 /nfs/dbraw/zinc/26/26/88/536262688.db2.gz HEOOAEFBNLAOSC-LBPRGKRZSA-N 0 3 373.500 1.994 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000188646594 536920028 /nfs/dbraw/zinc/92/00/28/536920028.db2.gz JOXHTZWTMSGTRO-UHFFFAOYSA-N 0 3 364.446 1.669 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)c([N+](=O)[O-])c1 ZINC000267726674 536991566 /nfs/dbraw/zinc/99/15/66/536991566.db2.gz DSLCQPBVILUJCR-UHFFFAOYSA-N 0 3 364.383 1.644 20 5 FDBDHN COc1ccc(OCCN2CCN(CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000189475434 537053566 /nfs/dbraw/zinc/05/35/66/537053566.db2.gz BQCIUCKEDFPULW-AWEZNQCLSA-N 0 3 367.446 1.759 20 5 FDBDHN CS(=O)(=O)N1CC(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000189707726 537083866 /nfs/dbraw/zinc/08/38/66/537083866.db2.gz VMULODJIDWMCNG-UHFFFAOYSA-N 0 3 365.411 1.836 20 5 FDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247304568 537105166 /nfs/dbraw/zinc/10/51/66/537105166.db2.gz LOSLJKCPKOAJSE-HEHGZKQESA-N 0 3 362.430 1.558 20 5 FDBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189900275 537112967 /nfs/dbraw/zinc/11/29/67/537112967.db2.gz UUTLQXDXRWBCQW-AWEZNQCLSA-N 0 3 364.446 1.700 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000263873645 537124363 /nfs/dbraw/zinc/12/43/63/537124363.db2.gz USPCQGLYXJVXMA-RHSMWYFYSA-N 0 3 374.441 1.800 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000248833883 537214679 /nfs/dbraw/zinc/21/46/79/537214679.db2.gz MWKKRIAAGHTUBF-WMLDXEAASA-N 0 3 357.414 1.818 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000191954907 537215646 /nfs/dbraw/zinc/21/56/46/537215646.db2.gz HYRALKKXLLHAQK-UHFFFAOYSA-N 0 3 373.413 1.785 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870296 537348882 /nfs/dbraw/zinc/34/88/82/537348882.db2.gz UXORWUFHHFVWAV-UXIGCNINSA-N 0 3 363.418 1.191 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1N(C)C ZINC000270535243 537351238 /nfs/dbraw/zinc/35/12/38/537351238.db2.gz WGEDWNQHELESAT-CABCVRRESA-N 0 3 352.460 1.778 20 5 FDBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCOC ZINC000270713003 537369694 /nfs/dbraw/zinc/36/96/94/537369694.db2.gz PBJQRDSNYBADRG-UHFFFAOYSA-N 0 3 371.459 1.641 20 5 FDBDHN CN1C(=O)NC2(CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000270898069 537391221 /nfs/dbraw/zinc/39/12/21/537391221.db2.gz MFFVQZVUQWAJHC-UHFFFAOYSA-N 0 3 362.386 1.380 20 5 FDBDHN CC(C)OCCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290858650 537433322 /nfs/dbraw/zinc/43/33/22/537433322.db2.gz YILVNWNLUSKAMG-UHFFFAOYSA-N 0 3 351.407 1.390 20 5 FDBDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000280737111 537452441 /nfs/dbraw/zinc/45/24/41/537452441.db2.gz LWTWIAZVBZXMEE-DGCLKSJQSA-N 0 3 365.386 1.673 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CN2CCCC2)C1 ZINC000276373371 537457266 /nfs/dbraw/zinc/45/72/66/537457266.db2.gz XKEAQHPTPQUPAB-CYBMUJFWSA-N 0 3 353.444 1.920 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000281497839 537552434 /nfs/dbraw/zinc/55/24/34/537552434.db2.gz QIZULOLUFAQHKE-UHFFFAOYSA-N 0 3 364.402 1.485 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281496185 537552622 /nfs/dbraw/zinc/55/26/22/537552622.db2.gz XSBDVPMOGBXBLG-OCCSQVGLSA-N 0 3 362.386 1.662 20 5 FDBDHN Cn1cc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000365654995 537564560 /nfs/dbraw/zinc/56/45/60/537564560.db2.gz SXBDONUFHXQHBC-BBRMVZONSA-N 0 3 355.398 1.563 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@H](CO)C1 ZINC000291387365 537571446 /nfs/dbraw/zinc/57/14/46/537571446.db2.gz BERFDVLSAQSRLQ-NSHDSACASA-N 0 3 373.356 1.882 20 5 FDBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289513145 537573589 /nfs/dbraw/zinc/57/35/89/537573589.db2.gz LXGKPLRGZMKGNR-LBPRGKRZSA-N 0 3 351.359 1.403 20 5 FDBDHN C[C@H]1CN(CCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCCO1 ZINC000277746201 537620143 /nfs/dbraw/zinc/62/01/43/537620143.db2.gz USKRRMFGWQXGPN-LBPRGKRZSA-N 0 3 372.447 1.155 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293952808 537630423 /nfs/dbraw/zinc/63/04/23/537630423.db2.gz SCMYMFQEWOCPOB-DLBZAZTESA-N 0 3 362.430 1.353 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000294127021 537662572 /nfs/dbraw/zinc/66/25/72/537662572.db2.gz PXLYQPKWOLZBHD-UHFFFAOYSA-N 0 3 356.386 1.946 20 5 FDBDHN C[C@H](c1ccccc1)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292298290 537726404 /nfs/dbraw/zinc/72/64/04/537726404.db2.gz UQYZQPLNBZLSKR-XUWXXGDYSA-N 0 3 373.409 1.582 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCC2(CC1)NC(=O)NC2=O ZINC000285606948 537736224 /nfs/dbraw/zinc/73/62/24/537736224.db2.gz XAOAMGBBRZKGPQ-UHFFFAOYSA-N 0 3 362.386 1.604 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000371362357 537822150 /nfs/dbraw/zinc/82/21/50/537822150.db2.gz VRYPIUDHBXKZHV-KBPBESRZSA-N 0 3 371.397 1.374 20 5 FDBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000418996057 537883750 /nfs/dbraw/zinc/88/37/50/537883750.db2.gz DORUYWLGSJJXIV-UHFFFAOYSA-N 0 3 368.459 1.885 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000372728284 538013307 /nfs/dbraw/zinc/01/33/07/538013307.db2.gz RRQITIWEFQVPJN-LBPRGKRZSA-N 0 3 352.391 1.524 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)CCN(C)C ZINC000420017962 538189863 /nfs/dbraw/zinc/18/98/63/538189863.db2.gz PFXLXJRFMWJYQF-MAUKXSAKSA-N 0 3 351.447 1.982 20 5 FDBDHN O=C(NC[C@@H]1CNCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000423985896 538202894 /nfs/dbraw/zinc/20/28/94/538202894.db2.gz DTBDKYOYHJNDHF-JTQLQIEISA-N 0 3 363.292 1.254 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424244759 538264935 /nfs/dbraw/zinc/26/49/35/538264935.db2.gz SZNATBWPUNSYMQ-UONOGXRCSA-N 0 3 361.427 1.617 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420379757 538281655 /nfs/dbraw/zinc/28/16/55/538281655.db2.gz NKIKZKIKUMPMBJ-WBMJQRKESA-N 0 3 373.417 1.309 20 5 FDBDHN NC(=O)CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOc2ccccc21 ZINC000451715805 538310318 /nfs/dbraw/zinc/31/03/18/538310318.db2.gz QWSGUJLLNLVRMD-CQSZACIVSA-N 0 3 359.386 1.493 20 5 FDBDHN CC(C)(C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000434675749 538340926 /nfs/dbraw/zinc/34/09/26/538340926.db2.gz MZMBLAQRHJNKPO-UHFFFAOYSA-N 0 3 370.373 1.409 20 5 FDBDHN CN(CCCn1ccnc1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420974562 538370049 /nfs/dbraw/zinc/37/00/49/538370049.db2.gz OXNIEJWLDCCUGT-UHFFFAOYSA-N 0 3 367.431 1.092 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452349974 538378269 /nfs/dbraw/zinc/37/82/69/538378269.db2.gz NRDRICZFIVZSEW-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCSC1 ZINC000421384903 538400146 /nfs/dbraw/zinc/40/01/46/538400146.db2.gz MREAJTNGQWBONE-LBPRGKRZSA-N 0 3 359.473 1.558 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000496273706 538695512 /nfs/dbraw/zinc/69/55/12/538695512.db2.gz UYFQOFMLUNUMDB-CYBMUJFWSA-N 0 3 354.455 1.627 20 5 FDBDHN COC(=O)COc1ccc(CNCCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000473998112 538812061 /nfs/dbraw/zinc/81/20/61/538812061.db2.gz ZWILDINSUGUXMI-UHFFFAOYSA-N 0 3 363.414 1.888 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCO1 ZINC000470104081 538828282 /nfs/dbraw/zinc/82/82/82/538828282.db2.gz IUKHADSEMVMUJG-CYBMUJFWSA-N 0 3 353.423 1.144 20 5 FDBDHN O=C([C@H]1CNCc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563097455 546402811 /nfs/dbraw/zinc/40/28/11/546402811.db2.gz RGOQQDQLHIODSF-INIZCTEOSA-N 0 3 355.398 1.842 20 5 FDBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](CN)C1 ZINC000563490673 546555166 /nfs/dbraw/zinc/55/51/66/546555166.db2.gz PPTMWGRXWTXQJB-SNVBAGLBSA-N 0 3 361.324 1.720 20 5 FDBDHN Cc1ccc([C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000564847115 547065206 /nfs/dbraw/zinc/06/52/06/547065206.db2.gz JEYZSTNAOTUUBZ-JKSUJKDBSA-N 0 3 363.418 1.480 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCNC[C@@H]1C(F)F ZINC000564987333 547146562 /nfs/dbraw/zinc/14/65/62/547146562.db2.gz XWTLUVPPMAGKAE-GFCCVEGCSA-N 0 3 356.329 1.432 20 5 FDBDHN CCc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000566066015 547586333 /nfs/dbraw/zinc/58/63/33/547586333.db2.gz WIRXEZBMUPLWRT-MRXNPFEDSA-N 0 3 353.444 1.874 20 5 FDBDHN CCc1nn(C)c(CC)c1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566111654 547609066 /nfs/dbraw/zinc/60/90/66/547609066.db2.gz KIBKONHTWUHQLD-CQSZACIVSA-N 0 3 362.430 1.983 20 5 FDBDHN CCN(CC)CC[C@H](CO)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000566581614 547815745 /nfs/dbraw/zinc/81/57/45/547815745.db2.gz FZOJQEMCUGHPGD-SNVBAGLBSA-N 0 3 365.477 1.565 20 5 FDBDHN CC[C@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000567405336 548107171 /nfs/dbraw/zinc/10/71/71/548107171.db2.gz VAWMTCOCKPXRIK-OAHLLOKOSA-N 0 3 360.418 1.796 20 5 FDBDHN CNC(=O)c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568621573 548609631 /nfs/dbraw/zinc/60/96/31/548609631.db2.gz VCCBINJQJYDZEJ-MRXNPFEDSA-N 0 3 359.382 1.484 20 5 FDBDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000578470238 550766700 /nfs/dbraw/zinc/76/67/00/550766700.db2.gz VCIGFYKTAORRMQ-SWHYSGLUSA-N 0 3 366.336 1.872 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000579642099 550895189 /nfs/dbraw/zinc/89/51/89/550895189.db2.gz QHTQKFLTSQLYJF-UHFFFAOYSA-N 0 3 350.400 1.922 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000581365045 551080656 /nfs/dbraw/zinc/08/06/56/551080656.db2.gz AYYOEAAHSZDZBC-LBPRGKRZSA-N 0 3 350.400 1.239 20 5 FDBDHN CCc1nn(C)c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582262534 551198540 /nfs/dbraw/zinc/19/85/40/551198540.db2.gz DMLPUYPSACYNNG-SFHVURJKSA-N 0 3 359.430 1.940 20 5 FDBDHN O=C([C@H]1CNCc2ccccc21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583379321 551342800 /nfs/dbraw/zinc/34/28/00/551342800.db2.gz PYDPYKHJXMCKSF-PBHICJAKSA-N 0 3 367.409 1.890 20 5 FDBDHN CCC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1CCOC ZINC000588009519 551640689 /nfs/dbraw/zinc/64/06/89/551640689.db2.gz QZVHGKJBJYLQDF-AWEZNQCLSA-N 0 3 352.435 1.606 20 5 FDBDHN CN(CCCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccncc1 ZINC000588881940 551696054 /nfs/dbraw/zinc/69/60/54/551696054.db2.gz CXPJUABYRDYZMZ-UHFFFAOYSA-N 0 3 373.413 1.132 20 5 FDBDHN CN(C)CCn1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000588910176 551698502 /nfs/dbraw/zinc/69/85/02/551698502.db2.gz WSBZRQUOESWDKH-UHFFFAOYSA-N 0 3 353.329 1.812 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210414 551764943 /nfs/dbraw/zinc/76/49/43/551764943.db2.gz ZUUWTZJVIQCQIA-ROUUACIJSA-N 0 3 363.414 1.751 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000590751993 551812106 /nfs/dbraw/zinc/81/21/06/551812106.db2.gz DOPBBRWUJMECGA-OLZOCXBDSA-N 0 3 365.386 1.863 20 5 FDBDHN O=C([C@@H]1CNCCC1(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675197 551895398 /nfs/dbraw/zinc/89/53/98/551895398.db2.gz YMNYFPOGBPEHQX-LBPRGKRZSA-N 0 3 354.357 1.488 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000591983875 551923449 /nfs/dbraw/zinc/92/34/49/551923449.db2.gz BJFBRFGHVUAUTN-SECBINFHSA-N 0 3 372.223 1.309 20 5 FDBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)Cn1cccn1)[C@H]1CC[C@H](O)CC1 ZINC000592130354 551947288 /nfs/dbraw/zinc/94/72/88/551947288.db2.gz FBEQROCYJZNLKF-BZSNNMDCSA-N 0 3 374.441 1.958 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000592488068 552000793 /nfs/dbraw/zinc/00/07/93/552000793.db2.gz HQJCUOFODPJZGC-OAHLLOKOSA-N 0 3 351.403 1.719 20 5 FDBDHN C[C@@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000592870906 552037115 /nfs/dbraw/zinc/03/71/15/552037115.db2.gz HDISHAHATQWOAK-NEPJUHHUSA-N 0 3 366.393 1.416 20 5 FDBDHN CSc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592879319 552038308 /nfs/dbraw/zinc/03/83/08/552038308.db2.gz KVHOVLDUCOTCAH-LLVKDONJSA-N 0 3 366.443 1.509 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000592880943 552038705 /nfs/dbraw/zinc/03/87/05/552038705.db2.gz QDGHDHOQBUZQCH-NSHDSACASA-N 0 3 366.443 1.509 20 5 FDBDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593091958 552060805 /nfs/dbraw/zinc/06/08/05/552060805.db2.gz NYFVKTCGGPBLFO-ZFWWWQNUSA-N 0 3 368.434 1.739 20 5 FDBDHN CC(C)CN(C)CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000593203423 552072300 /nfs/dbraw/zinc/07/23/00/552072300.db2.gz BYNSHPKSMHQWKV-UHFFFAOYSA-N 0 3 371.459 1.706 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593235662 552075433 /nfs/dbraw/zinc/07/54/33/552075433.db2.gz YRXMVSRFMGVLQD-UHFFFAOYSA-N 0 3 366.443 1.163 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnnn2CCN(C)C)c1 ZINC000593423866 552106592 /nfs/dbraw/zinc/10/65/92/552106592.db2.gz MVNZECBXSFMOER-UHFFFAOYSA-N 0 3 366.403 1.222 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000593576342 552140789 /nfs/dbraw/zinc/14/07/89/552140789.db2.gz QZHOYABMQSABBG-QWHCGFSZSA-N 0 3 368.459 1.921 20 5 FDBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000593576342 552140793 /nfs/dbraw/zinc/14/07/93/552140793.db2.gz QZHOYABMQSABBG-QWHCGFSZSA-N 0 3 368.459 1.921 20 5 FDBDHN COC[C@H](CC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593596475 552147153 /nfs/dbraw/zinc/14/71/53/552147153.db2.gz BTUYGSJNVLMWJX-ZDUSSCGKSA-N 0 3 373.475 1.914 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN1CCCCC1 ZINC000593884991 552216722 /nfs/dbraw/zinc/21/67/22/552216722.db2.gz ZDWTWOORLINKNV-CQSZACIVSA-N 0 3 366.466 1.772 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCNCC2(C)C)c1 ZINC000593903312 552222312 /nfs/dbraw/zinc/22/23/12/552222312.db2.gz ZJTCJBJLTYSKLQ-UHFFFAOYSA-N 0 3 357.414 1.972 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594327980 552289788 /nfs/dbraw/zinc/28/97/88/552289788.db2.gz YINMQLCITVTKOV-ZBFHGGJFSA-N 0 3 360.414 1.975 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594621964 552343080 /nfs/dbraw/zinc/34/30/80/552343080.db2.gz KVHJGIZMIMHNIK-WBVHZDCISA-N 0 3 374.441 1.653 20 5 FDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000594713190 552361617 /nfs/dbraw/zinc/36/16/17/552361617.db2.gz YVGOVUPYAOMKIR-BLLLJJGKSA-N 0 3 351.403 1.953 20 5 FDBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749424 552370023 /nfs/dbraw/zinc/37/00/23/552370023.db2.gz VAYJQSOBUYRDLM-UHFFFAOYSA-N 0 3 358.464 1.978 20 5 FDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594782666 552382956 /nfs/dbraw/zinc/38/29/56/552382956.db2.gz INXSUMOZEGPANP-UHFFFAOYSA-N 0 3 352.416 1.762 20 5 FDBDHN CNC(=O)CN1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595009422 552436766 /nfs/dbraw/zinc/43/67/66/552436766.db2.gz YWBDQEGJILKAGA-LBPRGKRZSA-N 0 3 350.419 1.464 20 5 FDBDHN CNC(=O)CN1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595009421 552436826 /nfs/dbraw/zinc/43/68/26/552436826.db2.gz YWBDQEGJILKAGA-GFCCVEGCSA-N 0 3 350.419 1.464 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000595469622 552567720 /nfs/dbraw/zinc/56/77/20/552567720.db2.gz RJQMAISINJSPBC-QGZVFWFLSA-N 0 3 362.430 1.690 20 5 FDBDHN O=C(CN[C@H](C1CC1)C1(CO)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595597767 552590665 /nfs/dbraw/zinc/59/06/65/552590665.db2.gz VDHFOKRKEHQUSX-QGZVFWFLSA-N 0 3 363.414 1.691 20 5 FDBDHN COC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000595616451 552593334 /nfs/dbraw/zinc/59/33/34/552593334.db2.gz NVTXWGAAARBLQC-HNNXBMFYSA-N 0 3 352.387 1.913 20 5 FDBDHN COC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000595617667 552593631 /nfs/dbraw/zinc/59/36/31/552593631.db2.gz XZTOPURSJNBJCK-INIZCTEOSA-N 0 3 351.403 1.589 20 5 FDBDHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595834481 552621892 /nfs/dbraw/zinc/62/18/92/552621892.db2.gz ZZUDSYSOBGEBDD-GOEBONIOSA-N 0 3 363.414 1.279 20 5 FDBDHN O=C(c1cccc2c1CNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595915184 552632699 /nfs/dbraw/zinc/63/26/99/552632699.db2.gz KWXQZMTYPZSIFH-UHFFFAOYSA-N 0 3 353.382 1.555 20 5 FDBDHN O=C(c1cc2c(s1)CCNC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595927697 552634370 /nfs/dbraw/zinc/63/43/70/552634370.db2.gz FBABTCKOEDEVQZ-UHFFFAOYSA-N 0 3 361.427 1.976 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000595947439 552636984 /nfs/dbraw/zinc/63/69/84/552636984.db2.gz LPUNJOCLWLVSEX-UHFFFAOYSA-N 0 3 372.385 1.079 20 5 FDBDHN CN(CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000596089536 552653872 /nfs/dbraw/zinc/65/38/72/552653872.db2.gz OKWZTSQGSUENDS-UHFFFAOYSA-N 0 3 364.427 1.786 20 5 FDBDHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596167148 552661538 /nfs/dbraw/zinc/66/15/38/552661538.db2.gz FAIIAMMUOWFIMY-CYBMUJFWSA-N 0 3 365.434 1.317 20 5 FDBDHN CN(C)CCN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1=O ZINC000596291399 552671408 /nfs/dbraw/zinc/67/14/08/552671408.db2.gz WGLKVVWEFRXGRV-UHFFFAOYSA-N 0 3 360.336 1.824 20 5 FDBDHN COc1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597694569 552823057 /nfs/dbraw/zinc/82/30/57/552823057.db2.gz LHCDNBBOHPRHOC-HOCLYGCPSA-N 0 3 363.414 1.468 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598195597 552875138 /nfs/dbraw/zinc/87/51/38/552875138.db2.gz OYQKHPIBDBMENT-KRWDZBQOSA-N 0 3 371.441 1.875 20 5 FDBDHN CC(C)(C)N1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598632683 552918558 /nfs/dbraw/zinc/91/85/58/552918558.db2.gz CLEIBIDZJQJGIT-LBPRGKRZSA-N 0 3 350.423 1.506 20 5 FDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599110753 552969130 /nfs/dbraw/zinc/96/91/30/552969130.db2.gz OBBDLECTTKOORY-IONNQARKSA-N 0 3 364.221 1.386 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165253 552977622 /nfs/dbraw/zinc/97/76/22/552977622.db2.gz PDMIIZSTFRUPNB-CYBMUJFWSA-N 0 3 368.459 1.932 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599412212 553050876 /nfs/dbraw/zinc/05/08/76/553050876.db2.gz HLDLOMGEFDEURU-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1ccc(C(C)(C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000599599345 553099430 /nfs/dbraw/zinc/09/94/30/553099430.db2.gz NSFVKGIHMRSFRO-ZDUSSCGKSA-N 0 3 352.366 1.825 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599708833 553127030 /nfs/dbraw/zinc/12/70/30/553127030.db2.gz NWQUBFCFQGMQSC-ZDUSSCGKSA-N 0 3 360.208 1.400 20 5 FDBDHN CN(C)CCOCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599738981 553134930 /nfs/dbraw/zinc/13/49/30/553134930.db2.gz YTDDGYYKLXZZMO-UHFFFAOYSA-N 0 3 365.365 1.228 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000601138796 553351828 /nfs/dbraw/zinc/35/18/28/553351828.db2.gz YNLJFIIWAMDXHY-UHFFFAOYSA-N 0 3 364.421 1.834 20 5 FDBDHN Cc1cccc(CN2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601852190 553481155 /nfs/dbraw/zinc/48/11/55/553481155.db2.gz YFWPUFMUPPUZKF-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCN2CCOCC2)CC1 ZINC000602764659 553633265 /nfs/dbraw/zinc/63/32/65/553633265.db2.gz FYJHRXCTKBOADO-UHFFFAOYSA-N 0 3 351.451 1.534 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000602840117 553648246 /nfs/dbraw/zinc/64/82/46/553648246.db2.gz JDOXSUOCUYXEJO-INIZCTEOSA-N 0 3 374.445 1.729 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3nccs3)CC2)c1 ZINC000602952758 553678474 /nfs/dbraw/zinc/67/84/74/553678474.db2.gz AVJBNOOOLIQMID-CQSZACIVSA-N 0 3 351.432 1.563 20 5 FDBDHN COC[C@@]1(C(=O)OC(C)(C)C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602963895 553681655 /nfs/dbraw/zinc/68/16/55/553681655.db2.gz JRGGJVPFRQWOKD-QGZVFWFLSA-N 0 3 368.434 1.780 20 5 FDBDHN CCN1CCC[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000604270684 553858870 /nfs/dbraw/zinc/85/88/70/553858870.db2.gz KXFUKBJQEYHIQH-OAHLLOKOSA-N 0 3 362.430 1.963 20 5 FDBDHN O=C(C1CC1)N1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000604532521 553885135 /nfs/dbraw/zinc/88/51/35/553885135.db2.gz YJUKOAWYRQHOJZ-UHFFFAOYSA-N 0 3 361.398 1.857 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609018315 554333869 /nfs/dbraw/zinc/33/38/69/554333869.db2.gz UEUFKIVHISRELK-HNNXBMFYSA-N 0 3 358.402 1.530 20 5 FDBDHN COCC(=O)N1CCC([NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC000609222724 554350938 /nfs/dbraw/zinc/35/09/38/554350938.db2.gz FLVPGIYHLOWFGR-UHFFFAOYSA-N 0 3 353.375 1.036 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609405201 554374627 /nfs/dbraw/zinc/37/46/27/554374627.db2.gz PTWYWUPEYPQPQG-GFCCVEGCSA-N 0 3 362.386 1.142 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000609963441 554444912 /nfs/dbraw/zinc/44/49/12/554444912.db2.gz LNUUGSKCDKPLHF-LBPRGKRZSA-N 0 3 352.391 1.689 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCN1C ZINC000610178047 554471325 /nfs/dbraw/zinc/47/13/25/554471325.db2.gz MEAABBMMWXBLFN-RYUDHWBXSA-N 0 3 374.397 1.132 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000610209068 554473860 /nfs/dbraw/zinc/47/38/60/554473860.db2.gz QZKGAAAJICJFFF-GHMZBOCLSA-N 0 3 368.821 1.577 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000610263126 554483952 /nfs/dbraw/zinc/48/39/52/554483952.db2.gz CXDOZBFOLLNKTG-ZDUSSCGKSA-N 0 3 354.432 1.629 20 5 FDBDHN COCCN(Cc1ccc(C)cc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368266 554496380 /nfs/dbraw/zinc/49/63/80/554496380.db2.gz UZTDOBVTMBHXLW-SFHVURJKSA-N 0 3 362.430 1.918 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000611402274 554631318 /nfs/dbraw/zinc/63/13/18/554631318.db2.gz RZLCNQOAGBWXCK-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000611565162 554647140 /nfs/dbraw/zinc/64/71/40/554647140.db2.gz CWAPMVKAPAJAOF-LLVKDONJSA-N 0 3 367.431 1.440 20 5 FDBDHN Cc1c(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000481475392 567978742 /nfs/dbraw/zinc/97/87/42/567978742.db2.gz DAEGSUKMAGRHLM-GFCCVEGCSA-N 0 3 370.427 1.502 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000366034555 568262937 /nfs/dbraw/zinc/26/29/37/568262937.db2.gz RZSJBIXOUHRSMH-CQSZACIVSA-N 0 3 364.421 1.834 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639552 607302670 /nfs/dbraw/zinc/30/26/70/607302670.db2.gz DFDBGPZNUOKMMO-ZDUSSCGKSA-N 0 3 359.390 1.440 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639552 607302671 /nfs/dbraw/zinc/30/26/71/607302671.db2.gz DFDBGPZNUOKMMO-ZDUSSCGKSA-N 0 3 359.390 1.440 20 5 FDBDHN C[NH+](C)CCOC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736768949 598755877 /nfs/dbraw/zinc/75/58/77/598755877.db2.gz KHQQDGZXPVZGEM-UHFFFAOYSA-N 0 3 361.406 1.322 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646837 607472634 /nfs/dbraw/zinc/47/26/34/607472634.db2.gz BAIJHUOIUDTXHY-XHDPSFHLSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823646837 607472636 /nfs/dbraw/zinc/47/26/36/607472636.db2.gz BAIJHUOIUDTXHY-XHDPSFHLSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646837 607472638 /nfs/dbraw/zinc/47/26/38/607472638.db2.gz BAIJHUOIUDTXHY-XHDPSFHLSA-N 0 3 370.417 1.623 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823646837 607472639 /nfs/dbraw/zinc/47/26/39/607472639.db2.gz BAIJHUOIUDTXHY-XHDPSFHLSA-N 0 3 370.417 1.623 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000275630417 674627183 /nfs/dbraw/zinc/62/71/83/674627183.db2.gz QDNUXMPJQXFQLQ-RYUDHWBXSA-N 0 3 350.375 1.176 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172178695 672064836 /nfs/dbraw/zinc/06/48/36/672064836.db2.gz RZLFQDBCRQCVMW-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCNCC1 ZINC000262003750 672710270 /nfs/dbraw/zinc/71/02/70/672710270.db2.gz UJGQLWNDTCYNKJ-CQSZACIVSA-N 0 3 366.849 1.892 20 5 FDBDHN CN1CCCC[C@H]1CCN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000289624636 676159841 /nfs/dbraw/zinc/15/98/41/676159841.db2.gz VJDSNBOCGKMRHR-NSHDSACASA-N 0 3 353.400 1.614 20 5 FDBDHN CCc1nn(C)c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364291289 677005352 /nfs/dbraw/zinc/00/53/52/677005352.db2.gz OZZROVSJCLLKOF-UKRRQHHQSA-N 0 3 350.467 1.353 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377995279 678667494 /nfs/dbraw/zinc/66/74/94/678667494.db2.gz OQQDVWPZAVNUSN-UKRRQHHQSA-N 0 3 352.387 1.466 20 5 FDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411822836 679077631 /nfs/dbraw/zinc/07/76/31/679077631.db2.gz VJTDTKCXTTVSEZ-UHFFFAOYSA-N 0 3 352.391 1.436 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411984379 679139564 /nfs/dbraw/zinc/13/95/64/679139564.db2.gz CXHNRZJMBVOMTG-GZBFAFLISA-N 0 3 351.403 1.607 20 5 FDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416469505 679633570 /nfs/dbraw/zinc/63/35/70/679633570.db2.gz DGSANMAQVAZEAP-NSHDSACASA-N 0 3 373.431 1.390 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000473987449 685354298 /nfs/dbraw/zinc/35/42/98/685354298.db2.gz NFJJIVWVXLVBKF-SUMWQHHRSA-N 0 3 350.371 1.804 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432332993 681153291 /nfs/dbraw/zinc/15/32/91/681153291.db2.gz FCPVYOQOQIPZFM-AWEZNQCLSA-N 0 3 352.822 1.991 20 5 FDBDHN CO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453198127 683155139 /nfs/dbraw/zinc/15/51/39/683155139.db2.gz VDRDSEBVDUQNMT-GJZGRUSLSA-N 0 3 354.428 1.916 20 5 FDBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000457848401 683793849 /nfs/dbraw/zinc/79/38/49/683793849.db2.gz JPWYQTLBRIAOFF-BBRMVZONSA-N 0 3 350.419 1.802 20 5 FDBDHN COc1ccc(NC(=O)CNC2(CO)CCSCC2)c([N+](=O)[O-])c1 ZINC000459713345 684449001 /nfs/dbraw/zinc/44/90/01/684449001.db2.gz ONVJOSQEFDYMSJ-UHFFFAOYSA-N 0 3 355.416 1.390 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127822 685010141 /nfs/dbraw/zinc/01/01/41/685010141.db2.gz FSCAEAPFPAPPSC-LBPRGKRZSA-N 0 3 353.398 1.881 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000476375945 685715152 /nfs/dbraw/zinc/71/51/52/685715152.db2.gz NZURNXUWRDZOBT-UHFFFAOYSA-N 0 3 367.475 1.810 20 5 FDBDHN CN(CCN1CCCC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000487498207 686985801 /nfs/dbraw/zinc/98/58/01/686985801.db2.gz DWYZGTDAZMPGAC-UHFFFAOYSA-N 0 3 366.443 1.340 20 5 FDBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000493442288 687426129 /nfs/dbraw/zinc/42/61/29/687426129.db2.gz KSHJALMPPNPCTN-ZBFHGGJFSA-N 0 3 351.359 1.403 20 5 FDBDHN COc1ccc(NC(=O)CN2CCNC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261658469 774316281 /nfs/dbraw/zinc/31/62/81/774316281.db2.gz GSQIMKPHEBUVTH-QGZVFWFLSA-N 0 3 371.397 1.583 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891829238 779627631 /nfs/dbraw/zinc/62/76/31/779627631.db2.gz IKIUFNNCUMBSOS-AWEZNQCLSA-N 0 3 373.457 1.885 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000277180533 781002860 /nfs/dbraw/zinc/00/28/60/781002860.db2.gz CFCIHQNFODBEJJ-UHFFFAOYSA-N 0 3 360.370 1.579 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377098507 791063793 /nfs/dbraw/zinc/06/37/93/791063793.db2.gz IMIAJYXVZHPXPC-CJNGLKHVSA-N 0 3 357.414 1.879 20 5 FDBDHN CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411405340 785255999 /nfs/dbraw/zinc/25/59/99/785255999.db2.gz YSIVLXBFRQKTLJ-ZWKOTPCHSA-N 0 3 360.458 1.842 20 5 FDBDHN C[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000893046709 792648161 /nfs/dbraw/zinc/64/81/61/792648161.db2.gz HFXUPSBULYDGJI-SUMWQHHRSA-N 0 3 363.418 1.965 20 5 FDBDHN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000500413362 796096528 /nfs/dbraw/zinc/09/65/28/796096528.db2.gz GVYJLYNSDRBXDP-UKRRQHHQSA-N 0 3 361.446 1.275 20 5 FDBDHN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CCN(C)CC1 ZINC000279057443 808220180 /nfs/dbraw/zinc/22/01/80/808220180.db2.gz MUVKKUHDPMZAPS-LLVKDONJSA-N 0 3 358.402 1.921 20 5 FDBDHN COc1ncccc1CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764791 808450365 /nfs/dbraw/zinc/45/03/65/808450365.db2.gz DGNPAYJCGJWZEQ-HUUCEWRRSA-N 0 3 360.414 1.180 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000279188546 808579289 /nfs/dbraw/zinc/57/92/89/808579289.db2.gz JRAASTLSXHCAIX-CQSZACIVSA-N 0 3 362.430 1.718 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418785558 809206184 /nfs/dbraw/zinc/20/61/84/809206184.db2.gz RCLHMRQDGATSRN-MJVIPROJSA-N 0 3 364.402 1.001 20 5 FDBDHN C[C@@H]1CN(CCCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCO1 ZINC000432848214 809592131 /nfs/dbraw/zinc/59/21/31/809592131.db2.gz SLOMTUZNGAYPLH-CYBMUJFWSA-N 0 3 361.402 2.558 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397592844 810666186 /nfs/dbraw/zinc/66/61/86/810666186.db2.gz NQFBDNUFODKJAV-UHFFFAOYSA-N 0 3 372.425 1.690 20 5 FDBDHN COC1([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421026093 813912993 /nfs/dbraw/zinc/91/29/93/813912993.db2.gz FAYUEZUUVPRANP-CYBMUJFWSA-N 0 3 363.414 1.658 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503973 816393808 /nfs/dbraw/zinc/39/38/08/816393808.db2.gz ULEZGGITJZCXQS-ZDUSSCGKSA-N 0 3 374.401 1.861 20 5 FDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729507660 820078995 /nfs/dbraw/zinc/07/89/95/820078995.db2.gz ZHOMVNDALGFKSC-UONOGXRCSA-N 0 3 363.418 1.169 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000896611818 824705918 /nfs/dbraw/zinc/70/59/18/824705918.db2.gz DGRVWBYUULENCW-XOKHGSTOSA-N 0 3 362.430 1.896 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000280933335 825824181 /nfs/dbraw/zinc/82/41/81/825824181.db2.gz HPJBQEFDYPRQNT-CYBMUJFWSA-N 0 3 365.434 1.462 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448910943 829304973 /nfs/dbraw/zinc/30/49/73/829304973.db2.gz PHEBFVPMZMAJAH-HNNXBMFYSA-N 0 3 373.413 1.826 20 5 FDBDHN Cn1ccnc1[C@@H](NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000449384616 829476393 /nfs/dbraw/zinc/47/63/93/829476393.db2.gz CELNZGNCJPLERD-MSOLQXFVSA-N 0 3 373.457 1.854 20 5 FDBDHN CN1CC[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784927 830112563 /nfs/dbraw/zinc/11/25/63/830112563.db2.gz DOCLBQXQHQFKSK-PBHICJAKSA-N 0 3 360.414 1.208 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451915768 830468685 /nfs/dbraw/zinc/46/86/85/830468685.db2.gz IXXQPLRIQIVJCC-HNNXBMFYSA-N 0 3 362.430 1.390 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000452372690 830636036 /nfs/dbraw/zinc/63/60/36/830636036.db2.gz VCBKGCRJKDKRSW-CQSZACIVSA-N 0 3 373.413 1.357 20 5 FDBDHN CN(Cc1nnc(C2CC2)[nH]1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964791 831938508 /nfs/dbraw/zinc/93/85/08/831938508.db2.gz ZUGIASVMAYNZLR-ZIAGYGMSSA-N 0 3 362.434 1.018 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C ZINC000454773758 835675964 /nfs/dbraw/zinc/67/59/64/835675964.db2.gz DPOPJIDLIPXLGB-ZIAGYGMSSA-N 0 3 362.434 1.304 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455357981 836018909 /nfs/dbraw/zinc/01/89/09/836018909.db2.gz LCSPOZXKVZGMKZ-AWEZNQCLSA-N 0 3 366.418 1.962 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3OC)CC2)n1 ZINC000478496798 843788151 /nfs/dbraw/zinc/78/81/51/843788151.db2.gz YIYNHSHRHNRWAP-UHFFFAOYSA-N 0 3 360.374 1.177 20 5 FDBDHN Cc1c(Br)cc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912607902 859950178 /nfs/dbraw/zinc/95/01/78/859950178.db2.gz NCXDUNPDZJWQHM-UHFFFAOYSA-N 0 3 374.235 1.662 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000490305246 861113141 /nfs/dbraw/zinc/11/31/41/861113141.db2.gz CIRCLBWNEULVFA-GOEBONIOSA-N 0 3 372.429 1.926 20 5 FDBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H](N2CC=CC2)C1 ZINC000172933409 865844517 /nfs/dbraw/zinc/84/45/17/865844517.db2.gz GFPBGMJMYFPSAZ-QGZVFWFLSA-N 0 3 367.409 1.722 20 5 FDBDHN Cc1c(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000922168260 873343202 /nfs/dbraw/zinc/34/32/02/873343202.db2.gz NGEAHGFCKAJCLZ-INIZCTEOSA-N 0 3 362.430 1.956 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762874599 876864354 /nfs/dbraw/zinc/86/43/54/876864354.db2.gz VICMERWPZFTAHB-CYBMUJFWSA-N 0 3 373.207 1.545 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000888279467 876875023 /nfs/dbraw/zinc/87/50/23/876875023.db2.gz FQCXVMLIOMNIOM-WDEREUQCSA-N 0 3 354.794 1.839 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](C[C@@H]3COCCN3)c3ccccc32)n1 ZINC000923545257 889707848 /nfs/dbraw/zinc/70/78/48/889707848.db2.gz RRSYNPCYJMUMHA-LSDHHAIUSA-N 0 3 357.414 1.774 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064529309 901359764 /nfs/dbraw/zinc/35/97/64/901359764.db2.gz LOMBINDVMFDVNT-VXGBXAGGSA-N 0 3 363.418 1.275 20 5 FDBDHN C/C=C(\C)C(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079159397 902082151 /nfs/dbraw/zinc/08/21/51/902082151.db2.gz ALOQIJDFPWRAJL-GMYUPJATSA-N 0 3 366.462 1.049 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000733162611 920710008 /nfs/dbraw/zinc/71/00/08/920710008.db2.gz PQHINTNHBPLGBJ-AWEZNQCLSA-N 0 3 374.445 1.087 20 5 FDBDHN O=C(NC[C@H]1C[C@H](NCc2ncc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363836 926847670 /nfs/dbraw/zinc/84/76/70/926847670.db2.gz KSNFTLWZTUCTMU-DTZQCDIJSA-N 0 3 370.409 1.991 20 5 FDBDHN CN1CCC2(CC1)NC(=O)N(CN1CCCc3c([N+](=O)[O-])cccc31)C2=O ZINC000766356845 927960692 /nfs/dbraw/zinc/96/06/92/927960692.db2.gz DFYNUELLVSXXEM-UHFFFAOYSA-N 0 3 373.413 1.321 20 5 FDBDHN Cn1nc(CN(c2ncccn2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025853 928250789 /nfs/dbraw/zinc/25/07/89/928250789.db2.gz ZJIRBGAJJMVVFP-UONOGXRCSA-N 0 3 371.445 1.308 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804431738 938433179 /nfs/dbraw/zinc/43/31/79/938433179.db2.gz WYKVAFCMXGYTCK-UHFFFAOYSA-N 0 3 365.390 1.493 20 5 FDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000804585411 938482911 /nfs/dbraw/zinc/48/29/11/938482911.db2.gz LLKPDDUMYPOHGU-KGLIPLIRSA-N 0 3 363.418 1.965 20 5 FDBDHN CCOC(=O)C1=C(Nc2cc3c(c([N+](=O)[O-])c2)N(C(C)=O)CC3)CCNC1 ZINC001170521594 940307908 /nfs/dbraw/zinc/30/79/08/940307908.db2.gz YDLKDNLRSMFZAW-UHFFFAOYSA-N 0 3 374.397 1.726 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000808173861 940528248 /nfs/dbraw/zinc/52/82/48/940528248.db2.gz BSOAJBOXOCZQRI-QMMMGPOBSA-N 0 3 364.171 1.149 20 5 FDBDHN CC(COC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[N+](=O)[O-] ZINC000813102638 941325842 /nfs/dbraw/zinc/32/58/42/941325842.db2.gz HURUTMLKFUXZRW-ZETCQYMHSA-N 0 3 371.143 1.254 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000813109992 941334307 /nfs/dbraw/zinc/33/43/07/941334307.db2.gz YFXJOGXHCXNDIX-SNVBAGLBSA-N 0 3 374.415 1.594 20 5 FDBDHN CCCN1C(=O)CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1c1cncn1C ZINC000813115575 941336697 /nfs/dbraw/zinc/33/66/97/941336697.db2.gz VULPHWHXJCSGRG-LALPHHSUSA-N 0 3 352.391 1.318 20 5 FDBDHN CS(=O)(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818958577 943364991 /nfs/dbraw/zinc/36/49/91/943364991.db2.gz RBFRJYLBLORSOQ-INIZCTEOSA-N 0 3 350.396 1.822 20 5 FDBDHN O=C1[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccn1 ZINC000819224167 943495069 /nfs/dbraw/zinc/49/50/69/943495069.db2.gz XVJIIUQIVJEMTP-ROUUACIJSA-N 0 3 370.409 1.804 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000819837564 943751304 /nfs/dbraw/zinc/75/13/04/943751304.db2.gz NZRJFNKDBQVBJV-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825394262 947218243 /nfs/dbraw/zinc/21/82/43/947218243.db2.gz WXJKLIVGFNBMDJ-KRWDZBQOSA-N 0 3 371.397 1.414 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856768123 971387972 /nfs/dbraw/zinc/38/79/72/971387972.db2.gz PWWGTBCTZQEDES-JTQLQIEISA-N 0 3 371.235 1.914 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1=O ZINC000845633459 949715468 /nfs/dbraw/zinc/71/54/68/949715468.db2.gz FIVYFKIFKCYTTO-UHFFFAOYSA-N 0 3 358.345 1.406 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000466767292 971760702 /nfs/dbraw/zinc/76/07/02/971760702.db2.gz LLNYIUWODHUABE-HOCLYGCPSA-N 0 3 373.457 1.909 20 5 FDBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847040489 951791312 /nfs/dbraw/zinc/79/13/12/951791312.db2.gz QMGGSAVZJDZZPO-KGYLQXTDSA-N 0 3 368.821 1.326 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccncc1)C1(CO)CCC1 ZINC001174890740 962972257 /nfs/dbraw/zinc/97/22/57/962972257.db2.gz KJBFZUJYWTVCJU-QGZVFWFLSA-N 0 3 358.398 1.645 20 5 FDBDHN Cc1noc(CN2CCC3(CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC000957547939 1013437730 /nfs/dbraw/zinc/43/77/30/1013437730.db2.gz VBHHPXIXBSJWOR-ZIAGYGMSSA-N 0 3 363.418 1.248 20 5 FDBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C(C)(C)C1 ZINC001178860366 964533502 /nfs/dbraw/zinc/53/35/02/964533502.db2.gz AKRNZCRVCYWFEH-CQSZACIVSA-N 0 3 359.390 1.031 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307306 967203853 /nfs/dbraw/zinc/20/38/53/967203853.db2.gz UELGCODMDWGILL-UHFFFAOYSA-N 0 3 368.434 1.992 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852434747 967301558 /nfs/dbraw/zinc/30/15/58/967301558.db2.gz GXFQIBHDOFLENM-CQSZACIVSA-N 0 3 362.386 1.758 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1Br ZINC000853832473 968355983 /nfs/dbraw/zinc/35/59/83/968355983.db2.gz HHXRKRFQRGEGPD-UHFFFAOYSA-N 0 3 373.251 1.814 20 5 FDBDHN Cc1cc(Cl)c(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000854278066 968733480 /nfs/dbraw/zinc/73/34/80/968733480.db2.gz NRAGGALMIHVWQH-UHFFFAOYSA-N 0 3 354.838 1.924 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794573599 973317021 /nfs/dbraw/zinc/31/70/21/973317021.db2.gz WBPJDODPBIZMRD-OAHLLOKOSA-N 0 3 356.382 1.996 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C)CC2)CC1 ZINC000866215494 975493403 /nfs/dbraw/zinc/49/34/03/975493403.db2.gz YSLNCOQFBCSCAY-UHFFFAOYSA-N 0 3 361.446 1.171 20 5 FDBDHN CN(C)CCN1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1=O ZINC000848488612 976827934 /nfs/dbraw/zinc/82/79/34/976827934.db2.gz CWXUTVOTWUXHLB-UHFFFAOYSA-N 0 3 372.429 1.122 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582494 976913440 /nfs/dbraw/zinc/91/34/40/976913440.db2.gz MSXPOBHQOWHJSH-TZMCWYRMSA-N 0 3 371.340 1.546 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849566830 977763619 /nfs/dbraw/zinc/76/36/19/977763619.db2.gz DOAHCVMEQKBHBF-MSOLQXFVSA-N 0 3 371.441 1.723 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859321139 982710620 /nfs/dbraw/zinc/71/06/20/982710620.db2.gz XDRMWGGGGZAFKU-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN COCCN1CCC[C@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000861032825 983593218 /nfs/dbraw/zinc/59/32/18/983593218.db2.gz BASBPRPAERLGMS-HNNXBMFYSA-N 0 3 362.386 1.599 20 5 FDBDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccnc1[N+](=O)[O-] ZINC000795057526 984918632 /nfs/dbraw/zinc/91/86/32/984918632.db2.gz YUEWVJDMAZMLBD-UHFFFAOYSA-N 0 3 369.403 1.132 20 5 FDBDHN CC(C)(O)CN1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000869775737 985319120 /nfs/dbraw/zinc/31/91/20/985319120.db2.gz TVIBSCJKLXPQLR-HNNXBMFYSA-N 0 3 361.442 1.978 20 5 FDBDHN Nc1c(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575901 987453436 /nfs/dbraw/zinc/45/34/36/987453436.db2.gz TWFRWJLHCXRDET-QWRGUYRKSA-N 0 3 369.809 1.815 20 5 FDBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CN1CCN(C)CC1 ZINC000299309613 988311270 /nfs/dbraw/zinc/31/12/70/988311270.db2.gz IWQDNUYSWHGZOH-HNNXBMFYSA-N 0 3 373.457 1.549 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825643478 988365171 /nfs/dbraw/zinc/36/51/71/988365171.db2.gz BXLLKLKPCLPQKE-NEPJUHHUSA-N 0 3 366.393 1.393 20 5 FDBDHN CCc1n[nH]c(C(=O)NC2CCN(CCc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000364153043 989503315 /nfs/dbraw/zinc/50/33/15/989503315.db2.gz BYZDLUYEBYBGPH-UHFFFAOYSA-N 0 3 372.429 1.712 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000370424812 989733659 /nfs/dbraw/zinc/73/36/59/989733659.db2.gz PTMDWIYQUQQGSQ-QGZVFWFLSA-N 0 3 360.458 1.764 20 5 FDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000372393306 991073927 /nfs/dbraw/zinc/07/39/27/991073927.db2.gz FSOQDAIZARCVQW-YOEHRIQHSA-N 0 3 370.413 1.963 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000373104261 991922687 /nfs/dbraw/zinc/92/26/87/991922687.db2.gz NCNFUWBJVHIETP-OLZOCXBDSA-N 0 3 374.401 1.134 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000876471721 992632233 /nfs/dbraw/zinc/63/22/33/992632233.db2.gz GXOFNJCCRBAVTB-MRXNPFEDSA-N 0 3 371.821 1.667 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000826029505 993780998 /nfs/dbraw/zinc/78/09/98/993780998.db2.gz GTMINQOVKKUEEC-UHFFFAOYSA-N 0 3 364.377 1.114 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470812886 994133088 /nfs/dbraw/zinc/13/30/88/994133088.db2.gz SBHVPBPQMVOAJZ-KBPBESRZSA-N 0 3 363.397 1.126 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000880132064 995663921 /nfs/dbraw/zinc/66/39/21/995663921.db2.gz NAUCIWRPEPIHRZ-OLZOCXBDSA-N 0 3 362.386 1.431 20 5 FDBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267443658 999337136 /nfs/dbraw/zinc/33/71/36/999337136.db2.gz POGYKUXRPSMWMM-HIFRSBDPSA-N 0 3 366.414 1.998 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1=O ZINC000270249272 999530800 /nfs/dbraw/zinc/53/08/00/999530800.db2.gz QEBFMUOLTWVCHP-UHFFFAOYSA-N 0 3 363.349 1.292 20 5 FDBDHN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[n-]2)[NH+]2CCCC2)c1 ZINC000284844097 999872146 /nfs/dbraw/zinc/87/21/46/999872146.db2.gz CHUJKMLKOHPEEG-OAHLLOKOSA-N 0 3 359.386 1.893 20 5 FDBDHN COCCCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291937456 1000200921 /nfs/dbraw/zinc/20/09/21/1000200921.db2.gz XMCKXCVTUYSIAE-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000932714398 1005118003 /nfs/dbraw/zinc/11/80/03/1005118003.db2.gz HADAGQTWLHJRDH-OLMNPRSZSA-N 0 3 360.458 1.698 20 5 FDBDHN COc1ccc(CONC(=N)[C@H]2CN(C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000779654622 1010664351 /nfs/dbraw/zinc/66/43/51/1010664351.db2.gz PITPLKCHAAMUDM-OAHLLOKOSA-N 0 3 352.391 1.711 20 5 FDBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000511732089 538963131 /nfs/dbraw/zinc/96/31/31/538963131.db2.gz WMGPRQAZCDFJMP-OAHLLOKOSA-N 0 3 372.429 1.603 20 5 FDBDHN CCNC(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000519647346 539495433 /nfs/dbraw/zinc/49/54/33/539495433.db2.gz JRKICQAEQFUTLT-QGZVFWFLSA-N 0 3 373.409 1.874 20 5 FDBDHN Cc1n[nH]c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000264750883 179188000 /nfs/dbraw/zinc/18/80/00/179188000.db2.gz MGOCUDISSIEOLK-UHFFFAOYSA-N 0 3 351.407 1.391 20 5 FDBDHN CCN1CCN(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264906438 179235675 /nfs/dbraw/zinc/23/56/75/179235675.db2.gz MPPIARUZVJERRX-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OCCO)C1 ZINC000265167803 179304061 /nfs/dbraw/zinc/30/40/61/179304061.db2.gz ANDOMEZPIKUQAH-AWEZNQCLSA-N 0 3 367.402 1.405 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000268157571 180011414 /nfs/dbraw/zinc/01/14/14/180011414.db2.gz HGZODDMAPKAAAG-BZNIZROVSA-N 0 3 370.413 1.696 20 5 FDBDHN COc1cc(CCNC(=O)[C@@H](C(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000268436540 180082004 /nfs/dbraw/zinc/08/20/04/180082004.db2.gz KKCPZWKTNGQYNP-MRXNPFEDSA-N 0 3 353.419 1.857 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269246641 180252761 /nfs/dbraw/zinc/25/27/61/180252761.db2.gz UZSMWYVGKHESBA-OCCSQVGLSA-N 0 3 361.398 1.922 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)ccn1 ZINC000274081145 181022039 /nfs/dbraw/zinc/02/20/39/181022039.db2.gz XEDIBQPDZCTLNC-UHFFFAOYSA-N 0 3 359.346 1.225 20 5 FDBDHN C[C@H](CN)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000274472739 181101642 /nfs/dbraw/zinc/10/16/42/181101642.db2.gz XYBWGWBRWGKJSS-GFCCVEGCSA-N 0 3 370.409 1.969 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000533202843 540215403 /nfs/dbraw/zinc/21/54/03/540215403.db2.gz PKCYXVNSGXQMSE-WFASDCNBSA-N 0 3 361.398 1.922 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000534216486 540335833 /nfs/dbraw/zinc/33/58/33/540335833.db2.gz PZRUOSKLZVAZKD-TUKIKUTGSA-N 0 3 352.460 1.899 20 5 FDBDHN Cc1c(C(=O)NCCNc2ccncc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000536014033 540538597 /nfs/dbraw/zinc/53/85/97/540538597.db2.gz ILGABHQDKKXVJN-UHFFFAOYSA-N 0 3 367.369 1.143 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000275467333 181324837 /nfs/dbraw/zinc/32/48/37/181324837.db2.gz CLQOAPHIFJWQCA-CQSZACIVSA-N 0 3 367.402 1.669 20 5 FDBDHN CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275503919 181336566 /nfs/dbraw/zinc/33/65/66/181336566.db2.gz SUTFGYWPQOANPU-LSDHHAIUSA-N 0 3 350.444 1.710 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCC1 ZINC000275535580 181344837 /nfs/dbraw/zinc/34/48/37/181344837.db2.gz YGVUOJVWORWBNX-UHFFFAOYSA-N 0 3 364.427 1.906 20 5 FDBDHN COCC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275655621 181378485 /nfs/dbraw/zinc/37/84/85/181378485.db2.gz URGBHYOPQQIFDC-UHFFFAOYSA-N 0 3 355.366 1.536 20 5 FDBDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000544454461 541770469 /nfs/dbraw/zinc/77/04/69/541770469.db2.gz DRUBRAAVHZSZLL-IAQYHMDHSA-N 0 3 364.402 1.182 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000278022806 181893909 /nfs/dbraw/zinc/89/39/09/181893909.db2.gz QGVPYEDPTNVHPE-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000282514022 182022308 /nfs/dbraw/zinc/02/23/08/182022308.db2.gz OWGXGMVJNJYWHX-OAHLLOKOSA-N 0 3 362.430 1.006 20 5 FDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282985709 182086582 /nfs/dbraw/zinc/08/65/82/182086582.db2.gz JWLAXBOCNKVKRF-VIFPVBQESA-N 0 3 366.355 1.157 20 5 FDBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283279970 182147390 /nfs/dbraw/zinc/14/73/90/182147390.db2.gz XEFBYBOQNRLJNQ-QWRGUYRKSA-N 0 3 353.375 1.719 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000286190543 183010680 /nfs/dbraw/zinc/01/06/80/183010680.db2.gz ATOFWCMNTKNVLP-GJZGRUSLSA-N 0 3 363.414 1.929 20 5 FDBDHN CNC(=O)CC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286618356 183110566 /nfs/dbraw/zinc/11/05/66/183110566.db2.gz XNKJBNRHQAJFGD-HUUCEWRRSA-N 0 3 365.430 1.715 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286801703 183149374 /nfs/dbraw/zinc/14/93/74/183149374.db2.gz WNAPRFUXQTYTQW-JTQLQIEISA-N 0 3 351.432 1.881 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286878536 183165424 /nfs/dbraw/zinc/16/54/24/183165424.db2.gz ZEHPBFMCDALZOP-JSGCOSHPSA-N 0 3 369.443 1.851 20 5 FDBDHN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295315314 184058174 /nfs/dbraw/zinc/05/81/74/184058174.db2.gz KQTSEFMTWZRDNV-AWEZNQCLSA-N 0 3 374.441 1.657 20 5 FDBDHN Cc1c(NC(=O)CCN2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172299934 258273347 /nfs/dbraw/zinc/27/33/47/258273347.db2.gz ZNYIEEYZWREQBT-AWEZNQCLSA-N 0 3 351.403 1.705 20 5 FDBDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075586337 172093084 /nfs/dbraw/zinc/09/30/84/172093084.db2.gz BKIDHIWJOVNEBN-QGZVFWFLSA-N 0 3 359.430 1.884 20 5 FDBDHN CNC(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093360483 172317581 /nfs/dbraw/zinc/31/75/81/172317581.db2.gz ALZMLWGKXQJCGZ-CQSZACIVSA-N 0 3 357.414 1.953 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000102647878 172352556 /nfs/dbraw/zinc/35/25/56/172352556.db2.gz NTAMVBWXBBUVBP-KBPBESRZSA-N 0 3 365.434 1.139 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104886721 172389948 /nfs/dbraw/zinc/38/99/48/172389948.db2.gz FKJGQZQUTYPNBP-UHFFFAOYSA-N 0 3 350.419 1.716 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131350837 173198699 /nfs/dbraw/zinc/19/86/99/173198699.db2.gz RBGHOCVHYSQGDP-ZIAGYGMSSA-N 0 3 355.416 1.002 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCN1c1cccnn1 ZINC000131800717 173214007 /nfs/dbraw/zinc/21/40/07/173214007.db2.gz WQTKQUZSRMBDRF-CQSZACIVSA-N 0 3 358.402 1.147 20 5 FDBDHN CC[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000134043192 173316876 /nfs/dbraw/zinc/31/68/76/173316876.db2.gz XSHUJZKXDAEJPB-NSHDSACASA-N 0 3 354.432 1.281 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000137020534 173367369 /nfs/dbraw/zinc/36/73/69/173367369.db2.gz YAJMWRBTCGYTRZ-SFHVURJKSA-N 0 3 360.414 1.697 20 5 FDBDHN O=C1CCCN1C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179569263 258353910 /nfs/dbraw/zinc/35/39/10/258353910.db2.gz ZNRVCTLBXPKCIR-DLBZAZTESA-N 0 3 373.413 1.106 20 5 FDBDHN CC[C@H](CO)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000174139303 258319613 /nfs/dbraw/zinc/31/96/13/258319613.db2.gz HQTXABZHEKCQPR-CQSZACIVSA-N 0 3 353.419 1.371 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178829849 258336827 /nfs/dbraw/zinc/33/68/27/258336827.db2.gz VTQUCDVMJRDWQI-HNNXBMFYSA-N 0 3 362.430 1.496 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000191590334 258391625 /nfs/dbraw/zinc/39/16/25/258391625.db2.gz RCIVKDSGLHYCNI-UHFFFAOYSA-N 0 3 362.434 1.481 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000553346648 543614623 /nfs/dbraw/zinc/61/46/23/543614623.db2.gz GFCRWPYYXOZFAE-HNNXBMFYSA-N 0 3 374.441 1.653 20 5 FDBDHN CCCN(CCN1CCCC1)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000553603670 543667328 /nfs/dbraw/zinc/66/73/28/543667328.db2.gz IRYKEBUPQUXBIU-UHFFFAOYSA-N 0 3 370.475 1.815 20 5 FDBDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000554373262 543793009 /nfs/dbraw/zinc/79/30/09/543793009.db2.gz FFDCNNZMLVZPIT-GXTWGEPZSA-N 0 3 356.448 1.516 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554631823 543841415 /nfs/dbraw/zinc/84/14/15/543841415.db2.gz FUPDRLQQKPLSDR-UHFFFAOYSA-N 0 3 353.329 1.812 20 5 FDBDHN CNc1nccc(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000557540729 544304946 /nfs/dbraw/zinc/30/49/46/544304946.db2.gz FUYNNWOJUFACSL-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN COc1ccc(CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000557624439 544320485 /nfs/dbraw/zinc/32/04/85/544320485.db2.gz RLLNGXNLIKIJMR-YDHLFZDLSA-N 0 3 353.419 1.163 20 5 FDBDHN COCCCN(C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000558612190 544481133 /nfs/dbraw/zinc/48/11/33/544481133.db2.gz MMNGEPLECLZJQA-UHFFFAOYSA-N 0 3 366.418 1.467 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCN(C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000299684906 259016511 /nfs/dbraw/zinc/01/65/11/259016511.db2.gz NIOKDPXSBQLILX-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301509184 259029034 /nfs/dbraw/zinc/02/90/34/259029034.db2.gz COHDVRCMHCBQLW-KBPBESRZSA-N 0 3 350.375 1.929 20 5 FDBDHN CCN1CCN([C@H](C)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301552827 259029843 /nfs/dbraw/zinc/02/98/43/259029843.db2.gz VVPLZNRNXCNOHA-GFCCVEGCSA-N 0 3 360.418 1.682 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301896055 259035155 /nfs/dbraw/zinc/03/51/55/259035155.db2.gz YUMPSZCTHBIKFP-UKRRQHHQSA-N 0 3 371.397 1.136 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000330493264 259147473 /nfs/dbraw/zinc/14/74/73/259147473.db2.gz MDQUVEDSJRJQOZ-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000331710751 259214548 /nfs/dbraw/zinc/21/45/48/259214548.db2.gz KPTCVEIKEZZTMN-HEHGZKQESA-N 0 3 360.414 1.266 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000332641962 259285006 /nfs/dbraw/zinc/28/50/06/259285006.db2.gz AWSJANUBOXPQNO-WDEREUQCSA-N 0 3 354.432 1.327 20 5 FDBDHN Cc1cc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000362316288 259490370 /nfs/dbraw/zinc/49/03/70/259490370.db2.gz FCNQCHAKFFEKCO-CQSZACIVSA-N 0 3 353.444 1.649 20 5 FDBDHN COCCCN1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000364055518 259708514 /nfs/dbraw/zinc/70/85/14/259708514.db2.gz MPVSIYVXPNYLOW-UHFFFAOYSA-N 0 3 367.450 1.369 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000367690563 260078540 /nfs/dbraw/zinc/07/85/40/260078540.db2.gz SHLHHKAFRPTKKC-HZPDHXFCSA-N 0 3 365.386 1.849 20 5 FDBDHN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000368602228 260208384 /nfs/dbraw/zinc/20/83/84/260208384.db2.gz NGJREFRLRJZJAX-CYBMUJFWSA-N 0 3 361.446 1.418 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000374478189 261139623 /nfs/dbraw/zinc/13/96/23/261139623.db2.gz IZTGYJPJWVVYEE-LBPRGKRZSA-N 0 3 364.377 1.678 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375338614 261317517 /nfs/dbraw/zinc/31/75/17/261317517.db2.gz SBZHIJGLPBDPRT-BLLLJJGKSA-N 0 3 366.805 1.834 20 5 FDBDHN COC(=O)[C@]12CN(Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000375674208 261396330 /nfs/dbraw/zinc/39/63/30/261396330.db2.gz AGVNJYQNXYUWHB-SUMWQHHRSA-N 0 3 350.371 1.615 20 5 FDBDHN CN(C)Cc1ccccc1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006992657 518398292 /nfs/dbraw/zinc/39/82/92/518398292.db2.gz OGALVEYAALIJNF-UHFFFAOYSA-N 0 3 370.409 1.703 20 5 FDBDHN CNC(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000028920168 519256633 /nfs/dbraw/zinc/25/66/33/519256633.db2.gz GVVZKRYXVGUPHM-MRXNPFEDSA-N 0 3 359.382 1.484 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000069526942 521901944 /nfs/dbraw/zinc/90/19/44/521901944.db2.gz MBMCTXABRMSKBI-CQSZACIVSA-N 0 3 350.419 1.624 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764084 522830232 /nfs/dbraw/zinc/83/02/32/522830232.db2.gz YUSBDACBCMPTOH-MRXNPFEDSA-N 0 3 364.446 1.529 20 5 FDBDHN COc1ccc(CC(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000067901506 523626318 /nfs/dbraw/zinc/62/63/18/523626318.db2.gz RCLRKVOCXUBLRU-UHFFFAOYSA-N 0 3 356.382 1.890 20 5 FDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000080272953 523862505 /nfs/dbraw/zinc/86/25/05/523862505.db2.gz DHISRWBNYHSZFY-UHFFFAOYSA-N 0 3 355.354 1.277 20 5 FDBDHN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@H]1CN ZINC000156969698 524185219 /nfs/dbraw/zinc/18/52/19/524185219.db2.gz RUXVGQJDETXTAQ-IINYFYTJSA-N 0 3 355.416 1.198 20 5 FDBDHN CN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000111546009 524296971 /nfs/dbraw/zinc/29/69/71/524296971.db2.gz IUDPSABOYJXXNQ-GFCCVEGCSA-N 0 3 366.443 1.471 20 5 FDBDHN CCCCCNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173523303 524404515 /nfs/dbraw/zinc/40/45/15/524404515.db2.gz ICTOLDCSEWMWAY-INIZCTEOSA-N 0 3 367.450 1.171 20 5 FDBDHN COc1ccccc1[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCC1 ZINC000158939133 524556943 /nfs/dbraw/zinc/55/69/43/524556943.db2.gz AGTIKNXWHXAVSA-CYBMUJFWSA-N 0 3 359.386 1.893 20 5 FDBDHN COC(=O)[C@@H](C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090559320 524603939 /nfs/dbraw/zinc/60/39/39/524603939.db2.gz RNTMSHMCBSLKHS-GUYCJALGSA-N 0 3 359.382 1.897 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151605616 524626466 /nfs/dbraw/zinc/62/64/66/524626466.db2.gz FEDTWBPSIREPSO-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151647122 524641814 /nfs/dbraw/zinc/64/18/14/524641814.db2.gz JBKVSDAVBJFWHT-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc(OCCN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174663232 524679187 /nfs/dbraw/zinc/67/91/87/524679187.db2.gz LLTHWSNWFJNKKY-AWEZNQCLSA-N 0 3 350.375 1.172 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000174685291 524689960 /nfs/dbraw/zinc/68/99/60/524689960.db2.gz XZSYFABKXTWDDR-CJNGLKHVSA-N 0 3 370.413 1.793 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721554 524707581 /nfs/dbraw/zinc/70/75/81/524707581.db2.gz HDDTZPORWKHTFY-YVEFUNNKSA-N 0 3 373.413 1.852 20 5 FDBDHN CCOCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174819936 524748688 /nfs/dbraw/zinc/74/86/88/524748688.db2.gz DHVMFHQBXHJSDB-UHFFFAOYSA-N 0 3 353.423 1.046 20 5 FDBDHN CCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000114352396 524772572 /nfs/dbraw/zinc/77/25/72/524772572.db2.gz VBSLNKGOISAKDG-UHFFFAOYSA-N 0 3 351.403 1.927 20 5 FDBDHN CC(=O)c1ccc(NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000114450789 524803222 /nfs/dbraw/zinc/80/32/22/524803222.db2.gz NIOCFOBLBITNDT-UHFFFAOYSA-N 0 3 364.446 1.599 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCN1CCCCCC1 ZINC000160527922 524908189 /nfs/dbraw/zinc/90/81/89/524908189.db2.gz XUYUPMAARAGMKS-UHFFFAOYSA-N 0 3 355.460 1.933 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000126502477 525319704 /nfs/dbraw/zinc/31/97/04/525319704.db2.gz DUGZEAVHQPMTAM-INIZCTEOSA-N 0 3 359.430 1.779 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000164837036 525530521 /nfs/dbraw/zinc/53/05/21/525530521.db2.gz YNNXAEYGJYKUJQ-HZPDHXFCSA-N 0 3 367.471 1.883 20 5 FDBDHN CC1CCN(C[C@@H](O)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000154535442 525565021 /nfs/dbraw/zinc/56/50/21/525565021.db2.gz NIYUVMPLXGBMIZ-INIZCTEOSA-N 0 3 371.459 1.107 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119734788 525842356 /nfs/dbraw/zinc/84/23/56/525842356.db2.gz OLAQWXINAMUEHK-MRXNPFEDSA-N 0 3 350.419 1.547 20 5 FDBDHN CN(C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000131413885 525855698 /nfs/dbraw/zinc/85/56/98/525855698.db2.gz DGCPRWLAEAJHDZ-OAHLLOKOSA-N 0 3 360.418 1.263 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000107402559 525886464 /nfs/dbraw/zinc/88/64/64/525886464.db2.gz RSIAYUADVSBRIW-UHFFFAOYSA-N 0 3 371.397 1.519 20 5 FDBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000181732002 525909448 /nfs/dbraw/zinc/90/94/48/525909448.db2.gz ZWCQQQYATARVLC-ZDUSSCGKSA-N 0 3 353.404 1.180 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182053885 526036017 /nfs/dbraw/zinc/03/60/17/526036017.db2.gz UHMWUOQTTYKVCD-LRDDRELGSA-N 0 3 357.374 1.084 20 5 FDBDHN Cc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000120878259 526208655 /nfs/dbraw/zinc/20/86/55/526208655.db2.gz ZCIQEPGPKDERNA-HNNXBMFYSA-N 0 3 360.414 1.458 20 5 FDBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000183008477 535903687 /nfs/dbraw/zinc/90/36/87/535903687.db2.gz OHJWMOVENIQKMA-AWEZNQCLSA-N 0 3 353.404 1.180 20 5 FDBDHN COC[C@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000183474144 535987378 /nfs/dbraw/zinc/98/73/78/535987378.db2.gz DKPIHFYDYGMPGK-KRWDZBQOSA-N 0 3 362.430 1.258 20 5 FDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183974736 536074592 /nfs/dbraw/zinc/07/45/92/536074592.db2.gz CTQYQXQESRTLGW-UHFFFAOYSA-N 0 3 359.386 1.482 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000184063220 536088060 /nfs/dbraw/zinc/08/80/60/536088060.db2.gz VHWVPRFRBZZYNC-LLVKDONJSA-N 0 3 353.398 1.072 20 5 FDBDHN CCOc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184390434 536144273 /nfs/dbraw/zinc/14/42/73/536144273.db2.gz JKTDBEPHGVNDDE-CQSZACIVSA-N 0 3 364.446 1.749 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000184653027 536173893 /nfs/dbraw/zinc/17/38/93/536173893.db2.gz IITLQNSRXXNSKL-QGZVFWFLSA-N 0 3 362.474 1.917 20 5 FDBDHN CCc1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000185812719 536218245 /nfs/dbraw/zinc/21/82/45/536218245.db2.gz PBOKXAFBNPTOTP-VXGBXAGGSA-N 0 3 353.423 1.500 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000186716244 536242309 /nfs/dbraw/zinc/24/23/09/536242309.db2.gz QNAMUALVRUXAGV-OAHLLOKOSA-N 0 3 371.397 1.069 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000186732749 536242601 /nfs/dbraw/zinc/24/26/01/536242601.db2.gz ZPWKQDRGYXESTE-GFCCVEGCSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)cc1SC ZINC000266783824 536930748 /nfs/dbraw/zinc/93/07/48/536930748.db2.gz UBMIUHZTZHHCKE-UHFFFAOYSA-N 0 3 369.443 1.512 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246445828 536956345 /nfs/dbraw/zinc/95/63/45/536956345.db2.gz DXEQUCMNHIRLHP-NWANDNLSSA-N 0 3 366.443 1.802 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000246581086 536985370 /nfs/dbraw/zinc/98/53/70/536985370.db2.gz ICDZTCGHASUVGW-GXTWGEPZSA-N 0 3 374.397 1.445 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000246669526 537000074 /nfs/dbraw/zinc/00/00/74/537000074.db2.gz GHQTYJWNFKKCQI-DOTOQJQBSA-N 0 3 374.441 1.544 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247343998 537111228 /nfs/dbraw/zinc/11/12/28/537111228.db2.gz HSVFZFCJVKQQDL-HOCLYGCPSA-N 0 3 353.444 1.841 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CN(S(=O)(=O)CC)C1 ZINC000190284464 537161029 /nfs/dbraw/zinc/16/10/29/537161029.db2.gz ISQOELKDJIEIGG-UHFFFAOYSA-N 0 3 357.432 1.365 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248568757 537192652 /nfs/dbraw/zinc/19/26/52/537192652.db2.gz KPONVHCGWSURIU-HOCLYGCPSA-N 0 3 360.414 1.267 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000282208654 537261345 /nfs/dbraw/zinc/26/13/45/537261345.db2.gz DFMCCATVKKKNRO-ZUZCIYMTSA-N 0 3 350.375 1.046 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870295 537348387 /nfs/dbraw/zinc/34/83/87/537348387.db2.gz UXORWUFHHFVWAV-OSAQELSMSA-N 0 3 363.418 1.191 20 5 FDBDHN C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272947641 537365817 /nfs/dbraw/zinc/36/58/17/537365817.db2.gz MMMXHLWTVSJDCK-LBPRGKRZSA-N 0 3 356.386 1.556 20 5 FDBDHN CC(C)S(=O)(=O)CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290543276 537367954 /nfs/dbraw/zinc/36/79/54/537367954.db2.gz ZZIQBPVRDQHDBR-GFCCVEGCSA-N 0 3 357.432 1.725 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293425331 537452054 /nfs/dbraw/zinc/45/20/54/537452054.db2.gz NJECWRZQQZZYQD-BETUJISGSA-N 0 3 350.419 1.956 20 5 FDBDHN CN(C)CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)c1 ZINC000350059691 537467810 /nfs/dbraw/zinc/46/78/10/537467810.db2.gz HKRSOLOFGVLHJF-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN Cn1cc(CN2CC[C@H]3C(=O)NC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000365654998 537564169 /nfs/dbraw/zinc/56/41/69/537564169.db2.gz SXBDONUFHXQHBC-XJKSGUPXSA-N 0 3 355.398 1.563 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000363486328 537607033 /nfs/dbraw/zinc/60/70/33/537607033.db2.gz UOCNABZNBGHCEI-UHFFFAOYSA-N 0 3 365.390 1.213 20 5 FDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292663522 537753134 /nfs/dbraw/zinc/75/31/34/537753134.db2.gz AMSJKNZUWJTMBX-INIZCTEOSA-N 0 3 353.444 1.842 20 5 FDBDHN O=C1[C@H](N[C@H]2CCC(=O)N[C@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367055289 537927097 /nfs/dbraw/zinc/92/70/97/537927097.db2.gz OYWUNPORIXYBMA-UXLLHSPISA-N 0 3 358.398 1.347 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994965 537928882 /nfs/dbraw/zinc/92/88/82/537928882.db2.gz OPBGYMREGZDIHW-DOMZBBRYSA-N 0 3 367.402 1.309 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@@H]21 ZINC000372978410 538073543 /nfs/dbraw/zinc/07/35/43/538073543.db2.gz LOEJGWCVZOQSOC-PBHICJAKSA-N 0 3 374.441 1.598 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369950986 538080967 /nfs/dbraw/zinc/08/09/67/538080967.db2.gz HAGZFZBZRVTTFL-SJLPKXTDSA-N 0 3 359.430 1.359 20 5 FDBDHN C[C@@H]1CN(CCCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000439151272 538156760 /nfs/dbraw/zinc/15/67/60/538156760.db2.gz DXFVNJMPCFPQHU-CHWSQXEVSA-N 0 3 350.419 1.995 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419968061 538165895 /nfs/dbraw/zinc/16/58/95/538165895.db2.gz PFNOWDAORDQXSW-HNNXBMFYSA-N 0 3 362.430 1.577 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000433804299 538274121 /nfs/dbraw/zinc/27/41/21/538274121.db2.gz HMJGFAWBZYZOKN-AWEZNQCLSA-N 0 3 363.418 1.170 20 5 FDBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000446174811 538280973 /nfs/dbraw/zinc/28/09/73/538280973.db2.gz KAPUHZPBEDJTDK-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000420471807 538303219 /nfs/dbraw/zinc/30/32/19/538303219.db2.gz QQFJEKPMDMOXDR-GOEBONIOSA-N 0 3 365.386 1.849 20 5 FDBDHN Cc1nn(C)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425014156 538368506 /nfs/dbraw/zinc/36/85/06/538368506.db2.gz SMJYDUUZWISZLV-JKSUJKDBSA-N 0 3 369.425 1.983 20 5 FDBDHN C[C@@H]1C[C@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420973096 538369313 /nfs/dbraw/zinc/36/93/13/538369313.db2.gz LWKYHIAOFMEZNX-ZIAGYGMSSA-N 0 3 371.459 1.620 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCNC(=O)N(C)C ZINC000560653917 545569187 /nfs/dbraw/zinc/56/91/87/545569187.db2.gz KYVAWASFSFTBFM-UHFFFAOYSA-N 0 3 351.407 1.435 20 5 FDBDHN NC(=O)c1ccnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000562240163 546065710 /nfs/dbraw/zinc/06/57/10/546065710.db2.gz PBCIJSSZRSPOQY-SFHVURJKSA-N 0 3 371.397 1.138 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562630137 546202418 /nfs/dbraw/zinc/20/24/18/546202418.db2.gz AVJAXDAFKKUFEA-MRXNPFEDSA-N 0 3 355.398 1.208 20 5 FDBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000565593946 547410114 /nfs/dbraw/zinc/41/01/14/547410114.db2.gz NDUUDMRGAQXPTJ-INIZCTEOSA-N 0 3 359.382 1.354 20 5 FDBDHN NC[C@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000565764123 547471206 /nfs/dbraw/zinc/47/12/06/547471206.db2.gz QMIQLJAMZGTPFR-HNNXBMFYSA-N 0 3 360.414 1.113 20 5 FDBDHN COc1ccc(OC(F)F)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000566733297 547866712 /nfs/dbraw/zinc/86/67/12/547866712.db2.gz PHXYHPYZKSXGPQ-LBPRGKRZSA-N 0 3 372.328 1.552 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000568896803 548725237 /nfs/dbraw/zinc/72/52/37/548725237.db2.gz QBFIMDRJIFFLRX-UONOGXRCSA-N 0 3 366.466 1.818 20 5 FDBDHN C[C@@H]1C[C@H]1N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000569303451 548866075 /nfs/dbraw/zinc/86/60/75/548866075.db2.gz LICZBZAIOGCDCH-LALPHHSUSA-N 0 3 368.459 1.409 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000570695671 549379699 /nfs/dbraw/zinc/37/96/99/549379699.db2.gz ANDBCYSJZWIZBA-SFHVURJKSA-N 0 3 371.397 1.171 20 5 FDBDHN Cc1ccc(OC(F)F)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000570955639 549475091 /nfs/dbraw/zinc/47/50/91/549475091.db2.gz FJLVKUYLICLOQV-ZDUSSCGKSA-N 0 3 356.329 1.852 20 5 FDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571046891 549506358 /nfs/dbraw/zinc/50/63/58/549506358.db2.gz NPXRZHVBYDOXON-PSASIEDQSA-N 0 3 367.349 1.890 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000571158485 549546353 /nfs/dbraw/zinc/54/63/53/549546353.db2.gz KCXURAURLOKVTQ-CJNGLKHVSA-N 0 3 370.427 1.296 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572986378 550038356 /nfs/dbraw/zinc/03/83/56/550038356.db2.gz GTPZENADKLTEBM-AAEUAGOBSA-N 0 3 364.427 1.091 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000577890406 550706276 /nfs/dbraw/zinc/70/62/76/550706276.db2.gz GEAYYUBBOQTBBO-AWEZNQCLSA-N 0 3 353.444 1.841 20 5 FDBDHN CNc1nccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000578336506 550753530 /nfs/dbraw/zinc/75/35/30/550753530.db2.gz IJVJILDJVXAQPG-CYBMUJFWSA-N 0 3 357.414 2.282 20 5 FDBDHN C[C@@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000579001253 550824806 /nfs/dbraw/zinc/82/48/06/550824806.db2.gz HDQNJAXMSMIOBI-MNOVXSKESA-N 0 3 354.382 1.020 20 5 FDBDHN CSc1ccc(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000581484130 551093615 /nfs/dbraw/zinc/09/36/15/551093615.db2.gz UYCRWHUBCYFAIX-ZDUSSCGKSA-N 0 3 352.416 1.543 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCNC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000581489619 551094722 /nfs/dbraw/zinc/09/47/22/551094722.db2.gz YGKQRMQBMRZYJQ-ZDUSSCGKSA-N 0 3 358.345 1.471 20 5 FDBDHN Cc1c(CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000582721127 551259116 /nfs/dbraw/zinc/25/91/16/551259116.db2.gz VAUXEJUCCBTHIO-CQSZACIVSA-N 0 3 369.377 1.650 20 5 FDBDHN CN1CCC[C@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000582827970 551270717 /nfs/dbraw/zinc/27/07/17/551270717.db2.gz FDZQGLVQJNBAJD-GFCCVEGCSA-N 0 3 374.397 1.320 20 5 FDBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O ZINC000583694137 551388817 /nfs/dbraw/zinc/38/88/17/551388817.db2.gz XFRBAQNGZDKRLW-CVEARBPZSA-N 0 3 356.444 1.899 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860557 551694081 /nfs/dbraw/zinc/69/40/81/551694081.db2.gz HPKVSJXAXXWQAY-STQMWFEESA-N 0 3 356.382 1.424 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589614915 551738473 /nfs/dbraw/zinc/73/84/73/551738473.db2.gz WMELUVYQZHQEOS-WBMJQRKESA-N 0 3 360.414 1.982 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCN([C@H]2CCOC2)CC1 ZINC000589841388 551747718 /nfs/dbraw/zinc/74/77/18/551747718.db2.gz WNMOHKNTIFCYFI-LBPRGKRZSA-N 0 3 369.368 1.785 20 5 FDBDHN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000590369295 551776707 /nfs/dbraw/zinc/77/67/07/551776707.db2.gz AUXOOZIWNZVWCV-UKRRQHHQSA-N 0 3 364.446 1.483 20 5 FDBDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590541066 551790162 /nfs/dbraw/zinc/79/01/62/551790162.db2.gz AGVBAEZRYZLRST-ZDUSSCGKSA-N 0 3 367.450 1.651 20 5 FDBDHN CN(CC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000590565338 551793118 /nfs/dbraw/zinc/79/31/18/551793118.db2.gz KXTHBOLOHSMDRG-RDJZCZTQSA-N 0 3 362.430 1.353 20 5 FDBDHN C[S@](=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591749923 551905812 /nfs/dbraw/zinc/90/58/12/551905812.db2.gz OZGAFMGQNZASDQ-SXBQZSJRSA-N 0 3 364.423 1.862 20 5 FDBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592199244 551957807 /nfs/dbraw/zinc/95/78/07/551957807.db2.gz SWPJPAYPMZYLMX-OLZOCXBDSA-N 0 3 365.386 1.088 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CCNC2 ZINC000592470813 551998806 /nfs/dbraw/zinc/99/88/06/551998806.db2.gz JAIBWWDAIGITJR-LBPRGKRZSA-N 0 3 368.393 1.998 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000592540646 552006511 /nfs/dbraw/zinc/00/65/11/552006511.db2.gz CPQOOLKTZYDTTR-ZDUSSCGKSA-N 0 3 373.417 1.507 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCO2 ZINC000592900151 552040864 /nfs/dbraw/zinc/04/08/64/552040864.db2.gz YHYCONULCSSMJH-UHFFFAOYSA-N 0 3 352.366 1.253 20 5 FDBDHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000593486484 552116319 /nfs/dbraw/zinc/11/63/19/552116319.db2.gz ZFPMOVTTWWXUMA-UHFFFAOYSA-N 0 3 361.324 1.219 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593715879 552181244 /nfs/dbraw/zinc/18/12/44/552181244.db2.gz MUMOWYHMIUAFLA-HUUCEWRRSA-N 0 3 353.444 1.539 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000593720913 552182510 /nfs/dbraw/zinc/18/25/10/552182510.db2.gz MLCCJKNTMRSQOV-IRXDYDNUSA-N 0 3 369.425 1.924 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594326723 552288966 /nfs/dbraw/zinc/28/89/66/552288966.db2.gz QOOOQWGTNNVHRW-ZBFHGGJFSA-N 0 3 360.414 1.975 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393743 552302148 /nfs/dbraw/zinc/30/21/48/552302148.db2.gz OTQFUTDSDYNTGV-KGYLQXTDSA-N 0 3 369.805 1.293 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594419761 552307384 /nfs/dbraw/zinc/30/73/84/552307384.db2.gz RDYPNJPYMDRTQZ-RDJZCZTQSA-N 0 3 374.441 1.766 20 5 FDBDHN NC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450599 552313169 /nfs/dbraw/zinc/31/31/69/552313169.db2.gz GRWLXAITJXQGNY-MRVPVSSYSA-N 0 3 356.098 1.977 20 5 FDBDHN C[C@@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000594500372 552326598 /nfs/dbraw/zinc/32/65/98/552326598.db2.gz RUSCTKBCIPDPGV-NEPJUHHUSA-N 0 3 359.473 1.747 20 5 FDBDHN CN(C)CC1(NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594780915 552382398 /nfs/dbraw/zinc/38/23/98/552382398.db2.gz HPXFIGPTQMBFHN-UHFFFAOYSA-N 0 3 364.427 1.906 20 5 FDBDHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595498965 552573015 /nfs/dbraw/zinc/57/30/15/552573015.db2.gz ITQXMQNZDUQIKV-UHFFFAOYSA-N 0 3 353.375 1.327 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595631155 552595402 /nfs/dbraw/zinc/59/54/02/552595402.db2.gz GDVGLYRJLNENNL-GLQYFDAESA-N 0 3 351.403 1.349 20 5 FDBDHN COc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1OC ZINC000596054206 552650537 /nfs/dbraw/zinc/65/05/37/552650537.db2.gz KYIILIMFCTZVPI-ZDUSSCGKSA-N 0 3 361.402 2.304 20 5 FDBDHN CC(C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCCC1 ZINC000596070113 552652232 /nfs/dbraw/zinc/65/22/32/552652232.db2.gz NHXSYONFSSRZFU-AWEZNQCLSA-N 0 3 356.448 1.775 20 5 FDBDHN Nc1ccc(NCCCN2CCN(c3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000596098675 552655124 /nfs/dbraw/zinc/65/51/24/552655124.db2.gz UCCHPVIIQPJQIU-UHFFFAOYSA-N 0 3 357.418 1.591 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@@H]1CCCN1C ZINC000596277229 552670304 /nfs/dbraw/zinc/67/03/04/552670304.db2.gz DEYDLECPOVMHOC-AWEZNQCLSA-N 0 3 370.475 1.814 20 5 FDBDHN C[C@H](CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000596569228 552689911 /nfs/dbraw/zinc/68/99/11/552689911.db2.gz SGYQJLOJEIMGNA-GFCCVEGCSA-N 0 3 372.447 1.008 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC2(CNC2)C1 ZINC000596581079 552691409 /nfs/dbraw/zinc/69/14/09/552691409.db2.gz VPLGZWPYSWIMGO-SNVBAGLBSA-N 0 3 355.778 1.216 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597301300 552771848 /nfs/dbraw/zinc/77/18/48/552771848.db2.gz NZPSIQBILJRSPU-AWEZNQCLSA-N 0 3 362.430 1.508 20 5 FDBDHN CCOc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000597573844 552806549 /nfs/dbraw/zinc/80/65/49/552806549.db2.gz JPMBASFGKAUJCB-KRWDZBQOSA-N 0 3 351.403 1.522 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597584487 552808885 /nfs/dbraw/zinc/80/88/85/552808885.db2.gz GIIFLVWACCKWKG-INIZCTEOSA-N 0 3 355.366 1.271 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000597695468 552823236 /nfs/dbraw/zinc/82/32/36/552823236.db2.gz RFAPHZYRFKCPPB-GOSISDBHSA-N 0 3 374.485 1.869 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597989169 552853007 /nfs/dbraw/zinc/85/30/07/552853007.db2.gz CHFVLINUESAQIZ-KRWDZBQOSA-N 0 3 370.409 1.795 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598061368 552862262 /nfs/dbraw/zinc/86/22/62/552862262.db2.gz BHVPENYFWRGDEP-UHFFFAOYSA-N 0 3 372.429 1.605 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598609849 552915098 /nfs/dbraw/zinc/91/50/98/552915098.db2.gz YKUIIWZNOMKWOY-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000598854499 552937520 /nfs/dbraw/zinc/93/75/20/552937520.db2.gz NBJIVNJJCJSQKP-LBPRGKRZSA-N 0 3 362.386 1.492 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598898900 552941150 /nfs/dbraw/zinc/94/11/50/552941150.db2.gz VYGDQFLZHJLIQS-ZDUSSCGKSA-N 0 3 363.418 1.517 20 5 FDBDHN C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072121 552964898 /nfs/dbraw/zinc/96/48/98/552964898.db2.gz ZDKUIVAEOTUQOL-GXTWGEPZSA-N 0 3 353.386 1.962 20 5 FDBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599108442 552968884 /nfs/dbraw/zinc/96/88/84/552968884.db2.gz XYOOPYFNKCRAHX-UHFFFAOYSA-N 0 3 371.337 1.128 20 5 FDBDHN O=[N+]([O-])c1c(NC[C@H]2CCN2C2CCCC2)ncnc1N1CCOCC1 ZINC000599164785 552977619 /nfs/dbraw/zinc/97/76/19/552977619.db2.gz MOHXVKHTKXZNJC-CQSZACIVSA-N 0 3 362.434 1.650 20 5 FDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599627783 553107394 /nfs/dbraw/zinc/10/73/94/553107394.db2.gz ZDNOQXQITAWKKD-LLZONULXSA-N 0 3 351.359 1.664 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600746010 553310468 /nfs/dbraw/zinc/31/04/68/553310468.db2.gz JWPPHZQXMXINRH-JSGCOSHPSA-N 0 3 374.319 1.924 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)CC2)CCN1 ZINC000601172109 553355559 /nfs/dbraw/zinc/35/55/59/553355559.db2.gz VCRPDDVNPWZKCG-AWEZNQCLSA-N 0 3 369.425 1.934 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601196389 553358245 /nfs/dbraw/zinc/35/82/45/553358245.db2.gz JDGLWQSDHIAUHI-UHFFFAOYSA-N 0 3 361.442 1.980 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601335577 553378307 /nfs/dbraw/zinc/37/83/07/553378307.db2.gz VGAVKTVYGAEDSW-AWEZNQCLSA-N 0 3 364.377 1.113 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000602770233 553634573 /nfs/dbraw/zinc/63/45/73/553634573.db2.gz WYZJVUHYQINQMC-LZWOXQAQSA-N 0 3 351.451 1.673 20 5 FDBDHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000602800969 553641530 /nfs/dbraw/zinc/64/15/30/553641530.db2.gz JHPYGJUORKHOHV-FQEVSTJZSA-N 0 3 368.437 1.985 20 5 FDBDHN CCN1[C@H](C)CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000602872856 553655724 /nfs/dbraw/zinc/65/57/24/553655724.db2.gz AFMWXJJEPUQAKX-TXEJJXNPSA-N 0 3 364.402 1.677 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000603378500 553775343 /nfs/dbraw/zinc/77/53/43/553775343.db2.gz IFAALBIMKBPCCD-UHFFFAOYSA-N 0 3 353.444 1.842 20 5 FDBDHN COc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424524 553785100 /nfs/dbraw/zinc/78/51/00/553785100.db2.gz ZWUOCAZVZMCFFK-MRXNPFEDSA-N 0 3 364.446 1.812 20 5 FDBDHN CN(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)S(C)(=O)=O ZINC000604532506 553885270 /nfs/dbraw/zinc/88/52/70/553885270.db2.gz XAPISEGPRJNGOV-UHFFFAOYSA-N 0 3 367.374 1.567 20 5 FDBDHN COCCCN1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000608891386 554327591 /nfs/dbraw/zinc/32/75/91/554327591.db2.gz YAAVWRZWCKZVQA-UHFFFAOYSA-N 0 3 353.423 1.144 20 5 FDBDHN COCCN1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609016783 554333542 /nfs/dbraw/zinc/33/35/42/554333542.db2.gz YZRCNVZJDAMLKZ-UHFFFAOYSA-N 0 3 351.403 1.373 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609269198 554354151 /nfs/dbraw/zinc/35/41/51/554354151.db2.gz NAFXSEHWFJTUSC-AWEZNQCLSA-N 0 3 351.403 1.591 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609354038 554371926 /nfs/dbraw/zinc/37/19/26/554371926.db2.gz HZTSXSNKEAMQLC-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609382789 554373039 /nfs/dbraw/zinc/37/30/39/554373039.db2.gz DOLJYVCSZXJJQU-AWEZNQCLSA-N 0 3 355.398 1.995 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609833479 554426512 /nfs/dbraw/zinc/42/65/12/554426512.db2.gz LJXIKNQYIPTAEA-CQSZACIVSA-N 0 3 358.402 1.780 20 5 FDBDHN Cc1nn(CCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000610767838 554559773 /nfs/dbraw/zinc/55/97/73/554559773.db2.gz OOVUZOUFGPWOES-OAHLLOKOSA-N 0 3 365.434 1.168 20 5 FDBDHN Cc1c([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000610810564 554565286 /nfs/dbraw/zinc/56/52/86/554565286.db2.gz ABTFWHXRHAEUGJ-AWEZNQCLSA-N 0 3 370.475 1.131 20 5 FDBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000611195293 554614131 /nfs/dbraw/zinc/61/41/31/554614131.db2.gz DSTJOFVULIMONL-LLVKDONJSA-N 0 3 369.443 1.930 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@]3(CCOC3)C1)OCCO2 ZINC000611293329 554623533 /nfs/dbraw/zinc/62/35/33/554623533.db2.gz AKMFPEROFWDZQQ-CXAGYDPISA-N 0 3 350.371 1.794 20 5 FDBDHN CNc1c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000613234206 554902652 /nfs/dbraw/zinc/90/26/52/554902652.db2.gz UOJZUJVFCAKAPH-AWEZNQCLSA-N 0 3 361.446 1.489 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000616089250 555269479 /nfs/dbraw/zinc/26/94/79/555269479.db2.gz PJILSQLGHAEIFU-HNNXBMFYSA-N 0 3 363.414 1.721 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000618923373 555696687 /nfs/dbraw/zinc/69/66/87/555696687.db2.gz HLMXKPVLSVJWGU-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000618924111 555696691 /nfs/dbraw/zinc/69/66/91/555696691.db2.gz RFQKYNCCBOZLGF-GOSISDBHSA-N 0 3 374.397 1.377 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000619426804 555775096 /nfs/dbraw/zinc/77/50/96/555775096.db2.gz GCFMGODFXLLDEA-CHWSQXEVSA-N 0 3 357.432 1.420 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619480361 555784241 /nfs/dbraw/zinc/78/42/41/555784241.db2.gz GECUEOLTAGDTQM-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000619595849 555805969 /nfs/dbraw/zinc/80/59/69/555805969.db2.gz HDCHCGHBFTZULO-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000453041352 568276372 /nfs/dbraw/zinc/27/63/72/568276372.db2.gz UKXCMTNQDKNOBA-DOMZBBRYSA-N 0 3 356.386 1.260 20 5 FDBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821581789 599137575 /nfs/dbraw/zinc/13/75/75/599137575.db2.gz UYGBJQAWICWIEW-AWEZNQCLSA-N 0 3 354.374 1.885 20 5 FDBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821581789 599137576 /nfs/dbraw/zinc/13/75/76/599137576.db2.gz UYGBJQAWICWIEW-AWEZNQCLSA-N 0 3 354.374 1.885 20 5 FDBDHN CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736800120 598499426 /nfs/dbraw/zinc/49/94/26/598499426.db2.gz ZZCWWUHUOHCONV-UHFFFAOYSA-N 0 3 360.422 1.871 20 5 FDBDHN CN(CC[N@@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736800120 598499428 /nfs/dbraw/zinc/49/94/28/598499428.db2.gz ZZCWWUHUOHCONV-UHFFFAOYSA-N 0 3 360.422 1.871 20 5 FDBDHN CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736800120 598499430 /nfs/dbraw/zinc/49/94/30/598499430.db2.gz ZZCWWUHUOHCONV-UHFFFAOYSA-N 0 3 360.422 1.871 20 5 FDBDHN CN(CC[N@@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736800120 598499432 /nfs/dbraw/zinc/49/94/32/598499432.db2.gz ZZCWWUHUOHCONV-UHFFFAOYSA-N 0 3 360.422 1.871 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C2OCCO2)CC1 ZINC000273077653 674503640 /nfs/dbraw/zinc/50/36/40/674503640.db2.gz WYMFEGQKVLFMHY-AWEZNQCLSA-N 0 3 352.387 1.419 20 5 FDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276196257 674720743 /nfs/dbraw/zinc/72/07/43/674720743.db2.gz ITMKYLBREMSHQD-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN NS(=O)(=O)c1cc(NC[C@@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1 ZINC000277452075 674945962 /nfs/dbraw/zinc/94/59/62/674945962.db2.gz OEMXIBNOXDGMPQ-ZDUSSCGKSA-N 0 3 354.432 1.671 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000124306771 671735946 /nfs/dbraw/zinc/73/59/46/671735946.db2.gz RBHQZPWLABCMMK-UHFFFAOYSA-N 0 3 354.794 1.741 20 5 FDBDHN CCOC(=O)c1cc(S(=O)(=O)N2CCCNCC2)cc([N+](=O)[O-])c1C ZINC000262743736 672840050 /nfs/dbraw/zinc/84/00/50/672840050.db2.gz KTHCLSWUDBHNHB-UHFFFAOYSA-N 0 3 371.415 1.064 20 5 FDBDHN COC(=O)CC[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000288874356 676066633 /nfs/dbraw/zinc/06/66/33/676066633.db2.gz YWDWKPSIZFCQIC-LBPRGKRZSA-N 0 3 352.391 1.102 20 5 FDBDHN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000288918930 676072271 /nfs/dbraw/zinc/07/22/71/676072271.db2.gz UXBCIMMRHHKUQD-HUUCEWRRSA-N 0 3 354.794 1.783 20 5 FDBDHN CC1(C)C[C@H](NCCOCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279146166 675248829 /nfs/dbraw/zinc/24/88/29/675248829.db2.gz SJHRFIFOAXMWGK-HNNXBMFYSA-N 0 3 356.444 1.968 20 5 FDBDHN CN(CCCN1CCCC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281276077 675506858 /nfs/dbraw/zinc/50/68/58/675506858.db2.gz IJMXHHINWJBSLD-UHFFFAOYSA-N 0 3 355.460 1.786 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292137530 676285739 /nfs/dbraw/zinc/28/57/39/676285739.db2.gz YNUNTQHVYBUKSS-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN CCOC(=O)C(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc(C)cs1 ZINC000298291863 676448900 /nfs/dbraw/zinc/44/89/00/676448900.db2.gz FRIYQQCTGAOGEM-CYBMUJFWSA-N 0 3 365.367 1.437 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000363779348 676972964 /nfs/dbraw/zinc/97/29/64/676972964.db2.gz ZZDIVEKETZTEPD-VXGBXAGGSA-N 0 3 351.428 1.910 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000364210005 676999581 /nfs/dbraw/zinc/99/95/81/676999581.db2.gz CJBPVUYJEUVYFZ-CQSZACIVSA-N 0 3 351.403 1.279 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000366690768 677460174 /nfs/dbraw/zinc/46/01/74/677460174.db2.gz QLUKUZXKUFTODO-UHFFFAOYSA-N 0 3 351.403 1.279 20 5 FDBDHN COC(=O)c1cc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415600766 679462404 /nfs/dbraw/zinc/46/24/04/679462404.db2.gz OPSJFGGGSSMIJR-ZJUUUORDSA-N 0 3 350.375 1.904 20 5 FDBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416496624 679640075 /nfs/dbraw/zinc/64/00/75/679640075.db2.gz PYSKGXGATIVSOQ-VIFPVBQESA-N 0 3 367.349 1.844 20 5 FDBDHN COC(=O)COc1ccc(CN2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790149 682711933 /nfs/dbraw/zinc/71/19/33/682711933.db2.gz JVLXCNSDONPFPN-CYBMUJFWSA-N 0 3 352.387 1.741 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000452101372 683027694 /nfs/dbraw/zinc/02/76/94/683027694.db2.gz GKJKQOPARVUKPV-OAHLLOKOSA-N 0 3 355.460 1.882 20 5 FDBDHN C[C@@H](C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452380267 683064850 /nfs/dbraw/zinc/06/48/50/683064850.db2.gz FPNVKKYLHKBGOE-CHWSQXEVSA-N 0 3 353.394 1.800 20 5 FDBDHN CC1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472560827 685219354 /nfs/dbraw/zinc/21/93/54/685219354.db2.gz CWIOFEOSFLWOKT-UHFFFAOYSA-N 0 3 352.366 1.521 20 5 FDBDHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571913 685221085 /nfs/dbraw/zinc/22/10/85/685221085.db2.gz TXNDLDWESDCOJW-CYBMUJFWSA-N 0 3 354.382 1.765 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000498923592 687879754 /nfs/dbraw/zinc/87/97/54/687879754.db2.gz QDWRYCWMOYUEBW-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000532992848 694899023 /nfs/dbraw/zinc/89/90/23/694899023.db2.gz IUAGSOVHYZIBQK-TZMCWYRMSA-N 0 3 366.443 1.627 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359956483 771281115 /nfs/dbraw/zinc/28/11/15/771281115.db2.gz LGMUYYYEBQKFQJ-CABCVRRESA-N 0 3 360.414 1.762 20 5 FDBDHN COC(=O)C[C@](C)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000510755346 779815906 /nfs/dbraw/zinc/81/59/06/779815906.db2.gz WXBFEFBAQVJTPI-KRWDZBQOSA-N 0 3 362.386 1.868 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC001211533464 780993074 /nfs/dbraw/zinc/99/30/74/780993074.db2.gz MFVIHIHDVFLOSV-CHWSQXEVSA-N 0 3 371.415 1.142 20 5 FDBDHN COc1cc(OCC(=O)NC[C@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000375967291 785400655 /nfs/dbraw/zinc/40/06/55/785400655.db2.gz BMSNCVGAPFXEAK-MRXNPFEDSA-N 0 3 371.393 1.985 20 5 FDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472729051 791534374 /nfs/dbraw/zinc/53/43/74/791534374.db2.gz PZQIUEOQFDKKPG-AWEZNQCLSA-N 0 3 366.393 1.909 20 5 FDBDHN COc1cc(CCNC(=O)N2CCN[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000416893789 794770858 /nfs/dbraw/zinc/77/08/58/794770858.db2.gz CIWGEIJQQQPZBC-NWDGAFQWSA-N 0 3 366.418 1.546 20 5 FDBDHN CN1CCO[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000432042662 796258775 /nfs/dbraw/zinc/25/87/75/796258775.db2.gz XQALXWSGJWRHEF-NVXWUHKLSA-N 0 3 358.398 1.807 20 5 FDBDHN N[C@@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CCC1 ZINC000423902735 815265241 /nfs/dbraw/zinc/26/52/41/815265241.db2.gz PHPVMILGEBHMTF-MRXNPFEDSA-N 0 3 372.429 1.637 20 5 FDBDHN CCC[C@@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423903164 815265448 /nfs/dbraw/zinc/26/54/48/815265448.db2.gz QBBODWPTKTZBFH-CYBMUJFWSA-N 0 3 360.418 1.637 20 5 FDBDHN COc1cc(CN2CCC(O)(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000501049137 811973030 /nfs/dbraw/zinc/97/30/30/811973030.db2.gz BEVCGCLMGSYBGR-UHFFFAOYSA-N 0 3 365.430 1.263 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000501496208 813434530 /nfs/dbraw/zinc/43/45/30/813434530.db2.gz MILNGXFREBTOPA-UHFFFAOYSA-N 0 3 359.386 1.537 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C1(OC)CCOCC1 ZINC000421024600 813923837 /nfs/dbraw/zinc/92/38/37/813923837.db2.gz CJBGIQVBWJENEQ-GFCCVEGCSA-N 0 3 367.402 1.716 20 5 FDBDHN COCC(C)(C)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000425500420 816385383 /nfs/dbraw/zinc/38/53/83/816385383.db2.gz BJVZVWFXPWDVIY-OAHLLOKOSA-N 0 3 367.446 1.377 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425547276 816515024 /nfs/dbraw/zinc/51/50/24/816515024.db2.gz LYGQXSAVYRVZAW-NSHDSACASA-N 0 3 358.358 1.500 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000729430954 817604840 /nfs/dbraw/zinc/60/48/40/817604840.db2.gz BULZRXVNMJISOH-CQSZACIVSA-N 0 3 369.393 1.682 20 5 FDBDHN O=c1oc2ccccc2n1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519543164 818078951 /nfs/dbraw/zinc/07/89/51/818078951.db2.gz QEWYUHVFWCXRNE-CQSZACIVSA-N 0 3 373.365 1.532 20 5 FDBDHN CC(C)(C)c1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983656994 818429881 /nfs/dbraw/zinc/42/98/81/818429881.db2.gz GHFRGMOKWJMPPY-FDYHWXHSSA-N 0 3 350.419 1.622 20 5 FDBDHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000281505993 825967716 /nfs/dbraw/zinc/96/77/16/825967716.db2.gz BAIRWXWAEYOWLG-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281698038 826173032 /nfs/dbraw/zinc/17/30/32/826173032.db2.gz GSGSYPCSWSLYEB-UHFFFAOYSA-N 0 3 363.462 1.417 20 5 FDBDHN Cn1c2ccccc2c(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1=O ZINC000897099499 827004688 /nfs/dbraw/zinc/00/46/88/827004688.db2.gz MQQXZRDAISYIBX-UHFFFAOYSA-N 0 3 359.430 1.130 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000444459927 828111074 /nfs/dbraw/zinc/11/10/74/828111074.db2.gz HWZIOVUFOGXPFN-UHFFFAOYSA-N 0 3 373.413 1.846 20 5 FDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000440523297 828174555 /nfs/dbraw/zinc/17/45/55/828174555.db2.gz QFTWIQSZPYNJPB-IBGZPJMESA-N 0 3 355.394 1.962 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448801830 829254571 /nfs/dbraw/zinc/25/45/71/829254571.db2.gz XSIMTDHIWOZJBZ-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448975548 829320236 /nfs/dbraw/zinc/32/02/36/829320236.db2.gz PPIXAIFCDLHAIM-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384532 830631008 /nfs/dbraw/zinc/63/10/08/830631008.db2.gz GHOZGJRVNZVGKP-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925247030 830813987 /nfs/dbraw/zinc/81/39/87/830813987.db2.gz PLESREUROYUMLS-CYBMUJFWSA-N 0 3 363.418 1.071 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000841525470 832301677 /nfs/dbraw/zinc/30/16/77/832301677.db2.gz XITRWYBKCAHIOA-LLVKDONJSA-N 0 3 372.403 1.350 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC000899138911 845858217 /nfs/dbraw/zinc/85/82/17/845858217.db2.gz YYMLDDHELZYACL-GJZGRUSLSA-N 0 3 356.386 1.011 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000899208199 845936640 /nfs/dbraw/zinc/93/66/40/845936640.db2.gz XETURAPMFXTOLK-UHFFFAOYSA-N 0 3 372.429 1.793 20 5 FDBDHN COc1ccc(-c2nc(CNCCNC(=O)[C@@H]3CC3[N+](=O)[O-])co2)cc1 ZINC001126942463 848836007 /nfs/dbraw/zinc/83/60/07/848836007.db2.gz AGSQBCVUGNJYER-HUUCEWRRSA-N 0 3 360.370 1.221 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908202314 855187176 /nfs/dbraw/zinc/18/71/76/855187176.db2.gz NYTBCKSVQJICGK-GJZGRUSLSA-N 0 3 367.833 1.848 20 5 FDBDHN CN(CCO)CCN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000912599178 859933737 /nfs/dbraw/zinc/93/37/37/859933737.db2.gz KOMGZIZNZKNCRM-UHFFFAOYSA-N 0 3 374.235 1.282 20 5 FDBDHN CNc1nc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000456068986 866659661 /nfs/dbraw/zinc/65/96/61/866659661.db2.gz RDFIOOGAKNEOFU-AWEZNQCLSA-N 0 3 371.397 1.850 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000916966803 882736131 /nfs/dbraw/zinc/73/61/31/882736131.db2.gz OZDFWRURXSPPIH-ULQDDVLXSA-N 0 3 368.336 1.591 20 5 FDBDHN C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922347973 877839765 /nfs/dbraw/zinc/83/97/65/877839765.db2.gz QUKRZAJKRVVXNY-CQSZACIVSA-N 0 3 363.462 1.981 20 5 FDBDHN COCCCN(C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585618 877982907 /nfs/dbraw/zinc/98/29/07/877982907.db2.gz YXRMZMVRYNUKIB-KRWDZBQOSA-N 0 3 361.446 1.976 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@]3(C)CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000918351430 884347574 /nfs/dbraw/zinc/34/75/74/884347574.db2.gz JVUNXHFMVMFPJJ-HOTGVXAUSA-N 0 3 369.443 1.566 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000918352537 884354268 /nfs/dbraw/zinc/35/42/68/884354268.db2.gz VUNHUBASINWKJI-HZPDHXFCSA-N 0 3 353.444 1.698 20 5 FDBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429306991 887919665 /nfs/dbraw/zinc/91/96/65/887919665.db2.gz HIKOISUDSKYOND-AWEZNQCLSA-N 0 3 353.378 1.947 20 5 FDBDHN Cc1cc(N(C)C[C@H](O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272817706 890776670 /nfs/dbraw/zinc/77/66/70/890776670.db2.gz IDEOTFDXFWOQRX-HNNXBMFYSA-N 0 3 360.414 1.581 20 5 FDBDHN O=C(NC1CCN(Cc2cccc3c2OCCO3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002786469 893947282 /nfs/dbraw/zinc/94/72/82/893947282.db2.gz BADRMDUKUDISQP-HUUCEWRRSA-N 0 3 361.398 1.204 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)[C@@H]2C1 ZINC000273125080 911103133 /nfs/dbraw/zinc/10/31/33/911103133.db2.gz QFECHNIDHOFYSP-JLZZUVOBSA-N 0 3 358.398 1.640 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1CCN(C2CC2)C1 ZINC000732036559 918948294 /nfs/dbraw/zinc/94/82/94/918948294.db2.gz TUWKDLFNMZRVTR-INIZCTEOSA-N 0 3 374.441 1.740 20 5 FDBDHN C[C@@H]1CCCN1C(=O)c1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018844 928239795 /nfs/dbraw/zinc/23/97/95/928239795.db2.gz COYZYACJWATMPO-HZSPNIEDSA-N 0 3 361.446 1.771 20 5 FDBDHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047924 928255870 /nfs/dbraw/zinc/25/58/70/928255870.db2.gz SORSDFVTWRLHIA-XNJGSVPQSA-N 0 3 371.434 1.574 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000822879177 945280756 /nfs/dbraw/zinc/28/07/56/945280756.db2.gz QLQVESYDWOGXKU-CABCVRRESA-N 0 3 371.397 1.374 20 5 FDBDHN COC(=O)COc1c(C)cc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571187 940743782 /nfs/dbraw/zinc/74/37/82/940743782.db2.gz FDXLSEHENHCKLQ-BXUZGUMPSA-N 0 3 353.375 1.244 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1I ZINC000813102004 941325567 /nfs/dbraw/zinc/32/55/67/941325567.db2.gz MQSQBRFKAPXLSJ-LURJTMIESA-N 0 3 366.111 1.517 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813104698 941326481 /nfs/dbraw/zinc/32/64/81/941326481.db2.gz PYYXIFKIAKFJMP-OLZOCXBDSA-N 0 3 356.400 1.296 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[N+](=O)[O-] ZINC000813106533 941333644 /nfs/dbraw/zinc/33/36/44/941333644.db2.gz FAWDDTRRBCGATP-NSHDSACASA-N 0 3 368.367 1.580 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813106384 941333760 /nfs/dbraw/zinc/33/37/60/941333760.db2.gz CDSONMQRBHSSEE-GFCCVEGCSA-N 0 3 356.400 1.683 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813110857 941334771 /nfs/dbraw/zinc/33/47/71/941334771.db2.gz KUDMAOMCVXVZJF-JSGCOSHPSA-N 0 3 352.362 1.815 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110917 941334778 /nfs/dbraw/zinc/33/47/78/941334778.db2.gz LYXZZUZZQLWGTJ-CYBMUJFWSA-N 0 3 370.427 1.992 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813109354 941334829 /nfs/dbraw/zinc/33/48/29/941334829.db2.gz JACXWGOESDDGLI-VXGBXAGGSA-N 0 3 374.390 1.435 20 5 FDBDHN CC(COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111598 941335857 /nfs/dbraw/zinc/33/58/57/941335857.db2.gz VMIOSJHPFIBFFZ-MRVPVSSYSA-N 0 3 367.343 1.697 20 5 FDBDHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113999 941335910 /nfs/dbraw/zinc/33/59/10/941335910.db2.gz KTZIEJOSRPDAGN-SNVBAGLBSA-N 0 3 362.379 1.677 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000817490241 942793315 /nfs/dbraw/zinc/79/33/15/942793315.db2.gz ANFRZQRHRHBRGO-OAHLLOKOSA-N 0 3 362.430 1.598 20 5 FDBDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818958578 943364566 /nfs/dbraw/zinc/36/45/66/943364566.db2.gz RBFRJYLBLORSOQ-MRXNPFEDSA-N 0 3 350.396 1.822 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308051 943512119 /nfs/dbraw/zinc/51/21/19/943512119.db2.gz NBMWRTBEHWXAAO-CABCVRRESA-N 0 3 357.432 1.032 20 5 FDBDHN CN1CCN(c2ccnc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001171050498 946280698 /nfs/dbraw/zinc/28/06/98/946280698.db2.gz DIRPVEWESJWJAI-QGZVFWFLSA-N 0 3 371.397 1.414 20 5 FDBDHN O=C1OCCN1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000775672465 971227696 /nfs/dbraw/zinc/22/76/96/971227696.db2.gz HKJLYFYVURNSBS-UHFFFAOYSA-N 0 3 374.401 1.435 20 5 FDBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845882232 950060269 /nfs/dbraw/zinc/06/02/69/950060269.db2.gz RUMZANAKNLSBDU-HZMBPMFUSA-N 0 3 352.322 1.627 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000466767293 971760433 /nfs/dbraw/zinc/76/04/33/971760433.db2.gz LLNYIUWODHUABE-ZBFHGGJFSA-N 0 3 373.457 1.909 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4c(n3)CCNC4)no2)n1 ZINC001212698657 961902671 /nfs/dbraw/zinc/90/26/71/961902671.db2.gz QJUMEDXBQRERTB-UHFFFAOYSA-N 0 3 354.326 1.756 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1Cl ZINC000854644820 969051149 /nfs/dbraw/zinc/05/11/49/969051149.db2.gz UBHRNPQMFALSIP-UHFFFAOYSA-N 0 3 366.849 1.876 20 5 FDBDHN C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000865802531 974507336 /nfs/dbraw/zinc/50/73/36/974507336.db2.gz KEWYQJFWKYFSME-ZDUSSCGKSA-N 0 3 352.410 1.276 20 5 FDBDHN CN1CCN(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866154752 975439060 /nfs/dbraw/zinc/43/90/60/975439060.db2.gz ZMIKLSHWLVLCAV-UHFFFAOYSA-N 0 3 365.409 1.978 20 5 FDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000866296695 975539466 /nfs/dbraw/zinc/53/94/66/975539466.db2.gz DMROTMAMLJHBNQ-ABAIWWIYSA-N 0 3 361.377 1.794 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306677 976590562 /nfs/dbraw/zinc/59/05/62/976590562.db2.gz XHNKFQNWAKVYNR-WDEREUQCSA-N 0 3 357.769 1.207 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849506090 977701010 /nfs/dbraw/zinc/70/10/10/977701010.db2.gz LGKVIWZGZCTZIE-MSOLQXFVSA-N 0 3 371.441 1.723 20 5 FDBDHN O=C1CC[C@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000851935217 979199430 /nfs/dbraw/zinc/19/94/30/979199430.db2.gz MHJGBNDFJOXUNP-CYBMUJFWSA-N 0 3 359.386 1.689 20 5 FDBDHN O=[N+]([O-])c1c(N[C@H]2CCCN(CCN3CCOCC3)C2)nc2ccccn21 ZINC000882987598 981862540 /nfs/dbraw/zinc/86/25/40/981862540.db2.gz JNJLDUCUCZHIHA-HNNXBMFYSA-N 0 3 374.445 1.451 20 5 FDBDHN CCON(CC)C(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000862453689 984394787 /nfs/dbraw/zinc/39/47/87/984394787.db2.gz XTUYLAJEUBCWTR-GFCCVEGCSA-N 0 3 352.391 1.702 20 5 FDBDHN CC(C)[C@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCN1C ZINC000872737394 988023627 /nfs/dbraw/zinc/02/36/27/988023627.db2.gz MTTMENJKTPAOKO-OAHLLOKOSA-N 0 3 361.402 1.641 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000360448595 988039692 /nfs/dbraw/zinc/03/96/92/988039692.db2.gz NMFJEAMCBBSURI-AWEZNQCLSA-N 0 3 361.446 1.277 20 5 FDBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000366189433 988522509 /nfs/dbraw/zinc/52/25/09/988522509.db2.gz ADTNSFDAQHHKJG-UHFFFAOYSA-N 0 3 355.398 1.822 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294924829 988569368 /nfs/dbraw/zinc/56/93/68/988569368.db2.gz KVDUDZBOADFNBB-UHFFFAOYSA-N 0 3 372.429 1.352 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCOCC3)C2)c2ncccc12 ZINC000362323164 988632296 /nfs/dbraw/zinc/63/22/96/988632296.db2.gz WIVUIUCINCYFDB-HNNXBMFYSA-N 0 3 371.441 1.961 20 5 FDBDHN COCCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000363205931 988992046 /nfs/dbraw/zinc/99/20/46/988992046.db2.gz YVHOMTNYTMCHAX-UHFFFAOYSA-N 0 3 369.393 1.684 20 5 FDBDHN O=C1Nc2ccccc2[C@]12CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000364315965 989534979 /nfs/dbraw/zinc/53/49/79/989534979.db2.gz QLRWYCYXMFJGMX-GOSISDBHSA-N 0 3 354.366 1.352 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000364650339 989699395 /nfs/dbraw/zinc/69/93/95/989699395.db2.gz GUZGBRFGXWFPLM-AWEZNQCLSA-N 0 3 363.418 1.967 20 5 FDBDHN CCOC(=O)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298327276 990046111 /nfs/dbraw/zinc/04/61/11/990046111.db2.gz WRNANNDHZBCTMS-INIZCTEOSA-N 0 3 366.414 2.000 20 5 FDBDHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000371613497 990570733 /nfs/dbraw/zinc/57/07/33/990570733.db2.gz IDGLNRKNTNHJRJ-UKRRQHHQSA-N 0 3 370.413 1.970 20 5 FDBDHN CN1CCC[C@@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1=O ZINC000372548137 991203397 /nfs/dbraw/zinc/20/33/97/991203397.db2.gz QHGQFGXQCJZFKX-APWZRJJASA-N 0 3 372.425 1.644 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000373174599 991976949 /nfs/dbraw/zinc/97/69/49/991976949.db2.gz BDXJSFAEDJQMCR-CYBMUJFWSA-N 0 3 360.374 1.050 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000876473722 992641519 /nfs/dbraw/zinc/64/15/19/992641519.db2.gz RYKICCREILMWPW-MRXNPFEDSA-N 0 3 373.356 1.292 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891278 992774613 /nfs/dbraw/zinc/77/46/13/992774613.db2.gz HTPXJEHBXHGDTO-PBHICJAKSA-N 0 3 364.446 1.018 20 5 FDBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889738749 998558236 /nfs/dbraw/zinc/55/82/36/998558236.db2.gz BNPLOPRBSVUJME-ZJPYXAASSA-N 0 3 359.426 1.756 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889774656 998643947 /nfs/dbraw/zinc/64/39/47/998643947.db2.gz QIMBYPKBMMQDFJ-ZWKOTPCHSA-N 0 3 372.425 1.607 20 5 FDBDHN CCOc1ccc([C@H](COC)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284848418 999872913 /nfs/dbraw/zinc/87/29/13/999872913.db2.gz TVXGSKLEFQEMDG-RDJZCZTQSA-N 0 3 364.402 1.528 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CCN(C)CC2)nc1 ZINC000289324177 1000090640 /nfs/dbraw/zinc/09/06/40/1000090640.db2.gz GAUWOVAAQBLGHS-UHFFFAOYSA-N 0 3 370.457 1.811 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438302 1001521139 /nfs/dbraw/zinc/52/11/39/1001521139.db2.gz DXFROTIVAWWKAE-JLJPHGGASA-N 0 3 374.441 1.717 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000935411118 1005907495 /nfs/dbraw/zinc/90/74/95/1005907495.db2.gz VWHJQZDSFUYJJL-BBRMVZONSA-N 0 3 357.414 1.736 20 5 FDBDHN CN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935818953 1006038317 /nfs/dbraw/zinc/03/83/17/1006038317.db2.gz MVUHCROKWBAXLT-DLBZAZTESA-N 0 3 360.458 1.841 20 5 FDBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CNCCO1 ZINC000643603503 1008159007 /nfs/dbraw/zinc/15/90/07/1008159007.db2.gz PTUNSSQTBXIXTM-AWEZNQCLSA-N 0 3 351.406 1.259 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000193352820 178159017 /nfs/dbraw/zinc/15/90/17/178159017.db2.gz LTGYWDFUHRGGEB-QMMMGPOBSA-N 0 3 353.322 1.644 20 5 FDBDHN O=C(C[C@H]1CSCCN1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238082316 178347695 /nfs/dbraw/zinc/34/76/95/178347695.db2.gz FXWMWMLDCRLDAD-ZDUSSCGKSA-N 0 3 350.444 1.339 20 5 FDBDHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 ZINC000267899701 674029156 /nfs/dbraw/zinc/02/91/56/674029156.db2.gz BDAQADHEJNFBAQ-RYUDHWBXSA-N 0 3 351.407 1.390 20 5 FDBDHN O=C1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000516964910 539336862 /nfs/dbraw/zinc/33/68/62/539336862.db2.gz CGPUDZXFXADOQU-RHSMWYFYSA-N 0 3 371.393 1.730 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000263956060 179004458 /nfs/dbraw/zinc/00/44/58/179004458.db2.gz CGQXCBNTCSBTAB-XJKSGUPXSA-N 0 3 362.430 1.574 20 5 FDBDHN Cc1[nH]nc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000264219896 179052563 /nfs/dbraw/zinc/05/25/63/179052563.db2.gz UEFKTCXUXTZHCO-UHFFFAOYSA-N 0 3 372.429 1.800 20 5 FDBDHN Cc1n[nH]c(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000264219896 179052566 /nfs/dbraw/zinc/05/25/66/179052566.db2.gz UEFKTCXUXTZHCO-UHFFFAOYSA-N 0 3 372.429 1.800 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264880796 179229241 /nfs/dbraw/zinc/22/92/41/179229241.db2.gz IAOCNVXOKJOBPW-FDMDGMSGSA-N 0 3 360.458 1.998 20 5 FDBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)CN1CCN(C)CC1 ZINC000265152776 179299636 /nfs/dbraw/zinc/29/96/36/179299636.db2.gz ZDGIKHRRIRDVIK-CYBMUJFWSA-N 0 3 359.430 1.689 20 5 FDBDHN CN1CCN(CCCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000523479202 539610089 /nfs/dbraw/zinc/61/00/89/539610089.db2.gz CYLBFFBNAGCIOX-UHFFFAOYSA-N 0 3 361.446 1.919 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268158652 180011795 /nfs/dbraw/zinc/01/17/95/180011795.db2.gz CIZQKBFHKVHFFR-IAQYHMDHSA-N 0 3 356.386 1.388 20 5 FDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCN1CCc2ccccc2C1 ZINC000269613430 180340880 /nfs/dbraw/zinc/34/08/80/180340880.db2.gz KWOLCQLJGYMRIL-UHFFFAOYSA-N 0 3 370.409 1.321 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CN(C)C)cc1SC ZINC000269952756 180433050 /nfs/dbraw/zinc/43/30/50/180433050.db2.gz WCADUYZYUJDLBX-OAHLLOKOSA-N 0 3 357.432 1.368 20 5 FDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000270735776 180523960 /nfs/dbraw/zinc/52/39/60/180523960.db2.gz BNLPYRIZWGBYFP-CYBMUJFWSA-N 0 3 372.429 1.978 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(N)=O ZINC000274091897 181024496 /nfs/dbraw/zinc/02/44/96/181024496.db2.gz UAXLKMTWBKLSNT-UHTWSYAYSA-N 0 3 364.402 1.564 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274535934 181116464 /nfs/dbraw/zinc/11/64/64/181116464.db2.gz FMJPCQSHRFZNJX-HNNXBMFYSA-N 0 3 363.462 1.463 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934262395 781932685 /nfs/dbraw/zinc/93/26/85/781932685.db2.gz WMNTVBJTGVLGCS-XYPHTWIQSA-N 0 3 362.430 1.453 20 5 FDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1N1CCCC1 ZINC000274695012 181148062 /nfs/dbraw/zinc/14/80/62/181148062.db2.gz RXYLPACUJMVJHU-OLZOCXBDSA-N 0 3 351.432 1.105 20 5 FDBDHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)cc([N+](=O)[O-])c1 ZINC000534662498 540396494 /nfs/dbraw/zinc/39/64/94/540396494.db2.gz XFCNFFLEYKJXJY-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN CN(C)C1(CN(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000275394846 181308215 /nfs/dbraw/zinc/30/82/15/181308215.db2.gz HHNHOVQVRMZYEG-UHFFFAOYSA-N 0 3 364.402 1.678 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCNC(=O)N(C)C ZINC000538628279 540874079 /nfs/dbraw/zinc/87/40/79/540874079.db2.gz RMUJIJPYLKFKIY-UHFFFAOYSA-N 0 3 367.406 1.135 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000539480640 540964628 /nfs/dbraw/zinc/96/46/28/540964628.db2.gz NMDUDJGPBRZFCD-HUUCEWRRSA-N 0 3 352.460 1.819 20 5 FDBDHN COCC(=O)N1CCC(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000540600412 541080131 /nfs/dbraw/zinc/08/01/31/541080131.db2.gz KKYLXJVAHACBOS-UHFFFAOYSA-N 0 3 367.402 1.339 20 5 FDBDHN CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccncc1 ZINC000541852537 541281892 /nfs/dbraw/zinc/28/18/92/541281892.db2.gz WSCLXMCGFFLQOY-UHFFFAOYSA-N 0 3 370.413 1.560 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763315 541462554 /nfs/dbraw/zinc/46/25/54/541462554.db2.gz UKLFASVEOYTODQ-ZDUSSCGKSA-N 0 3 354.382 1.948 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000542913278 541501558 /nfs/dbraw/zinc/50/15/58/541501558.db2.gz AMRXAXWUCIARTI-INIZCTEOSA-N 0 3 358.398 1.430 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(CCN(C)C)CC2)c1 ZINC000542971447 541511651 /nfs/dbraw/zinc/51/16/51/541511651.db2.gz NTBVHAQDNPWGOS-UHFFFAOYSA-N 0 3 350.419 1.819 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000543027270 541522127 /nfs/dbraw/zinc/52/21/27/541522127.db2.gz LDCAWOIULGKKIF-QGZVFWFLSA-N 0 3 370.409 1.877 20 5 FDBDHN CN(C)CCOCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000543387618 541584457 /nfs/dbraw/zinc/58/44/57/541584457.db2.gz OJTPJHSSSOIUCX-UHFFFAOYSA-N 0 3 361.402 1.303 20 5 FDBDHN C[C@@H](C(=O)NCCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544507018 541779007 /nfs/dbraw/zinc/77/90/07/541779007.db2.gz YNWFINQVVHGDBC-CQSZACIVSA-N 0 3 366.437 1.981 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544620124 541796572 /nfs/dbraw/zinc/79/65/72/541796572.db2.gz RJNVRVFMFPSKKE-GFCCVEGCSA-N 0 3 353.398 1.881 20 5 FDBDHN CN1CC=C(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000544846701 541841528 /nfs/dbraw/zinc/84/15/28/541841528.db2.gz GTBGJXDAUOUJDH-UHFFFAOYSA-N 0 3 360.414 1.741 20 5 FDBDHN COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282424771 182009022 /nfs/dbraw/zinc/00/90/22/182009022.db2.gz YUKGXBCMFIFSMF-KBPBESRZSA-N 0 3 371.459 1.668 20 5 FDBDHN COc1cc(OCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000295371643 184064296 /nfs/dbraw/zinc/06/42/96/184064296.db2.gz OUNQBUYPFCQKNW-CYBMUJFWSA-N 0 3 363.414 1.925 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295722803 184098356 /nfs/dbraw/zinc/09/83/56/184098356.db2.gz QRVVGXPZOAUUEZ-ZIAGYGMSSA-N 0 3 374.441 1.656 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000296659664 184188128 /nfs/dbraw/zinc/18/81/28/184188128.db2.gz XJBODOGVWDONAF-SNVBAGLBSA-N 0 3 352.366 1.580 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296820663 184204396 /nfs/dbraw/zinc/20/43/96/184204396.db2.gz RSYDQCFMIKPQKA-LBPRGKRZSA-N 0 3 369.393 1.973 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000547761579 542439574 /nfs/dbraw/zinc/43/95/74/542439574.db2.gz ZNKVKMAHSQCRAQ-CQSZACIVSA-N 0 3 359.386 1.205 20 5 FDBDHN Nc1nccc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548058976 542542709 /nfs/dbraw/zinc/54/27/09/542542709.db2.gz HAYGKUMNGKZJFY-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000118722729 258260280 /nfs/dbraw/zinc/26/02/80/258260280.db2.gz MPAQOMIGHLRKQA-UHFFFAOYSA-N 0 3 350.419 1.237 20 5 FDBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCCC2)C1 ZINC000110517610 132246879 /nfs/dbraw/zinc/24/68/79/132246879.db2.gz REPDFMGCTDPZHK-CQSZACIVSA-N 0 3 374.397 1.017 20 5 FDBDHN Nc1nccc(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000548713070 542761312 /nfs/dbraw/zinc/76/13/12/542761312.db2.gz SXGLSWGFIPDDSR-UHFFFAOYSA-N 0 3 355.398 1.750 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072797547 172050028 /nfs/dbraw/zinc/05/00/28/172050028.db2.gz YWEQIAXDSXQHIV-HNNXBMFYSA-N 0 3 364.446 1.620 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000076831782 172117951 /nfs/dbraw/zinc/11/79/51/172117951.db2.gz USGXBNIGWLATTC-UHFFFAOYSA-N 0 3 371.459 1.546 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000078593265 172149202 /nfs/dbraw/zinc/14/92/02/172149202.db2.gz IAIILCVYBOSOON-UHFFFAOYSA-N 0 3 352.439 1.028 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000090552038 172266958 /nfs/dbraw/zinc/26/69/58/172266958.db2.gz LJDJYUYCUGRREG-INIZCTEOSA-N 0 3 351.403 1.417 20 5 FDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000097285326 172329133 /nfs/dbraw/zinc/32/91/33/172329133.db2.gz SNCCXFAJZSXROH-UHFFFAOYSA-N 0 3 354.363 1.510 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000102647880 172352696 /nfs/dbraw/zinc/35/26/96/172352696.db2.gz NTAMVBWXBBUVBP-ZIAGYGMSSA-N 0 3 365.434 1.139 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000102788022 172355441 /nfs/dbraw/zinc/35/54/41/172355441.db2.gz LQJMTTWGARCGHP-OAHLLOKOSA-N 0 3 366.393 1.406 20 5 FDBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000103113189 172359571 /nfs/dbraw/zinc/35/95/71/172359571.db2.gz QPXIMPAHAMRWGL-UHFFFAOYSA-N 0 3 372.425 1.655 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000130760444 173179816 /nfs/dbraw/zinc/17/98/16/173179816.db2.gz XIADRAGVMYMPMQ-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000133315545 173261465 /nfs/dbraw/zinc/26/14/65/173261465.db2.gz WKXSFZBALMZZGI-CABCVRRESA-N 0 3 360.414 1.927 20 5 FDBDHN CC1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000137555299 173371573 /nfs/dbraw/zinc/37/15/73/173371573.db2.gz YYRGTOOIASUZMF-UHFFFAOYSA-N 0 3 374.441 1.611 20 5 FDBDHN O=[N+]([O-])c1ccccc1CNCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171842073 173902812 /nfs/dbraw/zinc/90/28/12/173902812.db2.gz FSZCQKGLITWECR-UHFFFAOYSA-N 0 3 363.386 1.949 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000176057007 174047958 /nfs/dbraw/zinc/04/79/58/174047958.db2.gz NTERHTLYMZNNOW-NSHDSACASA-N 0 3 357.407 1.805 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000176127061 174053297 /nfs/dbraw/zinc/05/32/97/174053297.db2.gz UVYPOHRQYRYNOL-HOCLYGCPSA-N 0 3 357.414 1.961 20 5 FDBDHN Cc1ccc(NC(=O)[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000177739753 174153898 /nfs/dbraw/zinc/15/38/98/174153898.db2.gz GEHZYXVPWNSTFE-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN CCCNC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181515750 174229756 /nfs/dbraw/zinc/22/97/56/174229756.db2.gz QVUYZBCNRNHKLE-OAHLLOKOSA-N 0 3 365.430 1.573 20 5 FDBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181662421 174240350 /nfs/dbraw/zinc/24/03/50/174240350.db2.gz KCKHAFQJPRYVED-ZDUSSCGKSA-N 0 3 366.393 1.911 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1 ZINC000180198988 258364056 /nfs/dbraw/zinc/36/40/56/258364056.db2.gz VHROBUPPJMKBTR-ZDUSSCGKSA-N 0 3 365.839 1.148 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173712195 258308377 /nfs/dbraw/zinc/30/83/77/258308377.db2.gz OBFPPJHNFRLRBD-MRXNPFEDSA-N 0 3 357.414 1.914 20 5 FDBDHN COc1ccc(OCCN2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000174027493 258317646 /nfs/dbraw/zinc/31/76/46/258317646.db2.gz WJWNXCICDKVPJR-OAHLLOKOSA-N 0 3 365.430 1.779 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178822317 258336083 /nfs/dbraw/zinc/33/60/83/258336083.db2.gz BKHHNPMRQDJTKX-HNNXBMFYSA-N 0 3 362.430 1.496 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247277945 258397917 /nfs/dbraw/zinc/39/79/17/258397917.db2.gz FTYZXFJPQMIXBW-KCQAQPDRSA-N 0 3 362.430 1.654 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCC(O)CC2)cc([N+](=O)[O-])c1OC ZINC000265977333 258421575 /nfs/dbraw/zinc/42/15/75/258421575.db2.gz XRDDUMAXDNTPFN-UHFFFAOYSA-N 0 3 367.402 1.189 20 5 FDBDHN CC(=O)NCC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000553960508 543725089 /nfs/dbraw/zinc/72/50/89/543725089.db2.gz BHGSXSMOPZLECF-HZPDHXFCSA-N 0 3 365.430 1.573 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000554720170 543859578 /nfs/dbraw/zinc/85/95/78/543859578.db2.gz KPOAXPMSDLDJBB-HUUCEWRRSA-N 0 3 373.413 1.383 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCS1(=O)=O ZINC000558328267 544410824 /nfs/dbraw/zinc/41/08/24/544410824.db2.gz RCJOXXNXIQXFRI-IUODEOHRSA-N 0 3 369.443 1.869 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000558033523 544375921 /nfs/dbraw/zinc/37/59/21/544375921.db2.gz QBDXDJNWIAUSSX-DYVFJYSZSA-N 0 3 364.450 1.381 20 5 FDBDHN Cc1[nH]nc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1[N+](=O)[O-] ZINC000299536159 259004719 /nfs/dbraw/zinc/00/47/19/259004719.db2.gz GBEIPBDIMPHATN-UHFFFAOYSA-N 0 3 374.357 1.348 20 5 FDBDHN Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)N(C)C)cc1 ZINC000299541864 259005170 /nfs/dbraw/zinc/00/51/70/259005170.db2.gz UPBIVXSTIVUTMV-INIZCTEOSA-N 0 3 358.398 1.484 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301154953 259022026 /nfs/dbraw/zinc/02/20/26/259022026.db2.gz PKJLXWLYVXPJRI-CYBMUJFWSA-N 0 3 350.375 1.978 20 5 FDBDHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301213154 259023399 /nfs/dbraw/zinc/02/33/99/259023399.db2.gz WHOTYROYDXBCAY-UHFFFAOYSA-N 0 3 360.414 1.542 20 5 FDBDHN CN1CCC[C@H](N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)C1 ZINC000301309269 259025532 /nfs/dbraw/zinc/02/55/32/259025532.db2.gz XJZCMWGDAXRMLI-ZDUSSCGKSA-N 0 3 372.429 1.460 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)s1 ZINC000301933862 259036226 /nfs/dbraw/zinc/03/62/26/259036226.db2.gz NRMKWIQUEWWIKV-TUAOUCFPSA-N 0 3 371.484 1.980 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000331907648 259227979 /nfs/dbraw/zinc/22/79/79/259227979.db2.gz RFFSIDNBFUILBF-HNNXBMFYSA-N 0 3 362.430 1.496 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000363924021 259683871 /nfs/dbraw/zinc/68/38/71/259683871.db2.gz UKQCCVWYUHGCKO-HNNXBMFYSA-N 0 3 361.446 1.418 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172459 260005125 /nfs/dbraw/zinc/00/51/25/260005125.db2.gz XURQDZOTWFLZLF-QGZVFWFLSA-N 0 3 362.474 1.933 20 5 FDBDHN O=[N+]([O-])c1ccc(Cl)cc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000367344695 260027682 /nfs/dbraw/zinc/02/76/82/260027682.db2.gz AAMLXZKCASAJJE-ZDUSSCGKSA-N 0 3 373.862 1.994 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367446469 260043124 /nfs/dbraw/zinc/04/31/24/260043124.db2.gz FFCNWKAUWOPNSO-KBXCAEBGSA-N 0 3 358.398 1.131 20 5 FDBDHN O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000367784628 260091326 /nfs/dbraw/zinc/09/13/26/260091326.db2.gz QZZDGIRWYIEYLG-HNNXBMFYSA-N 0 3 370.413 1.840 20 5 FDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COCC(F)(F)F)CC2)n1 ZINC000367931569 260111730 /nfs/dbraw/zinc/11/17/30/260111730.db2.gz KHWVUSLCZACGDA-LLVKDONJSA-N 0 3 352.313 1.368 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000368595356 260207269 /nfs/dbraw/zinc/20/72/69/260207269.db2.gz SMRXVYDBBNULJE-WBMJQRKESA-N 0 3 361.398 1.938 20 5 FDBDHN Cn1cc(CNC[C@@H]2CN(C3CC3)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368683554 260219794 /nfs/dbraw/zinc/21/97/94/260219794.db2.gz FXWNMLVGHNGPKK-GOSISDBHSA-N 0 3 371.441 1.948 20 5 FDBDHN C[C@@H](CO)N1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000368974605 260271350 /nfs/dbraw/zinc/27/13/50/260271350.db2.gz PULOZTPWKLXZHP-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4nonc43)C2)CC1 ZINC000369008958 260275881 /nfs/dbraw/zinc/27/58/81/260275881.db2.gz IDBRCHCIRUMDIN-ZDUSSCGKSA-N 0 3 360.418 1.595 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369310182 260337933 /nfs/dbraw/zinc/33/79/33/260337933.db2.gz MFEWVFICYYDPJB-QGZVFWFLSA-N 0 3 360.458 1.623 20 5 FDBDHN CCCN1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000369329175 260341531 /nfs/dbraw/zinc/34/15/31/260341531.db2.gz INBRLHYRYIUJAB-UHFFFAOYSA-N 0 3 364.402 1.680 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000369561840 260391933 /nfs/dbraw/zinc/39/19/33/260391933.db2.gz SVNNJUPIIVAZOM-NWDGAFQWSA-N 0 3 350.375 1.442 20 5 FDBDHN CN1C(=O)C[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccc(F)cc1 ZINC000372805537 260932917 /nfs/dbraw/zinc/93/29/17/260932917.db2.gz OFXUCGNOUBAUPR-MAUKXSAKSA-N 0 3 374.372 1.457 20 5 FDBDHN O=C1[C@@H](N2CCC[C@@H](c3nc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374551427 261152498 /nfs/dbraw/zinc/15/24/98/261152498.db2.gz XDNIEKODTOAEOH-DOMZBBRYSA-N 0 3 356.386 1.698 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000375022292 261249403 /nfs/dbraw/zinc/24/94/03/261249403.db2.gz QZCGKDFOYQLMTD-BXUZGUMPSA-N 0 3 360.370 1.055 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000377477737 261805350 /nfs/dbraw/zinc/80/53/50/261805350.db2.gz NXTLRUJDODFHDZ-GFCCVEGCSA-N 0 3 352.416 1.211 20 5 FDBDHN CN(C)Cc1ccc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015140443 518711084 /nfs/dbraw/zinc/71/10/84/518711084.db2.gz VKDZKHFQVIMBSN-UHFFFAOYSA-N 0 3 370.409 1.703 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(N)=O)CC1 ZINC000026218768 519108789 /nfs/dbraw/zinc/10/87/89/519108789.db2.gz MPENAWSKUPFWPK-UHFFFAOYSA-N 0 3 350.375 1.129 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073900202 522631052 /nfs/dbraw/zinc/63/10/52/522631052.db2.gz PZXZTGVACUWAQR-HNNXBMFYSA-N 0 3 363.462 1.668 20 5 FDBDHN Cc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068064917 523680111 /nfs/dbraw/zinc/68/01/11/523680111.db2.gz LQBIPOMUFFZHKH-LBPRGKRZSA-N 0 3 358.402 1.698 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000120957030 524110736 /nfs/dbraw/zinc/11/07/36/524110736.db2.gz JJUPFWMZMBHCJQ-UHFFFAOYSA-N 0 3 362.430 1.998 20 5 FDBDHN CN(Cc1ccccc1)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081532562 524144389 /nfs/dbraw/zinc/14/43/89/524144389.db2.gz HAGZFZBZRVTTFL-WMZOPIPTSA-N 0 3 359.430 1.359 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000110997964 524183574 /nfs/dbraw/zinc/18/35/74/524183574.db2.gz FFJFJYJVEAHLHI-CYBMUJFWSA-N 0 3 351.403 1.973 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172344251 524206696 /nfs/dbraw/zinc/20/66/96/524206696.db2.gz QHSRRFYRALIVBI-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN O=C(CCN1CCC[C@@H](N2CCNC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000139023061 524272311 /nfs/dbraw/zinc/27/23/11/524272311.db2.gz UIIXLMRHUKYCEC-CYBMUJFWSA-N 0 3 361.402 1.413 20 5 FDBDHN COc1cc(CCNC(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000139442404 524286871 /nfs/dbraw/zinc/28/68/71/524286871.db2.gz SLJSSOMWEZFKLV-ZDUSSCGKSA-N 0 3 366.418 1.548 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000173991509 524499560 /nfs/dbraw/zinc/49/95/60/524499560.db2.gz YUBVAOFTHKOKKJ-GFCCVEGCSA-N 0 3 357.432 1.708 20 5 FDBDHN O=C1[C@H](N2CCN(c3ccncc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000151328009 524555024 /nfs/dbraw/zinc/55/50/24/524555024.db2.gz GUTFAMJYSJGFJL-GOSISDBHSA-N 0 3 367.409 1.917 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000112851337 524575346 /nfs/dbraw/zinc/57/53/46/524575346.db2.gz DHKQLJWAUBDNOS-CJNGLKHVSA-N 0 3 360.414 1.866 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000112922378 524598978 /nfs/dbraw/zinc/59/89/78/524598978.db2.gz PEAHMKCSUJLXFE-LBPRGKRZSA-N 0 3 354.476 1.968 20 5 FDBDHN COc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])cc1F ZINC000151618142 524629757 /nfs/dbraw/zinc/62/97/57/524629757.db2.gz LJQWAQDACVXQLW-CYBMUJFWSA-N 0 3 366.393 1.485 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000159385485 524658254 /nfs/dbraw/zinc/65/82/54/524658254.db2.gz TUBZUJHMJNHSPA-QGZVFWFLSA-N 0 3 362.430 1.388 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174715631 524702395 /nfs/dbraw/zinc/70/23/95/524702395.db2.gz GKDMEEAPAREXTC-UHFFFAOYSA-N 0 3 374.445 1.714 20 5 FDBDHN O=[N+]([O-])c1c(NCCCCN2CCN(CCO)CC2)nc2sccn21 ZINC000114450867 524803056 /nfs/dbraw/zinc/80/30/56/524803056.db2.gz ALPYUHRGRSHWAO-UHFFFAOYSA-N 0 3 368.463 1.106 20 5 FDBDHN O=C(NCC1(CN2CCOCC2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000152540376 524921618 /nfs/dbraw/zinc/92/16/18/524921618.db2.gz JYTAZVWSGBFMOD-UHFFFAOYSA-N 0 3 351.407 1.330 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000152612975 524944642 /nfs/dbraw/zinc/94/46/42/524944642.db2.gz SFEVWEIKLFLJHY-GOSISDBHSA-N 0 3 364.446 1.628 20 5 FDBDHN CCc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000152825066 525018035 /nfs/dbraw/zinc/01/80/35/525018035.db2.gz FARJGFLKXORYRB-INIZCTEOSA-N 0 3 374.441 1.536 20 5 FDBDHN CCOc1ccc([C@@H](C)NCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000152875039 525035923 /nfs/dbraw/zinc/03/59/23/525035923.db2.gz UZZOJJAJLICVPK-GFCCVEGCSA-N 0 3 351.403 1.926 20 5 FDBDHN Cc1sc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000152985092 525067854 /nfs/dbraw/zinc/06/78/54/525067854.db2.gz UPBFJPCRZXSLCW-GFCCVEGCSA-N 0 3 366.443 1.343 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000161710807 525156509 /nfs/dbraw/zinc/15/65/09/525156509.db2.gz GOUOYNMZBNPEPR-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153494221 525227881 /nfs/dbraw/zinc/22/78/81/525227881.db2.gz ALXWPRFJSMWBAX-CQSZACIVSA-N 0 3 374.235 1.329 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(F)cc1 ZINC000116922543 525253013 /nfs/dbraw/zinc/25/30/13/525253013.db2.gz PEIPBKZZEBLGNF-UHFFFAOYSA-N 0 3 353.375 1.802 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162590084 525283272 /nfs/dbraw/zinc/28/32/72/525283272.db2.gz HENCJWJOTRBHNZ-KRWDZBQOSA-N 0 3 362.430 1.212 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162745882 525310055 /nfs/dbraw/zinc/31/00/55/525310055.db2.gz WDHVPOWAOPNPCX-MRXNPFEDSA-N 0 3 362.430 1.342 20 5 FDBDHN C[C@H]1CC[C@H](C(N)=O)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339051 525322263 /nfs/dbraw/zinc/32/22/63/525322263.db2.gz XSHYMSZNWNUGQQ-RYUDHWBXSA-N 0 3 362.386 1.479 20 5 FDBDHN Cc1ccccc1CN1CCC(NC(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000178466626 525434257 /nfs/dbraw/zinc/43/42/57/525434257.db2.gz VGCMTKUKSZIILE-UHFFFAOYSA-N 0 3 357.414 1.881 20 5 FDBDHN C[C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C1CC1 ZINC000105267244 525484530 /nfs/dbraw/zinc/48/45/30/525484530.db2.gz CRKQTIWAVOXFIM-AWEZNQCLSA-N 0 3 361.446 1.909 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000128058032 525499304 /nfs/dbraw/zinc/49/93/04/525499304.db2.gz DVSZCKJJWIRPQP-HNNXBMFYSA-N 0 3 350.419 1.417 20 5 FDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000154493532 525552295 /nfs/dbraw/zinc/55/22/95/525552295.db2.gz PAVQNFYILBMGAR-UHFFFAOYSA-N 0 3 372.429 1.951 20 5 FDBDHN CS(=O)(=O)NCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171049419 525816463 /nfs/dbraw/zinc/81/64/63/525816463.db2.gz IVJMIEWNYRUAIX-UHFFFAOYSA-N 0 3 353.400 1.884 20 5 FDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000155320226 525823576 /nfs/dbraw/zinc/82/35/76/525823576.db2.gz BRDLZYMMIDNFFP-GWCFXTLKSA-N 0 3 354.432 1.314 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106961860 525833801 /nfs/dbraw/zinc/83/38/01/525833801.db2.gz AQCTZRFBANAIJV-CQSZACIVSA-N 0 3 360.414 1.975 20 5 FDBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000155456599 525871690 /nfs/dbraw/zinc/87/16/90/525871690.db2.gz VGUGIQHOMYFZMK-AWEZNQCLSA-N 0 3 367.446 1.865 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000131812765 525906474 /nfs/dbraw/zinc/90/64/74/525906474.db2.gz YSDAPCKDFOAIAM-CQSZACIVSA-N 0 3 358.402 1.309 20 5 FDBDHN CN(CCN1CCCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108450598 525972014 /nfs/dbraw/zinc/97/20/14/525972014.db2.gz YRXLEQKDIKLDSX-UHFFFAOYSA-N 0 3 368.821 1.532 20 5 FDBDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000181913650 525979103 /nfs/dbraw/zinc/97/91/03/525979103.db2.gz WYIPFLWBYFIOKC-LLVKDONJSA-N 0 3 353.404 1.050 20 5 FDBDHN CNC(=O)CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181938707 525989693 /nfs/dbraw/zinc/98/96/93/525989693.db2.gz IROUADXMNDTVBT-CQSZACIVSA-N 0 3 351.403 1.183 20 5 FDBDHN COCCN1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109094043 526073003 /nfs/dbraw/zinc/07/30/03/526073003.db2.gz DAZSKOGJGMFSLF-UHFFFAOYSA-N 0 3 374.401 1.016 20 5 FDBDHN Cc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000120891184 526211734 /nfs/dbraw/zinc/21/17/34/526211734.db2.gz QRSKFKVRYOUSQT-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183875004 536059885 /nfs/dbraw/zinc/05/98/85/536059885.db2.gz PIESQPOSGOZAQG-CVEARBPZSA-N 0 3 374.441 1.718 20 5 FDBDHN CCN(CCO)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183932933 536068603 /nfs/dbraw/zinc/06/86/03/536068603.db2.gz WEDBHFDMTJRCRK-UHFFFAOYSA-N 0 3 364.427 1.762 20 5 FDBDHN COc1cc(CN(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000184288659 536127593 /nfs/dbraw/zinc/12/75/93/536127593.db2.gz YIOFPCKTJCFYAO-UHFFFAOYSA-N 0 3 354.426 1.812 20 5 FDBDHN C[C@H](C(=O)NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184794757 536184264 /nfs/dbraw/zinc/18/42/64/536184264.db2.gz NDZYXSXUBWFPKX-ZDUSSCGKSA-N 0 3 352.410 1.591 20 5 FDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000185307301 536205027 /nfs/dbraw/zinc/20/50/27/536205027.db2.gz NWCNWZOBHYULRL-QGZVFWFLSA-N 0 3 357.414 1.818 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185607355 536213510 /nfs/dbraw/zinc/21/35/10/536213510.db2.gz MBEHVQOSQKJDSH-OAHLLOKOSA-N 0 3 363.462 1.463 20 5 FDBDHN CN(C)C1(CN(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000188030281 536280707 /nfs/dbraw/zinc/28/07/07/536280707.db2.gz OQOGDORHOMPPDK-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(C)[C@@]1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCSC1 ZINC000267151076 536961034 /nfs/dbraw/zinc/96/10/34/536961034.db2.gz WTIWHRBGOGARJP-OAHLLOKOSA-N 0 3 357.407 1.666 20 5 FDBDHN COc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000188892393 536965774 /nfs/dbraw/zinc/96/57/74/536965774.db2.gz WJKQJMKYZJKFAA-ZDUSSCGKSA-N 0 3 367.446 1.889 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189114740 536999698 /nfs/dbraw/zinc/99/96/98/536999698.db2.gz JXVOFLKCDPVOHQ-AWEZNQCLSA-N 0 3 370.475 1.040 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000189128456 537002703 /nfs/dbraw/zinc/00/27/03/537002703.db2.gz OBRSUGNIAYUYAU-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000263645710 537050661 /nfs/dbraw/zinc/05/06/61/537050661.db2.gz CEJYWGKRRSUYJT-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189465494 537051434 /nfs/dbraw/zinc/05/14/34/537051434.db2.gz QRMCWNCGRVJHFM-ZDUSSCGKSA-N 0 3 365.430 1.738 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000190016854 537128074 /nfs/dbraw/zinc/12/80/74/537128074.db2.gz NLYLGOONHUXVKR-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000247657243 537143335 /nfs/dbraw/zinc/14/33/35/537143335.db2.gz XHFOVYUALUIEQI-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC[C@H]1C ZINC000248758536 537211323 /nfs/dbraw/zinc/21/13/23/537211323.db2.gz KUDORQLNZJRSNN-KGLIPLIRSA-N 0 3 362.430 1.704 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000191951703 537215639 /nfs/dbraw/zinc/21/56/39/537215639.db2.gz XDMSUOZQROAWGS-UHFFFAOYSA-N 0 3 361.402 1.390 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000191983673 537216762 /nfs/dbraw/zinc/21/67/62/537216762.db2.gz CDYOYNMEBVEUCZ-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1N(C)C ZINC000272360366 537271250 /nfs/dbraw/zinc/27/12/50/537271250.db2.gz SELKZMZSMYQGGN-YPMHNXCESA-N 0 3 353.400 1.441 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363695722 537282645 /nfs/dbraw/zinc/28/26/45/537282645.db2.gz VFCKQOSOGBJNCB-IAGOWNOFSA-N 0 3 362.430 1.766 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272687865 537321280 /nfs/dbraw/zinc/32/12/80/537321280.db2.gz WMYSFTMNAJYPOT-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285968434 537389233 /nfs/dbraw/zinc/38/92/33/537389233.db2.gz NJWUSHILXFKCGB-CQSZACIVSA-N 0 3 358.402 1.840 20 5 FDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000280582779 537432530 /nfs/dbraw/zinc/43/25/30/537432530.db2.gz SYUVTPOBIJVVHZ-RDJZCZTQSA-N 0 3 373.409 1.883 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000276455010 537523650 /nfs/dbraw/zinc/52/36/50/537523650.db2.gz VBUOQMUUEIHELQ-JGGQBBKZSA-N 0 3 352.387 1.466 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294215768 537675500 /nfs/dbraw/zinc/67/55/00/537675500.db2.gz AVCJNNMOICAOAL-UHFFFAOYSA-N 0 3 372.429 1.304 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN(CCCO)C1 ZINC000295571425 537713421 /nfs/dbraw/zinc/71/34/21/537713421.db2.gz VDAJAQPOTQUYLO-AWEZNQCLSA-N 0 3 360.414 1.582 20 5 FDBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411561499 537775612 /nfs/dbraw/zinc/77/56/12/537775612.db2.gz AWSBKPFZUBRVKN-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000377563802 537977395 /nfs/dbraw/zinc/97/73/95/537977395.db2.gz GVJUNIXROJVEBV-LSDHHAIUSA-N 0 3 359.386 1.142 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCCN(CCCO)C2)c1F ZINC000412379917 537978145 /nfs/dbraw/zinc/97/81/45/537978145.db2.gz XFNUTPSMZOPPPP-GFCCVEGCSA-N 0 3 369.393 1.248 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000419241591 538005389 /nfs/dbraw/zinc/00/53/89/538005389.db2.gz CAVGDDBKKLJOMZ-DOMZBBRYSA-N 0 3 362.430 1.714 20 5 FDBDHN COc1ccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369783669 538068752 /nfs/dbraw/zinc/06/87/52/538068752.db2.gz VOZGJDWFMTVXIY-KRWDZBQOSA-N 0 3 358.398 1.950 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424042786 538218949 /nfs/dbraw/zinc/21/89/49/538218949.db2.gz XLCVVPSZOYGBGI-DZGCQCFKSA-N 0 3 361.377 1.582 20 5 FDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440402512 538234177 /nfs/dbraw/zinc/23/41/77/538234177.db2.gz BCKPCWQICMWSSQ-LLVKDONJSA-N 0 3 366.237 1.619 20 5 FDBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427952919 538255122 /nfs/dbraw/zinc/25/51/22/538255122.db2.gz UMPVRQZDOIVINA-JTQLQIEISA-N 0 3 359.404 1.162 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]2N)cn1 ZINC000424229424 538262773 /nfs/dbraw/zinc/26/27/73/538262773.db2.gz XEOACGFJPTUJBM-LSDHHAIUSA-N 0 3 366.381 1.443 20 5 FDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451589897 538281966 /nfs/dbraw/zinc/28/19/66/538281966.db2.gz XBRPJVQGUILJLZ-CABCVRRESA-N 0 3 361.398 1.805 20 5 FDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451591740 538282473 /nfs/dbraw/zinc/28/24/73/538282473.db2.gz OWXAVKDSWKKIJJ-CABCVRRESA-N 0 3 370.427 1.690 20 5 FDBDHN COC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000446929954 538332314 /nfs/dbraw/zinc/33/23/14/538332314.db2.gz SVGHITITRJBEQT-AWEZNQCLSA-N 0 3 371.459 1.668 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451919783 538334565 /nfs/dbraw/zinc/33/45/65/538334565.db2.gz UIPJTPRMMLMYGS-OAHLLOKOSA-N 0 3 362.430 1.390 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000420972202 538368378 /nfs/dbraw/zinc/36/83/78/538368378.db2.gz JUYZTTCYEKBHSM-UHFFFAOYSA-N 0 3 371.459 1.622 20 5 FDBDHN C[C@H]1C[C@@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420973093 538368721 /nfs/dbraw/zinc/36/87/21/538368721.db2.gz LWKYHIAOFMEZNX-KBPBESRZSA-N 0 3 371.459 1.620 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000452350408 538377225 /nfs/dbraw/zinc/37/72/25/538377225.db2.gz OJNMLSXNAXMIGX-HNNXBMFYSA-N 0 3 362.430 1.746 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421306289 538392526 /nfs/dbraw/zinc/39/25/26/538392526.db2.gz VRJWZYIPHAPEBS-NSHDSACASA-N 0 3 354.794 1.739 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000435762934 538407886 /nfs/dbraw/zinc/40/78/86/538407886.db2.gz PKHCOFFDXOGNCC-OAHLLOKOSA-N 0 3 365.430 1.491 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454065565 538503620 /nfs/dbraw/zinc/50/36/20/538503620.db2.gz FSAQFWUKFYLMKB-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560563316 545545010 /nfs/dbraw/zinc/54/50/10/545545010.db2.gz OHMXPQBNDCAHQW-NWDGAFQWSA-N 0 3 368.459 1.258 20 5 FDBDHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CC1 ZINC000560975131 545641338 /nfs/dbraw/zinc/64/13/38/545641338.db2.gz LCWCWPVRIDPQEX-UHFFFAOYSA-N 0 3 372.385 1.268 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000561192145 545736018 /nfs/dbraw/zinc/73/60/18/545736018.db2.gz NDUNWVURUXSVDO-UHFFFAOYSA-N 0 3 363.418 1.048 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000561316341 545800095 /nfs/dbraw/zinc/80/00/95/545800095.db2.gz RWAPPCMXUCBFND-CZUORRHYSA-N 0 3 369.425 2.282 20 5 FDBDHN Cc1nccn1C[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562986805 546341829 /nfs/dbraw/zinc/34/18/29/546341829.db2.gz CEKMUQPIZKHDNO-CYBMUJFWSA-N 0 3 366.443 1.799 20 5 FDBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000563811227 546694275 /nfs/dbraw/zinc/69/42/75/546694275.db2.gz VMXKQAXSUQMYBC-KGYLQXTDSA-N 0 3 352.309 1.626 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000563856617 546710688 /nfs/dbraw/zinc/71/06/88/546710688.db2.gz WGDRHJKRINVVCI-HIFRSBDPSA-N 0 3 350.350 1.795 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000564666424 546996454 /nfs/dbraw/zinc/99/64/54/546996454.db2.gz IKWGHGBZYSAHCD-OAHLLOKOSA-N 0 3 373.331 1.800 20 5 FDBDHN CNc1nccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000566462300 547769601 /nfs/dbraw/zinc/76/96/01/547769601.db2.gz TZEDFIPDDKJVKD-OAHLLOKOSA-N 0 3 373.413 2.073 20 5 FDBDHN CC(C)(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000568382738 548514087 /nfs/dbraw/zinc/51/40/87/548514087.db2.gz JWVPXECQIOIMED-LBPRGKRZSA-N 0 3 360.432 1.137 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000569674066 549004519 /nfs/dbraw/zinc/00/45/19/549004519.db2.gz PYOXKOSFDHSQFH-GFCCVEGCSA-N 0 3 353.444 1.751 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000569706759 549019718 /nfs/dbraw/zinc/01/97/18/549019718.db2.gz PFIDHUGGCXSEDB-OLZOCXBDSA-N 0 3 365.459 1.683 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(O)cc2)cc1 ZINC000569920904 549095039 /nfs/dbraw/zinc/09/50/39/549095039.db2.gz LWJHDSGMSIOLRO-UHFFFAOYSA-N 0 3 350.396 1.906 20 5 FDBDHN CN(CCCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccncc1 ZINC000570478108 549294645 /nfs/dbraw/zinc/29/46/45/549294645.db2.gz BMEVAFUHKSFBMK-UHFFFAOYSA-N 0 3 373.413 1.132 20 5 FDBDHN C[C@@H]1[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570526555 549312081 /nfs/dbraw/zinc/31/20/81/549312081.db2.gz ALHVTYCRORLQBL-IUODEOHRSA-N 0 3 355.398 1.965 20 5 FDBDHN COc1ccc2c(c1)OC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000571040124 549502948 /nfs/dbraw/zinc/50/29/48/549502948.db2.gz UCFAFPHPNSGVOZ-GJZGRUSLSA-N 0 3 374.393 1.936 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000571973212 549814586 /nfs/dbraw/zinc/81/45/86/549814586.db2.gz HVDDMYMXNJCMGO-LBPRGKRZSA-N 0 3 374.397 1.134 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)C1 ZINC000573034483 550048979 /nfs/dbraw/zinc/04/89/79/550048979.db2.gz YBUCKFBAPNAAMA-QGZVFWFLSA-N 0 3 365.455 1.847 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000573816090 550216485 /nfs/dbraw/zinc/21/64/85/550216485.db2.gz ZXDHVCWSAREEJQ-KXBFYZLASA-N 0 3 361.442 1.736 20 5 FDBDHN CN(C[C@H](O)Cn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000574084211 550254710 /nfs/dbraw/zinc/25/47/10/550254710.db2.gz KNDFABYJMNDSCP-NSHDSACASA-N 0 3 352.778 1.413 20 5 FDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574812451 550374608 /nfs/dbraw/zinc/37/46/08/550374608.db2.gz VIHWBZBYDPULCE-WBMJQRKESA-N 0 3 374.445 1.883 20 5 FDBDHN CN(C)CCOc1cc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])ccn1 ZINC000575011876 550408500 /nfs/dbraw/zinc/40/85/00/550408500.db2.gz RKBJSFVVFOSOPJ-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H](O)C(F)(F)F)cc1 ZINC000576346096 550538154 /nfs/dbraw/zinc/53/81/54/550538154.db2.gz CWUGAIHTVXTEPW-LLVKDONJSA-N 0 3 356.322 1.271 20 5 FDBDHN CN(C)C(=O)[C@H]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000578350083 550755017 /nfs/dbraw/zinc/75/50/17/550755017.db2.gz DNRDBFQKFHJSQY-IUODEOHRSA-N 0 3 364.402 1.149 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](N3CCCC3)C2)c1F ZINC000582048834 551168064 /nfs/dbraw/zinc/16/80/64/551168064.db2.gz BBAWPQXGVOZICQ-GFCCVEGCSA-N 0 3 351.378 1.982 20 5 FDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000583564506 551370385 /nfs/dbraw/zinc/37/03/85/551370385.db2.gz TVWASVQAMBYGLV-KRWDZBQOSA-N 0 3 361.423 1.983 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000583579117 551372107 /nfs/dbraw/zinc/37/21/07/551372107.db2.gz XGQYEMCIAFWWFR-WFASDCNBSA-N 0 3 357.432 1.420 20 5 FDBDHN CN(C)[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000584585592 551522518 /nfs/dbraw/zinc/52/25/18/551522518.db2.gz MJRLENKBZRIANH-ZFWWWQNUSA-N 0 3 355.460 1.831 20 5 FDBDHN CN(C)[C@]1(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCSC1 ZINC000587991016 551638262 /nfs/dbraw/zinc/63/82/62/551638262.db2.gz YRBLHLYNXXBCQH-INIZCTEOSA-N 0 3 365.459 1.634 20 5 FDBDHN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000588008987 551640247 /nfs/dbraw/zinc/64/02/47/551640247.db2.gz WWPVSVLCCQLNAQ-GUYCJALGSA-N 0 3 363.462 1.132 20 5 FDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589236815 551719506 /nfs/dbraw/zinc/71/95/06/551719506.db2.gz IMAQHTKFCYLIQP-NSHDSACASA-N 0 3 373.431 1.373 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000589503910 551734080 /nfs/dbraw/zinc/73/40/80/551734080.db2.gz ZGBQOJHJIZNNND-AWEZNQCLSA-N 0 3 363.414 1.536 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000590165383 551763386 /nfs/dbraw/zinc/76/33/86/551763386.db2.gz NVMOPUJDBWWNHS-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590338195 551774904 /nfs/dbraw/zinc/77/49/04/551774904.db2.gz WUFHIVAJPUOKFM-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000590445111 551785023 /nfs/dbraw/zinc/78/50/23/551785023.db2.gz NOGRPZBVJJHTQG-FZMZJTMJSA-N 0 3 351.428 1.455 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000591012312 551835205 /nfs/dbraw/zinc/83/52/05/551835205.db2.gz PAIDZFBBVXLRCJ-CQSZACIVSA-N 0 3 360.414 1.847 20 5 FDBDHN NC(=O)Cc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591767627 551907244 /nfs/dbraw/zinc/90/72/44/551907244.db2.gz DSUAHUWBQMSYEF-INIZCTEOSA-N 0 3 359.382 1.152 20 5 FDBDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000591966019 551921110 /nfs/dbraw/zinc/92/11/10/551921110.db2.gz IPIFNOCGSNTYMT-OLZOCXBDSA-N 0 3 363.418 1.417 20 5 FDBDHN CCO[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592172184 551953373 /nfs/dbraw/zinc/95/33/73/551953373.db2.gz AYKOBIXSIAZESU-OJDYBEQGSA-N 0 3 356.444 1.833 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592489908 552001257 /nfs/dbraw/zinc/00/12/57/552001257.db2.gz WLXUAKWIGXPQTL-HNNXBMFYSA-N 0 3 364.402 1.069 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592490513 552001401 /nfs/dbraw/zinc/00/14/01/552001401.db2.gz YPAITPIGSOPRPZ-HNNXBMFYSA-N 0 3 364.402 1.069 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592878922 552038196 /nfs/dbraw/zinc/03/81/96/552038196.db2.gz IMSDBJVCEGTFDN-LLVKDONJSA-N 0 3 360.370 1.533 20 5 FDBDHN CCOc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592880945 552038731 /nfs/dbraw/zinc/03/87/31/552038731.db2.gz QDIKMBLPEVWTJO-GFCCVEGCSA-N 0 3 364.402 1.186 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)CCNc1ccccc1[N+](=O)[O-])CCO2 ZINC000592898890 552040755 /nfs/dbraw/zinc/04/07/55/552040755.db2.gz MSUOMTPAYNAWJD-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593465823 552113154 /nfs/dbraw/zinc/11/31/54/552113154.db2.gz UNULHYQIDDRUDD-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593495761 552117311 /nfs/dbraw/zinc/11/73/11/552117311.db2.gz IGEJTTVAEMUNFH-JKSUJKDBSA-N 0 3 357.414 1.808 20 5 FDBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593530238 552124314 /nfs/dbraw/zinc/12/43/14/552124314.db2.gz IAWLIIBLOZAOBL-BETUJISGSA-N 0 3 356.448 1.636 20 5 FDBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593530238 552124317 /nfs/dbraw/zinc/12/43/17/552124317.db2.gz IAWLIIBLOZAOBL-BETUJISGSA-N 0 3 356.448 1.636 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594327938 552289355 /nfs/dbraw/zinc/28/93/55/552289355.db2.gz YDARANCFCGVEAH-GDBMZVCRSA-N 0 3 360.414 1.975 20 5 FDBDHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000594450608 552313241 /nfs/dbraw/zinc/31/32/41/552313241.db2.gz HHYJKBZAUPEEMA-MRVPVSSYSA-N 0 3 356.098 1.977 20 5 FDBDHN Cc1ccc(NCCCNC(=O)N[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594524336 552327421 /nfs/dbraw/zinc/32/74/21/552327421.db2.gz IDVRZCKPDLFODP-GFCCVEGCSA-N 0 3 363.340 1.894 20 5 FDBDHN C[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000594775917 552380363 /nfs/dbraw/zinc/38/03/63/552380363.db2.gz LLJSDGITJPHYIV-LLVKDONJSA-N 0 3 352.416 1.619 20 5 FDBDHN COc1cc(CNC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000594994857 552434539 /nfs/dbraw/zinc/43/45/39/552434539.db2.gz WSSDEQDPJRUTMV-HNNXBMFYSA-N 0 3 365.430 1.955 20 5 FDBDHN CCOC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595020156 552438491 /nfs/dbraw/zinc/43/84/91/552438491.db2.gz UWUAMVGOQHMKFY-UHFFFAOYSA-N 0 3 371.459 1.810 20 5 FDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595122076 552458084 /nfs/dbraw/zinc/45/80/84/552458084.db2.gz QDYAUEQKLAJMIE-SSDOTTSWSA-N 0 3 352.210 1.244 20 5 FDBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(CC)C1 ZINC000595131542 552461757 /nfs/dbraw/zinc/46/17/57/552461757.db2.gz NJMBCSASPJZXCO-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747483 552610716 /nfs/dbraw/zinc/61/07/16/552610716.db2.gz KBPKHZAKNHKPJP-FUHWJXTLSA-N 0 3 357.410 1.855 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595898016 552630105 /nfs/dbraw/zinc/63/01/05/552630105.db2.gz LAZPKAZEIVABPZ-CJQITXGSSA-N 0 3 373.409 1.877 20 5 FDBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1 ZINC000596068963 552652172 /nfs/dbraw/zinc/65/21/72/552652172.db2.gz BXCPCJZWDNEWPP-AWEZNQCLSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCOC4(CNC4)C3)cc2[N+](=O)[O-])C1 ZINC000596097370 552654727 /nfs/dbraw/zinc/65/47/27/552654727.db2.gz IRDJOSANSJEFQX-AWEZNQCLSA-N 0 3 374.441 1.646 20 5 FDBDHN C[C@@H]1CN(CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCCO1 ZINC000596208308 552664843 /nfs/dbraw/zinc/66/48/43/552664843.db2.gz JTKVILWFRMKHIB-GFCCVEGCSA-N 0 3 372.447 1.155 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000597248397 552765180 /nfs/dbraw/zinc/76/51/80/552765180.db2.gz TVPJFKKQJBWTKR-QWHCGFSZSA-N 0 3 366.370 1.578 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597696669 552823248 /nfs/dbraw/zinc/82/32/48/552823248.db2.gz WUBXSSJRDONFNA-GXTWGEPZSA-N 0 3 363.370 1.259 20 5 FDBDHN CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597946006 552848918 /nfs/dbraw/zinc/84/89/18/552848918.db2.gz MNPWLVRLBRJWBX-LLVKDONJSA-N 0 3 368.821 1.531 20 5 FDBDHN Cn1c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000597991813 552853603 /nfs/dbraw/zinc/85/36/03/552853603.db2.gz SFURTOJPZNMOKY-HNNXBMFYSA-N 0 3 358.398 1.430 20 5 FDBDHN Cn1c(C(=O)NCC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000598061417 552862119 /nfs/dbraw/zinc/86/21/19/552862119.db2.gz DHPWCFANSGRXIJ-UHFFFAOYSA-N 0 3 357.414 1.970 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000598576986 552910736 /nfs/dbraw/zinc/91/07/36/552910736.db2.gz ZCSIHLSRFIUKEJ-LBPRGKRZSA-N 0 3 368.821 1.434 20 5 FDBDHN COC(=O)c1ccnc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000598620752 552916821 /nfs/dbraw/zinc/91/68/21/552916821.db2.gz ZWAXTUISZXWQGB-STQMWFEESA-N 0 3 366.443 1.792 20 5 FDBDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598972623 552953034 /nfs/dbraw/zinc/95/30/34/552953034.db2.gz VAPWQMQIUHHZND-ZDUSSCGKSA-N 0 3 355.460 1.831 20 5 FDBDHN CN1C2(CCC2)COC[C@]1(CO)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990331 552954703 /nfs/dbraw/zinc/95/47/03/552954703.db2.gz KZAFMGGDYLUAGA-BQHGXPCASA-N 0 3 361.442 1.813 20 5 FDBDHN COc1ccc(CNC[C@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991060 552954731 /nfs/dbraw/zinc/95/47/31/552954731.db2.gz TZSJUJYNXUCMHI-SFHVURJKSA-N 0 3 365.430 1.309 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000599570941 553092196 /nfs/dbraw/zinc/09/21/96/553092196.db2.gz YDJILPGQNZNOKH-KRWDZBQOSA-N 0 3 365.386 1.496 20 5 FDBDHN CNS(=O)(=O)C[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599692588 553123067 /nfs/dbraw/zinc/12/30/67/553123067.db2.gz KJXKFRPXQGGGOV-AWEZNQCLSA-N 0 3 371.459 1.625 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCN2C2CCCC2)cc1 ZINC000600755292 553311717 /nfs/dbraw/zinc/31/17/17/553311717.db2.gz JDBVZZSRLSSSNJ-MRXNPFEDSA-N 0 3 367.471 1.975 20 5 FDBDHN CN1CCC(N2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601157614 553353940 /nfs/dbraw/zinc/35/39/40/553353940.db2.gz BMZIWBUAUGGSCN-LBPRGKRZSA-N 0 3 350.394 1.632 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000602770372 553634374 /nfs/dbraw/zinc/63/43/74/553634374.db2.gz RDDQUOWMVPOUTG-CYBMUJFWSA-N 0 3 351.451 1.972 20 5 FDBDHN COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000602863839 553654760 /nfs/dbraw/zinc/65/47/60/553654760.db2.gz HXMZLQZDULIDNH-JKSUJKDBSA-N 0 3 358.398 1.988 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000603052085 553701918 /nfs/dbraw/zinc/70/19/18/553701918.db2.gz GWUCJRGQMXHULI-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccccc1 ZINC000603929189 553831143 /nfs/dbraw/zinc/83/11/43/553831143.db2.gz XNTWFEPBPBJSEJ-HNNXBMFYSA-N 0 3 364.427 1.957 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000604387663 553871331 /nfs/dbraw/zinc/87/13/31/553871331.db2.gz JCRCCXNSWJXLQO-UHFFFAOYSA-N 0 3 374.401 1.180 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000604472134 553879836 /nfs/dbraw/zinc/87/98/36/553879836.db2.gz AUAFWCIYNYFLCF-OAHLLOKOSA-N 0 3 358.402 1.215 20 5 FDBDHN COC(=O)c1cc(C(=O)Nc2cnn(CCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000604511337 553882852 /nfs/dbraw/zinc/88/28/52/553882852.db2.gz YCBOECDIAYOUHW-UHFFFAOYSA-N 0 3 361.358 1.392 20 5 FDBDHN Cc1[nH]nc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000604546065 553887335 /nfs/dbraw/zinc/88/73/35/553887335.db2.gz OLEWHAPXOPBQOH-UHFFFAOYSA-N 0 3 360.374 1.170 20 5 FDBDHN CNc1ccc(C(=O)NC2CCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000608891533 554327674 /nfs/dbraw/zinc/32/76/74/554327674.db2.gz QIHZYCKOJSINHH-UHFFFAOYSA-N 0 3 350.419 1.867 20 5 FDBDHN CNc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000609187987 554347218 /nfs/dbraw/zinc/34/72/18/554347218.db2.gz XWUFCNXBLCAQSY-CQSZACIVSA-N 0 3 350.419 1.819 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000609190543 554347691 /nfs/dbraw/zinc/34/76/91/554347691.db2.gz FJRWSAIVPLQSSI-UHFFFAOYSA-N 0 3 363.414 1.978 20 5 FDBDHN CC1(C)CN(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000609223628 554350952 /nfs/dbraw/zinc/35/09/52/554350952.db2.gz QVQYXRIWIUHVCK-UHFFFAOYSA-N 0 3 351.403 1.566 20 5 FDBDHN CCN1CCC(N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609447444 554377642 /nfs/dbraw/zinc/37/76/42/554377642.db2.gz MBXCJJMSDPTAMK-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000609515257 554386513 /nfs/dbraw/zinc/38/65/13/554386513.db2.gz UMGDLRPDLHFWMI-GHMZBOCLSA-N 0 3 354.432 1.327 20 5 FDBDHN COc1ccc(CC(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000609564950 554394011 /nfs/dbraw/zinc/39/40/11/554394011.db2.gz VXZDIPNRKXEXIP-UHFFFAOYSA-N 0 3 365.430 1.715 20 5 FDBDHN C[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609574797 554395993 /nfs/dbraw/zinc/39/59/93/554395993.db2.gz YOPJPSQFOXTAFH-XJKSGUPXSA-N 0 3 370.413 1.970 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(CC)CC1 ZINC000609840711 554427806 /nfs/dbraw/zinc/42/78/06/554427806.db2.gz QJTQLDXTCDAGNM-ZDUSSCGKSA-N 0 3 352.439 1.428 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432911 554505438 /nfs/dbraw/zinc/50/54/38/554505438.db2.gz IEDYUJANKXICJK-IRXDYDNUSA-N 0 3 356.386 1.380 20 5 FDBDHN CC[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610810704 554565203 /nfs/dbraw/zinc/56/52/03/554565203.db2.gz XGYIBXMAVUEMKC-INIZCTEOSA-N 0 3 370.475 1.213 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000610896873 554577194 /nfs/dbraw/zinc/57/71/94/554577194.db2.gz WTKRIZPOHVSENW-OAHLLOKOSA-N 0 3 353.444 1.541 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCNC(=O)N(C)C ZINC000611285144 554622622 /nfs/dbraw/zinc/62/26/22/554622622.db2.gz CHUGEYIUFLOFAS-UHFFFAOYSA-N 0 3 351.407 1.435 20 5 FDBDHN CS(=O)(=O)CCCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614110443 555011791 /nfs/dbraw/zinc/01/17/91/555011791.db2.gz ZFCOLPASKRNMQL-UHFFFAOYSA-N 0 3 358.416 1.671 20 5 FDBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920686 555136754 /nfs/dbraw/zinc/13/67/54/555136754.db2.gz NRKKTQSWAAJYIS-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000617016982 555373886 /nfs/dbraw/zinc/37/38/86/555373886.db2.gz LRUPSNWJURLFOI-GFCCVEGCSA-N 0 3 350.375 1.906 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)n1 ZINC000617381162 555429582 /nfs/dbraw/zinc/42/95/82/555429582.db2.gz MLQDCHGEZJPIQR-GFCCVEGCSA-N 0 3 359.386 1.781 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618285158 555604267 /nfs/dbraw/zinc/60/42/67/555604267.db2.gz HCCHLUJRSFRYIZ-INIZCTEOSA-N 0 3 372.429 1.210 20 5 FDBDHN CS[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000290984011 567916129 /nfs/dbraw/zinc/91/61/29/567916129.db2.gz SDJTXPYTGRWBLB-VXGBXAGGSA-N 0 3 351.432 1.105 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000481870237 568164818 /nfs/dbraw/zinc/16/48/18/568164818.db2.gz SNMJDNJBBYCSPI-UHFFFAOYSA-N 0 3 351.407 1.093 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371923 599441312 /nfs/dbraw/zinc/44/13/12/599441312.db2.gz YXENICSBUOBKTO-LBPRGKRZSA-N 0 3 373.417 1.688 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371923 599441315 /nfs/dbraw/zinc/44/13/15/599441315.db2.gz YXENICSBUOBKTO-LBPRGKRZSA-N 0 3 373.417 1.688 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092799 607467420 /nfs/dbraw/zinc/46/74/20/607467420.db2.gz POIQQLFONXFXRB-LBPRGKRZSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092799 607467422 /nfs/dbraw/zinc/46/74/22/607467422.db2.gz POIQQLFONXFXRB-LBPRGKRZSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092799 607467424 /nfs/dbraw/zinc/46/74/24/607467424.db2.gz POIQQLFONXFXRB-LBPRGKRZSA-N 0 3 360.422 1.950 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092799 607467425 /nfs/dbraw/zinc/46/74/25/607467425.db2.gz POIQQLFONXFXRB-LBPRGKRZSA-N 0 3 360.422 1.950 20 5 FDBDHN C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCSC1 ZINC000821581338 606241333 /nfs/dbraw/zinc/24/13/33/606241333.db2.gz IVLFNZYPQKGSDI-CYBMUJFWSA-N 0 3 350.408 1.019 20 5 FDBDHN C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCSC1 ZINC000821581338 606241335 /nfs/dbraw/zinc/24/13/35/606241335.db2.gz IVLFNZYPQKGSDI-CYBMUJFWSA-N 0 3 350.408 1.019 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000275630416 674627111 /nfs/dbraw/zinc/62/71/11/674627111.db2.gz QDNUXMPJQXFQLQ-NWDGAFQWSA-N 0 3 350.375 1.176 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000276094423 674701822 /nfs/dbraw/zinc/70/18/22/674701822.db2.gz NBERKZDZLQVLKS-SNVBAGLBSA-N 0 3 366.805 1.953 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069503126 671383766 /nfs/dbraw/zinc/38/37/66/671383766.db2.gz NTFHTLBORWSYNZ-GFCCVEGCSA-N 0 3 355.366 1.340 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N3CCCC3)C2)n1 ZINC000286767841 675905418 /nfs/dbraw/zinc/90/54/18/675905418.db2.gz HZJUPFZSRGDVRM-KBPBESRZSA-N 0 3 366.443 1.792 20 5 FDBDHN CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000129717428 671787952 /nfs/dbraw/zinc/78/79/52/671787952.db2.gz WMOQXLMJOGHNQB-GFCCVEGCSA-N 0 3 360.336 2.000 20 5 FDBDHN Cc1cc(F)cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176821222 672117568 /nfs/dbraw/zinc/11/75/68/672117568.db2.gz RNMKKRRXMXOZPH-LBPRGKRZSA-N 0 3 352.410 1.656 20 5 FDBDHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262039854 672716703 /nfs/dbraw/zinc/71/67/03/672716703.db2.gz HOJIBNIVGDDXHX-AWEZNQCLSA-N 0 3 356.810 1.306 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290443357 676205566 /nfs/dbraw/zinc/20/55/66/676205566.db2.gz IWYMJQXZVFBPMJ-QMMMGPOBSA-N 0 3 373.207 1.362 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000278901797 675215909 /nfs/dbraw/zinc/21/59/09/675215909.db2.gz YRTIWEDNKYHNPY-LLVKDONJSA-N 0 3 351.432 1.994 20 5 FDBDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290653022 676221203 /nfs/dbraw/zinc/22/12/03/676221203.db2.gz BXCQBKKOMMBLCB-UHFFFAOYSA-N 0 3 373.207 1.316 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292677536 676304521 /nfs/dbraw/zinc/30/45/21/676304521.db2.gz BOPPNBMDTSTYMK-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292875922 676324069 /nfs/dbraw/zinc/32/40/69/676324069.db2.gz SXNVLVJIZLNHIH-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000299097415 676516553 /nfs/dbraw/zinc/51/65/53/676516553.db2.gz ZJNCJTHRYXIZIO-UHFFFAOYSA-N 0 3 355.416 1.661 20 5 FDBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000364929757 677065247 /nfs/dbraw/zinc/06/52/47/677065247.db2.gz CDIYHTUNZSMOQB-UHFFFAOYSA-N 0 3 366.805 1.285 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376348058 678282341 /nfs/dbraw/zinc/28/23/41/678282341.db2.gz FVPMTRAVDWTKEC-TZMCWYRMSA-N 0 3 369.443 1.851 20 5 FDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416377522 679593577 /nfs/dbraw/zinc/59/35/77/679593577.db2.gz XPXLTKYVLLPOCS-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000473909641 685342240 /nfs/dbraw/zinc/34/22/40/685342240.db2.gz CRGIYQSHGGRESK-ZDUSSCGKSA-N 0 3 373.479 1.600 20 5 FDBDHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)F ZINC000420460611 680463532 /nfs/dbraw/zinc/46/35/32/680463532.db2.gz LFRUXJGQWFNONV-VIFPVBQESA-N 0 3 360.342 1.404 20 5 FDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440088973 681969005 /nfs/dbraw/zinc/96/90/05/681969005.db2.gz PYMFUXVXSVVYNR-LLVKDONJSA-N 0 3 373.431 1.375 20 5 FDBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449420726 682681019 /nfs/dbraw/zinc/68/10/19/682681019.db2.gz KDZIONBWPKHLRI-KGLIPLIRSA-N 0 3 352.387 1.739 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CCCN2CCCO)cc([N+](=O)[O-])c1C ZINC000452374253 683062760 /nfs/dbraw/zinc/06/27/60/683062760.db2.gz WUPVFDYCHUNBTQ-CQSZACIVSA-N 0 3 351.403 1.488 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000475700480 685628594 /nfs/dbraw/zinc/62/85/94/685628594.db2.gz JMXSWYIORHQRTK-GXTWGEPZSA-N 0 3 352.387 1.882 20 5 FDBDHN O=C(CC(F)(F)F)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000511073542 689459384 /nfs/dbraw/zinc/45/93/84/689459384.db2.gz LKRPAKUACVEAPI-NSHDSACASA-N 0 3 363.340 1.572 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000517868277 690098499 /nfs/dbraw/zinc/09/84/99/690098499.db2.gz HXCDKBBPYHOHTE-MRXNPFEDSA-N 0 3 351.403 1.543 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164686208 719701580 /nfs/dbraw/zinc/70/15/80/719701580.db2.gz YAKAUPFSNPHXOT-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN Nc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164867210 721105798 /nfs/dbraw/zinc/10/57/98/721105798.db2.gz WXXMBSLXHGXKFW-GJZGRUSLSA-N 0 3 370.413 1.447 20 5 FDBDHN COc1cc(CNC[C@@H](O)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276790933 779590482 /nfs/dbraw/zinc/59/04/82/779590482.db2.gz RBQHRQQORFIMKO-MRXNPFEDSA-N 0 3 362.382 1.625 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000277356052 781564686 /nfs/dbraw/zinc/56/46/86/781564686.db2.gz AGFJKWBVWSKTLW-OAHLLOKOSA-N 0 3 373.413 1.349 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1cccc([N+](=O)[O-])c1 ZINC000892112409 781574273 /nfs/dbraw/zinc/57/42/73/781574273.db2.gz RMRUTOSEHOJQKK-XKQJLSEDSA-N 0 3 362.430 1.896 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOC2(CCOCC2)CC1 ZINC000377275951 791444448 /nfs/dbraw/zinc/44/44/48/791444448.db2.gz BWNNZCBPPHLBJJ-OAHLLOKOSA-N 0 3 366.414 1.606 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1 ZINC000412320723 793458269 /nfs/dbraw/zinc/45/82/69/793458269.db2.gz LULVFNINVIANCA-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432535415 809003710 /nfs/dbraw/zinc/00/37/10/809003710.db2.gz QGUQBWGIHDMUNJ-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN COc1c(O)ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893860224 809772674 /nfs/dbraw/zinc/77/26/74/809772674.db2.gz RNEFKXZTXUSYEX-GFCCVEGCSA-N 0 3 353.419 1.586 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425044160 815506763 /nfs/dbraw/zinc/50/67/63/815506763.db2.gz HFJZVGNIDLHRPJ-XJKSGUPXSA-N 0 3 356.386 1.342 20 5 FDBDHN COC(=O)c1cc(N2CCN(C)C[C@H](C(=O)OC)C2)cc(C)c1[N+](=O)[O-] ZINC000413503363 813900538 /nfs/dbraw/zinc/90/05/38/813900538.db2.gz RWZNBDSLORJLKO-LBPRGKRZSA-N 0 3 365.386 1.231 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425501585 816390753 /nfs/dbraw/zinc/39/07/53/816390753.db2.gz OQHICSZCVSDHDN-CQSZACIVSA-N 0 3 374.401 1.861 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000515870467 816490716 /nfs/dbraw/zinc/49/07/16/816490716.db2.gz ZFILVDLKRVKSDN-ZIAGYGMSSA-N 0 3 371.372 1.544 20 5 FDBDHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000509562814 817747508 /nfs/dbraw/zinc/74/75/08/817747508.db2.gz ACVDYUPNQQTGSE-GFCCVEGCSA-N 0 3 372.385 1.268 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426844042 818568075 /nfs/dbraw/zinc/56/80/75/818568075.db2.gz VWUPRVMRBNWZLR-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000443447400 821556791 /nfs/dbraw/zinc/55/67/91/821556791.db2.gz WICDAPZQLAXFHN-CQSZACIVSA-N 0 3 374.445 2.330 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000474794528 824438322 /nfs/dbraw/zinc/43/83/22/824438322.db2.gz DYOHSKSVDZNDKK-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840672946 825410776 /nfs/dbraw/zinc/41/07/76/825410776.db2.gz PLGZFYPVBFCHLC-FVQBIDKESA-N 0 3 361.398 1.100 20 5 FDBDHN CN1CCN(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281800234 826240432 /nfs/dbraw/zinc/24/04/32/826240432.db2.gz KMNCFJIVOPNHDQ-UHFFFAOYSA-N 0 3 363.462 1.463 20 5 FDBDHN CCc1nc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000985432507 827815410 /nfs/dbraw/zinc/81/54/10/827815410.db2.gz GCNAZEQIWPGBQI-ZIAGYGMSSA-N 0 3 352.460 1.794 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000523591969 828232109 /nfs/dbraw/zinc/23/21/09/828232109.db2.gz JXPBSSZSIFGQIF-UHFFFAOYSA-N 0 3 365.434 1.753 20 5 FDBDHN COc1cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000451915279 830468526 /nfs/dbraw/zinc/46/85/26/830468526.db2.gz HJBNMNNXAXHOQS-HNNXBMFYSA-N 0 3 362.430 1.390 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843797428 840953911 /nfs/dbraw/zinc/95/39/11/840953911.db2.gz VAVLEHXCJYRJAE-GFCCVEGCSA-N 0 3 352.410 1.798 20 5 FDBDHN Cc1ccc(-c2nc(CNCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cs2)o1 ZINC001126948859 849054361 /nfs/dbraw/zinc/05/43/61/849054361.db2.gz JPCMEDJJAIIYLZ-VXGBXAGGSA-N 0 3 350.400 1.583 20 5 FDBDHN CNc1nc(C(=O)N(CCCOC)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456063472 866656628 /nfs/dbraw/zinc/65/66/28/866656628.db2.gz LRDLRGGXFOPCJR-UHFFFAOYSA-N 0 3 365.434 1.604 20 5 FDBDHN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CN2CCC1CC2 ZINC000465139662 869136446 /nfs/dbraw/zinc/13/64/46/869136446.db2.gz ZIHBWVDNBIGXOA-HNNXBMFYSA-N 0 3 361.398 1.461 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC000916967235 882735862 /nfs/dbraw/zinc/73/58/62/882735862.db2.gz RFTWYWSMDCDNLC-BBWFWOEESA-N 0 3 350.346 1.451 20 5 FDBDHN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428963771 879131326 /nfs/dbraw/zinc/13/13/26/879131326.db2.gz NIQCJVCHLVJPNO-SFHVURJKSA-N 0 3 358.398 1.632 20 5 FDBDHN CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428963771 879131340 /nfs/dbraw/zinc/13/13/40/879131340.db2.gz NIQCJVCHLVJPNO-SFHVURJKSA-N 0 3 358.398 1.632 20 5 FDBDHN O=C(NCC1CN(CCOc2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660731 886934776 /nfs/dbraw/zinc/93/47/76/886934776.db2.gz QFKYGTSWSBZAKI-HUUCEWRRSA-N 0 3 353.806 1.432 20 5 FDBDHN CCCCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079157622 902076362 /nfs/dbraw/zinc/07/63/62/902076362.db2.gz VIHFIDQXSMEHHM-HZPDHXFCSA-N 0 3 368.478 1.273 20 5 FDBDHN NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273009770 910879561 /nfs/dbraw/zinc/87/95/61/910879561.db2.gz OLKYMIGHJZMJHC-CYBMUJFWSA-N 0 3 371.319 1.496 20 5 FDBDHN O=C(NC[C@H]1C[C@@H](NCc2nc(-c3ccccc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084103 925919966 /nfs/dbraw/zinc/91/99/66/925919966.db2.gz CUKLRZOHQHJXIH-FAAHXZRKSA-N 0 3 371.397 1.386 20 5 FDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1CCN([C@H]2CCOC2)CC1 ZINC000771038647 930399487 /nfs/dbraw/zinc/39/94/87/930399487.db2.gz ASCQOUYJQZKCKR-INIZCTEOSA-N 0 3 373.413 1.314 20 5 FDBDHN Cn1c2cc(NC[C@H]3CN4CCC[C@@H]4CO3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804397441 938422916 /nfs/dbraw/zinc/42/29/16/938422916.db2.gz XZVNCVPGIYAKIA-NEPJUHHUSA-N 0 3 361.402 1.060 20 5 FDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000807270927 940289464 /nfs/dbraw/zinc/28/94/64/940289464.db2.gz CYNJSDZENHTKDG-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN COC(=O)COc1c(C)cc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571188 940743884 /nfs/dbraw/zinc/74/38/84/940743884.db2.gz FDXLSEHENHCKLQ-FZMZJTMJSA-N 0 3 353.375 1.244 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000819825879 943749558 /nfs/dbraw/zinc/74/95/58/943749558.db2.gz YSWHEJUYBOJHDS-CVEARBPZSA-N 0 3 374.441 1.476 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819843493 943752767 /nfs/dbraw/zinc/75/27/67/943752767.db2.gz NKZCZIYODMNXAV-CQSZACIVSA-N 0 3 362.430 1.382 20 5 FDBDHN CN1CCN(CC2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000820496436 944072135 /nfs/dbraw/zinc/07/21/35/944072135.db2.gz YQFUHVJMHPMIPW-ZWKOTPCHSA-N 0 3 358.442 1.404 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820494831 944072486 /nfs/dbraw/zinc/07/24/86/944072486.db2.gz LFGNONXYSVGSOP-UHFFFAOYSA-N 0 3 364.471 1.636 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000821019355 944300809 /nfs/dbraw/zinc/30/08/09/944300809.db2.gz LEPXDJHNXONAKL-MRXNPFEDSA-N 0 3 374.441 1.590 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000823561101 945848265 /nfs/dbraw/zinc/84/82/65/945848265.db2.gz HZTKELWNBOFEMW-LBPRGKRZSA-N 0 3 366.393 1.245 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825223767 947060872 /nfs/dbraw/zinc/06/08/72/947060872.db2.gz ODCNWCJZUIDEKA-HZPDHXFCSA-N 0 3 362.430 1.177 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1=O ZINC000844657783 948269288 /nfs/dbraw/zinc/26/92/88/948269288.db2.gz SZXXJAILAJAXSR-UHFFFAOYSA-N 0 3 369.809 1.486 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000844759263 948367613 /nfs/dbraw/zinc/36/76/13/948367613.db2.gz IUOSMQCGQWKGCC-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1Cl ZINC000844762318 948370668 /nfs/dbraw/zinc/37/06/68/948370668.db2.gz AKCPONWRMDOBCF-UHFFFAOYSA-N 0 3 368.821 1.403 20 5 FDBDHN CC([C@@H](OC(=O)CN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878764 950051875 /nfs/dbraw/zinc/05/18/75/950051875.db2.gz VVNXDKULOYIBBG-QMTHXVAHSA-N 0 3 360.363 1.111 20 5 FDBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC001197844567 972469114 /nfs/dbraw/zinc/46/91/14/972469114.db2.gz JCCOKKODCCYOLB-CJNGLKHVSA-N 0 3 372.443 1.400 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCO[C@H](CN(C)C)C2)c1F ZINC001173182782 961954868 /nfs/dbraw/zinc/95/48/68/961954868.db2.gz UGNDORLJRJYLTM-CHWSQXEVSA-N 0 3 355.410 1.936 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@]3(CCNC3=O)C2)c1F ZINC001173181998 961955360 /nfs/dbraw/zinc/95/53/60/961955360.db2.gz REYUDGHTSZHMOA-APPDUMDISA-N 0 3 351.378 1.886 20 5 FDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001173231763 961971263 /nfs/dbraw/zinc/97/12/63/961971263.db2.gz CXDNFHBSZNMCEV-CYBMUJFWSA-N 0 3 355.460 1.882 20 5 FDBDHN Cc1nc(CN2CCC3(CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)co1 ZINC000957547533 1013436803 /nfs/dbraw/zinc/43/68/03/1013436803.db2.gz HSYACEGEUIWRSR-HZPDHXFCSA-N 0 3 362.430 1.853 20 5 FDBDHN CN1C[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C(C)(C)C1 ZINC001178709509 964390583 /nfs/dbraw/zinc/39/05/83/964390583.db2.gz OGUGDXGFVPOKFH-INIZCTEOSA-N 0 3 357.414 1.910 20 5 FDBDHN O=C(CCN1CCC2=C(CCC(=O)N2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852297229 967196032 /nfs/dbraw/zinc/19/60/32/967196032.db2.gz HNXVRPCEGINKTK-UHFFFAOYSA-N 0 3 362.361 1.932 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])cc1C ZINC000853456922 968024151 /nfs/dbraw/zinc/02/41/51/968024151.db2.gz UZEVFFMEFVQZAZ-CQSZACIVSA-N 0 3 362.430 1.830 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCCN2CCCO)c1F ZINC000854689481 969082394 /nfs/dbraw/zinc/08/23/94/969082394.db2.gz FAGLFTRCWGILCR-LLVKDONJSA-N 0 3 357.357 1.758 20 5 FDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000866296701 975539448 /nfs/dbraw/zinc/53/94/48/975539448.db2.gz DMROTMAMLJHBNQ-XHDPSFHLSA-N 0 3 361.377 1.794 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000849328301 977429792 /nfs/dbraw/zinc/42/97/92/977429792.db2.gz CTEZZCIVTARKLV-OAHLLOKOSA-N 0 3 356.444 1.965 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849506091 977700561 /nfs/dbraw/zinc/70/05/61/977700561.db2.gz LGKVIWZGZCTZIE-QZTJIDSGSA-N 0 3 371.441 1.723 20 5 FDBDHN Cc1c(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000849581922 977784700 /nfs/dbraw/zinc/78/47/00/977784700.db2.gz JKZNVRIUVGRVBD-SJORKVTESA-N 0 3 371.441 1.988 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000849591023 977797520 /nfs/dbraw/zinc/79/75/20/977797520.db2.gz BMBDJGNJHSZFMN-UONOGXRCSA-N 0 3 358.402 1.585 20 5 FDBDHN CC([C@@H](OC(=O)CN1CCN(C2CC2)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000851108598 978786613 /nfs/dbraw/zinc/78/66/13/978786613.db2.gz OQIFSYSWNQENMI-MEDUHNTESA-N 0 3 365.361 1.975 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)c(F)cc1[N+](=O)[O-] ZINC000883479091 982199189 /nfs/dbraw/zinc/19/91/89/982199189.db2.gz MGHATOVXLXMPNN-UHFFFAOYSA-N 0 3 357.407 1.949 20 5 FDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000861344230 983695340 /nfs/dbraw/zinc/69/53/40/983695340.db2.gz NKGABEPFIJXKCL-WMLDXEAASA-N 0 3 362.386 1.597 20 5 FDBDHN Cc1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000868784046 984601691 /nfs/dbraw/zinc/60/16/91/984601691.db2.gz SNDBKSCBDAUWKR-INIZCTEOSA-N 0 3 362.430 1.956 20 5 FDBDHN CC(C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1I ZINC000870378812 985953170 /nfs/dbraw/zinc/95/31/70/985953170.db2.gz XSYQNSYLSVRXQI-SSDOTTSWSA-N 0 3 367.143 1.891 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000872222422 987524086 /nfs/dbraw/zinc/52/40/86/987524086.db2.gz UROAAGJWJVXIBN-GRIRQICOSA-N 0 3 352.412 1.382 20 5 FDBDHN COc1cnccc1N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796576956 1015328670 /nfs/dbraw/zinc/32/86/70/1015328670.db2.gz XJIRCXXADSQYDC-KRWDZBQOSA-N 0 3 358.398 1.854 20 5 FDBDHN CN(CC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366193809 988527715 /nfs/dbraw/zinc/52/77/15/988527715.db2.gz WJHBCNYRKKDHSO-HNNXBMFYSA-N 0 3 362.430 1.401 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOC3(CCOCC3)CC2)c1 ZINC000364237641 989521339 /nfs/dbraw/zinc/52/13/39/989521339.db2.gz BXSUUZRJCQDWQC-MRXNPFEDSA-N 0 3 366.414 1.606 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000370373184 989696580 /nfs/dbraw/zinc/69/65/80/989696580.db2.gz HZGUCMFYPFXYQX-CYBMUJFWSA-N 0 3 363.370 1.307 20 5 FDBDHN Cc1nnc(C2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)[nH]1 ZINC000370377763 989700298 /nfs/dbraw/zinc/70/02/98/989700298.db2.gz UKHAMFUSURNITH-UHFFFAOYSA-N 0 3 370.413 1.790 20 5 FDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000370424811 989733763 /nfs/dbraw/zinc/73/37/63/989733763.db2.gz PTMDWIYQUQQGSQ-KRWDZBQOSA-N 0 3 360.458 1.764 20 5 FDBDHN Cn1ccnc1[C@@]([O-])(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877148929 993072506 /nfs/dbraw/zinc/07/25/06/993072506.db2.gz ZBHKBHMBECFMKF-AWEZNQCLSA-N 0 3 358.320 1.911 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343882 993231320 /nfs/dbraw/zinc/23/13/20/993231320.db2.gz AULBPMDQXNPEEB-AWEZNQCLSA-N 0 3 359.357 1.943 20 5 FDBDHN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000289258397 1000085534 /nfs/dbraw/zinc/08/55/34/1000085534.db2.gz QKZGXDSULCAXTB-CZUORRHYSA-N 0 3 360.418 1.782 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000930591312 1003298139 /nfs/dbraw/zinc/29/81/39/1003298139.db2.gz DTAWCPODXDOJSQ-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC000931489603 1004207737 /nfs/dbraw/zinc/20/77/37/1004207737.db2.gz MXPPKTDOEWIQKL-BQFCYCMXSA-N 0 3 357.414 1.111 20 5 FDBDHN C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000932714397 1005117866 /nfs/dbraw/zinc/11/78/66/1005117866.db2.gz HADAGQTWLHJRDH-JLSDUUJJSA-N 0 3 360.458 1.698 20 5 FDBDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000933250427 1005526147 /nfs/dbraw/zinc/52/61/47/1005526147.db2.gz DLDRPSVMCGOGCK-HOTGVXAUSA-N 0 3 351.447 1.997 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261874 1005724355 /nfs/dbraw/zinc/72/43/55/1005724355.db2.gz SKTKHAPWBSABMG-XOKHGSTOSA-N 0 3 362.430 1.453 20 5 FDBDHN CCc1nc(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190688637 178015840 /nfs/dbraw/zinc/01/58/40/178015840.db2.gz GANFUDYSTZWGJA-UHFFFAOYSA-N 0 3 358.402 1.754 20 5 FDBDHN CCc1n[nH]c(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000190688637 178015842 /nfs/dbraw/zinc/01/58/42/178015842.db2.gz GANFUDYSTZWGJA-UHFFFAOYSA-N 0 3 358.402 1.754 20 5 FDBDHN CCc1nnc(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000190688637 178015844 /nfs/dbraw/zinc/01/58/44/178015844.db2.gz GANFUDYSTZWGJA-UHFFFAOYSA-N 0 3 358.402 1.754 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000193990066 178192462 /nfs/dbraw/zinc/19/24/62/178192462.db2.gz BBQDQDLQZPGHNM-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN Cn1cnnc1Sc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000237947087 178339638 /nfs/dbraw/zinc/33/96/38/178339638.db2.gz ZDBWOIYDYHBBNH-UHFFFAOYSA-N 0 3 362.415 1.310 20 5 FDBDHN CN1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245609264 178370201 /nfs/dbraw/zinc/37/02/01/178370201.db2.gz BCMRAGRFRPYQEJ-JKSUJKDBSA-N 0 3 358.402 1.536 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511405235 538960138 /nfs/dbraw/zinc/96/01/38/538960138.db2.gz PPJIWAGVUQWKEN-KRWDZBQOSA-N 0 3 364.446 1.890 20 5 FDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000519648525 539495891 /nfs/dbraw/zinc/49/58/91/539495891.db2.gz VIHWBZBYDPULCE-LRDDRELGSA-N 0 3 374.445 1.883 20 5 FDBDHN Cc1sc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000264916105 179239282 /nfs/dbraw/zinc/23/92/82/179239282.db2.gz OPXXLTAIJYPSNV-UHFFFAOYSA-N 0 3 368.459 1.495 20 5 FDBDHN COC(=O)[C@@H]1CC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000265100320 179286519 /nfs/dbraw/zinc/28/65/19/179286519.db2.gz XHACDBYPDYXSLS-ZBFHGGJFSA-N 0 3 364.398 1.610 20 5 FDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)NC ZINC000265522514 179397132 /nfs/dbraw/zinc/39/71/32/179397132.db2.gz TVDUCXOYLPRMLJ-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934262410 781929252 /nfs/dbraw/zinc/92/92/52/781929252.db2.gz WPDIXGKUHSDPEM-IRXDYDNUSA-N 0 3 362.430 1.373 20 5 FDBDHN Cc1nn(C)c(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)c1[N+](=O)[O-] ZINC000274072554 181021215 /nfs/dbraw/zinc/02/12/15/181021215.db2.gz WQBQORUUJJTMIM-UHFFFAOYSA-N 0 3 373.373 1.689 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1N(C)C ZINC000536546983 540613766 /nfs/dbraw/zinc/61/37/66/540613766.db2.gz DUQWVBJSPZNAGE-GXTWGEPZSA-N 0 3 367.427 1.484 20 5 FDBDHN COC[C@H](CC(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536859951 540654984 /nfs/dbraw/zinc/65/49/84/540654984.db2.gz VHTNESPTZAHKMF-ZDUSSCGKSA-N 0 3 359.448 1.524 20 5 FDBDHN Cn1cc(CN2CCC(OCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539823795 540998215 /nfs/dbraw/zinc/99/82/15/540998215.db2.gz LUGBXPUUZAJOFA-UHFFFAOYSA-N 0 3 360.414 1.969 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000540629971 541083602 /nfs/dbraw/zinc/08/36/02/541083602.db2.gz VYIGPVAJVCRMCC-CQSZACIVSA-N 0 3 351.403 1.509 20 5 FDBDHN COc1ccc(CCNCc2csc([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000540809475 541099320 /nfs/dbraw/zinc/09/93/20/541099320.db2.gz JELHTDMKPKPCKA-UHFFFAOYSA-N 0 3 371.440 1.645 20 5 FDBDHN Cn1c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000541051863 541143013 /nfs/dbraw/zinc/14/30/13/541143013.db2.gz UOJOQBZMSCDDLB-HNNXBMFYSA-N 0 3 358.398 1.430 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000275580503 181359071 /nfs/dbraw/zinc/35/90/71/181359071.db2.gz PSFRRFOOKJSKPA-AWEZNQCLSA-N 0 3 367.402 1.669 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542680764 541447066 /nfs/dbraw/zinc/44/70/66/541447066.db2.gz XMHQVCXZDFYKCY-UHFFFAOYSA-N 0 3 363.462 1.423 20 5 FDBDHN C[C@H](C(=O)N(CCN(C)C)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716988 541453036 /nfs/dbraw/zinc/45/30/36/541453036.db2.gz ULDQQPXFUXUZEZ-ZDUSSCGKSA-N 0 3 354.426 1.789 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)c1 ZINC000543900583 541679814 /nfs/dbraw/zinc/67/98/14/541679814.db2.gz KKLVUUOMHMDDBU-UHFFFAOYSA-N 0 3 351.403 1.928 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000544666014 541803610 /nfs/dbraw/zinc/80/36/10/541803610.db2.gz XJPOVZJRFKNYKL-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000277817347 181854988 /nfs/dbraw/zinc/85/49/88/181854988.db2.gz YBNZIXRUNMRAPZ-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000277917218 181873455 /nfs/dbraw/zinc/87/34/55/181873455.db2.gz DUVGFLLYDZIDNR-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1SC ZINC000546569694 542166429 /nfs/dbraw/zinc/16/64/29/542166429.db2.gz OMZBRZIXKKWSQD-HNNXBMFYSA-N 0 3 355.416 1.122 20 5 FDBDHN CCCNC(=O)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000287368445 183273909 /nfs/dbraw/zinc/27/39/09/183273909.db2.gz MIHPDHHHWXINPW-HIFRSBDPSA-N 0 3 369.422 1.143 20 5 FDBDHN CN(C)C(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295174712 184041658 /nfs/dbraw/zinc/04/16/58/184041658.db2.gz QNZFFFZFFRMFDP-AWEZNQCLSA-N 0 3 365.430 1.715 20 5 FDBDHN CN(C)C(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295174715 184041967 /nfs/dbraw/zinc/04/19/67/184041967.db2.gz QNZFFFZFFRMFDP-CQSZACIVSA-N 0 3 365.430 1.715 20 5 FDBDHN COc1ccc(OCCN(C)[C@@H]2CCN3CCO[C@H]2C3)c([N+](=O)[O-])c1 ZINC000295462730 184074281 /nfs/dbraw/zinc/07/42/81/184074281.db2.gz QFJVWNFIDVEJIE-PBHICJAKSA-N 0 3 351.403 1.387 20 5 FDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000295357675 184062194 /nfs/dbraw/zinc/06/21/94/184062194.db2.gz FNNMMPUZASGERM-AWEZNQCLSA-N 0 3 350.419 1.383 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296359729 184157684 /nfs/dbraw/zinc/15/76/84/184157684.db2.gz IFLWFBJMYPXPPE-UKRRQHHQSA-N 0 3 374.445 1.304 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000296622560 184184870 /nfs/dbraw/zinc/18/48/70/184184870.db2.gz VAJUZLAXCRTKLK-LBPRGKRZSA-N 0 3 368.409 1.377 20 5 FDBDHN COc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000296864780 184208967 /nfs/dbraw/zinc/20/89/67/184208967.db2.gz PHYCRLHJPCMKKS-CYBMUJFWSA-N 0 3 352.391 1.572 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000297698300 184308835 /nfs/dbraw/zinc/30/88/35/184308835.db2.gz ARGSTIYNAMWGKY-GFCCVEGCSA-N 0 3 362.430 1.998 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000172312654 258273817 /nfs/dbraw/zinc/27/38/17/258273817.db2.gz KGQHUJADWOCZQL-UHFFFAOYSA-N 0 3 350.419 1.360 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2nn(C)c(=O)cc2C1 ZINC000172795401 258285545 /nfs/dbraw/zinc/28/55/45/258285545.db2.gz HQJKIUUGBVOCCS-UHFFFAOYSA-N 0 3 371.397 1.384 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000550228267 543043487 /nfs/dbraw/zinc/04/34/87/543043487.db2.gz PRWIYXMFASDOBP-JKSUJKDBSA-N 0 3 362.430 1.637 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC[C@@H](C)CN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000552886642 543532238 /nfs/dbraw/zinc/53/22/38/543532238.db2.gz ZTFBRNNOERLGDM-GFCCVEGCSA-N 0 3 373.413 1.377 20 5 FDBDHN NC(=O)c1cccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553143596 543575772 /nfs/dbraw/zinc/57/57/72/543575772.db2.gz PSBRMGOZAIIIDJ-GJZGRUSLSA-N 0 3 370.409 1.741 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000077616481 172130488 /nfs/dbraw/zinc/13/04/88/172130488.db2.gz PAIQEKJQGLRPRM-AWEZNQCLSA-N 0 3 370.475 1.147 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080612085 172175359 /nfs/dbraw/zinc/17/53/59/172175359.db2.gz HHPRMGDRKKSULY-UHFFFAOYSA-N 0 3 364.446 1.732 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129938075 173155301 /nfs/dbraw/zinc/15/53/01/173155301.db2.gz GTINDELABWRBQS-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN NC(=O)[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131350391 173198811 /nfs/dbraw/zinc/19/88/11/173198811.db2.gz RBGHOCVHYSQGDP-UONOGXRCSA-N 0 3 355.416 1.002 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133554802 173268548 /nfs/dbraw/zinc/26/85/48/173268548.db2.gz XYZJRFKSQHOAAD-WDEREUQCSA-N 0 3 354.432 1.540 20 5 FDBDHN CC1(C)CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000175404820 174004368 /nfs/dbraw/zinc/00/43/68/174004368.db2.gz JOKJKUVRQJDADE-UHFFFAOYSA-N 0 3 354.794 1.188 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000176720586 174085062 /nfs/dbraw/zinc/08/50/62/174085062.db2.gz ITIWCZONIKPLRX-HIFRSBDPSA-N 0 3 350.419 1.936 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177160343 174110416 /nfs/dbraw/zinc/11/04/16/174110416.db2.gz WISXIGIIXAAYAD-AAEUAGOBSA-N 0 3 356.386 1.531 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000177543485 174140018 /nfs/dbraw/zinc/14/00/18/174140018.db2.gz LTYAGOXBPDSKKT-OAHLLOKOSA-N 0 3 353.444 1.985 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000178153099 174174669 /nfs/dbraw/zinc/17/46/69/174174669.db2.gz MHZJWKYFHIYVEG-GFCCVEGCSA-N 0 3 352.416 1.035 20 5 FDBDHN CCc1n[nH]c(C(=O)NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000179709859 258356575 /nfs/dbraw/zinc/35/65/75/258356575.db2.gz LOWCAHUYXYRQAM-UHFFFAOYSA-N 0 3 362.390 1.146 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179993642 258361051 /nfs/dbraw/zinc/36/10/51/258361051.db2.gz ZYEBRUAAGDEPQI-UHFFFAOYSA-N 0 3 372.372 1.564 20 5 FDBDHN CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2cnccc21 ZINC000180116999 258362140 /nfs/dbraw/zinc/36/21/40/258362140.db2.gz MEOJJNVPCIKQRS-UHFFFAOYSA-N 0 3 362.411 1.819 20 5 FDBDHN C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000176490381 258324440 /nfs/dbraw/zinc/32/44/40/258324440.db2.gz QCBCGRNTTVRIDP-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178950943 258340897 /nfs/dbraw/zinc/34/08/97/258340897.db2.gz SBALUKIMBYONJB-UHFFFAOYSA-N 0 3 355.460 1.741 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000180879919 258377062 /nfs/dbraw/zinc/37/70/62/258377062.db2.gz RCLPWHWGJNVQRX-MRXNPFEDSA-N 0 3 373.413 1.064 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCc2ccccn2)CC1 ZINC000195399892 258395007 /nfs/dbraw/zinc/39/50/07/258395007.db2.gz HFOLUIIZWVQFGD-UHFFFAOYSA-N 0 3 372.429 1.352 20 5 FDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553784125 543696804 /nfs/dbraw/zinc/69/68/04/543696804.db2.gz YAIBUTMPBAUXGR-GRDNDAEWSA-N 0 3 374.441 1.513 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000558019512 544373529 /nfs/dbraw/zinc/37/35/29/544373529.db2.gz OLFOORPXWSZXTE-GASCZTMLSA-N 0 3 374.441 1.752 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000293941608 258905275 /nfs/dbraw/zinc/90/52/75/258905275.db2.gz CTDXCNRVFMKICG-OAHLLOKOSA-N 0 3 372.385 1.485 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301215542 259023083 /nfs/dbraw/zinc/02/30/83/259023083.db2.gz XQLNKIJSLMLMJW-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301814614 259034151 /nfs/dbraw/zinc/03/41/51/259034151.db2.gz ZQMCDVACKXAPMY-UHFFFAOYSA-N 0 3 354.357 1.617 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000302509584 259042737 /nfs/dbraw/zinc/04/27/37/259042737.db2.gz SDHTYEDFAMVKFM-GFCCVEGCSA-N 0 3 350.419 1.236 20 5 FDBDHN COc1ccc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000330602886 259153114 /nfs/dbraw/zinc/15/31/14/259153114.db2.gz HNLVXEIDFREIGK-QWHCGFSZSA-N 0 3 357.432 1.553 20 5 FDBDHN O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000367784629 260091174 /nfs/dbraw/zinc/09/11/74/260091174.db2.gz QZZDGIRWYIEYLG-OAHLLOKOSA-N 0 3 370.413 1.840 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000368157897 260142167 /nfs/dbraw/zinc/14/21/67/260142167.db2.gz FOBGFYIQWDBFOI-HOCLYGCPSA-N 0 3 350.350 1.445 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368598380 260208091 /nfs/dbraw/zinc/20/80/91/260208091.db2.gz ZWGANLPWSQSYSM-CJNGLKHVSA-N 0 3 370.413 1.650 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000368796478 260238106 /nfs/dbraw/zinc/23/81/06/260238106.db2.gz JSGJSJWHRLAQFC-LJQANCHMSA-N 0 3 370.409 1.699 20 5 FDBDHN CN1CCN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000368842601 260247374 /nfs/dbraw/zinc/24/73/74/260247374.db2.gz DDCLSSBXRJHSKN-UHFFFAOYSA-N 0 3 350.419 1.678 20 5 FDBDHN O=C(CN[C@H]1CCCC[C@@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000368948229 260264927 /nfs/dbraw/zinc/26/49/27/260264927.db2.gz BLRBQAUKFTZFHO-HOCLYGCPSA-N 0 3 362.430 1.766 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000369308496 260337614 /nfs/dbraw/zinc/33/76/14/260337614.db2.gz BFQVZTXZQWYECQ-CQSZACIVSA-N 0 3 364.421 1.834 20 5 FDBDHN O=C(NC1CC1)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373676518 261030070 /nfs/dbraw/zinc/03/00/70/261030070.db2.gz WNWVMNOZUCPAAZ-HUUCEWRRSA-N 0 3 360.414 1.762 20 5 FDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000374149716 261084989 /nfs/dbraw/zinc/08/49/89/261084989.db2.gz UJECWDAEVWHMQT-OAOQPFQOSA-N 0 3 364.446 1.822 20 5 FDBDHN NC(=O)c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000374365082 261117959 /nfs/dbraw/zinc/11/79/59/261117959.db2.gz JLHXHBRNUJKAAC-JKSUJKDBSA-N 0 3 370.409 1.741 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)n1 ZINC000374639238 261168327 /nfs/dbraw/zinc/16/83/27/261168327.db2.gz AVXQZJWOUXBQLP-UHFFFAOYSA-N 0 3 360.374 1.449 20 5 FDBDHN CN1CC[C@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000374858332 261212793 /nfs/dbraw/zinc/21/27/93/261212793.db2.gz UGWUHWKYDAKXTB-GOEBONIOSA-N 0 3 353.444 1.493 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000375013562 261247048 /nfs/dbraw/zinc/24/70/48/261247048.db2.gz QOGZKLCFYOWJBR-HNNXBMFYSA-N 0 3 368.397 1.818 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375338622 261317423 /nfs/dbraw/zinc/31/74/23/261317423.db2.gz SBZHIJGLPBDPRT-MLGOLLRUSA-N 0 3 366.805 1.834 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375626943 261384683 /nfs/dbraw/zinc/38/46/83/261384683.db2.gz ZPVVTNIJWMZKPI-XJKSGUPXSA-N 0 3 353.444 1.983 20 5 FDBDHN COc1cc(OCC(=O)NC[C@@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000375967290 261464683 /nfs/dbraw/zinc/46/46/83/261464683.db2.gz BMSNCVGAPFXEAK-INIZCTEOSA-N 0 3 371.393 1.985 20 5 FDBDHN O=C([C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCCC1 ZINC000378402111 262018846 /nfs/dbraw/zinc/01/88/46/262018846.db2.gz LMNQKVTVFNQAKV-INIZCTEOSA-N 0 3 361.446 1.906 20 5 FDBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCN(CCc2ccncc2)CC1 ZINC000378626504 262056050 /nfs/dbraw/zinc/05/60/50/262056050.db2.gz XFNRXFDWCIXDSH-UHFFFAOYSA-N 0 3 358.446 1.862 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000408145162 262087885 /nfs/dbraw/zinc/08/78/85/262087885.db2.gz QLDPUOBMWPDXOS-DOMZBBRYSA-N 0 3 361.398 1.461 20 5 FDBDHN CC[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000043286358 521848556 /nfs/dbraw/zinc/84/85/56/521848556.db2.gz KPPJENIHLZJYCI-INIZCTEOSA-N 0 3 357.414 1.744 20 5 FDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000060991669 522432393 /nfs/dbraw/zinc/43/23/93/522432393.db2.gz BXBFNTVVYLHICJ-UHFFFAOYSA-N 0 3 368.459 1.885 20 5 FDBDHN COCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717156 522772988 /nfs/dbraw/zinc/77/29/88/522772988.db2.gz KXOOOCNIGVLXKE-GFCCVEGCSA-N 0 3 358.416 1.359 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2Br)c1 ZINC000048820458 522785086 /nfs/dbraw/zinc/78/50/86/522785086.db2.gz NXWBXYIYEZOTLQ-GFCCVEGCSA-N 0 3 355.192 1.705 20 5 FDBDHN CCN1CCC(N(C)C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075604585 522939797 /nfs/dbraw/zinc/93/97/97/522939797.db2.gz FDVMUYLUKFSNLZ-CYBMUJFWSA-N 0 3 362.430 1.656 20 5 FDBDHN CN(C)CCN1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000075669237 522954085 /nfs/dbraw/zinc/95/40/85/522954085.db2.gz XJROCBXZUQULDY-UHFFFAOYSA-N 0 3 370.475 1.436 20 5 FDBDHN O=C([C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000051531047 523035183 /nfs/dbraw/zinc/03/51/83/523035183.db2.gz CNHZSPCKJDLEOP-HNNXBMFYSA-N 0 3 363.414 1.544 20 5 FDBDHN CCN1CCC(n2nccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000066662726 523156322 /nfs/dbraw/zinc/15/63/22/523156322.db2.gz KUVWDCVIMXFIST-UHFFFAOYSA-N 0 3 361.406 1.673 20 5 FDBDHN COc1cc(NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000078260618 523546801 /nfs/dbraw/zinc/54/68/01/523546801.db2.gz QMXWYCBHOQUMOC-UHFFFAOYSA-N 0 3 352.435 1.405 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068222887 523735022 /nfs/dbraw/zinc/73/50/22/523735022.db2.gz IDKGMOWHASUKHC-HIFRSBDPSA-N 0 3 364.446 1.806 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000079709671 523785958 /nfs/dbraw/zinc/78/59/58/523785958.db2.gz DYZROESOKDLWEF-HIFRSBDPSA-N 0 3 358.402 1.356 20 5 FDBDHN CC(C)N1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000068798623 523861554 /nfs/dbraw/zinc/86/15/54/523861554.db2.gz LQBUZLYTYRMYDI-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173243877 524350672 /nfs/dbraw/zinc/35/06/72/524350672.db2.gz JBBVVEFDZVQFGS-AAEUAGOBSA-N 0 3 357.432 1.564 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCN(Cc2cccs2)CC1 ZINC000145685915 524405713 /nfs/dbraw/zinc/40/57/13/524405713.db2.gz PCYUSFLNPPCXAD-UHFFFAOYSA-N 0 3 364.431 1.276 20 5 FDBDHN COc1ccc(OCCN2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000173625097 524424164 /nfs/dbraw/zinc/42/41/64/524424164.db2.gz JBJRDMUZWYJGDC-CYBMUJFWSA-N 0 3 351.403 1.960 20 5 FDBDHN CCCCN(C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112401225 524476487 /nfs/dbraw/zinc/47/64/87/524476487.db2.gz LDVDQLYCJBKRRA-UHFFFAOYSA-N 0 3 370.837 1.826 20 5 FDBDHN NC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Cc2ccccc2C1 ZINC000150708519 524479033 /nfs/dbraw/zinc/47/90/33/524479033.db2.gz COEDVHFDTUTEIM-UHFFFAOYSA-N 0 3 366.421 1.740 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112917023 524592266 /nfs/dbraw/zinc/59/22/66/524592266.db2.gz NUWFXQSXXQKGCY-HNNXBMFYSA-N 0 3 363.462 1.539 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000112922379 524596722 /nfs/dbraw/zinc/59/67/22/524596722.db2.gz PEAHMKCSUJLXFE-GFCCVEGCSA-N 0 3 354.476 1.968 20 5 FDBDHN COc1ccc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159408629 524663486 /nfs/dbraw/zinc/66/34/86/524663486.db2.gz SHQDWXOCOOXOPF-HNNXBMFYSA-N 0 3 362.430 1.518 20 5 FDBDHN CS(=O)(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113317441 524671021 /nfs/dbraw/zinc/67/10/21/524671021.db2.gz LPWLHVGRLGNSKC-UHFFFAOYSA-N 0 3 370.456 1.747 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCN1CCN(C)CC1 ZINC000174725317 524710203 /nfs/dbraw/zinc/71/02/03/524710203.db2.gz AONCIIUICIOOAS-UHFFFAOYSA-N 0 3 363.462 1.411 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1C ZINC000114211293 524758821 /nfs/dbraw/zinc/75/88/21/524758821.db2.gz VTKAKRNUIVORCZ-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000123658657 524800993 /nfs/dbraw/zinc/80/09/93/524800993.db2.gz IHNZAMQJDOKDMQ-MRXNPFEDSA-N 0 3 370.409 1.822 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000152907084 525042476 /nfs/dbraw/zinc/04/24/76/525042476.db2.gz YGLWMCHCZAUSCL-YPMHNXCESA-N 0 3 357.407 1.839 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000124676485 525047773 /nfs/dbraw/zinc/04/77/73/525047773.db2.gz IUDZILFGLJYUNP-WCQYABFASA-N 0 3 374.401 1.264 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000124689406 525054124 /nfs/dbraw/zinc/05/41/24/525054124.db2.gz PXZRELAMSBCIKB-NWDGAFQWSA-N 0 3 374.401 1.264 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000161676813 525150111 /nfs/dbraw/zinc/15/01/11/525150111.db2.gz GBNRAQURWVHECT-CQSZACIVSA-N 0 3 371.459 1.274 20 5 FDBDHN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCN(C2CC2)CC1 ZINC000102715031 525302701 /nfs/dbraw/zinc/30/27/01/525302701.db2.gz MPWPTWKBSYVMPQ-UHFFFAOYSA-N 0 3 370.413 1.596 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000177755048 525343035 /nfs/dbraw/zinc/34/30/35/525343035.db2.gz FGVXQKBPEUYNGE-OCCSQVGLSA-N 0 3 374.397 1.588 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)C[S@](C)=O ZINC000126764658 525351412 /nfs/dbraw/zinc/35/14/12/525351412.db2.gz BZRUHGSJGCGRSE-YDGUKXNOSA-N 0 3 357.432 1.631 20 5 FDBDHN O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127193622 525394400 /nfs/dbraw/zinc/39/44/00/525394400.db2.gz BNJGNRGUOBYRHP-YOEHRIQHSA-N 0 3 359.430 1.877 20 5 FDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000117803278 525396418 /nfs/dbraw/zinc/39/64/18/525396418.db2.gz CLXOANYZSRGKLT-CYBMUJFWSA-N 0 3 368.865 1.790 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000163491965 525415687 /nfs/dbraw/zinc/41/56/87/525415687.db2.gz FKGUXQYODWAUQJ-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN CCCC[C@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(C)on1 ZINC000130988646 525816201 /nfs/dbraw/zinc/81/62/01/525816201.db2.gz YEXHROGLKNNQRE-ZDUSSCGKSA-N 0 3 350.379 1.875 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Cn2ccnn2)CC1 ZINC000182256314 526112482 /nfs/dbraw/zinc/11/24/82/526112482.db2.gz ZFLSKCBMIUBKMD-HNNXBMFYSA-N 0 3 361.402 1.338 20 5 FDBDHN CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000109984611 526212687 /nfs/dbraw/zinc/21/26/87/526212687.db2.gz NTWIXKMXKHGFGN-ZDUSSCGKSA-N 0 3 364.402 1.393 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903333 535886069 /nfs/dbraw/zinc/88/60/69/535886069.db2.gz JQISUZIPZWCDDT-OALUTQOASA-N 0 3 362.474 1.730 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183726252 536037524 /nfs/dbraw/zinc/03/75/24/536037524.db2.gz NACVYFVZPHWABF-BBRMVZONSA-N 0 3 355.460 1.739 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000184029069 536083110 /nfs/dbraw/zinc/08/31/10/536083110.db2.gz UCCJBCZEBUUJSI-RDJZCZTQSA-N 0 3 374.441 1.576 20 5 FDBDHN CCN1CCN([C@@H]2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)CC1 ZINC000184210893 536115710 /nfs/dbraw/zinc/11/57/10/536115710.db2.gz GHVWTNNRCWOOOA-OAHLLOKOSA-N 0 3 366.437 1.954 20 5 FDBDHN COc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184390669 536143755 /nfs/dbraw/zinc/14/37/55/536143755.db2.gz WAWUFWDVTZBRPC-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCCN1CCC[C@H]1CO ZINC000184549584 536161983 /nfs/dbraw/zinc/16/19/83/536161983.db2.gz JXGCFZXGGWYLSU-HNNXBMFYSA-N 0 3 371.459 1.251 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000184868377 536188724 /nfs/dbraw/zinc/18/87/24/536188724.db2.gz PFSLLAMJFHGZOG-QGZVFWFLSA-N 0 3 363.458 1.984 20 5 FDBDHN COCCOC[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000266603749 536908740 /nfs/dbraw/zinc/90/87/40/536908740.db2.gz RXXAPNHPHCFLHU-GDBMZVCRSA-N 0 3 354.403 1.319 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000246365278 536936978 /nfs/dbraw/zinc/93/69/78/536936978.db2.gz ACADYAGPCPTKFN-GJZGRUSLSA-N 0 3 361.398 1.729 20 5 FDBDHN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000189210246 537012126 /nfs/dbraw/zinc/01/21/26/537012126.db2.gz GNMNNCWBDGJXBM-UHFFFAOYSA-N 0 3 363.395 1.685 20 5 FDBDHN CC(C)OC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000189535357 537061997 /nfs/dbraw/zinc/06/19/97/537061997.db2.gz RVRMBRQWCGQHHX-UHFFFAOYSA-N 0 3 357.432 1.419 20 5 FDBDHN Cc1nn(C)c(NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000263893575 537128775 /nfs/dbraw/zinc/12/87/75/537128775.db2.gz XUZIHLGFZLYFOV-UHFFFAOYSA-N 0 3 360.418 1.540 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000247533277 537130453 /nfs/dbraw/zinc/13/04/53/537130453.db2.gz OLOMFGALEHWVKA-GDBMZVCRSA-N 0 3 374.397 1.761 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCCN(C)C)n1 ZINC000191789738 537212482 /nfs/dbraw/zinc/21/24/82/537212482.db2.gz IUJXIGXITBESKM-UHFFFAOYSA-N 0 3 361.402 1.682 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000249055270 537226035 /nfs/dbraw/zinc/22/60/35/537226035.db2.gz OQSQMWKUYCRHLW-OWCLPIDISA-N 0 3 366.805 1.925 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1N(C)C ZINC000270535246 537350958 /nfs/dbraw/zinc/35/09/58/537350958.db2.gz WGEDWNQHELESAT-GJZGRUSLSA-N 0 3 352.460 1.778 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000293439964 537461848 /nfs/dbraw/zinc/46/18/48/537461848.db2.gz VAIQNVCVCVQNCT-QZTJIDSGSA-N 0 3 360.410 1.870 20 5 FDBDHN NC(=O)c1ccnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000290977746 537498011 /nfs/dbraw/zinc/49/80/11/537498011.db2.gz QYOVXMVPXDPAAH-CQSZACIVSA-N 0 3 371.397 1.267 20 5 FDBDHN COC(=O)c1cnc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281530945 537559265 /nfs/dbraw/zinc/55/92/65/537559265.db2.gz AHPICWXXKIZMFA-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289741149 537586388 /nfs/dbraw/zinc/58/63/88/537586388.db2.gz JPZLZAPFMWXJKB-UWWQBHOKSA-N 0 3 365.430 1.130 20 5 FDBDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000245425752 537658176 /nfs/dbraw/zinc/65/81/76/537658176.db2.gz FFFJLQDYHMACQX-XJKSGUPXSA-N 0 3 362.430 1.656 20 5 FDBDHN COc1ccc2c(c1)[C@H](C)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000366769150 537852385 /nfs/dbraw/zinc/85/23/85/537852385.db2.gz LZNTXYBVONRHDA-CZUORRHYSA-N 0 3 360.414 1.823 20 5 FDBDHN COC(=O)COc1ccc(CN2CCNC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414781119 537909522 /nfs/dbraw/zinc/90/95/22/537909522.db2.gz VHTXJJHWXJUEQW-INIZCTEOSA-N 0 3 355.366 1.280 20 5 FDBDHN O=C1[C@@H](N[C@H]2CCC(=O)N[C@@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367055290 537926906 /nfs/dbraw/zinc/92/69/06/537926906.db2.gz OYWUNPORIXYBMA-YQQAZPJKSA-N 0 3 358.398 1.347 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000372417500 537946094 /nfs/dbraw/zinc/94/60/94/537946094.db2.gz WRBADKGVZFPBRA-CQSZACIVSA-N 0 3 359.434 1.101 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367447203 537960403 /nfs/dbraw/zinc/96/04/03/537960403.db2.gz JXHKYRWXNWSFJS-KSSFIOAISA-N 0 3 358.398 1.131 20 5 FDBDHN COc1cccc(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000444400165 538159060 /nfs/dbraw/zinc/15/90/60/538159060.db2.gz MWJYPKIBGTYMJN-CYBMUJFWSA-N 0 3 351.403 1.834 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@](C)(F)C1 ZINC000420323840 538265833 /nfs/dbraw/zinc/26/58/33/538265833.db2.gz BOXAPOMYIRVUKJ-INIZCTEOSA-N 0 3 354.382 1.565 20 5 FDBDHN Cc1cc(NCCNS(=O)(=O)NC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000428669059 538310253 /nfs/dbraw/zinc/31/02/53/538310253.db2.gz IKRWUHVREOTTFX-UHFFFAOYSA-N 0 3 367.431 1.118 20 5 FDBDHN N[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000429102000 538334664 /nfs/dbraw/zinc/33/46/64/538334664.db2.gz UNIZIEQBWGHTRY-UONOGXRCSA-N 0 3 372.381 1.609 20 5 FDBDHN Cc1nccn1CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420973549 538370835 /nfs/dbraw/zinc/37/08/35/538370835.db2.gz MOQWDYPLNOOXTL-UHFFFAOYSA-N 0 3 367.431 1.010 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](NC(C)=O)C1 ZINC000420986987 538377125 /nfs/dbraw/zinc/37/71/25/538377125.db2.gz NKPMDFWPEDEUGN-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000452350375 538378373 /nfs/dbraw/zinc/37/83/73/538378373.db2.gz OEDLBMYHOSUYDS-QGZVFWFLSA-N 0 3 373.413 1.357 20 5 FDBDHN Cc1nc(NCCCN2CCN(C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000450239703 538430085 /nfs/dbraw/zinc/43/00/85/538430085.db2.gz FGJPAICUCBBBBF-GOSISDBHSA-N 0 3 370.457 2.484 20 5 FDBDHN COc1c(C(=O)NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000477121271 538600512 /nfs/dbraw/zinc/60/05/12/538600512.db2.gz QOHWEXCGRPWWBI-CYBMUJFWSA-N 0 3 351.403 1.834 20 5 FDBDHN CNc1c(C(=O)NCc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000462777775 538660366 /nfs/dbraw/zinc/66/03/66/538660366.db2.gz MTFJUUGGTIXLRF-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489464557 538815533 /nfs/dbraw/zinc/81/55/33/538815533.db2.gz KMRHFSKOXDEUOS-KKUMJFAQSA-N 0 3 354.403 1.460 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000474345997 538835133 /nfs/dbraw/zinc/83/51/33/538835133.db2.gz CFDDOFHYWCBSOJ-DOTOQJQBSA-N 0 3 352.387 1.787 20 5 FDBDHN CNc1nccc(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000561332712 545804719 /nfs/dbraw/zinc/80/47/19/545804719.db2.gz IBSHWZKJDBZCEI-UHFFFAOYSA-N 0 3 369.425 2.210 20 5 FDBDHN N[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000562814498 546281147 /nfs/dbraw/zinc/28/11/47/546281147.db2.gz ACYYAEONQAXPCA-INIZCTEOSA-N 0 3 370.413 1.521 20 5 FDBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563137297 546419757 /nfs/dbraw/zinc/41/97/57/546419757.db2.gz CVCNLPMWDUDEFR-IUODEOHRSA-N 0 3 353.419 1.671 20 5 FDBDHN CCN1CCCC[C@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000563266823 546471828 /nfs/dbraw/zinc/47/18/28/546471828.db2.gz AGCWMTWPLIWJQL-INIZCTEOSA-N 0 3 372.429 1.941 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000563362367 546501323 /nfs/dbraw/zinc/50/13/23/546501323.db2.gz BUCFELNOIHXELW-QGZVFWFLSA-N 0 3 362.386 1.287 20 5 FDBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](CN)C1 ZINC000563490672 546556007 /nfs/dbraw/zinc/55/60/07/546556007.db2.gz PPTMWGRXWTXQJB-JTQLQIEISA-N 0 3 361.324 1.720 20 5 FDBDHN C[C@]1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)OCCc2sccc21 ZINC000564869855 547074960 /nfs/dbraw/zinc/07/49/60/547074960.db2.gz KXDUFXFCPVGZKX-IUODEOHRSA-N 0 3 352.416 1.291 20 5 FDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)CN(C)C ZINC000568501778 548562971 /nfs/dbraw/zinc/56/29/71/548562971.db2.gz DGEZTPFSWAHMBG-ZDUSSCGKSA-N 0 3 357.476 1.934 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ncccc2F)c1 ZINC000568975709 548752925 /nfs/dbraw/zinc/75/29/25/548752925.db2.gz JUFJYZPMFXKPRH-CYBMUJFWSA-N 0 3 351.334 1.537 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1c2ccccc2C[C@H]1C ZINC000569095739 548794382 /nfs/dbraw/zinc/79/43/82/548794382.db2.gz JEANMICCUALDHT-DVOMOZLQSA-N 0 3 373.413 1.108 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000569363048 548891445 /nfs/dbraw/zinc/89/14/45/548891445.db2.gz XVVGQLKYDFYPOB-NVXWUHKLSA-N 0 3 364.373 1.667 20 5 FDBDHN O=C(CCN1CCC[C@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000570105357 549160086 /nfs/dbraw/zinc/16/00/86/549160086.db2.gz ZESUUGHOEXJJIH-HNNXBMFYSA-N 0 3 362.430 1.720 20 5 FDBDHN CSCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000572998045 550042027 /nfs/dbraw/zinc/04/20/27/550042027.db2.gz CYRIUAGPPMVKBG-SNVBAGLBSA-N 0 3 372.472 1.021 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]12CCNC2=O ZINC000573104770 550065239 /nfs/dbraw/zinc/06/52/39/550065239.db2.gz DAXSOTNWJDYKHE-QGZVFWFLSA-N 0 3 362.386 1.287 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000573431738 550135820 /nfs/dbraw/zinc/13/58/20/550135820.db2.gz XCPSMNXMKQOGFB-WCQYABFASA-N 0 3 366.374 1.244 20 5 FDBDHN Cc1c(CNC(=O)NCCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000574220058 550278467 /nfs/dbraw/zinc/27/84/67/550278467.db2.gz JHQYJUMSYUWOJJ-UHFFFAOYSA-N 0 3 363.462 1.730 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000574446344 550315329 /nfs/dbraw/zinc/31/53/29/550315329.db2.gz ZCXYSVQYDPFTTA-ZDUSSCGKSA-N 0 3 372.443 1.282 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000574529534 550328903 /nfs/dbraw/zinc/32/89/03/550328903.db2.gz VYDHLRZYBAERJF-UHFFFAOYSA-N 0 3 371.441 2.544 20 5 FDBDHN CN(C)CCn1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000576410520 550546505 /nfs/dbraw/zinc/54/65/05/550546505.db2.gz MBTJVBWNCZYSKO-UHFFFAOYSA-N 0 3 351.794 1.936 20 5 FDBDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579053134 550830097 /nfs/dbraw/zinc/83/00/97/550830097.db2.gz DKZZJTJTUMUUIX-SMDDNHRTSA-N 0 3 364.402 1.182 20 5 FDBDHN COc1c(C(=O)NCc2ccncc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000579168849 550843542 /nfs/dbraw/zinc/84/35/42/550843542.db2.gz APHWBEYUKYMEGB-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579541927 550883733 /nfs/dbraw/zinc/88/37/33/550883733.db2.gz GVGSSLKKTUEBRA-OAHLLOKOSA-N 0 3 374.441 1.465 20 5 FDBDHN CC1CCN(c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000580184607 550952235 /nfs/dbraw/zinc/95/22/35/550952235.db2.gz KZNSJUNDSVOUME-KRWDZBQOSA-N 0 3 374.445 1.573 20 5 FDBDHN COCCN(C)CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580494753 550987802 /nfs/dbraw/zinc/98/78/02/550987802.db2.gz UCOBDDBJDCJZTO-UHFFFAOYSA-N 0 3 366.418 1.467 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000582961951 551285817 /nfs/dbraw/zinc/28/58/17/551285817.db2.gz NWFPOWYAMLEEKR-UHFFFAOYSA-N 0 3 373.457 1.613 20 5 FDBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](CN)C1 ZINC000583692214 551388227 /nfs/dbraw/zinc/38/82/27/551388227.db2.gz ODLANDDQJWPSMN-SNVBAGLBSA-N 0 3 357.208 1.072 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)n1 ZINC000585814889 551610478 /nfs/dbraw/zinc/61/04/78/551610478.db2.gz BETSWXPRFMJLLR-STQMWFEESA-N 0 3 351.407 1.137 20 5 FDBDHN CN(Cc1ccccc1)[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589580415 551736553 /nfs/dbraw/zinc/73/65/53/551736553.db2.gz LDPQVEUFRJQPIF-AWEZNQCLSA-N 0 3 355.398 1.799 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047151 551757855 /nfs/dbraw/zinc/75/78/55/551757855.db2.gz VHFIYVWSUOMFNL-IUODEOHRSA-N 0 3 372.381 1.024 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@]4(C3)CCCN(C)C4)cc2n(C)c1=O ZINC000590141955 551761973 /nfs/dbraw/zinc/76/19/73/551761973.db2.gz XNKULBCLIZIFPY-GOSISDBHSA-N 0 3 359.430 1.707 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446098 551785660 /nfs/dbraw/zinc/78/56/60/551785660.db2.gz RHEAIRFXKBLCGM-MFKMUULPSA-N 0 3 366.805 1.141 20 5 FDBDHN NCc1cccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000591309899 551860553 /nfs/dbraw/zinc/86/05/53/551860553.db2.gz NSIIJBCUICCDFE-UHFFFAOYSA-N 0 3 356.386 1.803 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000591330686 551862953 /nfs/dbraw/zinc/86/29/53/551862953.db2.gz DIVGDJUTMNLEGF-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN C[S@@](=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591749920 551906063 /nfs/dbraw/zinc/90/60/63/551906063.db2.gz OZGAFMGQNZASDQ-DLUDVSRJSA-N 0 3 364.423 1.862 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000592105104 551942660 /nfs/dbraw/zinc/94/26/60/551942660.db2.gz YOKDXUFYLJZTLL-UHFFFAOYSA-N 0 3 373.406 1.219 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000592882368 552038617 /nfs/dbraw/zinc/03/86/17/552038617.db2.gz WDXCUMMBFZNVFC-ZDUSSCGKSA-N 0 3 373.413 1.128 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000593020077 552053420 /nfs/dbraw/zinc/05/34/20/552053420.db2.gz ISACSCJJGVZAKU-CABCVRRESA-N 0 3 353.444 1.859 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)nc1 ZINC000593567388 552136792 /nfs/dbraw/zinc/13/67/92/552136792.db2.gz QMDJPEITUGGRLT-DOMZBBRYSA-N 0 3 366.443 1.627 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593882099 552216393 /nfs/dbraw/zinc/21/63/93/552216393.db2.gz BVFUFVBFISUCHP-UHFFFAOYSA-N 0 3 362.430 1.577 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000594375093 552297992 /nfs/dbraw/zinc/29/79/92/552297992.db2.gz ZACAACWDSZFNHS-ZBFHGGJFSA-N 0 3 369.425 2.107 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC2(CCCCC2)C1 ZINC000594629001 552345608 /nfs/dbraw/zinc/34/56/08/552345608.db2.gz UYWWJZISWJOSPK-CQSZACIVSA-N 0 3 374.441 1.848 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)NC1CCN(C2CC2)CC1 ZINC000594906115 552423337 /nfs/dbraw/zinc/42/33/37/552423337.db2.gz DCOPOCCVBARBPH-UHFFFAOYSA-N 0 3 370.413 1.596 20 5 FDBDHN COc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000594954388 552426653 /nfs/dbraw/zinc/42/66/53/552426653.db2.gz ZFUFAUUCXUWBMY-UHFFFAOYSA-N 0 3 358.416 1.614 20 5 FDBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000594957523 552427126 /nfs/dbraw/zinc/42/71/26/552427126.db2.gz QSSLQDSXGHBXOA-INIZCTEOSA-N 0 3 352.387 1.993 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595631757 552595247 /nfs/dbraw/zinc/59/52/47/552595247.db2.gz KXFWUJGPXKJNKI-ZNMIVQPWSA-N 0 3 365.430 1.997 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)[C@H](CN)C(F)(F)F ZINC000595907964 552631695 /nfs/dbraw/zinc/63/16/95/552631695.db2.gz LESKMPNYQIGVGA-PRHODGIISA-N 0 3 364.324 1.752 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596048447 552649566 /nfs/dbraw/zinc/64/95/66/552649566.db2.gz AYSLLUPQLIKUGR-SNVBAGLBSA-N 0 3 355.338 1.722 20 5 FDBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCN1CCN(CC)CC1 ZINC000596073092 552652508 /nfs/dbraw/zinc/65/25/08/552652508.db2.gz FPVKQFNVNDYUHU-UHFFFAOYSA-N 0 3 368.409 1.960 20 5 FDBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076841 552653080 /nfs/dbraw/zinc/65/30/80/552653080.db2.gz QKTMQOWRSDXGKV-UHFFFAOYSA-N 0 3 364.402 1.381 20 5 FDBDHN CC(C)NC(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596086594 552653743 /nfs/dbraw/zinc/65/37/43/552653743.db2.gz SRUPQTCONCBOSS-UHFFFAOYSA-N 0 3 364.446 1.992 20 5 FDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000596178116 552662386 /nfs/dbraw/zinc/66/23/86/552662386.db2.gz HYMHFCMKDGANAI-BBRMVZONSA-N 0 3 361.446 1.156 20 5 FDBDHN C[C@H]1CN(CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCCO1 ZINC000596208309 552664800 /nfs/dbraw/zinc/66/48/00/552664800.db2.gz JTKVILWFRMKHIB-LBPRGKRZSA-N 0 3 372.447 1.155 20 5 FDBDHN CN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251689 552668538 /nfs/dbraw/zinc/66/85/38/552668538.db2.gz WNTZFOHQOIJGKC-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN CO[C@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597187242 552759046 /nfs/dbraw/zinc/75/90/46/552759046.db2.gz MSAHIPLVVRDHGR-GOSISDBHSA-N 0 3 360.414 1.969 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597696088 552823334 /nfs/dbraw/zinc/82/33/34/552823334.db2.gz VGKRAXSPGMJROB-GDBMZVCRSA-N 0 3 363.414 1.685 20 5 FDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000597926073 552846386 /nfs/dbraw/zinc/84/63/86/552846386.db2.gz UHDZOTUPYSHFKD-CYBMUJFWSA-N 0 3 358.402 1.778 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598188624 552874159 /nfs/dbraw/zinc/87/41/59/552874159.db2.gz VSXJDUYQLPEHII-UHFFFAOYSA-N 0 3 350.419 1.304 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000598377675 552890390 /nfs/dbraw/zinc/89/03/90/552890390.db2.gz YWVWWTLJXRASKS-AWEZNQCLSA-N 0 3 363.414 1.977 20 5 FDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598588380 552911960 /nfs/dbraw/zinc/91/19/60/552911960.db2.gz KOUPWGPGTITRQH-UONOGXRCSA-N 0 3 364.450 1.754 20 5 FDBDHN CCN1CCN([C@H](C)CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598589067 552912339 /nfs/dbraw/zinc/91/23/39/552912339.db2.gz CTOQFDHPIQGNES-GFCCVEGCSA-N 0 3 351.407 1.214 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598898899 552941066 /nfs/dbraw/zinc/94/10/66/552941066.db2.gz VYGDQFLZHJLIQS-CYBMUJFWSA-N 0 3 363.418 1.517 20 5 FDBDHN CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000598898535 552941185 /nfs/dbraw/zinc/94/11/85/552941185.db2.gz STUDSSSVEAXLLT-HNNXBMFYSA-N 0 3 361.402 1.269 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598902099 552942122 /nfs/dbraw/zinc/94/21/22/552942122.db2.gz AWNWUYAGKCSLPA-SWLSCSKDSA-N 0 3 361.402 1.269 20 5 FDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598992202 552955118 /nfs/dbraw/zinc/95/51/18/552955118.db2.gz XZRJHIKHMCFKIA-UJAVWCLSSA-N 0 3 365.397 1.914 20 5 FDBDHN C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072122 552964886 /nfs/dbraw/zinc/96/48/86/552964886.db2.gz ZDKUIVAEOTUQOL-JSGCOSHPSA-N 0 3 353.386 1.962 20 5 FDBDHN NS(=O)(=O)c1cccc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599165729 552977464 /nfs/dbraw/zinc/97/74/64/552977464.db2.gz RNADXDLWFVOGSS-GFCCVEGCSA-N 0 3 354.432 1.671 20 5 FDBDHN CN1CCCC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599415305 553052054 /nfs/dbraw/zinc/05/20/54/553052054.db2.gz MYQGGBQBQOFOKV-OAHLLOKOSA-N 0 3 355.460 1.789 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000599570578 553091422 /nfs/dbraw/zinc/09/14/22/553091422.db2.gz RYFYNVAATTZFOQ-KRWDZBQOSA-N 0 3 365.386 1.496 20 5 FDBDHN COc1ccc([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599681110 553120252 /nfs/dbraw/zinc/12/02/52/553120252.db2.gz WBPVJCDHKFXGBE-UKRRQHHQSA-N 0 3 364.377 1.789 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938459 553178112 /nfs/dbraw/zinc/17/81/12/553178112.db2.gz AWCHIAMMTUMCMW-LSDHHAIUSA-N 0 3 371.397 1.062 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938596 553179030 /nfs/dbraw/zinc/17/90/30/553179030.db2.gz QLUFGWGYEXVZMH-BPQIPLTHSA-N 0 3 361.442 1.831 20 5 FDBDHN CO[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000602476700 553589972 /nfs/dbraw/zinc/58/99/72/553589972.db2.gz YLBMMCPQFPKOOV-HOCLYGCPSA-N 0 3 350.419 1.918 20 5 FDBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000602530635 553599944 /nfs/dbraw/zinc/59/99/44/553599944.db2.gz URMANQFWGJUXLJ-UHFFFAOYSA-N 0 3 356.176 1.172 20 5 FDBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602623186 553613223 /nfs/dbraw/zinc/61/32/23/553613223.db2.gz FYDWRKQMZBXZHR-GOSISDBHSA-N 0 3 359.430 1.397 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000602770373 553634679 /nfs/dbraw/zinc/63/46/79/553634679.db2.gz RDDQUOWMVPOUTG-ZDUSSCGKSA-N 0 3 351.451 1.972 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000603051273 553701234 /nfs/dbraw/zinc/70/12/34/553701234.db2.gz AHWUAGXRHYQVBN-LBPRGKRZSA-N 0 3 361.320 1.800 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(C1)CCN(C)CC2 ZINC000603383880 553776772 /nfs/dbraw/zinc/77/67/72/553776772.db2.gz PKWGYBQWEXHDLU-UHFFFAOYSA-N 0 3 369.443 1.710 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCCN(CCN4CCOCC4)C3)[nH]c2c1 ZINC000603423294 553784725 /nfs/dbraw/zinc/78/47/25/553784725.db2.gz NVAWIMOIEMHYMO-AWEZNQCLSA-N 0 3 374.445 1.102 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000603631781 553808064 /nfs/dbraw/zinc/80/80/64/553808064.db2.gz XLCXUTADJWHRCN-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000604484365 553880945 /nfs/dbraw/zinc/88/09/45/553880945.db2.gz HEWIWDXTIUOFTQ-UHFFFAOYSA-N 0 3 374.401 1.112 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608959008 554330848 /nfs/dbraw/zinc/33/08/48/554330848.db2.gz FJPPBNKEAMRQRK-UHFFFAOYSA-N 0 3 365.386 1.207 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000610426937 554503960 /nfs/dbraw/zinc/50/39/60/554503960.db2.gz RJDZPKYLXCTBEH-UONOGXRCSA-N 0 3 364.450 1.428 20 5 FDBDHN COc1ccc(OCCN2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000610481190 554516561 /nfs/dbraw/zinc/51/65/61/554516561.db2.gz OLKDYYDBZMRWLK-UHFFFAOYSA-N 0 3 353.419 1.371 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN(C[C@@H]3CCOC3)CC1)OCCO2 ZINC000611275210 554621299 /nfs/dbraw/zinc/62/12/99/554621299.db2.gz CHCQTNHSVPAJQM-AWEZNQCLSA-N 0 3 363.414 1.520 20 5 FDBDHN COc1c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000619436803 555776546 /nfs/dbraw/zinc/77/65/46/555776546.db2.gz SWBUOEXFIRJTJY-CQSZACIVSA-N 0 3 362.430 1.455 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371922 599441825 /nfs/dbraw/zinc/44/18/25/599441825.db2.gz YXENICSBUOBKTO-GFCCVEGCSA-N 0 3 373.417 1.688 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371922 599441828 /nfs/dbraw/zinc/44/18/28/599441828.db2.gz YXENICSBUOBKTO-GFCCVEGCSA-N 0 3 373.417 1.688 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596211 606040749 /nfs/dbraw/zinc/04/07/49/606040749.db2.gz CSILFLNGTLGJPN-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596211 606040757 /nfs/dbraw/zinc/04/07/57/606040757.db2.gz CSILFLNGTLGJPN-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596211 606040763 /nfs/dbraw/zinc/04/07/63/606040763.db2.gz CSILFLNGTLGJPN-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596211 606040769 /nfs/dbraw/zinc/04/07/69/606040769.db2.gz CSILFLNGTLGJPN-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273420300 674535379 /nfs/dbraw/zinc/53/53/79/674535379.db2.gz YVHAMWCGMJDOAQ-KGLIPLIRSA-N 0 3 352.387 1.610 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153763380 671908275 /nfs/dbraw/zinc/90/82/75/671908275.db2.gz KGJISBGAYXEXKX-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000154721955 671927454 /nfs/dbraw/zinc/92/74/54/671927454.db2.gz XWIKGYYORASZFY-HNNXBMFYSA-N 0 3 366.849 1.987 20 5 FDBDHN COc1cccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000194909768 672390363 /nfs/dbraw/zinc/39/03/63/672390363.db2.gz KGFKOTYBQURPBU-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000264704833 672921675 /nfs/dbraw/zinc/92/16/75/672921675.db2.gz CWTNKIKUHTXSFR-UHFFFAOYSA-N 0 3 350.419 1.070 20 5 FDBDHN CCOC(=O)c1ccnc(NC2CCN(CCOC)CC2)c1[N+](=O)[O-] ZINC000265622868 672954420 /nfs/dbraw/zinc/95/44/20/672954420.db2.gz YCHPZSDVGIXJQR-UHFFFAOYSA-N 0 3 352.391 1.689 20 5 FDBDHN COC(=O)CC1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000280426581 675421352 /nfs/dbraw/zinc/42/13/52/675421352.db2.gz MDJZKCIGKSCOST-UHFFFAOYSA-N 0 3 370.427 1.834 20 5 FDBDHN CSc1cccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000363779347 676972983 /nfs/dbraw/zinc/97/29/83/676972983.db2.gz ZZDIVEKETZTEPD-RYUDHWBXSA-N 0 3 351.428 1.910 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000363917272 676978455 /nfs/dbraw/zinc/97/84/55/676978455.db2.gz FJXOLLJRIBZGAF-CYBMUJFWSA-N 0 3 364.475 1.909 20 5 FDBDHN C[C@H](C(=O)N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413820439 679300647 /nfs/dbraw/zinc/30/06/47/679300647.db2.gz QRVQGSSAGQHOQI-QWHCGFSZSA-N 0 3 353.394 1.800 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)c(Br)c1 ZINC000440338324 681987663 /nfs/dbraw/zinc/98/76/63/681987663.db2.gz JTEYNNQGOLXRPL-UHFFFAOYSA-N 0 3 364.221 1.341 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000459479809 684412346 /nfs/dbraw/zinc/41/23/46/684412346.db2.gz OMPPOGIBHODOIE-CHWSQXEVSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1cc(CSc2nnnn2CCN(C)C)c([N+](=O)[O-])cc1F ZINC000463428659 684690700 /nfs/dbraw/zinc/69/07/00/684690700.db2.gz KUMNKXPSHBSDSB-UHFFFAOYSA-N 0 3 356.383 1.583 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000478648466 685914913 /nfs/dbraw/zinc/91/49/13/685914913.db2.gz HKVRNDUJPIHQMA-HNNXBMFYSA-N 0 3 350.419 1.813 20 5 FDBDHN COCCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478819383 685924422 /nfs/dbraw/zinc/92/44/22/685924422.db2.gz AJROEWUVJLTLLZ-UHFFFAOYSA-N 0 3 350.419 1.813 20 5 FDBDHN CNC(=O)[C@H](CCSC)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489854803 687117954 /nfs/dbraw/zinc/11/79/54/687117954.db2.gz DHYVQCKYDQIWTK-FZMZJTMJSA-N 0 3 368.459 1.769 20 5 FDBDHN CCCC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000496204630 687644592 /nfs/dbraw/zinc/64/45/92/687644592.db2.gz QAQSCBPZDMAVJD-GFCCVEGCSA-N 0 3 372.447 1.044 20 5 FDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000514671230 689750773 /nfs/dbraw/zinc/75/07/73/689750773.db2.gz XHWMEPJNEWJFNS-WMLDXEAASA-N 0 3 351.403 1.622 20 5 FDBDHN Cc1c(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000479328980 783022817 /nfs/dbraw/zinc/02/28/17/783022817.db2.gz XNXPPZMMQTZNMP-CQSZACIVSA-N 0 3 363.462 1.586 20 5 FDBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N1CCNCC1 ZINC000430613915 777117892 /nfs/dbraw/zinc/11/78/92/777117892.db2.gz XOIKXEDRVMPVPQ-UHFFFAOYSA-N 0 3 373.413 1.156 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000516624199 785220633 /nfs/dbraw/zinc/22/06/33/785220633.db2.gz IWAQBKOWUOSCRW-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978799656 805775278 /nfs/dbraw/zinc/77/52/78/805775278.db2.gz KSFLPVLBIDMWAU-YVECIDJPSA-N 0 3 363.418 1.131 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978799656 805775287 /nfs/dbraw/zinc/77/52/87/805775287.db2.gz KSFLPVLBIDMWAU-YVECIDJPSA-N 0 3 363.418 1.131 20 5 FDBDHN C[C@@]1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892787911 791231199 /nfs/dbraw/zinc/23/11/99/791231199.db2.gz CGDUYFDWQHWRHA-GOSISDBHSA-N 0 3 355.398 1.995 20 5 FDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cc(O)ccc3Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777771 791980287 /nfs/dbraw/zinc/98/02/87/791980287.db2.gz OGUZACHOTFKCNH-AMVBZWJASA-N 0 3 351.790 1.257 20 5 FDBDHN C[C@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000893048601 792655741 /nfs/dbraw/zinc/65/57/41/792655741.db2.gz SDLCEZMDTXKIKJ-JSGCOSHPSA-N 0 3 360.418 1.593 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452344659 793894476 /nfs/dbraw/zinc/89/44/76/793894476.db2.gz ORCDUAASHJVEPA-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452375761 793926480 /nfs/dbraw/zinc/92/64/80/793926480.db2.gz JXIBJZBNFCXOJW-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724726 815215561 /nfs/dbraw/zinc/21/55/61/815215561.db2.gz NCBFIDFNKHSYEW-NDGTYSDOSA-N 0 3 359.386 1.942 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4OCCN[C@@H]4C3)o2)c1 ZINC000517576692 817491616 /nfs/dbraw/zinc/49/16/16/817491616.db2.gz SMIDUNIVAFTKHA-CVEARBPZSA-N 0 3 358.398 1.855 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccc2nonc2c1 ZINC001029304907 820440544 /nfs/dbraw/zinc/44/05/44/820440544.db2.gz NMHBBLBESCZFSV-OQMKEHIESA-N 0 3 357.370 1.063 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2[C@@H]3CC[C@H]2CN(C)CC3)c([N+](=O)[O-])c1 ZINC000895191056 821602269 /nfs/dbraw/zinc/60/22/69/821602269.db2.gz DLCYUBGOJCLTMV-NEPJUHHUSA-N 0 3 354.432 1.176 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000522305013 822378553 /nfs/dbraw/zinc/37/85/53/822378553.db2.gz MQSGRCPQUQFJDD-AWEZNQCLSA-N 0 3 359.430 1.663 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000896316731 824311028 /nfs/dbraw/zinc/31/10/28/824311028.db2.gz GJKJGEWWKHAOTB-XOKHGSTOSA-N 0 3 362.430 1.896 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280931181 825823109 /nfs/dbraw/zinc/82/31/09/825823109.db2.gz HCFKGTYIOCPEQV-UHFFFAOYSA-N 0 3 374.401 1.523 20 5 FDBDHN CCOC(=O)[C@]1(COC)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281527524 825976186 /nfs/dbraw/zinc/97/61/86/825976186.db2.gz VYOIEWPTVRTQHM-FUHWJXTLSA-N 0 3 366.414 1.920 20 5 FDBDHN CN1CCN(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1(C)C ZINC000281681404 826162439 /nfs/dbraw/zinc/16/24/39/826162439.db2.gz FIVUMLJCSGRYGM-UHFFFAOYSA-N 0 3 359.430 1.832 20 5 FDBDHN CN(Cc1ccncc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432307 827815003 /nfs/dbraw/zinc/81/50/03/827815003.db2.gz ZDNIPRABNKJMIX-UKRRQHHQSA-N 0 3 352.822 1.823 20 5 FDBDHN COc1nscc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433697 827823445 /nfs/dbraw/zinc/82/34/45/827823445.db2.gz NUCFCVTXMPRORL-CHWSQXEVSA-N 0 3 354.432 1.240 20 5 FDBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000450746241 830094719 /nfs/dbraw/zinc/09/47/19/830094719.db2.gz IORUPRVDEVFKBD-MRXNPFEDSA-N 0 3 361.446 1.760 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)N(C)C1 ZINC000451604609 830400520 /nfs/dbraw/zinc/40/05/20/830400520.db2.gz HSHFMQGMCQGFGL-GJZGRUSLSA-N 0 3 373.413 1.572 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897397545 832078291 /nfs/dbraw/zinc/07/82/91/832078291.db2.gz AYWWYSJYSXCJGO-ZDUSSCGKSA-N 0 3 366.176 1.837 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428549612 832877287 /nfs/dbraw/zinc/87/72/87/832877287.db2.gz QEMUCSNYUCCSDX-MRXNPFEDSA-N 0 3 373.413 1.695 20 5 FDBDHN CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CCN(CC)C1 ZINC000899276293 846018382 /nfs/dbraw/zinc/01/83/82/846018382.db2.gz MXCWHHBPPSSWLX-INIZCTEOSA-N 0 3 372.429 1.791 20 5 FDBDHN CC(=O)N[C@H](C)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000481123893 846128777 /nfs/dbraw/zinc/12/87/77/846128777.db2.gz GRTNZLVTEYDBJP-CJNGLKHVSA-N 0 3 365.430 1.571 20 5 FDBDHN O=C(NCCNCc1coc(-c2cccc(Cl)c2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942710 848822246 /nfs/dbraw/zinc/82/22/46/848822246.db2.gz FOCTUMRIXVOQQU-ZIAGYGMSSA-N 0 3 364.789 1.866 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)C1CCN(C)CC1 ZINC000911937474 859164189 /nfs/dbraw/zinc/16/41/89/859164189.db2.gz MIAKFKWJBVLSBO-ZDUSSCGKSA-N 0 3 367.471 1.991 20 5 FDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000842484055 864194186 /nfs/dbraw/zinc/19/41/86/864194186.db2.gz WRVKLJFDSJKFPC-QMMMGPOBSA-N 0 3 357.766 1.817 20 5 FDBDHN CN1CCN(CCCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929421184 866632387 /nfs/dbraw/zinc/63/23/87/866632387.db2.gz HARNJVOIHXYIGM-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)c2cccc(F)c2)cc1 ZINC000916967237 882736626 /nfs/dbraw/zinc/73/66/26/882736626.db2.gz RFTWYWSMDCDNLC-IKGGRYGDSA-N 0 3 350.346 1.451 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272688910 879212875 /nfs/dbraw/zinc/21/28/75/879212875.db2.gz WSSRHNMKQYWOIB-XJKSGUPXSA-N 0 3 370.413 1.650 20 5 FDBDHN O=C(NCc1ccc(CNCc2cc3n(n2)CCC3)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034817180 885154819 /nfs/dbraw/zinc/15/48/19/885154819.db2.gz ZVMMIHSQLVXNBG-QZTJIDSGSA-N 0 3 369.425 1.401 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000195482437 887403416 /nfs/dbraw/zinc/40/34/16/887403416.db2.gz AIMLRXUKTBKIBB-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN Cn1cc(Cl)c(CNC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000940107027 891814368 /nfs/dbraw/zinc/81/43/68/891814368.db2.gz DARPNVPGRZWDIW-ZWNOBZJWSA-N 0 3 355.826 1.209 20 5 FDBDHN CN(C)C(=O)c1cccnc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036097 928232682 /nfs/dbraw/zinc/23/26/82/928232682.db2.gz FJEPRZVVBYMWHE-CABCVRRESA-N 0 3 361.446 1.351 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN(C2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169043514 928236031 /nfs/dbraw/zinc/23/60/31/928236031.db2.gz GXVSGSXKJDEWLT-GJZGRUSLSA-N 0 3 368.478 1.669 20 5 FDBDHN CCOC(=O)C1=C(Nc2c(C)c([N+](=O)[O-])cnc2C(=O)OC)CCNC1 ZINC001170516813 940236854 /nfs/dbraw/zinc/23/68/54/940236854.db2.gz YXTFDKWBLWDYLS-UHFFFAOYSA-N 0 3 364.358 1.307 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813109957 941334294 /nfs/dbraw/zinc/33/42/94/941334294.db2.gz QOGXPGRUEOKWDO-GFCCVEGCSA-N 0 3 370.427 1.442 20 5 FDBDHN CC(COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)[N+](=O)[O-] ZINC000813109699 941334795 /nfs/dbraw/zinc/33/47/95/941334795.db2.gz NYOTYVXDSHTJCK-JTQLQIEISA-N 0 3 350.352 1.557 20 5 FDBDHN CC(COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813111522 941335310 /nfs/dbraw/zinc/33/53/10/941335310.db2.gz UHHHVBORBCZIMS-DTWKUNHWSA-N 0 3 350.780 1.215 20 5 FDBDHN CN(CCCn1ccnc1)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487633 970987739 /nfs/dbraw/zinc/98/77/39/970987739.db2.gz HYNNBZNLNZPYGQ-UHFFFAOYSA-N 0 3 367.431 1.092 20 5 FDBDHN Cn1ccnc1CN1CCC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819221155 943492957 /nfs/dbraw/zinc/49/29/57/943492957.db2.gz BRCBFHPACBCNLV-CVEARBPZSA-N 0 3 373.413 1.143 20 5 FDBDHN O=C1[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccn1 ZINC000819224166 943494867 /nfs/dbraw/zinc/49/48/67/943494867.db2.gz XVJIIUQIVJEMTP-QZTJIDSGSA-N 0 3 370.409 1.804 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000819308085 943512246 /nfs/dbraw/zinc/51/22/46/943512246.db2.gz DSNCNTZGWUDBSR-KBPBESRZSA-N 0 3 363.336 1.481 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000819336015 943532062 /nfs/dbraw/zinc/53/20/62/943532062.db2.gz BSBATCHGFUYMHY-CJNGLKHVSA-N 0 3 362.407 1.789 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000824667585 946658161 /nfs/dbraw/zinc/65/81/61/946658161.db2.gz GWVBYNFQMGOVJH-SMDDNHRTSA-N 0 3 364.377 1.533 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825223769 947060599 /nfs/dbraw/zinc/06/05/99/947060599.db2.gz ODCNWCJZUIDEKA-JKSUJKDBSA-N 0 3 362.430 1.177 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844148773 947804726 /nfs/dbraw/zinc/80/47/26/947804726.db2.gz DGYRJDNWHUOHHH-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN O=[N+]([O-])c1ccnn1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000844726105 948334068 /nfs/dbraw/zinc/33/40/68/948334068.db2.gz AGTMFOKNYGPKRP-SJORKVTESA-N 0 3 357.414 1.724 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001148882044 952822577 /nfs/dbraw/zinc/82/25/77/952822577.db2.gz HMDWWZJCDOLYHY-ZDUSSCGKSA-N 0 3 363.418 1.287 20 5 FDBDHN O=C(CC[NH+]1CCC(Cc2nnn[n-]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197450162 972236017 /nfs/dbraw/zinc/23/60/17/972236017.db2.gz PIUZAPCFHAHYFE-UHFFFAOYSA-N 0 3 359.390 1.391 20 5 FDBDHN O=C(CC[NH+]1CCC(Cc2nn[n-]n2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197450162 972236021 /nfs/dbraw/zinc/23/60/21/972236021.db2.gz PIUZAPCFHAHYFE-UHFFFAOYSA-N 0 3 359.390 1.391 20 5 FDBDHN C[C@@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000776575323 967124080 /nfs/dbraw/zinc/12/40/80/967124080.db2.gz XHRVRCZOOUPOAW-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN Cc1c(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852435321 967304629 /nfs/dbraw/zinc/30/46/29/967304629.db2.gz LYMZGHGGOFTEBZ-ZDUSSCGKSA-N 0 3 362.386 1.758 20 5 FDBDHN O=C(CN1CC[C@@H]2COC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852667447 967518610 /nfs/dbraw/zinc/51/86/10/967518610.db2.gz DZIUXBFTBANMNU-CVEARBPZSA-N 0 3 374.441 1.212 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)CC1 ZINC000847296677 975430944 /nfs/dbraw/zinc/43/09/44/975430944.db2.gz NKSKAWMBUUMZDZ-UHFFFAOYSA-N 0 3 370.413 1.966 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867481767 976225898 /nfs/dbraw/zinc/22/58/98/976225898.db2.gz WVSKQARGATVDDP-UHFFFAOYSA-N 0 3 366.437 1.809 20 5 FDBDHN CCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000867630436 976540701 /nfs/dbraw/zinc/54/07/01/976540701.db2.gz XPALMGXHMYTMIV-HNNXBMFYSA-N 0 3 362.430 1.462 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849510672 977705264 /nfs/dbraw/zinc/70/52/64/977705264.db2.gz KUEYCXFUEPZCCN-SJORKVTESA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000849591024 977797715 /nfs/dbraw/zinc/79/77/15/977797715.db2.gz BMBDJGNJHSZFMN-ZIAGYGMSSA-N 0 3 358.402 1.585 20 5 FDBDHN COc1ccc(OCCN2CCC3(CC2)COCCO3)c([N+](=O)[O-])c1 ZINC000880542309 979286514 /nfs/dbraw/zinc/28/65/14/979286514.db2.gz VURAWZGZERWOEQ-UHFFFAOYSA-N 0 3 352.387 1.864 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466791747 984620256 /nfs/dbraw/zinc/62/02/56/984620256.db2.gz RUGCSRLHFHSCDW-RDTXWAMCSA-N 0 3 373.457 1.909 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885857658 985702364 /nfs/dbraw/zinc/70/23/64/985702364.db2.gz GPPMPVGIGZGRQJ-OAHLLOKOSA-N 0 3 362.430 1.644 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885865384 985720759 /nfs/dbraw/zinc/72/07/59/985720759.db2.gz DXBBHSNDYYDSQQ-OAHLLOKOSA-N 0 3 363.414 1.515 20 5 FDBDHN CC(C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1I ZINC000870378813 985953407 /nfs/dbraw/zinc/95/34/07/985953407.db2.gz XSYQNSYLSVRXQI-ZETCQYMHSA-N 0 3 367.143 1.891 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000293145797 987975561 /nfs/dbraw/zinc/97/55/61/987975561.db2.gz DFYSZDPXPLAFLP-DLBZAZTESA-N 0 3 362.430 1.637 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872780157 988051317 /nfs/dbraw/zinc/05/13/17/988051317.db2.gz KCAONBVFOAXVLL-OLZOCXBDSA-N 0 3 354.432 1.176 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CN2CCN1CCC2 ZINC000365931475 988236395 /nfs/dbraw/zinc/23/63/95/988236395.db2.gz NIARPUVIQZNRIG-CQSZACIVSA-N 0 3 372.347 1.620 20 5 FDBDHN CC(=O)N1CCN(C(=O)CCNCc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873047922 988475606 /nfs/dbraw/zinc/47/56/06/988475606.db2.gz IYUAZJGDPMSPRW-UHFFFAOYSA-N 0 3 362.430 1.382 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363146732 988952285 /nfs/dbraw/zinc/95/22/85/988952285.db2.gz GDZNCKSOYIOGGO-MRXNPFEDSA-N 0 3 360.414 1.078 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363692892 989398651 /nfs/dbraw/zinc/39/86/51/989398651.db2.gz OIQCKHSPMPWIQT-CVEARBPZSA-N 0 3 374.441 1.788 20 5 FDBDHN C[C@@H](CO)N1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000364894609 989872835 /nfs/dbraw/zinc/87/28/35/989872835.db2.gz KUOWMGCHROIEQN-YOEHRIQHSA-N 0 3 362.430 1.089 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000298587122 990179898 /nfs/dbraw/zinc/17/98/98/990179898.db2.gz SLYCEKKYXFDQON-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000372325537 991015330 /nfs/dbraw/zinc/01/53/30/991015330.db2.gz LAVKCHUNSWYDHP-HZPDHXFCSA-N 0 3 357.414 1.704 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000372564962 991219287 /nfs/dbraw/zinc/21/92/87/991219287.db2.gz AVCUXKFEIFSDCC-DWQUBVKVSA-N 0 3 362.430 1.655 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876475550 992647838 /nfs/dbraw/zinc/64/78/38/992647838.db2.gz MBKJMDYDKJMWFF-KSSFIOAISA-N 0 3 365.430 1.504 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000470591428 994066113 /nfs/dbraw/zinc/06/61/13/994066113.db2.gz RAIHGZKUOLTRHN-UHFFFAOYSA-N 0 3 361.402 1.039 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCN(Cc3ccns3)CC2)C1 ZINC000949092106 1002983285 /nfs/dbraw/zinc/98/32/85/1002983285.db2.gz PBLLAROOOZNYFK-ZIAGYGMSSA-N 0 3 366.443 1.002 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)C[C@]3(O)CCOC3)C2)cc1 ZINC000930639412 1003352530 /nfs/dbraw/zinc/35/25/30/1003352530.db2.gz REFIGSKZKFHWCL-BPQIPLTHSA-N 0 3 350.415 1.677 20 5 FDBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778230568 1005710949 /nfs/dbraw/zinc/71/09/49/1005710949.db2.gz CMMZJRLIRQNNBK-AAEUAGOBSA-N 0 3 361.320 1.629 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261836 1005724404 /nfs/dbraw/zinc/72/44/04/1005724404.db2.gz SIHIIHYJHHPQLR-GJZGRUSLSA-N 0 3 362.430 1.373 20 5 FDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193345720 178158674 /nfs/dbraw/zinc/15/86/74/178158674.db2.gz LRLICRHQGPYHPI-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000194348043 178207756 /nfs/dbraw/zinc/20/77/56/178207756.db2.gz LECGBCBMJNDKSW-UHFFFAOYSA-N 0 3 357.407 1.983 20 5 FDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000194819746 178226818 /nfs/dbraw/zinc/22/68/18/178226818.db2.gz WTIOQHNWPMHKPM-LBPRGKRZSA-N 0 3 352.391 1.780 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCCCCC2)c([N+](=O)[O-])c1 ZINC000237321457 178307802 /nfs/dbraw/zinc/30/78/02/178307802.db2.gz NQODPLQWZUABJC-UHFFFAOYSA-N 0 3 357.432 1.933 20 5 FDBDHN C[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237596910 178321248 /nfs/dbraw/zinc/32/12/48/178321248.db2.gz QLSPPDYBFJOLNR-UWVGGRQHSA-N 0 3 354.794 1.187 20 5 FDBDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000245450090 178360185 /nfs/dbraw/zinc/36/01/85/178360185.db2.gz OHEVUYLPGHWRPW-TZMCWYRMSA-N 0 3 351.432 1.927 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000245709064 178376646 /nfs/dbraw/zinc/37/66/46/178376646.db2.gz NACVYFVZPHWABF-XJKSGUPXSA-N 0 3 355.460 1.739 20 5 FDBDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000513270192 538991794 /nfs/dbraw/zinc/99/17/94/538991794.db2.gz ATNOZEYWTQVPIH-MRXNPFEDSA-N 0 3 367.450 1.265 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 ZINC000267899703 674029196 /nfs/dbraw/zinc/02/91/96/674029196.db2.gz BDAQADHEJNFBAQ-TXEJJXNPSA-N 0 3 351.407 1.390 20 5 FDBDHN CC[C@@H]1CCCCN1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265023454 179269841 /nfs/dbraw/zinc/26/98/41/179269841.db2.gz YSYPQZHTZSCVMO-GFCCVEGCSA-N 0 3 356.448 1.919 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC(C)CC1 ZINC000522848014 539585191 /nfs/dbraw/zinc/58/51/91/539585191.db2.gz PPOZSOFPDUSYHT-CQSZACIVSA-N 0 3 366.466 1.675 20 5 FDBDHN C[C@@H]1CCN(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000524721152 539660887 /nfs/dbraw/zinc/66/08/87/539660887.db2.gz RRLAEFIBNHAMIA-LLVKDONJSA-N 0 3 368.821 1.436 20 5 FDBDHN CCN1CCN(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268184210 180019206 /nfs/dbraw/zinc/01/92/06/180019206.db2.gz CXZQLDAWYPQDNU-UHFFFAOYSA-N 0 3 354.838 1.892 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268197442 180022228 /nfs/dbraw/zinc/02/22/28/180022228.db2.gz NYFFNTZDOOJEEF-WBMJQRKESA-N 0 3 360.414 1.314 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000268974238 180190629 /nfs/dbraw/zinc/19/06/29/180190629.db2.gz OFTXOTYZCKOERS-KBMXLJTQSA-N 0 3 354.428 1.541 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000269150356 180228072 /nfs/dbraw/zinc/22/80/72/180228072.db2.gz ABADILAQGOWCHD-UHFFFAOYSA-N 0 3 370.413 1.840 20 5 FDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCNCC2)cn1 ZINC000269170407 180232630 /nfs/dbraw/zinc/23/26/30/180232630.db2.gz TTWPMDIKWLMBDR-UHFFFAOYSA-N 0 3 355.398 1.971 20 5 FDBDHN COCCOCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274032981 181014746 /nfs/dbraw/zinc/01/47/46/181014746.db2.gz MPSFLRPYYCDHBM-UHFFFAOYSA-N 0 3 363.418 1.646 20 5 FDBDHN COc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000274566623 181123903 /nfs/dbraw/zinc/12/39/03/181123903.db2.gz AAEIFBCXTGECKN-CYBMUJFWSA-N 0 3 365.434 1.751 20 5 FDBDHN CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275262224 181274063 /nfs/dbraw/zinc/27/40/63/181274063.db2.gz JWTGFNQAJNCUIW-KBPBESRZSA-N 0 3 350.444 1.829 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(OCCO)CC2)c([N+](=O)[O-])c1 ZINC000534514747 540375483 /nfs/dbraw/zinc/37/54/83/540375483.db2.gz QDPBYRVEHSGIDZ-UHFFFAOYSA-N 0 3 367.402 1.405 20 5 FDBDHN CC(C)[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000540710920 541090579 /nfs/dbraw/zinc/09/05/79/541090579.db2.gz PWOKSHKHQNXETF-ZFWWWQNUSA-N 0 3 371.459 1.666 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000282788805 182056905 /nfs/dbraw/zinc/05/69/05/182056905.db2.gz MZODGWCBKIMMFE-NSHDSACASA-N 0 3 366.393 1.829 20 5 FDBDHN CN(C)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000282815775 182059761 /nfs/dbraw/zinc/05/97/61/182059761.db2.gz IKIFKPURVDSYGF-ZDUSSCGKSA-N 0 3 351.794 1.864 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283046457 182097523 /nfs/dbraw/zinc/09/75/23/182097523.db2.gz JGYWEDXUHXJJKS-LLVKDONJSA-N 0 3 353.398 1.072 20 5 FDBDHN O=c1[nH]c(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000283722957 182259302 /nfs/dbraw/zinc/25/93/02/182259302.db2.gz GOZVGUHWPZDQGI-LBPRGKRZSA-N 0 3 359.386 1.402 20 5 FDBDHN Cc1cc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000269904990 674133396 /nfs/dbraw/zinc/13/33/96/674133396.db2.gz ZIRAAIXHYWLJNL-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN COCCN1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000287018928 183195459 /nfs/dbraw/zinc/19/54/59/183195459.db2.gz LGYKUWKBKVQHCQ-UHFFFAOYSA-N 0 3 364.446 1.890 20 5 FDBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000287114975 183215716 /nfs/dbraw/zinc/21/57/16/183215716.db2.gz ZVVBVFORTFBAKO-LBPRGKRZSA-N 0 3 365.434 1.523 20 5 FDBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295259249 184051490 /nfs/dbraw/zinc/05/14/90/184051490.db2.gz ADRIFMPAJRRXFA-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295397804 184066417 /nfs/dbraw/zinc/06/64/17/184066417.db2.gz IEWDVJOXVVAAHU-CQSZACIVSA-N 0 3 351.403 1.245 20 5 FDBDHN CC[C@H](C)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000296068005 184127241 /nfs/dbraw/zinc/12/72/41/184127241.db2.gz OLFKZINEMPTKBY-LBPRGKRZSA-N 0 3 364.402 1.678 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000297858908 184344521 /nfs/dbraw/zinc/34/45/21/184344521.db2.gz LVIYXULULQFRPT-AWEZNQCLSA-N 0 3 364.402 1.485 20 5 FDBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297906374 184353251 /nfs/dbraw/zinc/35/32/51/184353251.db2.gz PFNSWOKPUMVYFN-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN CN(C)CCOc1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000548058319 542543164 /nfs/dbraw/zinc/54/31/64/542543164.db2.gz PIDDYUXHJQXLTB-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN NC(=O)c1ccc(CN2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000172426075 258276390 /nfs/dbraw/zinc/27/63/90/258276390.db2.gz IEMPYLRRRDTDFA-UHFFFAOYSA-N 0 3 362.430 1.238 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172580345 258280063 /nfs/dbraw/zinc/28/00/63/258280063.db2.gz RCZFQHSWGJQILR-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN CCN1CCN([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000548180505 542576931 /nfs/dbraw/zinc/57/69/31/542576931.db2.gz WVNVYDNNXFJXCZ-OAHLLOKOSA-N 0 3 358.446 1.683 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1COc2ccccc2O1 ZINC000551812419 543345048 /nfs/dbraw/zinc/34/50/48/543345048.db2.gz CYQQGOOVNLUNKL-ZIAGYGMSSA-N 0 3 360.366 1.764 20 5 FDBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)NCCN1CCCCCC1 ZINC000552355815 543455294 /nfs/dbraw/zinc/45/52/94/543455294.db2.gz KAWIWUTXMMXQLP-UHFFFAOYSA-N 0 3 354.432 1.378 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553173524 543581082 /nfs/dbraw/zinc/58/10/82/543581082.db2.gz OPLHUOANKBUJHO-GOSISDBHSA-N 0 3 370.413 1.311 20 5 FDBDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538970 172267214 /nfs/dbraw/zinc/26/72/14/172267214.db2.gz PZOUEEZIHYTACK-LLVKDONJSA-N 0 3 353.404 1.050 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000176693107 174083767 /nfs/dbraw/zinc/08/37/67/174083767.db2.gz BYISYIVGFHIXGG-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580390 174195593 /nfs/dbraw/zinc/19/55/93/174195593.db2.gz YAOYNAWBNJAENE-KRWDZBQOSA-N 0 3 364.446 1.018 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000181447712 174225296 /nfs/dbraw/zinc/22/52/96/174225296.db2.gz HBHCEIIAWYVUNX-GUYCJALGSA-N 0 3 373.413 1.630 20 5 FDBDHN C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000173506737 258301218 /nfs/dbraw/zinc/30/12/18/258301218.db2.gz CJLFYWVHJZBHES-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179648329 258355537 /nfs/dbraw/zinc/35/55/37/258355537.db2.gz XYCRLSCDDVJHNB-CYBMUJFWSA-N 0 3 373.413 1.800 20 5 FDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173700145 258308409 /nfs/dbraw/zinc/30/84/09/258308409.db2.gz HEJZUSNONHJAEW-INIZCTEOSA-N 0 3 357.414 1.914 20 5 FDBDHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178828458 258336918 /nfs/dbraw/zinc/33/69/18/258336918.db2.gz UZYQHUZTANRNNO-OAHLLOKOSA-N 0 3 374.441 1.138 20 5 FDBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000278994235 258525683 /nfs/dbraw/zinc/52/56/83/258525683.db2.gz BUXDNJOCYOPEME-GJZGRUSLSA-N 0 3 367.402 1.716 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000553346650 543614808 /nfs/dbraw/zinc/61/48/08/543614808.db2.gz GFCRWPYYXOZFAE-OAHLLOKOSA-N 0 3 374.441 1.653 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCN(CC)CC2)c1 ZINC000555007192 543901322 /nfs/dbraw/zinc/90/13/22/543901322.db2.gz WHVGSYPQQAGGKG-AWEZNQCLSA-N 0 3 364.446 1.749 20 5 FDBDHN CC[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000558257547 544404869 /nfs/dbraw/zinc/40/48/69/544404869.db2.gz MGPPSANZBWXKPQ-GDBMZVCRSA-N 0 3 370.475 1.906 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000299729127 259019765 /nfs/dbraw/zinc/01/97/65/259019765.db2.gz WBQYSZTZAJAPMH-DZGCQCFKSA-N 0 3 362.430 1.949 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302699145 259044359 /nfs/dbraw/zinc/04/43/59/259044359.db2.gz WYPFJFVMBZAZIN-CYBMUJFWSA-N 0 3 374.445 1.929 20 5 FDBDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330496901 259147676 /nfs/dbraw/zinc/14/76/76/259147676.db2.gz YQMALYBSEUXMMC-UHFFFAOYSA-N 0 3 370.475 1.241 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1C ZINC000332323076 259257375 /nfs/dbraw/zinc/25/73/75/259257375.db2.gz QVKYSNJHKAICIQ-STQMWFEESA-N 0 3 350.423 1.621 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000332477197 259269255 /nfs/dbraw/zinc/26/92/55/259269255.db2.gz OFYCTIIUCNUUQY-UONOGXRCSA-N 0 3 362.434 1.304 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000367338895 260027449 /nfs/dbraw/zinc/02/74/49/260027449.db2.gz GLHAZVLMFARYMW-IBGZPJMESA-N 0 3 369.425 1.916 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000367826500 260097183 /nfs/dbraw/zinc/09/71/83/260097183.db2.gz ZKQOTVUGMUYZJB-CYBMUJFWSA-N 0 3 359.835 1.977 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000368157898 260142178 /nfs/dbraw/zinc/14/21/78/260142178.db2.gz FOBGFYIQWDBFOI-ZBFHGGJFSA-N 0 3 350.350 1.445 20 5 FDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000368384642 260174860 /nfs/dbraw/zinc/17/48/60/260174860.db2.gz JNTIDYDODSORDS-GARJFASQSA-N 0 3 370.406 1.077 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)c1 ZINC000368634600 260213515 /nfs/dbraw/zinc/21/35/15/260213515.db2.gz PTYFKSIJPKSZHP-LBPRGKRZSA-N 0 3 359.835 1.977 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000374053664 261070909 /nfs/dbraw/zinc/07/09/09/261070909.db2.gz UQMVKRYRDMZHLL-LSDHHAIUSA-N 0 3 363.414 1.652 20 5 FDBDHN CC(C)c1nccc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000374426273 261129866 /nfs/dbraw/zinc/12/98/66/261129866.db2.gz CZCVUDMMTRAEIU-INIZCTEOSA-N 0 3 374.445 1.945 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000374606396 261160953 /nfs/dbraw/zinc/16/09/53/261160953.db2.gz VJSRMKCPVJRRNM-IRXDYDNUSA-N 0 3 362.430 1.642 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCN(C)C)CC2)c1 ZINC000374827512 261205512 /nfs/dbraw/zinc/20/55/12/261205512.db2.gz HWGFYRBVILHTEH-UHFFFAOYSA-N 0 3 364.446 1.703 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000374905508 261223360 /nfs/dbraw/zinc/22/33/60/261223360.db2.gz YYUHQJYOZMYHLZ-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375024869 261250897 /nfs/dbraw/zinc/25/08/97/261250897.db2.gz YJFQBTCSJCLJQK-CXAGYDPISA-N 0 3 362.430 1.958 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000375378867 261327018 /nfs/dbraw/zinc/32/70/18/261327018.db2.gz KEPOBOZLBOCLJT-IPYPFGDCSA-N 0 3 362.434 1.763 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378369570 262011895 /nfs/dbraw/zinc/01/18/95/262011895.db2.gz KMFQBZJEMKQSRR-ZDUSSCGKSA-N 0 3 361.446 1.418 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c([N+](=O)[O-])n1 ZINC000407989271 262066512 /nfs/dbraw/zinc/06/65/12/262066512.db2.gz GTQQIMAAWFNUAA-OLZOCXBDSA-N 0 3 371.463 1.447 20 5 FDBDHN COc1ccc(NC(=O)CN2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270629223 674240249 /nfs/dbraw/zinc/24/02/49/674240249.db2.gz GFCUDMJGJCCKFG-GJZGRUSLSA-N 0 3 368.459 1.519 20 5 FDBDHN CS[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000270668822 674247661 /nfs/dbraw/zinc/24/76/61/674247661.db2.gz QSQSPMANIHTTFX-HZPDHXFCSA-N 0 3 364.471 1.461 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270903867 674284300 /nfs/dbraw/zinc/28/43/00/674284300.db2.gz SRWQMHYNOHRHCK-UHFFFAOYSA-N 0 3 356.448 1.376 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000008121804 518455619 /nfs/dbraw/zinc/45/56/19/518455619.db2.gz UPOOAHHZBHIAHD-UHFFFAOYSA-N 0 3 369.381 1.068 20 5 FDBDHN COCCN(CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026260003 519111811 /nfs/dbraw/zinc/11/18/11/519111811.db2.gz XDIOYMMNPFTAJF-UHFFFAOYSA-N 0 3 355.391 1.527 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(C)C)CC1 ZINC000027422178 519174971 /nfs/dbraw/zinc/17/49/71/519174971.db2.gz UHVPDYGALHHLSF-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069502717 521895939 /nfs/dbraw/zinc/89/59/39/521895939.db2.gz YSBYZUZBHQIYSP-ZDUSSCGKSA-N 0 3 367.402 1.209 20 5 FDBDHN COc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000069575798 521919213 /nfs/dbraw/zinc/91/92/13/521919213.db2.gz IGHPUVCODJOYHV-HNNXBMFYSA-N 0 3 365.430 1.715 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000044532865 521964303 /nfs/dbraw/zinc/96/43/03/521964303.db2.gz ZQFHRXAIYBDKPU-GFCCVEGCSA-N 0 3 374.397 1.181 20 5 FDBDHN CC(C)(C)N1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000063739827 522636665 /nfs/dbraw/zinc/63/66/65/522636665.db2.gz PHCCXTCRASWMMW-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000064333958 522702529 /nfs/dbraw/zinc/70/25/29/522702529.db2.gz FXPWUAFEPFQUQU-RYUDHWBXSA-N 0 3 365.386 1.205 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Br)cc2)c1 ZINC000048271391 522704179 /nfs/dbraw/zinc/70/41/79/522704179.db2.gz TUVDQWVLLMRURI-ZDUSSCGKSA-N 0 3 355.192 1.705 20 5 FDBDHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717168 522772453 /nfs/dbraw/zinc/77/24/53/522772453.db2.gz OZNNQGKPQHCKQE-ZDUSSCGKSA-N 0 3 372.443 1.749 20 5 FDBDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000048833669 522786875 /nfs/dbraw/zinc/78/68/75/522786875.db2.gz ZXWFSDMTFDDTDY-QGZVFWFLSA-N 0 3 370.409 1.822 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969104 522867947 /nfs/dbraw/zinc/86/79/47/522867947.db2.gz UOGTWXFYRVMGMQ-UHFFFAOYSA-N 0 3 350.419 1.816 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068080368 523684835 /nfs/dbraw/zinc/68/48/35/523684835.db2.gz OCXRCHQJYKYNRV-UHFFFAOYSA-N 0 3 360.418 1.229 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000079709659 523784923 /nfs/dbraw/zinc/78/49/23/523784923.db2.gz DYZROESOKDLWEF-UKRRQHHQSA-N 0 3 358.402 1.356 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120951384 524107623 /nfs/dbraw/zinc/10/76/23/524107623.db2.gz KIBIKVCRISIXQQ-UHFFFAOYSA-N 0 3 357.414 1.510 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110609639 524109891 /nfs/dbraw/zinc/10/98/91/524109891.db2.gz VIVWGYNGKUVNOZ-OLZOCXBDSA-N 0 3 364.402 1.393 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000110866344 524149315 /nfs/dbraw/zinc/14/93/15/524149315.db2.gz KVPNFGHTAXTYJN-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136991932 524223222 /nfs/dbraw/zinc/22/32/22/524223222.db2.gz KWNSAMKJNBTOFB-CYBMUJFWSA-N 0 3 365.455 1.893 20 5 FDBDHN COc1cc(OCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157267243 524242371 /nfs/dbraw/zinc/24/23/71/524242371.db2.gz CJNJYJUQZFXDGB-HIFRSBDPSA-N 0 3 363.414 1.925 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000111806001 524339735 /nfs/dbraw/zinc/33/97/35/524339735.db2.gz NYMLSUJEYQJZDV-MRXNPFEDSA-N 0 3 365.434 1.417 20 5 FDBDHN COc1cccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000158837087 524538609 /nfs/dbraw/zinc/53/86/09/524538609.db2.gz WALIYQQIYCLVEB-CQSZACIVSA-N 0 3 359.386 1.893 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000122471386 524546096 /nfs/dbraw/zinc/54/60/96/524546096.db2.gz GCOKUEZWQVJOCN-HNNXBMFYSA-N 0 3 364.446 1.363 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000122694874 524593450 /nfs/dbraw/zinc/59/34/50/524593450.db2.gz DSCVWNHQGQVNCW-CHWSQXEVSA-N 0 3 358.402 1.730 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000151630643 524636426 /nfs/dbraw/zinc/63/64/26/524636426.db2.gz NNNXUNHVGZBHHS-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000123079472 524675394 /nfs/dbraw/zinc/67/53/94/524675394.db2.gz CVGRSKPIWMUHQL-UHFFFAOYSA-N 0 3 365.434 1.753 20 5 FDBDHN CCO[C@H]1C[C@H](O)C12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000159846360 524751511 /nfs/dbraw/zinc/75/15/11/524751511.db2.gz MAOCJELHDVZAKK-GJZGRUSLSA-N 0 3 351.403 1.008 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152220512 524817311 /nfs/dbraw/zinc/81/73/11/524817311.db2.gz GHRHPFZXVJJWSK-GXTWGEPZSA-N 0 3 361.406 1.027 20 5 FDBDHN COCCCN(C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000152403170 524875752 /nfs/dbraw/zinc/87/57/52/524875752.db2.gz LIAULJMERUSKLZ-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN CCN(CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C1CC1 ZINC000152463064 524896383 /nfs/dbraw/zinc/89/63/83/524896383.db2.gz CUDSWPIVWQQDGY-UHFFFAOYSA-N 0 3 356.448 1.741 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000124099426 524900952 /nfs/dbraw/zinc/90/09/52/524900952.db2.gz VDDSXXJXVPWNFU-UHFFFAOYSA-N 0 3 363.393 1.980 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000115585730 525029116 /nfs/dbraw/zinc/02/91/16/525029116.db2.gz HRGKKCJMJYGVKX-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN Cc1sc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000152984991 525067550 /nfs/dbraw/zinc/06/75/50/525067550.db2.gz UPBFJPCRZXSLCW-LBPRGKRZSA-N 0 3 366.443 1.343 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000161659364 525146205 /nfs/dbraw/zinc/14/62/05/525146205.db2.gz ZYVRFINRKSVUHB-HNNXBMFYSA-N 0 3 371.459 1.274 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000162028572 525202940 /nfs/dbraw/zinc/20/29/40/525202940.db2.gz MSFGHYBPMCIDNJ-HNNXBMFYSA-N 0 3 353.444 1.637 20 5 FDBDHN C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000153483869 525226286 /nfs/dbraw/zinc/22/62/86/525226286.db2.gz IEWXIYAVFLVQJG-NEPJUHHUSA-N 0 3 368.459 1.882 20 5 FDBDHN C[C@@H](C[S@](C)=O)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126529463 525322320 /nfs/dbraw/zinc/32/23/20/525322320.db2.gz JYUAPGXKONJYFJ-APXPCNQMSA-N 0 3 355.416 1.592 20 5 FDBDHN COC(=O)[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000117338573 525323139 /nfs/dbraw/zinc/32/31/39/525323139.db2.gz LIPDIPKIICGOBS-LBPRGKRZSA-N 0 3 363.370 1.778 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163606216 525428752 /nfs/dbraw/zinc/42/87/52/525428752.db2.gz KJJJRFWLGOHAGK-HIFRSBDPSA-N 0 3 355.460 1.739 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1cccs1)N1CCCC1 ZINC000129174861 525625301 /nfs/dbraw/zinc/62/53/01/525625301.db2.gz WGMJQIJRUZRSHG-LLVKDONJSA-N 0 3 350.404 1.201 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106961864 525834075 /nfs/dbraw/zinc/83/40/75/525834075.db2.gz AQCTZRFBANAIJV-AWEZNQCLSA-N 0 3 360.414 1.975 20 5 FDBDHN CN1CCC[C@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108449772 525969253 /nfs/dbraw/zinc/96/92/53/525969253.db2.gz MVRLEYDZYJBOFY-JTQLQIEISA-N 0 3 354.794 1.188 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn1 ZINC000120235986 526003692 /nfs/dbraw/zinc/00/36/92/526003692.db2.gz JARXMOARDHBYIT-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2ccnn2)cc1 ZINC000182010044 526017716 /nfs/dbraw/zinc/01/77/16/526017716.db2.gz MUJHAWCKHKHCRQ-CYBMUJFWSA-N 0 3 354.370 1.688 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182126976 526063757 /nfs/dbraw/zinc/06/37/57/526063757.db2.gz BQUXXQOSMBKRTG-UHFFFAOYSA-N 0 3 366.849 1.988 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134596917 526168906 /nfs/dbraw/zinc/16/89/06/526168906.db2.gz CZYWOAHZEYUIET-AWEZNQCLSA-N 0 3 373.457 1.761 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183559159 536003727 /nfs/dbraw/zinc/00/37/27/536003727.db2.gz KHGQZMBJBSRKAL-AWEZNQCLSA-N 0 3 362.434 1.624 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183607664 536013961 /nfs/dbraw/zinc/01/39/61/536013961.db2.gz KLDIYBTZVLSBCJ-CYBMUJFWSA-N 0 3 350.423 1.385 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000184483462 536156706 /nfs/dbraw/zinc/15/67/06/536156706.db2.gz XFVXLZGFEVWQKV-STQMWFEESA-N 0 3 350.419 1.796 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000184698365 536176818 /nfs/dbraw/zinc/17/68/18/536176818.db2.gz VOYWFNONWYGRMR-ZFWWWQNUSA-N 0 3 353.444 1.841 20 5 FDBDHN CCN1CCN(CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186017171 536223679 /nfs/dbraw/zinc/22/36/79/536223679.db2.gz AIMQEYHDDKMBPT-UHFFFAOYSA-N 0 3 354.838 1.892 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000186358479 536233050 /nfs/dbraw/zinc/23/30/50/536233050.db2.gz JBQZJCSLIFLEHB-JTQLQIEISA-N 0 3 373.406 1.505 20 5 FDBDHN O=C(CCN1CCC[C@@H](OCCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189013896 536985679 /nfs/dbraw/zinc/98/56/79/536985679.db2.gz DKYNVEIRVNIBLU-CYBMUJFWSA-N 0 3 355.366 1.536 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189083949 536994362 /nfs/dbraw/zinc/99/43/62/536994362.db2.gz KOCKGTBRIASDHT-ZDUSSCGKSA-N 0 3 368.459 1.568 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000246837106 537036513 /nfs/dbraw/zinc/03/65/13/537036513.db2.gz AKLQYLUBOHANRT-WCQYABFASA-N 0 3 357.432 1.564 20 5 FDBDHN Cc1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000263659056 537055842 /nfs/dbraw/zinc/05/58/42/537055842.db2.gz CAFYBNLAFKFEDK-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000246951579 537057607 /nfs/dbraw/zinc/05/76/07/537057607.db2.gz ICYDPCZOMNYIBK-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000263873644 537124353 /nfs/dbraw/zinc/12/43/53/537124353.db2.gz USPCQGLYXJVXMA-PBHICJAKSA-N 0 3 374.441 1.800 20 5 FDBDHN CC(C)N1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000263907819 537131208 /nfs/dbraw/zinc/13/12/08/537131208.db2.gz IHOUFEGJWRDSSU-UHFFFAOYSA-N 0 3 374.397 1.134 20 5 FDBDHN Nc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000265796051 537173231 /nfs/dbraw/zinc/17/32/31/537173231.db2.gz PJCBSTYFDMRZGT-KBPBESRZSA-N 0 3 358.402 1.262 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000248972727 537223410 /nfs/dbraw/zinc/22/34/10/537223410.db2.gz DKYMBYMKBAHQEP-WQVCFCJDSA-N 0 3 368.340 1.550 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193640823 537253337 /nfs/dbraw/zinc/25/33/37/537253337.db2.gz RXZWVWPNKXLQBR-INIZCTEOSA-N 0 3 372.429 1.699 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000298777807 537311603 /nfs/dbraw/zinc/31/16/03/537311603.db2.gz XVIRVRDRYLLGFC-CQSZACIVSA-N 0 3 362.430 1.950 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270813191 537381779 /nfs/dbraw/zinc/38/17/79/537381779.db2.gz HIKGPOMOAINGRD-HUUCEWRRSA-N 0 3 358.398 1.536 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000237741388 537638944 /nfs/dbraw/zinc/63/89/44/537638944.db2.gz ZJHOTGITPAXUBQ-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN COCCNCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418505507 538093763 /nfs/dbraw/zinc/09/37/63/538093763.db2.gz FOSPXSFXYWMGQQ-UHFFFAOYSA-N 0 3 366.418 1.384 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000432282995 538132924 /nfs/dbraw/zinc/13/29/24/538132924.db2.gz DUHNCLAUWJZRCP-UHFFFAOYSA-N 0 3 358.358 1.169 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000440045572 538211341 /nfs/dbraw/zinc/21/13/41/538211341.db2.gz BCUVGZXCVXVQNE-NWDGAFQWSA-N 0 3 364.402 1.531 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000440066634 538213755 /nfs/dbraw/zinc/21/37/55/538213755.db2.gz XPGHUAAZNSQUJP-AWEZNQCLSA-N 0 3 364.402 1.388 20 5 FDBDHN O=C1CCN1c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000563002256 546350010 /nfs/dbraw/zinc/35/00/10/546350010.db2.gz FKLLHOKVLQRWGB-INIZCTEOSA-N 0 3 371.393 1.861 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000564016835 546775495 /nfs/dbraw/zinc/77/54/95/546775495.db2.gz AHTLBVCJYMXNNU-INIZCTEOSA-N 0 3 374.441 1.606 20 5 FDBDHN Cc1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(C)cc1[N+](=O)[O-] ZINC000564429919 546911499 /nfs/dbraw/zinc/91/14/99/546911499.db2.gz HQCFOYSUXURWHU-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000564587370 546964706 /nfs/dbraw/zinc/96/47/06/546964706.db2.gz WBZLBAFRWJSUKE-LBPRGKRZSA-N 0 3 366.393 1.909 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CCN(c2ncccn2)CC1 ZINC000565784278 547480363 /nfs/dbraw/zinc/48/03/63/547480363.db2.gz HMOUHHFIZARUBE-QGZVFWFLSA-N 0 3 368.441 1.784 20 5 FDBDHN COc1cccc(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000565989512 547556220 /nfs/dbraw/zinc/55/62/20/547556220.db2.gz BTUQCCODDMUJQQ-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CC(C)(C)N1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567042638 547974194 /nfs/dbraw/zinc/97/41/94/547974194.db2.gz PBNCAYJZAMXAPV-JSGCOSHPSA-N 0 3 351.403 1.324 20 5 FDBDHN NC(=O)c1ccnc(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000567657576 548197876 /nfs/dbraw/zinc/19/78/76/548197876.db2.gz YEOMJGVRMPAPQU-CYBMUJFWSA-N 0 3 363.418 1.170 20 5 FDBDHN CC(C)[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000569865700 549076451 /nfs/dbraw/zinc/07/64/51/549076451.db2.gz PGVDBDMVALPPHJ-INIZCTEOSA-N 0 3 374.445 2.042 20 5 FDBDHN C[C@H](CN1CCCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572952929 550030945 /nfs/dbraw/zinc/03/09/45/550030945.db2.gz RHJRUEDURNTJJM-CQSZACIVSA-N 0 3 355.460 1.833 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@]1(O)CN2CCC1CC2 ZINC000573996327 550244641 /nfs/dbraw/zinc/24/46/41/550244641.db2.gz ZCJJCGPWHLITJQ-INIZCTEOSA-N 0 3 353.806 1.364 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(NCCCCN2CCN(CCO)CC2)c1 ZINC000575140321 550433611 /nfs/dbraw/zinc/43/36/11/550433611.db2.gz POHRWWPJKVNFLX-UHFFFAOYSA-N 0 3 352.435 1.405 20 5 FDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575752678 550472268 /nfs/dbraw/zinc/47/22/68/550472268.db2.gz OGZLOOBTMLAAOQ-PWSUYJOCSA-N 0 3 353.375 1.649 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000576927003 550600731 /nfs/dbraw/zinc/60/07/31/550600731.db2.gz CVFYMLRKYLKQHV-CQSZACIVSA-N 0 3 350.419 1.895 20 5 FDBDHN Cc1sc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000576988177 550608185 /nfs/dbraw/zinc/60/81/85/550608185.db2.gz JJZFWQDZDYWJTA-NSHDSACASA-N 0 3 350.404 1.492 20 5 FDBDHN CN(C)C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000580335059 550968797 /nfs/dbraw/zinc/96/87/97/550968797.db2.gz DBWFAEILQQQBFN-LBPRGKRZSA-N 0 3 366.809 1.301 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000589513663 551734366 /nfs/dbraw/zinc/73/43/66/551734366.db2.gz NUFODNOPMFBBQU-ZDUSSCGKSA-N 0 3 365.430 1.658 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210287 551764779 /nfs/dbraw/zinc/76/47/79/551764779.db2.gz MYQHDXYSSOXGCV-ZWKOTPCHSA-N 0 3 363.414 1.751 20 5 FDBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000590550868 551791331 /nfs/dbraw/zinc/79/13/31/551791331.db2.gz SSNOGVSGRXKVTA-IAGOWNOFSA-N 0 3 371.397 1.062 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590563210 551792691 /nfs/dbraw/zinc/79/26/91/551792691.db2.gz SMBWNDAPTDSYBS-UHFFFAOYSA-N 0 3 360.458 1.839 20 5 FDBDHN COC(=O)c1ccnc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590587176 551794949 /nfs/dbraw/zinc/79/49/49/551794949.db2.gz WYANUKQYZNBROA-BETUJISGSA-N 0 3 366.418 2.078 20 5 FDBDHN CC(C)(CO)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000590695527 551806187 /nfs/dbraw/zinc/80/61/87/551806187.db2.gz QZLAONCJEYYJRN-UHFFFAOYSA-N 0 3 373.413 1.514 20 5 FDBDHN NCc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000591309736 551860570 /nfs/dbraw/zinc/86/05/70/551860570.db2.gz CIQPLZKKRUWZGN-UHFFFAOYSA-N 0 3 356.386 1.803 20 5 FDBDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000591910440 551915740 /nfs/dbraw/zinc/91/57/40/551915740.db2.gz CVPCLYOTROBODV-OLZOCXBDSA-N 0 3 363.418 1.417 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592103924 551942285 /nfs/dbraw/zinc/94/22/85/551942285.db2.gz NWVTZBRJUKVACM-UHFFFAOYSA-N 0 3 355.416 1.080 20 5 FDBDHN CC(C)(C)OC(=O)C1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592157247 551951633 /nfs/dbraw/zinc/95/16/33/551951633.db2.gz QCCUMDDJDAFOFY-AWEZNQCLSA-N 0 3 368.434 1.596 20 5 FDBDHN CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@]1(O)CCOC1 ZINC000592375000 551985764 /nfs/dbraw/zinc/98/57/64/551985764.db2.gz PBIKGJQQTOVLLJ-QGZVFWFLSA-N 0 3 352.387 1.633 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898614 552040456 /nfs/dbraw/zinc/04/04/56/552040456.db2.gz JYZZSGFBHHAGRU-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898614 552040457 /nfs/dbraw/zinc/04/04/57/552040457.db2.gz JYZZSGFBHHAGRU-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000593905406 552222694 /nfs/dbraw/zinc/22/26/94/552222694.db2.gz FPQCECYBEYQSBM-OCCSQVGLSA-N 0 3 357.414 1.970 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594327931 552289271 /nfs/dbraw/zinc/28/92/71/552289271.db2.gz XWQIVGGGZFOFSU-HUUCEWRRSA-N 0 3 360.414 1.975 20 5 FDBDHN Nc1nccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000594370145 552297376 /nfs/dbraw/zinc/29/73/76/552297376.db2.gz WHZDSUCMIKPIRL-GOEBONIOSA-N 0 3 367.409 1.919 20 5 FDBDHN Cn1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594613784 552340560 /nfs/dbraw/zinc/34/05/60/552340560.db2.gz UVTKQSPPMYSJGT-DLBZAZTESA-N 0 3 357.414 1.246 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCNC2(CCCCC2)C1 ZINC000594628909 552345756 /nfs/dbraw/zinc/34/57/56/552345756.db2.gz PAZNTNXPGIOOHK-UHFFFAOYSA-N 0 3 374.441 1.849 20 5 FDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594711208 552361248 /nfs/dbraw/zinc/36/12/48/552361248.db2.gz OIPMHVXIAWIXIU-IUODEOHRSA-N 0 3 351.403 1.953 20 5 FDBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595121303 552458008 /nfs/dbraw/zinc/45/80/08/552458008.db2.gz NYDQIYKQJSHPCT-SNVBAGLBSA-N 0 3 359.404 1.018 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000595412174 552554169 /nfs/dbraw/zinc/55/41/69/552554169.db2.gz VFVLGQFUUPXYIH-CQSZACIVSA-N 0 3 353.444 1.995 20 5 FDBDHN CCc1ccc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596051028 552650103 /nfs/dbraw/zinc/65/01/03/552650103.db2.gz KXHVYJNWWAOTQY-LLVKDONJSA-N 0 3 355.338 1.667 20 5 FDBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596051029 552650169 /nfs/dbraw/zinc/65/01/69/552650169.db2.gz KXHVYJNWWAOTQY-NSHDSACASA-N 0 3 355.338 1.667 20 5 FDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000596053378 552650534 /nfs/dbraw/zinc/65/05/34/552650534.db2.gz YYQGGDSLVLCAIU-LLVKDONJSA-N 0 3 355.338 1.289 20 5 FDBDHN O=[N+]([O-])c1cncc(Br)c1NCCCN1CCC(O)CC1 ZINC000596085970 552653722 /nfs/dbraw/zinc/65/37/22/552653722.db2.gz QTKOAJYNFAWYFL-UHFFFAOYSA-N 0 3 359.224 1.433 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H](C)O1 ZINC000596156404 552660809 /nfs/dbraw/zinc/66/08/09/552660809.db2.gz PDHRSDCZSRAFTE-CHWSQXEVSA-N 0 3 350.419 1.995 20 5 FDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1N1CCCC1 ZINC000596195588 552663711 /nfs/dbraw/zinc/66/37/11/552663711.db2.gz NVEABIJCVIDJFO-CABCVRRESA-N 0 3 350.444 1.710 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000596356809 552675501 /nfs/dbraw/zinc/67/55/01/552675501.db2.gz KYDLNQDCBICNQB-HOTGVXAUSA-N 0 3 350.419 1.234 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596441102 552679647 /nfs/dbraw/zinc/67/96/47/552679647.db2.gz NKCYRMCVZZPUDI-UHFFFAOYSA-N 0 3 370.413 1.808 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597652913 552818087 /nfs/dbraw/zinc/81/80/87/552818087.db2.gz FVJMCXYWLPIJJF-OAHLLOKOSA-N 0 3 373.409 1.826 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598536762 552907036 /nfs/dbraw/zinc/90/70/36/552907036.db2.gz WDEAZKVJLFRRNL-ZDUSSCGKSA-N 0 3 350.419 1.649 20 5 FDBDHN COC(=O)c1ccnc(NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000598620910 552916705 /nfs/dbraw/zinc/91/67/05/552916705.db2.gz PVNCJDWCVIQFNO-GFCCVEGCSA-N 0 3 352.391 1.689 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893966 552940271 /nfs/dbraw/zinc/94/02/71/552940271.db2.gz HTFNYQYPVITBFG-ZDUSSCGKSA-N 0 3 363.418 1.707 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217460 552990000 /nfs/dbraw/zinc/99/00/00/552990000.db2.gz FWSWOQNTFFAXJR-FRRDWIJNSA-N 0 3 371.463 1.354 20 5 FDBDHN CN(CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000599226435 552993349 /nfs/dbraw/zinc/99/33/49/552993349.db2.gz XRXYKMAIFDVLMN-UHFFFAOYSA-N 0 3 359.452 1.213 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585287 553095918 /nfs/dbraw/zinc/09/59/18/553095918.db2.gz FAANAVNMAJBWLX-SNPRPXQTSA-N 0 3 368.434 1.452 20 5 FDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938505 553178084 /nfs/dbraw/zinc/17/80/84/553178084.db2.gz CCQQKOXGBOWTKA-HUUCEWRRSA-N 0 3 371.397 1.266 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CCN1 ZINC000600119835 553221267 /nfs/dbraw/zinc/22/12/67/553221267.db2.gz VHIYUHJGRHDZLJ-OAHLLOKOSA-N 0 3 361.377 1.990 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCC1 ZINC000600470185 553273068 /nfs/dbraw/zinc/27/30/68/553273068.db2.gz HKNWUAKIOYOPHY-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN COC(=O)[C@@](C)(NC(=O)CC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600540197 553282421 /nfs/dbraw/zinc/28/24/21/553282421.db2.gz FCEODCRSTDASBL-SFHVURJKSA-N 0 3 363.414 1.831 20 5 FDBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600753298 553311536 /nfs/dbraw/zinc/31/15/36/553311536.db2.gz AQMWKLNORQOCTC-DYVFJYSZSA-N 0 3 371.393 1.751 20 5 FDBDHN COCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601110697 553348194 /nfs/dbraw/zinc/34/81/94/553348194.db2.gz KUPNGDNDLRAVEF-SECBINFHSA-N 0 3 351.329 1.870 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601335578 553378363 /nfs/dbraw/zinc/37/83/63/553378363.db2.gz VGAVKTVYGAEDSW-CQSZACIVSA-N 0 3 364.377 1.113 20 5 FDBDHN CN1CCC2(CC1)CC(=O)NN(c1ccc([N+](=O)[O-])cc1Cl)C2=O ZINC000601937067 553494600 /nfs/dbraw/zinc/49/46/00/553494600.db2.gz BDZIEBOQBFYAET-UHFFFAOYSA-N 0 3 352.778 1.728 20 5 FDBDHN CCOc1cc(N2CCN(C[C@]3(OC)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000602638562 553615982 /nfs/dbraw/zinc/61/59/82/553615982.db2.gz PLYRQIGQDVDELI-GOSISDBHSA-N 0 3 365.430 1.921 20 5 FDBDHN O=C1[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]2CCCCN12 ZINC000602689782 553622878 /nfs/dbraw/zinc/62/28/78/553622878.db2.gz YZVBXFHGWOJDRH-GOEBONIOSA-N 0 3 359.430 1.702 20 5 FDBDHN O=[N+]([O-])c1sc(CN[C@H]2CCc3nnnn3CC2)cc1Br ZINC000602693316 553623620 /nfs/dbraw/zinc/62/36/20/553623620.db2.gz FQGZRGDMJVIWAW-ZETCQYMHSA-N 0 3 373.236 1.900 20 5 FDBDHN COc1ccc(CN(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000604528430 553884417 /nfs/dbraw/zinc/88/44/17/553884417.db2.gz FRINGCSPMNNTFZ-UHFFFAOYSA-N 0 3 360.370 1.465 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197407 554614386 /nfs/dbraw/zinc/61/43/86/554614386.db2.gz BDUXJBSDPZETMY-UHFFFAOYSA-N 0 3 373.413 1.777 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611462220 554635719 /nfs/dbraw/zinc/63/57/19/554635719.db2.gz DYBUWFDJTCARCF-HNNXBMFYSA-N 0 3 374.441 1.646 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CN1CCOCC1)c1ccccc1 ZINC000611772993 554679053 /nfs/dbraw/zinc/67/90/53/554679053.db2.gz OOASPIVAHKNZNF-QGZVFWFLSA-N 0 3 359.430 1.763 20 5 FDBDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065573 554729226 /nfs/dbraw/zinc/72/92/26/554729226.db2.gz BYVBFVAHUUDTNL-UONOGXRCSA-N 0 3 352.387 1.752 20 5 FDBDHN C[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617716957 555492994 /nfs/dbraw/zinc/49/29/94/555492994.db2.gz BHAOXVUZAQHMRL-SUMWQHHRSA-N 0 3 374.441 1.639 20 5 FDBDHN O=C1C[C@@]2(CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000619057087 555717881 /nfs/dbraw/zinc/71/78/81/555717881.db2.gz VLBNDRJPGBIQPY-KRWDZBQOSA-N 0 3 360.370 1.105 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000619486580 555786451 /nfs/dbraw/zinc/78/64/51/555786451.db2.gz GVUZCNQVZDIRNW-CHWSQXEVSA-N 0 3 371.459 1.954 20 5 FDBDHN NS(=O)(=O)c1cccc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000272516553 674452980 /nfs/dbraw/zinc/45/29/80/674452980.db2.gz NHHWYTVDGGXJMV-UHFFFAOYSA-N 0 3 354.432 1.307 20 5 FDBDHN C[NH+](C)CCN1CCC(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272576810 674458158 /nfs/dbraw/zinc/45/81/58/674458158.db2.gz SXUGQPOUMIMXKF-UHFFFAOYSA-N 0 3 350.419 1.304 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000738361084 599489288 /nfs/dbraw/zinc/48/92/88/599489288.db2.gz ULDREEGHHXOOSF-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000738361084 599489291 /nfs/dbraw/zinc/48/92/91/599489291.db2.gz ULDREEGHHXOOSF-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369353 599531246 /nfs/dbraw/zinc/53/12/46/599531246.db2.gz LRMILYTXADSOFC-GFCCVEGCSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369353 599531248 /nfs/dbraw/zinc/53/12/48/599531248.db2.gz LRMILYTXADSOFC-GFCCVEGCSA-N 0 3 358.406 1.625 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272829175 674478622 /nfs/dbraw/zinc/47/86/22/674478622.db2.gz JXMUGYHSHRIZHZ-UHFFFAOYSA-N 0 3 372.809 1.223 20 5 FDBDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124311247 671735826 /nfs/dbraw/zinc/73/58/26/671735826.db2.gz ZHSAXOBWWBKVDY-UHFFFAOYSA-N 0 3 354.794 1.741 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246121678 672493615 /nfs/dbraw/zinc/49/36/15/672493615.db2.gz JBBVVEFDZVQFGS-DGCLKSJQSA-N 0 3 357.432 1.564 20 5 FDBDHN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000288918928 676072214 /nfs/dbraw/zinc/07/22/14/676072214.db2.gz UXBCIMMRHHKUQD-GJZGRUSLSA-N 0 3 354.794 1.783 20 5 FDBDHN CC(C)(C)OC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266565704 673148604 /nfs/dbraw/zinc/14/86/04/673148604.db2.gz ZMXQWBHXTQSJMY-CQSZACIVSA-N 0 3 354.407 1.206 20 5 FDBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000376356301 678284762 /nfs/dbraw/zinc/28/47/62/678284762.db2.gz YLHAKBNDWNDZSJ-XJKSGUPXSA-N 0 3 353.444 1.983 20 5 FDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413504878 679275234 /nfs/dbraw/zinc/27/52/34/679275234.db2.gz UPYVDGGBJMJESM-SNVBAGLBSA-N 0 3 359.329 1.737 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000414996293 679376728 /nfs/dbraw/zinc/37/67/28/679376728.db2.gz GKVDINCBRDSWDY-CYBMUJFWSA-N 0 3 359.329 1.233 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420639039 680497022 /nfs/dbraw/zinc/49/70/22/680497022.db2.gz QYMRXVMUVPLVLS-LBPRGKRZSA-N 0 3 356.448 1.376 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000475111284 685559747 /nfs/dbraw/zinc/55/97/47/685559747.db2.gz DCIVOGSFDOOEGF-OAHLLOKOSA-N 0 3 352.387 1.882 20 5 FDBDHN COC(=O)COc1ccc(CN(CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000475121470 685561414 /nfs/dbraw/zinc/56/14/14/685561414.db2.gz SSYSDDLBFGQUDU-UHFFFAOYSA-N 0 3 352.387 1.882 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000475700481 685629077 /nfs/dbraw/zinc/62/90/77/685629077.db2.gz JMXSWYIORHQRTK-JSGCOSHPSA-N 0 3 352.387 1.882 20 5 FDBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485174454 686690907 /nfs/dbraw/zinc/69/09/07/686690907.db2.gz QQRHMWHXHYKFKA-UHFFFAOYSA-N 0 3 358.240 1.802 20 5 FDBDHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512812365 689641899 /nfs/dbraw/zinc/64/18/99/689641899.db2.gz SPDJNDNDKVMLTB-VIFPVBQESA-N 0 3 357.388 1.381 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000537925854 694910133 /nfs/dbraw/zinc/91/01/33/694910133.db2.gz XPSNULHLRKELIZ-DZGCQCFKSA-N 0 3 353.444 1.868 20 5 FDBDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620192 719132162 /nfs/dbraw/zinc/13/21/62/719132162.db2.gz HSMMXLNOAZNMOW-VIFPVBQESA-N 0 3 350.709 1.139 20 5 FDBDHN COC(=O)Nc1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000780864875 782253332 /nfs/dbraw/zinc/25/33/32/782253332.db2.gz HLVVDWVATVVBNM-UHFFFAOYSA-N 0 3 374.419 1.392 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478452522 782710607 /nfs/dbraw/zinc/71/06/07/782710607.db2.gz BLEYZLSTEWHLTN-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000275957770 774760578 /nfs/dbraw/zinc/76/05/78/774760578.db2.gz CASRJEINDVGHSU-LLVKDONJSA-N 0 3 362.386 1.309 20 5 FDBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000933244442 776325180 /nfs/dbraw/zinc/32/51/80/776325180.db2.gz RMQMSINJOFWHHS-SJORKVTESA-N 0 3 351.447 1.997 20 5 FDBDHN Cc1noc(C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000277270345 781276644 /nfs/dbraw/zinc/27/66/44/781276644.db2.gz ROUUDWAVHVEDGK-CVEARBPZSA-N 0 3 372.385 1.417 20 5 FDBDHN CC(COC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[N+](=O)[O-] ZINC000893047549 792651638 /nfs/dbraw/zinc/65/16/38/792651638.db2.gz NHNJDPYBGQVLJC-HQJQHLMTSA-N 0 3 358.144 1.739 20 5 FDBDHN CC[C@@H](C)N[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000500141449 795534129 /nfs/dbraw/zinc/53/41/29/795534129.db2.gz NGVGFWGNNMHYJD-TZMCWYRMSA-N 0 3 364.406 1.813 20 5 FDBDHN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(C2CCCC2)CC1 ZINC000026627772 800764828 /nfs/dbraw/zinc/76/48/28/800764828.db2.gz DGIGGQGFRGAJFS-UHFFFAOYSA-N 0 3 358.398 1.709 20 5 FDBDHN Cn1c2ccccc2c(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1=O ZINC000893685033 808899882 /nfs/dbraw/zinc/89/98/82/808899882.db2.gz IRAHRYTXJAJTCH-UHFFFAOYSA-N 0 3 373.457 1.885 20 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ZINC000519716713 819017353 /nfs/dbraw/zinc/01/73/53/819017353.db2.gz WKSZJFBOXLEINZ-JSGCOSHPSA-N 0 3 360.414 1.276 20 5 FDBDHN CCOC(=O)c1ccnc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281591276 826088056 /nfs/dbraw/zinc/08/80/56/826088056.db2.gz GYUADOCOMOLYTO-UHFFFAOYSA-N 0 3 365.434 1.604 20 5 FDBDHN CN1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(C)C ZINC000281623991 826117633 /nfs/dbraw/zinc/11/76/33/826117633.db2.gz KMLOLEBPHUDGLM-UHFFFAOYSA-N 0 3 361.446 1.917 20 5 FDBDHN COc1cc(CN[C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449745215 829638914 /nfs/dbraw/zinc/63/89/14/829638914.db2.gz LXKDVAONYYWDKL-GXSJLCMTSA-N 0 3 373.356 1.991 20 5 FDBDHN CNc1nc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000453148239 830876628 /nfs/dbraw/zinc/87/66/28/830876628.db2.gz JRXGSWHUXIXKMF-AOOOYVTPSA-N 0 3 357.374 1.937 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000476037736 839474093 /nfs/dbraw/zinc/47/40/93/839474093.db2.gz APYODYBMXUEULU-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN Cn1nnnc1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000898037733 840716379 /nfs/dbraw/zinc/71/63/79/840716379.db2.gz VKWRAHXYKDBYSJ-UHFFFAOYSA-N 0 3 361.225 1.665 20 5 FDBDHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000483179592 849345960 /nfs/dbraw/zinc/34/59/60/849345960.db2.gz ONBRTYJKYQTOPF-UHFFFAOYSA-N 0 3 372.385 1.268 20 5 FDBDHN CNC(=O)C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483425251 849565273 /nfs/dbraw/zinc/56/52/73/849565273.db2.gz HMISTVYDQASPFN-HZPDHXFCSA-N 0 3 373.409 1.802 20 5 FDBDHN CNC(=O)C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000483425972 849565541 /nfs/dbraw/zinc/56/55/41/849565541.db2.gz ZNFSHLIEYAZONJ-AEFFLSMTSA-N 0 3 373.409 1.802 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCO)C2CCN(C)CC2)c1 ZINC000911934612 859159043 /nfs/dbraw/zinc/15/90/43/859159043.db2.gz IQCNVNBTYQSWGU-UHFFFAOYSA-N 0 3 365.430 1.587 20 5 FDBDHN C[C@H](C(=O)N(CCO)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000911941208 859170348 /nfs/dbraw/zinc/17/03/48/859170348.db2.gz INUMMTWDCRDAAH-LBPRGKRZSA-N 0 3 353.394 1.753 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000912602352 859943082 /nfs/dbraw/zinc/94/30/82/859943082.db2.gz YMARJWQYFBWAIE-UHFFFAOYSA-N 0 3 360.208 1.353 20 5 FDBDHN CCN1CCN(CC(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000456903342 867174736 /nfs/dbraw/zinc/17/47/36/867174736.db2.gz QVAKGECPYDZZNN-UHFFFAOYSA-N 0 3 362.474 1.978 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@H]2C1 ZINC000272699159 879880166 /nfs/dbraw/zinc/88/01/66/879880166.db2.gz YGYPPZZRIIBNKI-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN O=C(N[C@H]1CC[C@H](NCc2nc(CC3CC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645259 884606745 /nfs/dbraw/zinc/60/67/45/884606745.db2.gz QETHUDZCOHRABG-AAVRWANBSA-N 0 3 363.418 1.204 20 5 FDBDHN COc1nccc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001034816644 885149037 /nfs/dbraw/zinc/14/90/37/885149037.db2.gz STAMDSGFUXTMMX-HZPDHXFCSA-N 0 3 371.397 1.056 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272798626 888188947 /nfs/dbraw/zinc/18/89/47/888188947.db2.gz UQDJIPSCNSGIEW-STQMWFEESA-N 0 3 360.414 1.480 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000272847541 892118236 /nfs/dbraw/zinc/11/82/36/892118236.db2.gz HKCPGBKHDZXDHT-OLZOCXBDSA-N 0 3 362.386 1.237 20 5 FDBDHN Cn1ccnc1[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376430666 901375556 /nfs/dbraw/zinc/37/55/56/901375556.db2.gz YMGXFWYDEULDNB-HUUCEWRRSA-N 0 3 360.414 1.948 20 5 FDBDHN CNC(=O)c1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000743837790 926473652 /nfs/dbraw/zinc/47/36/52/926473652.db2.gz IKKQJZHLFKPZCT-QGZVFWFLSA-N 0 3 373.413 1.176 20 5 FDBDHN O=C(NC[C@H]1C[C@H](NCc2nc(-c3ccccc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363128 926829394 /nfs/dbraw/zinc/82/93/94/926829394.db2.gz CUKLRZOHQHJXIH-NMFUWQPSSA-N 0 3 371.397 1.386 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)C1 ZINC001169036588 928232452 /nfs/dbraw/zinc/23/24/52/928232452.db2.gz GWFFMKPXDHCXTM-HOTGVXAUSA-N 0 3 360.462 1.644 20 5 FDBDHN COC(=O)C(C(=O)OC)c1cc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169237517 928365807 /nfs/dbraw/zinc/36/58/07/928365807.db2.gz NFOORJWEEHZNCS-SECBINFHSA-N 0 3 362.342 1.230 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000771780906 930881684 /nfs/dbraw/zinc/88/16/84/930881684.db2.gz QLAPRSBEKUOPNA-HNNXBMFYSA-N 0 3 363.370 1.412 20 5 FDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)N1CCOCC1 ZINC000786810877 932048239 /nfs/dbraw/zinc/04/82/39/932048239.db2.gz BOTYPCVVFRTHPK-KAMYIIQDSA-N 0 3 369.443 1.250 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000822879050 945281344 /nfs/dbraw/zinc/28/13/44/945281344.db2.gz PJLPELIZRHHISX-GHMZBOCLSA-N 0 3 353.350 1.336 20 5 FDBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001132750217 941117744 /nfs/dbraw/zinc/11/77/44/941117744.db2.gz FFBFICZXUARIJO-UONOGXRCSA-N 0 3 374.401 1.406 20 5 FDBDHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102460 941325833 /nfs/dbraw/zinc/32/58/33/941325833.db2.gz FTOAUWOZXGRLBQ-TZMCWYRMSA-N 0 3 350.371 1.898 20 5 FDBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813104079 941326593 /nfs/dbraw/zinc/32/65/93/941326593.db2.gz JOIVLSBXGMOJHU-RQJHMYQMSA-N 0 3 365.205 1.837 20 5 FDBDHN CC(COC(=O)Cc1cc2c(cc1Br)OCCO2)[N+](=O)[O-] ZINC000813109895 941334311 /nfs/dbraw/zinc/33/43/11/941334311.db2.gz QBFUHWGLPQEKJA-MRVPVSSYSA-N 0 3 360.160 1.971 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813112787 941335783 /nfs/dbraw/zinc/33/57/83/941335783.db2.gz LHKHFQWRCYLYAX-HIFRSBDPSA-N 0 3 370.427 1.437 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813111160 941335818 /nfs/dbraw/zinc/33/58/18/941335818.db2.gz PGRTYAHHJSUVGQ-ZYHUDNBSSA-N 0 3 362.338 1.284 20 5 FDBDHN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560955 941904723 /nfs/dbraw/zinc/90/47/23/941904723.db2.gz UYZYYZWWJWPHQR-LLVKDONJSA-N 0 3 371.397 1.243 20 5 FDBDHN CC([C@H](OC(=O)CN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878767 950052206 /nfs/dbraw/zinc/05/22/06/950052206.db2.gz VVNXDKULOYIBBG-YGRLFVJLSA-N 0 3 360.363 1.111 20 5 FDBDHN C[C@@H]1C[C@H](O)CN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697706 962587741 /nfs/dbraw/zinc/58/77/41/962587741.db2.gz VVMOMBCQSLMVTB-OCCSQVGLSA-N 0 3 369.443 1.203 20 5 FDBDHN O=C(C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000776579278 967174876 /nfs/dbraw/zinc/17/48/76/967174876.db2.gz MBBYAWGNOLAQQN-QGZVFWFLSA-N 0 3 363.414 1.199 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2nccc(N)c2C1 ZINC001193897260 969912829 /nfs/dbraw/zinc/91/28/29/969912829.db2.gz UMRBJHBVIGSULG-UHFFFAOYSA-N 0 3 362.411 1.881 20 5 FDBDHN O=C1N[C@H](C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC001198299832 972965681 /nfs/dbraw/zinc/96/56/81/972965681.db2.gz IFZCBBDOJWLYBY-KBPBESRZSA-N 0 3 365.386 1.155 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1F ZINC000857649234 981621341 /nfs/dbraw/zinc/62/13/41/981621341.db2.gz QTMJDLJSJXCCMV-UHFFFAOYSA-N 0 3 354.382 1.134 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCNCCC12CCC2 ZINC000883479415 982199815 /nfs/dbraw/zinc/19/98/15/982199815.db2.gz XSYDASWVZHZNPO-UHFFFAOYSA-N 0 3 353.444 1.685 20 5 FDBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000860854713 983539467 /nfs/dbraw/zinc/53/94/67/983539467.db2.gz HAPAHLHPEDHHFI-PCDDKUFXSA-N 0 3 355.318 1.796 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825722000 990062411 /nfs/dbraw/zinc/06/24/11/990062411.db2.gz RTZAXWQQVMTFTG-HOTGVXAUSA-N 0 3 351.403 1.197 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000874833607 990556986 /nfs/dbraw/zinc/55/69/86/990556986.db2.gz MJQYXEUZUQTJQO-HOTGVXAUSA-N 0 3 374.441 1.740 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000874840158 990564555 /nfs/dbraw/zinc/56/45/55/990564555.db2.gz KHXNSUFIKXSIRM-JKSUJKDBSA-N 0 3 356.386 1.484 20 5 FDBDHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000371613495 990570138 /nfs/dbraw/zinc/57/01/38/990570138.db2.gz IDGLNRKNTNHJRJ-DZGCQCFKSA-N 0 3 370.413 1.970 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc2O1 ZINC000371893706 990806396 /nfs/dbraw/zinc/80/63/96/990806396.db2.gz JVMHCAOYBHLZDF-GFCCVEGCSA-N 0 3 357.370 1.541 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000372364478 991042954 /nfs/dbraw/zinc/04/29/54/991042954.db2.gz GBONLMYIYCLHCF-LBPRGKRZSA-N 0 3 360.374 1.471 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000876470477 992626901 /nfs/dbraw/zinc/62/69/01/992626901.db2.gz 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O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000931186379 1003944755 /nfs/dbraw/zinc/94/47/55/1003944755.db2.gz MQJHWTIWMOIZLJ-GJZGRUSLSA-N 0 3 351.378 1.646 20 5 FDBDHN Cn1ccc([C@@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932132306 1004784185 /nfs/dbraw/zinc/78/41/85/1004784185.db2.gz GREHDZPUKDFEIR-CABCVRRESA-N 0 3 360.414 1.948 20 5 FDBDHN O=C1NC[C@H](O)CC12CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000932841387 1005210421 /nfs/dbraw/zinc/21/04/21/1005210421.db2.gz XMADSQSOCOXTCA-CYBMUJFWSA-N 0 3 353.806 1.711 20 5 FDBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000933993474 1005674456 /nfs/dbraw/zinc/67/44/56/1005674456.db2.gz DLPMTIQAVSICFC-OAHLLOKOSA-N 0 3 363.462 1.409 20 5 FDBDHN CN1CCN(C)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000933998241 1005676863 /nfs/dbraw/zinc/67/68/63/1005676863.db2.gz WFUKBNYQCITPRH-UHFFFAOYSA-N 0 3 360.418 1.324 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934274273 1005727711 /nfs/dbraw/zinc/72/77/11/1005727711.db2.gz NTLFUHIZJSISKE-IRXDYDNUSA-N 0 3 363.414 1.412 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935444743 1005912478 /nfs/dbraw/zinc/91/24/78/1005912478.db2.gz AWAMYYHHEFQBTK-AWEZNQCLSA-N 0 3 366.437 1.809 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000195103396 1011556233 /nfs/dbraw/zinc/55/62/33/1011556233.db2.gz OXFHVXJENYNMLP-UHFFFAOYSA-N 0 3 366.374 1.652 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000507494772 538918078 /nfs/dbraw/zinc/91/80/78/538918078.db2.gz KQKNWZGAOTXQLI-OLZOCXBDSA-N 0 3 357.432 1.278 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192137407 178095603 /nfs/dbraw/zinc/09/56/03/178095603.db2.gz DKYMBYMKBAHQEP-MAZHCROVSA-N 0 3 368.340 1.550 20 5 FDBDHN Cc1cc(=O)c(C(=O)N2CCCC[C@H]2CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000237648078 178323652 /nfs/dbraw/zinc/32/36/52/178323652.db2.gz XNKFQOXMMKTRAZ-ZDUSSCGKSA-N 0 3 371.397 1.403 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000509466373 538949774 /nfs/dbraw/zinc/94/97/74/538949774.db2.gz ANDWPQIUPVKZNR-OLZOCXBDSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000518888221 539454687 /nfs/dbraw/zinc/45/46/87/539454687.db2.gz JSENQQKWVAILIN-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000263956057 179004187 /nfs/dbraw/zinc/00/41/87/179004187.db2.gz CGQXCBNTCSBTAB-CZUORRHYSA-N 0 3 362.430 1.574 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266581777 179631433 /nfs/dbraw/zinc/63/14/33/179631433.db2.gz BFRMZFPJPPFOLM-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268158654 180012078 /nfs/dbraw/zinc/01/20/78/180012078.db2.gz CIZQKBFHKVHFFR-NHYWBVRUSA-N 0 3 356.386 1.388 20 5 FDBDHN CCOC(=O)c1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268228534 180030327 /nfs/dbraw/zinc/03/03/27/180030327.db2.gz UXENLLLIMYHOMY-CQSZACIVSA-N 0 3 363.414 1.930 20 5 FDBDHN CCOC(=O)c1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268228533 180030331 /nfs/dbraw/zinc/03/03/31/180030331.db2.gz UXENLLLIMYHOMY-AWEZNQCLSA-N 0 3 363.414 1.930 20 5 FDBDHN COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000268408170 180074730 /nfs/dbraw/zinc/07/47/30/180074730.db2.gz GLKHRNWUVRPWCZ-UHFFFAOYSA-N 0 3 353.419 1.634 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934262336 781932717 /nfs/dbraw/zinc/93/27/17/781932717.db2.gz WMNTVBJTGVLGCS-COXVUDFISA-N 0 3 362.430 1.453 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531627855 540108480 /nfs/dbraw/zinc/10/84/80/540108480.db2.gz QBWCATXIPUCSRF-UHFFFAOYSA-N 0 3 352.391 1.335 20 5 FDBDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000532388473 540158362 /nfs/dbraw/zinc/15/83/62/540158362.db2.gz HJBIFOXXZPATOL-UHFFFAOYSA-N 0 3 369.425 1.667 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532397350 540159396 /nfs/dbraw/zinc/15/93/96/540159396.db2.gz DGUCMDSUEFTPDM-UHFFFAOYSA-N 0 3 364.383 1.007 20 5 FDBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000275099723 181238127 /nfs/dbraw/zinc/23/81/27/181238127.db2.gz KGNFHPRKWSMWSI-NSHDSACASA-N 0 3 361.320 1.974 20 5 FDBDHN C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)CN1CCN(C)CC1 ZINC000534250327 540338899 /nfs/dbraw/zinc/33/88/99/540338899.db2.gz KIPMOAIFHBNQLC-CYBMUJFWSA-N 0 3 359.430 1.689 20 5 FDBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000540286923 541042486 /nfs/dbraw/zinc/04/24/86/541042486.db2.gz MHFMQARGEUIAFS-GFCCVEGCSA-N 0 3 364.402 1.394 20 5 FDBDHN CC(C)[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000540710919 541090744 /nfs/dbraw/zinc/09/07/44/541090744.db2.gz PWOKSHKHQNXETF-UKRRQHHQSA-N 0 3 371.459 1.666 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000542136551 541345647 /nfs/dbraw/zinc/34/56/47/541345647.db2.gz MHOULEJLFBRSRS-KLZCAUPSSA-N 0 3 360.414 1.911 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542507103 541417322 /nfs/dbraw/zinc/41/73/22/541417322.db2.gz IPPMXCPOBFCHOW-UHFFFAOYSA-N 0 3 370.413 1.282 20 5 FDBDHN CN(C)CCO[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000543050478 541525355 /nfs/dbraw/zinc/52/53/55/541525355.db2.gz FUNZKODXVXMERD-SNVBAGLBSA-N 0 3 363.461 1.217 20 5 FDBDHN COC(=O)c1cc(C)nc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000286529199 183088834 /nfs/dbraw/zinc/08/88/34/183088834.db2.gz SCHGCWLNOUDWHC-UHFFFAOYSA-N 0 3 365.434 1.523 20 5 FDBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286618360 183110546 /nfs/dbraw/zinc/11/05/46/183110546.db2.gz XNKJBNRHQAJFGD-LSDHHAIUSA-N 0 3 365.430 1.715 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000296177537 184137616 /nfs/dbraw/zinc/13/76/16/184137616.db2.gz LFUHYADMDYRRTL-UHFFFAOYSA-N 0 3 366.418 1.744 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000296653318 184187574 /nfs/dbraw/zinc/18/75/74/184187574.db2.gz WOTFPOKKJVVDRQ-UHFFFAOYSA-N 0 3 366.393 1.924 20 5 FDBDHN CN1CCCC[C@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296774361 184199295 /nfs/dbraw/zinc/19/92/95/184199295.db2.gz ROVAJAKXCLYUJV-NSHDSACASA-N 0 3 353.400 1.614 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296820624 184204134 /nfs/dbraw/zinc/20/41/34/184204134.db2.gz RSYDQCFMIKPQKA-GFCCVEGCSA-N 0 3 369.393 1.973 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OCCO)C1 ZINC000172296645 258272689 /nfs/dbraw/zinc/27/26/89/258272689.db2.gz GMVLQEGZFCNYES-OAHLLOKOSA-N 0 3 351.403 1.705 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000172614316 258280918 /nfs/dbraw/zinc/28/09/18/258280918.db2.gz XMWWQBDHZASSPQ-DGCLKSJQSA-N 0 3 369.443 1.553 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000552152292 543426165 /nfs/dbraw/zinc/42/61/65/543426165.db2.gz WKBFJMYTSJQEOE-AWEZNQCLSA-N 0 3 372.219 1.462 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553173525 543580790 /nfs/dbraw/zinc/58/07/90/543580790.db2.gz OPLHUOANKBUJHO-SFHVURJKSA-N 0 3 370.413 1.311 20 5 FDBDHN Cc1sc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000102165337 172346687 /nfs/dbraw/zinc/34/66/87/172346687.db2.gz AILPRGSXMAWDCV-LBPRGKRZSA-N 0 3 366.443 1.519 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1CCN(C)CC1 ZINC000103453875 172366568 /nfs/dbraw/zinc/36/65/68/172366568.db2.gz KZFALTOLAACJGM-ZDUSSCGKSA-N 0 3 362.430 1.513 20 5 FDBDHN CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000106906902 172461557 /nfs/dbraw/zinc/46/15/57/172461557.db2.gz AFPUANGFYYTJRM-AWEZNQCLSA-N 0 3 368.459 1.527 20 5 FDBDHN CC(C(=O)N(C)C)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130860778 173183004 /nfs/dbraw/zinc/18/30/04/173183004.db2.gz WAAWXTYGEPUWBQ-JTQLQIEISA-N 0 3 367.383 1.641 20 5 FDBDHN Cc1c(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000133264298 173259466 /nfs/dbraw/zinc/25/94/66/173259466.db2.gz IAANOKXDNUQNKR-KRWDZBQOSA-N 0 3 374.441 1.211 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000176127045 174053536 /nfs/dbraw/zinc/05/35/36/174053536.db2.gz UVYPOHRQYRYNOL-ZBFHGGJFSA-N 0 3 357.414 1.961 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000176670830 174081694 /nfs/dbraw/zinc/08/16/94/174081694.db2.gz MNKZEPBSVCXGHE-OAHLLOKOSA-N 0 3 361.446 1.419 20 5 FDBDHN Cc1ccc(NC(=O)[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000177738970 174153885 /nfs/dbraw/zinc/15/38/85/174153885.db2.gz IONKIDXEBNWRGF-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN CN1CCC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000182253758 177510570 /nfs/dbraw/zinc/51/05/70/177510570.db2.gz MSIGPBUWBBDMPB-YOEHRIQHSA-N 0 3 367.471 1.785 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180590221 258371252 /nfs/dbraw/zinc/37/12/52/258371252.db2.gz HQGDLPHBCHIWKN-CYBMUJFWSA-N 0 3 360.208 1.400 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000173635219 258305825 /nfs/dbraw/zinc/30/58/25/258305825.db2.gz OLOMFGALEHWVKA-HOCLYGCPSA-N 0 3 374.397 1.761 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173993929 258316646 /nfs/dbraw/zinc/31/66/46/258316646.db2.gz URDFGDALQCPRMK-LBPRGKRZSA-N 0 3 357.432 1.708 20 5 FDBDHN CN(C(=O)CN1CCN(C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178829724 258336624 /nfs/dbraw/zinc/33/66/24/258336624.db2.gz HVZSLAWXZSFZHF-OAHLLOKOSA-N 0 3 362.430 1.212 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000178919469 258339679 /nfs/dbraw/zinc/33/96/79/258339679.db2.gz RZYYDEGNVQWLOK-MRVPVSSYSA-N 0 3 353.322 1.644 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278922387 258520500 /nfs/dbraw/zinc/52/05/00/258520500.db2.gz RSZHAFKUSFUJSS-KRWDZBQOSA-N 0 3 374.445 1.565 20 5 FDBDHN N[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000556112807 544098485 /nfs/dbraw/zinc/09/84/85/544098485.db2.gz VSQJYLFTGZMSLT-MRXNPFEDSA-N 0 3 355.398 1.729 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000557493730 544299038 /nfs/dbraw/zinc/29/90/38/544299038.db2.gz QPGLXLFMYPBLIR-LBPRGKRZSA-N 0 3 351.407 1.214 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000558442418 544434267 /nfs/dbraw/zinc/43/42/67/544434267.db2.gz XRAOGOAHJUNQNJ-NSHDSACASA-N 0 3 373.431 1.388 20 5 FDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000299070634 258969675 /nfs/dbraw/zinc/96/96/75/258969675.db2.gz FQJTVADJAOSMSK-KBPBESRZSA-N 0 3 362.430 1.561 20 5 FDBDHN Cc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)N(C)C)cc1 ZINC000299541866 259005203 /nfs/dbraw/zinc/00/52/03/259005203.db2.gz UPBIVXSTIVUTMV-MRXNPFEDSA-N 0 3 358.398 1.484 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000301381236 259027347 /nfs/dbraw/zinc/02/73/47/259027347.db2.gz ZFKGALKUVINBRE-KRWDZBQOSA-N 0 3 363.462 1.638 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@@H](C)O1 ZINC000301524455 259029248 /nfs/dbraw/zinc/02/92/48/259029248.db2.gz FLMRFPSFHWRUKM-CHWSQXEVSA-N 0 3 364.450 1.683 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CN2CCOCC2)CC1 ZINC000301555358 259029639 /nfs/dbraw/zinc/02/96/39/259029639.db2.gz WNDWJYXPOXBWPY-UHFFFAOYSA-N 0 3 362.430 1.503 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301805657 259034089 /nfs/dbraw/zinc/03/40/89/259034089.db2.gz FBMJNWLCLUQMQS-CQSZACIVSA-N 0 3 363.374 1.422 20 5 FDBDHN COc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301968235 259036910 /nfs/dbraw/zinc/03/69/10/259036910.db2.gz PIAWHYKTNGSGKN-UHFFFAOYSA-N 0 3 366.393 1.487 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@@H](C)O1 ZINC000332483107 259269723 /nfs/dbraw/zinc/26/97/23/259269723.db2.gz CDNHEDGUSCSYSC-CHWSQXEVSA-N 0 3 365.434 1.669 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000367206504 260009978 /nfs/dbraw/zinc/00/99/78/260009978.db2.gz ACNPCFMAWLSYML-OAHLLOKOSA-N 0 3 361.402 1.541 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C1CCN(C)CC1 ZINC000367454721 260044239 /nfs/dbraw/zinc/04/42/39/260044239.db2.gz VNBGFMKRDGTLKL-CYBMUJFWSA-N 0 3 361.446 1.418 20 5 FDBDHN CCc1nn(C)c(N2CCC[C@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000367523910 260054983 /nfs/dbraw/zinc/05/49/83/260054983.db2.gz HBGMJGIQIPORIJ-CQSZACIVSA-N 0 3 350.467 1.355 20 5 FDBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1C1CCN(C)CC1 ZINC000367536174 260057770 /nfs/dbraw/zinc/05/77/70/260057770.db2.gz QOXZXPPMVILWAI-CYBMUJFWSA-N 0 3 359.434 1.242 20 5 FDBDHN O=[N+]([O-])c1cccc(Cl)c1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368389401 260175928 /nfs/dbraw/zinc/17/59/28/260175928.db2.gz WLKPPXVVHAUHEB-GFCCVEGCSA-N 0 3 373.862 1.994 20 5 FDBDHN COC(=O)c1cc(N2CCCN(CC(C)(C)O)CC2)cc(C)c1[N+](=O)[O-] ZINC000368712779 260225977 /nfs/dbraw/zinc/22/59/77/260225977.db2.gz QZMUJFAIDMJEBY-UHFFFAOYSA-N 0 3 365.430 1.973 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368971922 260270217 /nfs/dbraw/zinc/27/02/17/260270217.db2.gz DRKJVVFDHHFIFC-QEORTHHSSA-N 0 3 360.414 1.818 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000369012045 260276576 /nfs/dbraw/zinc/27/65/76/260276576.db2.gz VDEZRHNDJKVWMH-UHFFFAOYSA-N 0 3 360.418 1.181 20 5 FDBDHN Cc1cccc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000372992416 260963160 /nfs/dbraw/zinc/96/31/60/260963160.db2.gz KAIONSSEQIVFIA-CQSZACIVSA-N 0 3 353.444 1.649 20 5 FDBDHN COC(=O)[C@]12CN(Cc3ccc([N+](=O)[O-])cc3OC)C[C@H]1COCC2 ZINC000374019872 261066974 /nfs/dbraw/zinc/06/69/74/261066974.db2.gz UUFTTYRQBDQDOP-SUMWQHHRSA-N 0 3 350.371 1.615 20 5 FDBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000374330470 261112271 /nfs/dbraw/zinc/11/22/71/261112271.db2.gz NXHTVMMAJLYGPH-CRAIPNDOSA-N 0 3 360.458 1.622 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374556205 261153393 /nfs/dbraw/zinc/15/33/93/261153393.db2.gz JWGATFZMHOWXRN-ZWKOTPCHSA-N 0 3 360.414 1.178 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000374895480 261221005 /nfs/dbraw/zinc/22/10/05/261221005.db2.gz JSWHWPZARRMVCC-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000374989975 261240865 /nfs/dbraw/zinc/24/08/65/261240865.db2.gz RMOAKGYOBSSBHG-HOTGVXAUSA-N 0 3 361.402 1.481 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000375022296 261249603 /nfs/dbraw/zinc/24/96/03/261249603.db2.gz QZCGKDFOYQLMTD-RISCZKNCSA-N 0 3 360.370 1.055 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375023890 261250761 /nfs/dbraw/zinc/25/07/61/261250761.db2.gz VRJWMHCVQUQUAP-WOSRLPQWSA-N 0 3 360.414 1.266 20 5 FDBDHN C[C@H](CO)N1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000375499865 261354974 /nfs/dbraw/zinc/35/49/74/261354974.db2.gz JJSZCQPMSBAKBG-CYBMUJFWSA-N 0 3 351.403 1.350 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000378328777 262006316 /nfs/dbraw/zinc/00/63/16/262006316.db2.gz LRHVIBAXOYCACV-UHFFFAOYSA-N 0 3 371.441 1.853 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000378365314 262011560 /nfs/dbraw/zinc/01/15/60/262011560.db2.gz JJBXDHQOJKILKD-CYBMUJFWSA-N 0 3 364.421 1.974 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000409731701 262137497 /nfs/dbraw/zinc/13/74/97/262137497.db2.gz KWIOVJBZCMOKBI-ZDUSSCGKSA-N 0 3 363.443 1.752 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)cc1OC ZINC000046272594 522270205 /nfs/dbraw/zinc/27/02/05/522270205.db2.gz KRPVLWXYTIZWNX-LLVKDONJSA-N 0 3 355.391 1.309 20 5 FDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCN1CCCC1 ZINC000073002205 522447501 /nfs/dbraw/zinc/44/75/01/522447501.db2.gz SXPDXTZKZBTCSX-UHFFFAOYSA-N 0 3 362.386 1.495 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000067486845 523470085 /nfs/dbraw/zinc/47/00/85/523470085.db2.gz UFWGWHALVIORNZ-CQSZACIVSA-N 0 3 366.418 1.818 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081125579 523944777 /nfs/dbraw/zinc/94/47/77/523944777.db2.gz JQTHKJNEJKVNTG-INIZCTEOSA-N 0 3 357.414 1.833 20 5 FDBDHN CCc1n[n-]c(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000172082920 524114050 /nfs/dbraw/zinc/11/40/50/524114050.db2.gz QMMOMUXZATVJIV-UHFFFAOYSA-N 0 3 358.402 1.983 20 5 FDBDHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000110698366 524124836 /nfs/dbraw/zinc/12/48/36/524124836.db2.gz OGAVUBTUBKHIAZ-AAEUAGOBSA-N 0 3 364.402 1.391 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000110997968 524184652 /nfs/dbraw/zinc/18/46/52/524184652.db2.gz FFJFJYJVEAHLHI-ZDUSSCGKSA-N 0 3 351.403 1.973 20 5 FDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136916959 524219621 /nfs/dbraw/zinc/21/96/21/524219621.db2.gz XFWWHWXFPGFSFC-UHFFFAOYSA-N 0 3 353.444 1.847 20 5 FDBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000136996650 524224158 /nfs/dbraw/zinc/22/41/58/524224158.db2.gz RFNIFRCABMNQLV-GFCCVEGCSA-N 0 3 353.444 1.751 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661345 524321200 /nfs/dbraw/zinc/32/12/00/524321200.db2.gz JEFIZOVFPPHEOO-ZDUSSCGKSA-N 0 3 366.418 1.593 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087249798 524421943 /nfs/dbraw/zinc/42/19/43/524421943.db2.gz UDYRZUBXCOXSOG-KRWDZBQOSA-N 0 3 374.441 1.468 20 5 FDBDHN CCCCN(C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000112309709 524455928 /nfs/dbraw/zinc/45/59/28/524455928.db2.gz YACSKPDSVGRQJQ-UHFFFAOYSA-N 0 3 360.418 1.946 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000122444102 524537821 /nfs/dbraw/zinc/53/78/21/524537821.db2.gz YGCNGWPAJOBKAE-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112921727 524597275 /nfs/dbraw/zinc/59/72/75/524597275.db2.gz OTFHXGLLOMTVPM-CYBMUJFWSA-N 0 3 352.410 1.737 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922742 524600259 /nfs/dbraw/zinc/60/02/59/524600259.db2.gz XQIXVPYLAARPHM-OAHLLOKOSA-N 0 3 364.446 1.363 20 5 FDBDHN Nc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000159166483 524607800 /nfs/dbraw/zinc/60/78/00/524607800.db2.gz BCTKHNTWJQAYOJ-MRXNPFEDSA-N 0 3 370.409 1.326 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000122845076 524629857 /nfs/dbraw/zinc/62/98/57/524629857.db2.gz CYTNATWQOXEGQK-JSGCOSHPSA-N 0 3 358.402 1.730 20 5 FDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000151621671 524632711 /nfs/dbraw/zinc/63/27/11/524632711.db2.gz HDPYEIYCABBPTN-KRWDZBQOSA-N 0 3 362.430 1.484 20 5 FDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000114141108 524746583 /nfs/dbraw/zinc/74/65/83/524746583.db2.gz XDIXWLFOGNWZNT-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN O=C(NCCCN1CCN(c2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159917211 524765869 /nfs/dbraw/zinc/76/58/69/524765869.db2.gz YASYWCITZMPHQS-UHFFFAOYSA-N 0 3 358.402 1.260 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000114380067 524782587 /nfs/dbraw/zinc/78/25/87/524782587.db2.gz JLVLGTRKNWWACD-LBPRGKRZSA-N 0 3 365.390 1.116 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000124203239 524927678 /nfs/dbraw/zinc/92/76/78/524927678.db2.gz JPXUYOWFPOXTDK-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152659733 524962403 /nfs/dbraw/zinc/96/24/03/524962403.db2.gz BPYHCJIMXRZOQP-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000160900943 524991967 /nfs/dbraw/zinc/99/19/67/524991967.db2.gz DHHBBANLLJIHBZ-CQSZACIVSA-N 0 3 355.460 1.789 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000124816844 525083970 /nfs/dbraw/zinc/08/39/70/525083970.db2.gz SJVUONTWPQRKHI-UHFFFAOYSA-N 0 3 358.402 1.943 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000162240082 525232178 /nfs/dbraw/zinc/23/21/78/525232178.db2.gz NEJSXRCKGZVSJP-INIZCTEOSA-N 0 3 350.394 1.472 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000117496518 525351593 /nfs/dbraw/zinc/35/15/93/525351593.db2.gz AIQYKQBVNJGZBW-UHFFFAOYSA-N 0 3 354.432 1.283 20 5 FDBDHN O=C(NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)c1ccccc1 ZINC000178047813 525375016 /nfs/dbraw/zinc/37/50/16/525375016.db2.gz MPDPUQSVXMGQES-HNNXBMFYSA-N 0 3 357.414 1.933 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163606360 525429840 /nfs/dbraw/zinc/42/98/40/525429840.db2.gz KJJJRFWLGOHAGK-ZFWWWQNUSA-N 0 3 355.460 1.739 20 5 FDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000154369444 525510628 /nfs/dbraw/zinc/51/06/28/525510628.db2.gz ZJRMBZHNSZEYGN-AWEZNQCLSA-N 0 3 350.419 1.383 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154588979 525582638 /nfs/dbraw/zinc/58/26/38/525582638.db2.gz PNRQUVDHDLHDOX-AWEZNQCLSA-N 0 3 351.403 1.543 20 5 FDBDHN C[C@@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393552 525701553 /nfs/dbraw/zinc/70/15/53/525701553.db2.gz BOIFFOHCWWCOJK-IUODEOHRSA-N 0 3 369.377 1.903 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000106418709 525721447 /nfs/dbraw/zinc/72/14/47/525721447.db2.gz NYVIUQHENOJKCK-UHFFFAOYSA-N 0 3 370.409 1.816 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000131133082 525829362 /nfs/dbraw/zinc/82/93/62/525829362.db2.gz WJUZBQXQWUIERR-UHFFFAOYSA-N 0 3 353.423 1.561 20 5 FDBDHN CC(C)(C)N(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000131462786 525862612 /nfs/dbraw/zinc/86/26/12/525862612.db2.gz AJVKOPHKBRUIEF-UHFFFAOYSA-N 0 3 350.375 1.479 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000108277486 525945957 /nfs/dbraw/zinc/94/59/57/525945957.db2.gz DXSOHHIMEAKPNS-AWEZNQCLSA-N 0 3 351.403 1.591 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000171412419 525983425 /nfs/dbraw/zinc/98/34/25/525983425.db2.gz UQNITDQTHGQFQF-UHFFFAOYSA-N 0 3 354.382 1.547 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171560198 526033985 /nfs/dbraw/zinc/03/39/85/526033985.db2.gz GRHGENYXYSGWJT-UHFFFAOYSA-N 0 3 354.432 1.283 20 5 FDBDHN Cc1c(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000120373429 526044440 /nfs/dbraw/zinc/04/44/40/526044440.db2.gz HLFSYRFPUSFEIH-UHFFFAOYSA-N 0 3 374.441 1.212 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Cn3ccnn3)CC2)c1 ZINC000156101487 526055190 /nfs/dbraw/zinc/05/51/90/526055190.db2.gz HHDFGBSYEYTCHV-INIZCTEOSA-N 0 3 361.402 1.338 20 5 FDBDHN Cc1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000120889971 526212042 /nfs/dbraw/zinc/21/20/42/526212042.db2.gz NXNUGZFLGXOCPU-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCCN2CCCCC2)cc1 ZINC000183429649 535981072 /nfs/dbraw/zinc/98/10/72/535981072.db2.gz KOFXTMQPYALPJI-UHFFFAOYSA-N 0 3 355.460 1.933 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000183738357 536040327 /nfs/dbraw/zinc/04/03/27/536040327.db2.gz PIWFCTASEJYOSL-CABCVRRESA-N 0 3 360.414 1.328 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCN(c2ccccn2)CC1 ZINC000183866355 536059146 /nfs/dbraw/zinc/05/91/46/536059146.db2.gz FEWZKGPJLFBWJV-MRXNPFEDSA-N 0 3 372.425 1.942 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000184219949 536118311 /nfs/dbraw/zinc/11/83/11/536118311.db2.gz BZJZNDRXZNMHRG-UHFFFAOYSA-N 0 3 363.462 1.539 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000184338956 536136108 /nfs/dbraw/zinc/13/61/08/536136108.db2.gz IOZZXHVRACPBJP-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000184338936 536136403 /nfs/dbraw/zinc/13/64/03/536136403.db2.gz IOZZXHVRACPBJP-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000184462581 536154379 /nfs/dbraw/zinc/15/43/79/536154379.db2.gz FRDKOAMMZSGTKV-HIFRSBDPSA-N 0 3 354.407 1.206 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185007142 536195681 /nfs/dbraw/zinc/19/56/81/536195681.db2.gz SYWZVJVLHFMNLE-ZIAGYGMSSA-N 0 3 366.437 1.980 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)CC1 ZINC000185281008 536204296 /nfs/dbraw/zinc/20/42/96/536204296.db2.gz UTOGVPQVNJJPTQ-CQSZACIVSA-N 0 3 366.487 1.781 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185954619 536222553 /nfs/dbraw/zinc/22/25/53/536222553.db2.gz RVBNMWCULUNTFZ-UHFFFAOYSA-N 0 3 356.386 1.613 20 5 FDBDHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267241227 536964940 /nfs/dbraw/zinc/96/49/40/536964940.db2.gz BMJVIWJFSYPLLT-OAHLLOKOSA-N 0 3 352.416 1.087 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000189356324 537033347 /nfs/dbraw/zinc/03/33/47/537033347.db2.gz FZBZCSHXOFNGGO-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN COc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1C ZINC000189572464 537067612 /nfs/dbraw/zinc/06/76/12/537067612.db2.gz BEMFXZBPLNKVEG-CQSZACIVSA-N 0 3 351.403 1.488 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263768528 537093960 /nfs/dbraw/zinc/09/39/60/537093960.db2.gz VLUHUXQLYXCXRC-MRXNPFEDSA-N 0 3 362.430 1.196 20 5 FDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189900253 537112586 /nfs/dbraw/zinc/11/25/86/537112586.db2.gz UUTLQXDXRWBCQW-CQSZACIVSA-N 0 3 364.446 1.700 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000263842509 537114804 /nfs/dbraw/zinc/11/48/04/537114804.db2.gz SSAVZTXPDGYANP-QGZVFWFLSA-N 0 3 374.441 1.718 20 5 FDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000266419661 537201633 /nfs/dbraw/zinc/20/16/33/537201633.db2.gz RURKZTJHQLZCHM-UHFFFAOYSA-N 0 3 350.375 1.056 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191687140 537210091 /nfs/dbraw/zinc/21/00/91/537210091.db2.gz BTFYFHONWHVUMI-CYBMUJFWSA-N 0 3 364.446 1.668 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CN2CCN(C)CC2)CC1 ZINC000192527592 537225785 /nfs/dbraw/zinc/22/57/85/537225785.db2.gz CGYOXQCWJVRGPB-UHFFFAOYSA-N 0 3 350.467 1.583 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000249591211 537239243 /nfs/dbraw/zinc/23/92/43/537239243.db2.gz VLFDSAILNMUMCA-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272687861 537321245 /nfs/dbraw/zinc/32/12/45/537321245.db2.gz WMYSFTMNAJYPOT-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273172300 537404304 /nfs/dbraw/zinc/40/43/04/537404304.db2.gz PAIONRPFRUKVAL-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284763699 537516033 /nfs/dbraw/zinc/51/60/33/537516033.db2.gz MKWCSLYPABUISP-AEFFLSMTSA-N 0 3 359.430 1.011 20 5 FDBDHN CCN(C)CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299281733 537532663 /nfs/dbraw/zinc/53/26/63/537532663.db2.gz IACLDQSCRXNUKU-UHFFFAOYSA-N 0 3 354.407 1.405 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299508538 537593147 /nfs/dbraw/zinc/59/31/47/537593147.db2.gz LWTXCRNZMRBHKM-KRWDZBQOSA-N 0 3 370.409 1.710 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC000362475223 537597254 /nfs/dbraw/zinc/59/72/54/537597254.db2.gz XKFLZCLKEMWPAX-LRDDRELGSA-N 0 3 356.386 1.342 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277385947 537613087 /nfs/dbraw/zinc/61/30/87/537613087.db2.gz WWIJDQKAKYSYFI-UHFFFAOYSA-N 0 3 372.219 1.544 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293918277 537625741 /nfs/dbraw/zinc/62/57/41/537625741.db2.gz IGRCGFUAQCUCLI-LJQANCHMSA-N 0 3 374.441 1.577 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1CCN(C)C ZINC000293937957 537628047 /nfs/dbraw/zinc/62/80/47/537628047.db2.gz CIUZAAXLZCYJOX-GFCCVEGCSA-N 0 3 374.401 1.110 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCNCc1cccnc1 ZINC000237572030 537632794 /nfs/dbraw/zinc/63/27/94/537632794.db2.gz XUYMQMQKKHMKCN-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN(CCCO)C1 ZINC000295571428 537713703 /nfs/dbraw/zinc/71/37/03/537713703.db2.gz VDAJAQPOTQUYLO-CQSZACIVSA-N 0 3 360.414 1.582 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418859920 537809159 /nfs/dbraw/zinc/80/91/59/537809159.db2.gz CGBQYESTSAQUPV-UHFFFAOYSA-N 0 3 368.393 1.173 20 5 FDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000376090275 537832377 /nfs/dbraw/zinc/83/23/77/537832377.db2.gz CNLZHXVSKBAKPG-UHFFFAOYSA-N 0 3 368.459 1.136 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000416484478 537867233 /nfs/dbraw/zinc/86/72/33/537867233.db2.gz UGKIANWAQMSCSE-NSHDSACASA-N 0 3 373.431 1.388 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000366933683 537895079 /nfs/dbraw/zinc/89/50/79/537895079.db2.gz LXUAXZFTWAGFJT-KHIZAZIESA-N 0 3 360.414 1.877 20 5 FDBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CNCCC2(F)F)c(C)c([N+](=O)[O-])c1 ZINC000415593406 538081053 /nfs/dbraw/zinc/08/10/53/538081053.db2.gz DXUKOEUHVKWEPL-GFCCVEGCSA-N 0 3 372.328 1.809 20 5 FDBDHN C[C@@H]1CN(CCCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000439151271 538156560 /nfs/dbraw/zinc/15/65/60/538156560.db2.gz DXFVNJMPCFPQHU-BETUJISGSA-N 0 3 350.419 1.995 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420379750 538281511 /nfs/dbraw/zinc/28/15/11/538281511.db2.gz NKIKZKIKUMPMBJ-BLLLJJGKSA-N 0 3 373.417 1.309 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000420398972 538285713 /nfs/dbraw/zinc/28/57/13/538285713.db2.gz AUMHCBMGMCQIKX-SECBINFHSA-N 0 3 353.322 1.644 20 5 FDBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000433989228 538294345 /nfs/dbraw/zinc/29/43/45/538294345.db2.gz WRIMSOCSDLQJDJ-KDOFPFPSSA-N 0 3 373.413 1.929 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000452350409 538378012 /nfs/dbraw/zinc/37/80/12/538378012.db2.gz OJNMLSXNAXMIGX-OAHLLOKOSA-N 0 3 362.430 1.746 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000457135101 538476161 /nfs/dbraw/zinc/47/61/61/538476161.db2.gz VYMAUEQUVWMGHW-CQSZACIVSA-N 0 3 363.414 1.850 20 5 FDBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000495378746 538656572 /nfs/dbraw/zinc/65/65/72/538656572.db2.gz FOLLQTRDXSIPQY-ZFWWWQNUSA-N 0 3 359.390 1.182 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000473243533 538761675 /nfs/dbraw/zinc/76/16/75/538761675.db2.gz JQGKWYLRQQFKLJ-QGZVFWFLSA-N 0 3 361.402 1.213 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000489412160 538811415 /nfs/dbraw/zinc/81/14/15/538811415.db2.gz WBBFIIBPJOOCOK-LBPRGKRZSA-N 0 3 364.402 1.079 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474346075 538834846 /nfs/dbraw/zinc/83/48/46/538834846.db2.gz PGYCRGKSFIYJIM-SWLSCSKDSA-N 0 3 363.414 1.719 20 5 FDBDHN CNc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000562413584 546130783 /nfs/dbraw/zinc/13/07/83/546130783.db2.gz APNAOTFXTMTSKY-ZDUSSCGKSA-N 0 3 350.419 1.867 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000563116497 546413189 /nfs/dbraw/zinc/41/31/89/546413189.db2.gz JFTASIGVHKDIKD-CYBMUJFWSA-N 0 3 374.401 1.521 20 5 FDBDHN Cc1cccc(C[C@@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000564975936 547137301 /nfs/dbraw/zinc/13/73/01/547137301.db2.gz OJDFHLXJFFSQTR-DLBZAZTESA-N 0 3 360.410 1.836 20 5 FDBDHN CC(C)Oc1nc(NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000565222224 547261324 /nfs/dbraw/zinc/26/13/24/547261324.db2.gz NZUWBLCVJYXXFQ-AWEZNQCLSA-N 0 3 352.435 2.282 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCO1 ZINC000565576420 547402890 /nfs/dbraw/zinc/40/28/90/547402890.db2.gz VQXUQIRTNKBMBE-GFCCVEGCSA-N 0 3 365.386 1.554 20 5 FDBDHN O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[C@@H](N2CCCC2)C1 ZINC000565937672 547537631 /nfs/dbraw/zinc/53/76/31/547537631.db2.gz INLLNPPNPTWDRC-OAHLLOKOSA-N 0 3 372.425 1.176 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(OCC(F)(F)F)c2)c1 ZINC000566105883 547605822 /nfs/dbraw/zinc/60/58/22/547605822.db2.gz AFBFTBLJLYCHLE-ZDUSSCGKSA-N 0 3 374.319 1.883 20 5 FDBDHN CC(C)c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000566913977 547930217 /nfs/dbraw/zinc/93/02/17/547930217.db2.gz TVZUJHRYFGYPJF-UHFFFAOYSA-N 0 3 359.390 1.498 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@]1(O)CN2CCC1CC2 ZINC000568130179 548408749 /nfs/dbraw/zinc/40/87/49/548408749.db2.gz LVLJPVUXCXEIHD-SFHVURJKSA-N 0 3 358.398 1.192 20 5 FDBDHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568512119 548568865 /nfs/dbraw/zinc/56/88/65/548568865.db2.gz IIIACFCBNLHXAC-KRWDZBQOSA-N 0 3 368.393 1.296 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(N3CCCCC3)nc2)c1 ZINC000570675403 549370018 /nfs/dbraw/zinc/37/00/18/549370018.db2.gz KOAPJROINOBCPT-MRXNPFEDSA-N 0 3 360.418 1.327 20 5 FDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000571756620 549752003 /nfs/dbraw/zinc/75/20/03/549752003.db2.gz XZGFLAPEEBVLNZ-ZDUSSCGKSA-N 0 3 353.444 1.609 20 5 FDBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572485042 549926026 /nfs/dbraw/zinc/92/60/26/549926026.db2.gz FZMCVLDTQUGHGR-UHFFFAOYSA-N 0 3 358.826 1.519 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc2c1=O)NC1CCN(C2CC2)CC1 ZINC000572879625 550016919 /nfs/dbraw/zinc/01/69/19/550016919.db2.gz PHPMBGIZKYWLKX-UHFFFAOYSA-N 0 3 370.409 1.653 20 5 FDBDHN O=C(Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1)C1CCC1 ZINC000573083880 550059809 /nfs/dbraw/zinc/05/98/09/550059809.db2.gz HHOOZDFZDQMPGK-QGZVFWFLSA-N 0 3 373.413 1.681 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCN(C3CC3)C2)cc1 ZINC000573476541 550146660 /nfs/dbraw/zinc/14/66/60/550146660.db2.gz PMJBCBCYWYARRH-ZDUSSCGKSA-N 0 3 353.444 1.442 20 5 FDBDHN CS(=O)(=O)CC1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000574033312 550249241 /nfs/dbraw/zinc/24/92/41/550249241.db2.gz LNZMMQSMDLRHSS-AWEZNQCLSA-N 0 3 372.443 1.139 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000575069316 550420480 /nfs/dbraw/zinc/42/04/80/550420480.db2.gz VOAYKWBDNOMWED-DLBZAZTESA-N 0 3 365.430 1.131 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000579385163 550868163 /nfs/dbraw/zinc/86/81/63/550868163.db2.gz GYBBEARUBJIWRF-UHFFFAOYSA-N 0 3 355.460 1.789 20 5 FDBDHN Cc1ccccc1C[C@@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580646374 551004451 /nfs/dbraw/zinc/00/44/51/551004451.db2.gz HAZNGSAHOMSNTR-WMZOPIPTSA-N 0 3 360.410 1.836 20 5 FDBDHN CN(CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccncc1 ZINC000581115963 551053045 /nfs/dbraw/zinc/05/30/45/551053045.db2.gz ITFNZINFUCXZFC-UHFFFAOYSA-N 0 3 370.413 1.560 20 5 FDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581185736 551061360 /nfs/dbraw/zinc/06/13/60/551061360.db2.gz KYBQZDGXYLSZRT-CQSZACIVSA-N 0 3 355.350 1.940 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000581499717 551096414 /nfs/dbraw/zinc/09/64/14/551096414.db2.gz PYKQVAUQXMAXEQ-KOLCDFICSA-N 0 3 369.219 1.414 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588071890 551644643 /nfs/dbraw/zinc/64/46/43/551644643.db2.gz MUBNTHDDSSLIFM-QWHCGFSZSA-N 0 3 359.430 1.848 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860555 551694197 /nfs/dbraw/zinc/69/41/97/551694197.db2.gz HPKVSJXAXXWQAY-OLZOCXBDSA-N 0 3 356.382 1.424 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210285 551764919 /nfs/dbraw/zinc/76/49/19/551764919.db2.gz MYQHDXYSSOXGCV-QZTJIDSGSA-N 0 3 363.414 1.751 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590345029 551775293 /nfs/dbraw/zinc/77/52/93/551775293.db2.gz JERDZUXTIKFJKD-OAHLLOKOSA-N 0 3 362.430 1.657 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000590442780 551784997 /nfs/dbraw/zinc/78/49/97/551784997.db2.gz BEGJWUVYEITPIU-MAUKXSAKSA-N 0 3 358.442 1.974 20 5 FDBDHN COc1ccc(CSCC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590447049 551785806 /nfs/dbraw/zinc/78/58/06/551785806.db2.gz XZXLZBONISSGSZ-DZGCQCFKSA-N 0 3 365.455 1.999 20 5 FDBDHN COC(=O)Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000590694579 551806247 /nfs/dbraw/zinc/80/62/47/551806247.db2.gz QZVHKLILYIFQNB-OAHLLOKOSA-N 0 3 363.414 1.976 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000590768029 551815068 /nfs/dbraw/zinc/81/50/68/551815068.db2.gz LKXRZJQYMYGEBT-AWEZNQCLSA-N 0 3 351.403 1.109 20 5 FDBDHN CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](CN)C1 ZINC000591279331 551855480 /nfs/dbraw/zinc/85/54/80/551855480.db2.gz CTBVWCKOSPQBHF-SNVBAGLBSA-N 0 3 359.333 1.303 20 5 FDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591310973 551860444 /nfs/dbraw/zinc/86/04/44/551860444.db2.gz WFMBKRFAWWNNOA-UHFFFAOYSA-N 0 3 356.386 1.869 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCN(CC3CC3)C2)cc1 ZINC000591735090 551904885 /nfs/dbraw/zinc/90/48/85/551904885.db2.gz QMWHPLZNURGMIW-AWEZNQCLSA-N 0 3 353.444 1.442 20 5 FDBDHN C[S@@](=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000591750183 551906060 /nfs/dbraw/zinc/90/60/60/551906060.db2.gz WMMIUUIVIJZCOG-ODCWNRFASA-N 0 3 364.423 1.862 20 5 FDBDHN Cn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)n1 ZINC000591759812 551906765 /nfs/dbraw/zinc/90/67/65/551906765.db2.gz XJWHFYPXJBWDIO-MRXNPFEDSA-N 0 3 356.386 1.343 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000591985514 551923452 /nfs/dbraw/zinc/92/34/52/551923452.db2.gz PPLCPXNRSPACJP-SECBINFHSA-N 0 3 372.223 1.309 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000591986290 551923733 /nfs/dbraw/zinc/92/37/33/551923733.db2.gz ULLZXNXNMCSUGI-SNVBAGLBSA-N 0 3 371.235 1.914 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592193930 551956608 /nfs/dbraw/zinc/95/66/08/551956608.db2.gz GCTPPKZACZSUTJ-GXTWGEPZSA-N 0 3 365.386 1.088 20 5 FDBDHN COc1cc(CCNC(=O)[C@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000592480963 551999900 /nfs/dbraw/zinc/99/99/00/551999900.db2.gz QKLOMBOQNNBXCN-LLVKDONJSA-N 0 3 373.356 1.516 20 5 FDBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(C)C1 ZINC000592831701 552033247 /nfs/dbraw/zinc/03/32/47/552033247.db2.gz NVDBRJRHKPMLBM-CYBMUJFWSA-N 0 3 351.403 1.925 20 5 FDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593090483 552060875 /nfs/dbraw/zinc/06/08/75/552060875.db2.gz XZVCDPKXBHNNLB-WMZOPIPTSA-N 0 3 359.430 1.011 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000593168693 552069308 /nfs/dbraw/zinc/06/93/08/552069308.db2.gz QPTOXZJMUKBOOL-SJORKVTESA-N 0 3 369.425 1.924 20 5 FDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O ZINC000593486411 552115991 /nfs/dbraw/zinc/11/59/91/552115991.db2.gz WGADFFHLCHMREN-UHFFFAOYSA-N 0 3 360.336 1.824 20 5 FDBDHN CN1CCC(n2ccc(=NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000593630573 552156490 /nfs/dbraw/zinc/15/64/90/552156490.db2.gz WIEKXRAOBLVPAB-UHFFFAOYSA-N 0 3 372.385 1.635 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000595018013 552438087 /nfs/dbraw/zinc/43/80/87/552438087.db2.gz ZNMKXYJRADEXNF-LBPRGKRZSA-N 0 3 371.459 1.926 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)c(C(F)(F)F)c1 ZINC000595119943 552457249 /nfs/dbraw/zinc/45/72/49/552457249.db2.gz BOIJFBULQLNKIR-UHFFFAOYSA-N 0 3 365.333 1.644 20 5 FDBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000595554995 552583863 /nfs/dbraw/zinc/58/38/63/552583863.db2.gz VWEFUZRYAWDQMD-CTHBEMJXSA-N 0 3 354.407 1.204 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595631489 552595417 /nfs/dbraw/zinc/59/54/17/552595417.db2.gz JCWBGDLPWPJJLU-KBRIMQKVSA-N 0 3 365.430 1.713 20 5 FDBDHN COc1cc(CCNC(=O)C2(N)CC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000595923748 552633826 /nfs/dbraw/zinc/63/38/26/552633826.db2.gz ZSSXIYUILLUUDP-UHFFFAOYSA-N 0 3 363.414 1.932 20 5 FDBDHN C[C@]1(F)CNCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596012890 552644214 /nfs/dbraw/zinc/64/42/14/552644214.db2.gz BZJGDEYGUWKOFR-INIZCTEOSA-N 0 3 356.373 1.708 20 5 FDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]C1 ZINC000596050602 552649881 /nfs/dbraw/zinc/64/98/81/552649881.db2.gz MANRYBWDXKWVMP-LLVKDONJSA-N 0 3 353.322 1.644 20 5 FDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000596049288 552649925 /nfs/dbraw/zinc/64/99/25/552649925.db2.gz DFJGOSUFGGXGQV-NSHDSACASA-N 0 3 355.338 1.289 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1=CCN(C)CC1 ZINC000596187424 552662970 /nfs/dbraw/zinc/66/29/70/552662970.db2.gz ZYRYHOPCUSXSMP-UHFFFAOYSA-N 0 3 368.459 1.957 20 5 FDBDHN Cc1cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596820350 552714343 /nfs/dbraw/zinc/71/43/43/552714343.db2.gz JKBJGKFOKZJAFR-UHFFFAOYSA-N 0 3 351.407 1.387 20 5 FDBDHN CN1CCC(O)(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597105184 552748025 /nfs/dbraw/zinc/74/80/25/552748025.db2.gz XBYAEXQRDMPYCH-UHFFFAOYSA-N 0 3 357.798 1.409 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859637 552841851 /nfs/dbraw/zinc/84/18/51/552841851.db2.gz WQDOVPHOROBNPO-WFASDCNBSA-N 0 3 362.430 1.702 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000598341664 552887512 /nfs/dbraw/zinc/88/75/12/552887512.db2.gz FOYNLCVOMLXPRN-CYBMUJFWSA-N 0 3 358.402 1.698 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598535854 552906640 /nfs/dbraw/zinc/90/66/40/552906640.db2.gz JSZRMYHXDPMUBB-ZDUSSCGKSA-N 0 3 362.430 1.892 20 5 FDBDHN CN(C)[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1 ZINC000598587381 552911802 /nfs/dbraw/zinc/91/18/02/552911802.db2.gz PHWPULKUZGMIGC-OAHLLOKOSA-N 0 3 372.429 1.936 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897984 552941210 /nfs/dbraw/zinc/94/12/10/552941210.db2.gz NJPCAKIKHXOAJS-GXTWGEPZSA-N 0 3 363.418 1.657 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598903440 552942379 /nfs/dbraw/zinc/94/23/79/552942379.db2.gz MVLIABHSUTVBEG-OAHLLOKOSA-N 0 3 363.418 1.657 20 5 FDBDHN CN1CCN(CC2CN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000599109603 552969174 /nfs/dbraw/zinc/96/91/74/552969174.db2.gz VEYBZARFGISEKN-UHFFFAOYSA-N 0 3 370.251 1.436 20 5 FDBDHN NC(=O)c1cn(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000599575083 553092713 /nfs/dbraw/zinc/09/27/13/553092713.db2.gz KSBZRKXFAZSIAS-UHFFFAOYSA-N 0 3 360.374 1.001 20 5 FDBDHN COC(=O)[C@@](C)(NC[C@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599655729 553114611 /nfs/dbraw/zinc/11/46/11/553114611.db2.gz WSDYWWAYXXVHBA-RDJZCZTQSA-N 0 3 351.403 1.028 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000599684687 553121550 /nfs/dbraw/zinc/12/15/50/553121550.db2.gz GGFZJBZUTKXSGH-AEGPPILISA-N 0 3 364.358 1.146 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084873 553706978 /nfs/dbraw/zinc/70/69/78/553706978.db2.gz WXNNHSAYQMNVJD-UHFFFAOYSA-N 0 3 358.402 1.624 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)n1 ZINC000603145979 553715497 /nfs/dbraw/zinc/71/54/97/553715497.db2.gz PAUSGPDKLQFLMI-TZMCWYRMSA-N 0 3 358.320 1.915 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603429155 553786278 /nfs/dbraw/zinc/78/62/78/553786278.db2.gz USTCJRDMDBAUQZ-GOSISDBHSA-N 0 3 362.474 1.789 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000608860253 554325488 /nfs/dbraw/zinc/32/54/88/554325488.db2.gz IHKGQRSKSZBDJZ-OAHLLOKOSA-N 0 3 369.377 1.684 20 5 FDBDHN CN1CCC(N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2)CC1 ZINC000609566875 554394931 /nfs/dbraw/zinc/39/49/31/554394931.db2.gz TVEUSNUGEIUALI-UHFFFAOYSA-N 0 3 370.409 1.884 20 5 FDBDHN CN(C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000610180364 554471504 /nfs/dbraw/zinc/47/15/04/554471504.db2.gz AKFOTEXFHAYPOT-UHFFFAOYSA-N 0 3 371.441 1.742 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000610810609 554565197 /nfs/dbraw/zinc/56/51/97/554565197.db2.gz IRGWNCRSJDAQFW-CQSZACIVSA-N 0 3 370.475 1.131 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000612576185 554809017 /nfs/dbraw/zinc/80/90/17/554809017.db2.gz SNBTYXWBQDPAQL-CYBMUJFWSA-N 0 3 355.460 1.688 20 5 FDBDHN O=C1C[C@]2(CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000619057088 555717849 /nfs/dbraw/zinc/71/78/49/555717849.db2.gz VLBNDRJPGBIQPY-QGZVFWFLSA-N 0 3 360.370 1.105 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000619583452 555803906 /nfs/dbraw/zinc/80/39/06/555803906.db2.gz JXHMFIPBEOHTBP-OAHLLOKOSA-N 0 3 365.430 1.899 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000366034554 568262870 /nfs/dbraw/zinc/26/28/70/568262870.db2.gz RZSJBIXOUHRSMH-AWEZNQCLSA-N 0 3 364.421 1.834 20 5 FDBDHN CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736850719 598772698 /nfs/dbraw/zinc/77/26/98/598772698.db2.gz AOHPMDZRYDNLLD-GFCCVEGCSA-N 0 3 372.433 1.355 20 5 FDBDHN CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736850719 598772700 /nfs/dbraw/zinc/77/27/00/598772700.db2.gz AOHPMDZRYDNLLD-GFCCVEGCSA-N 0 3 372.433 1.355 20 5 FDBDHN CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821564113 606300426 /nfs/dbraw/zinc/30/04/26/606300426.db2.gz ULGSWSGGIPUJCS-UHFFFAOYSA-N 0 3 361.391 1.039 20 5 FDBDHN CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821564113 606300428 /nfs/dbraw/zinc/30/04/28/606300428.db2.gz ULGSWSGGIPUJCS-UHFFFAOYSA-N 0 3 361.391 1.039 20 5 FDBDHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273420301 674535304 /nfs/dbraw/zinc/53/53/04/674535304.db2.gz YVHAMWCGMJDOAQ-UONOGXRCSA-N 0 3 352.387 1.610 20 5 FDBDHN C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000820770250 606803932 /nfs/dbraw/zinc/80/39/32/606803932.db2.gz ZXPYLKMUZMDSKA-BONVTDFDSA-N 0 3 368.401 1.709 20 5 FDBDHN C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000820770250 606803933 /nfs/dbraw/zinc/80/39/33/606803933.db2.gz ZXPYLKMUZMDSKA-BONVTDFDSA-N 0 3 368.401 1.709 20 5 FDBDHN Cc1cnc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000277266361 674903114 /nfs/dbraw/zinc/90/31/14/674903114.db2.gz AEFOLCBXQURSAG-AWEZNQCLSA-N 0 3 351.432 1.797 20 5 FDBDHN C[C@@H]1NCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000262704151 672832721 /nfs/dbraw/zinc/83/27/21/672832721.db2.gz BGJRFCXSJUVVQA-UWVGGRQHSA-N 0 3 354.794 1.187 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000267242559 673276030 /nfs/dbraw/zinc/27/60/30/673276030.db2.gz MUSPTLZBKFHEND-UHFFFAOYSA-N 0 3 372.267 1.826 20 5 FDBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCCO)c1 ZINC000289709566 676169727 /nfs/dbraw/zinc/16/97/27/676169727.db2.gz CFXXTAHDCIAVRX-UHFFFAOYSA-N 0 3 366.155 1.298 20 5 FDBDHN C[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000363818122 676974766 /nfs/dbraw/zinc/97/47/66/676974766.db2.gz GYEQIGGAFWYRCE-YUTCNCBUSA-N 0 3 351.378 1.817 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370412176 677575199 /nfs/dbraw/zinc/57/51/99/677575199.db2.gz HSNPBTNLIGQYSU-UHFFFAOYSA-N 0 3 351.403 1.279 20 5 FDBDHN CCc1nn(C)c(N2CCCC[C@@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377173663 678471992 /nfs/dbraw/zinc/47/19/92/678471992.db2.gz ACSKVKPNOUPVIB-CQSZACIVSA-N 0 3 350.467 1.497 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000411314258 679014821 /nfs/dbraw/zinc/01/48/21/679014821.db2.gz DHRTYBDUUZYPCL-GFCCVEGCSA-N 0 3 369.443 1.732 20 5 FDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411826580 679078312 /nfs/dbraw/zinc/07/83/12/679078312.db2.gz ZCQXRDPESCLIJW-UHFFFAOYSA-N 0 3 352.391 1.436 20 5 FDBDHN COc1ccc(OCCN2C[C@H](C)N(CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419336982 680238860 /nfs/dbraw/zinc/23/88/60/680238860.db2.gz XQMRORADUYGQPH-UONOGXRCSA-N 0 3 353.419 1.369 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000435800928 681636946 /nfs/dbraw/zinc/63/69/46/681636946.db2.gz UMPBRDFFIXOGQI-HUUCEWRRSA-N 0 3 353.444 1.786 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475093688 685558195 /nfs/dbraw/zinc/55/81/95/685558195.db2.gz HRZVNLQWINZFAR-CHWSQXEVSA-N 0 3 351.403 1.671 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475582446 685616280 /nfs/dbraw/zinc/61/62/80/685616280.db2.gz NHQMHSFAJZUGII-UHFFFAOYSA-N 0 3 351.403 1.673 20 5 FDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000452089241 683022540 /nfs/dbraw/zinc/02/25/40/683022540.db2.gz SUMLABUITFGKAZ-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN COC(=O)C[C@@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000464591235 684752829 /nfs/dbraw/zinc/75/28/29/684752829.db2.gz HOLPRKVZFGGMFV-INIZCTEOSA-N 0 3 354.359 1.294 20 5 FDBDHN COc1ccc(NC(=O)CCN2C[C@@H](OC)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000488088192 687025501 /nfs/dbraw/zinc/02/55/01/687025501.db2.gz IAQXDVZLAJNPRM-HUUCEWRRSA-N 0 3 353.375 1.278 20 5 FDBDHN CS[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000495580460 687627720 /nfs/dbraw/zinc/62/77/20/687627720.db2.gz KCXXPSRYFTZEPS-GJZGRUSLSA-N 0 3 352.460 1.535 20 5 FDBDHN CN(CCCO)C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497537991 687686490 /nfs/dbraw/zinc/68/64/90/687686490.db2.gz WMHYSUHXODATOY-UHFFFAOYSA-N 0 3 371.459 1.281 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000511106081 689468796 /nfs/dbraw/zinc/46/87/96/689468796.db2.gz KMTDLQRDIOPURD-HLLBOEOZSA-N 0 3 351.447 1.539 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCn3ccnc3C2)cc1 ZINC000515188024 689825826 /nfs/dbraw/zinc/82/58/26/689825826.db2.gz KUDXTLIIQAZHOS-LBPRGKRZSA-N 0 3 350.400 1.170 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517461692 690069136 /nfs/dbraw/zinc/06/91/36/690069136.db2.gz LOGIOPVPEUBKHS-NSHDSACASA-N 0 3 351.359 1.164 20 5 FDBDHN COc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000517868479 690098323 /nfs/dbraw/zinc/09/83/23/690098323.db2.gz UFPKIRPVNNEJGO-CQSZACIVSA-N 0 3 351.403 1.786 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC001164686050 719723361 /nfs/dbraw/zinc/72/33/61/719723361.db2.gz OPSYOSSIPWWJDA-UHFFFAOYSA-N 0 3 361.446 1.787 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364427619 785055587 /nfs/dbraw/zinc/05/55/87/785055587.db2.gz JTECFNLLSBMPMD-INIZCTEOSA-N 0 3 360.414 1.078 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000364926683 785232015 /nfs/dbraw/zinc/23/20/15/785232015.db2.gz CNKXMLSRAGYNHY-OAHLLOKOSA-N 0 3 361.446 1.418 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000500133397 795526041 /nfs/dbraw/zinc/52/60/41/795526041.db2.gz PWBRFXPONSCDFN-IBGZPJMESA-N 0 3 370.409 1.544 20 5 FDBDHN O=C1CN([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c2ccccc2N1 ZINC000759913162 796177723 /nfs/dbraw/zinc/17/77/23/796177723.db2.gz ZVRWRIHGPJAWEE-ZDUSSCGKSA-N 0 3 356.386 1.324 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1nc3ccccc3o1)C2 ZINC000981765049 808451206 /nfs/dbraw/zinc/45/12/06/808451206.db2.gz NWZVOUGPOMLKLS-UKRRQHHQSA-N 0 3 370.409 1.917 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000425048119 815507444 /nfs/dbraw/zinc/50/74/44/815507444.db2.gz NUCJYCVIXNQDQI-BLLLJJGKSA-N 0 3 361.398 1.938 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2C(=O)NC)c([N+](=O)[O-])c1 ZINC000502855845 814293871 /nfs/dbraw/zinc/29/38/71/814293871.db2.gz LAQZWYVJHKYGCF-QWHCGFSZSA-N 0 3 364.402 1.436 20 5 FDBDHN CNc1nccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000516979977 817146674 /nfs/dbraw/zinc/14/66/74/817146674.db2.gz SYZICIHDHGGBMJ-AWEZNQCLSA-N 0 3 357.414 1.934 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425818540 817146899 /nfs/dbraw/zinc/14/68/99/817146899.db2.gz YNNSTMDMCGDUFV-SMDDNHRTSA-N 0 3 362.386 1.095 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4OCCN[C@H]4C3)o2)c1 ZINC000517576702 817491323 /nfs/dbraw/zinc/49/13/23/817491323.db2.gz SMIDUNIVAFTKHA-HOTGVXAUSA-N 0 3 358.398 1.855 20 5 FDBDHN Nc1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487522252 828501067 /nfs/dbraw/zinc/50/10/67/828501067.db2.gz CFXIBKWPKGOZID-LJQANCHMSA-N 0 3 370.409 1.544 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000896316730 824310871 /nfs/dbraw/zinc/31/08/71/824310871.db2.gz GJKJGEWWKHAOTB-KBRIMQKVSA-N 0 3 362.430 1.896 20 5 FDBDHN COCCN1CCC(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000281240732 825921462 /nfs/dbraw/zinc/92/14/62/825921462.db2.gz NPIHAFXWELFKNE-UHFFFAOYSA-N 0 3 365.430 1.899 20 5 FDBDHN CN1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000281817012 826265746 /nfs/dbraw/zinc/26/57/46/826265746.db2.gz QRZWHZBBVFERTP-UHFFFAOYSA-N 0 3 364.402 1.079 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220041 827180411 /nfs/dbraw/zinc/18/04/11/827180411.db2.gz RPJQYQFELVNDDT-QZTJIDSGSA-N 0 3 374.441 1.522 20 5 FDBDHN Cc1[nH]nc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000444463738 828112344 /nfs/dbraw/zinc/11/23/44/828112344.db2.gz YGWDLLYREXMMOE-UHFFFAOYSA-N 0 3 359.386 1.835 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COC3CCOCC3)C2)nc1 ZINC000440494241 828161059 /nfs/dbraw/zinc/16/10/59/828161059.db2.gz KXPHUSFLTQJGNI-HIFRSBDPSA-N 0 3 366.418 1.033 20 5 FDBDHN C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2)C1 ZINC000448519797 829159623 /nfs/dbraw/zinc/15/96/23/829159623.db2.gz LBFAOPUIHQGJRH-LBPRGKRZSA-N 0 3 372.385 1.483 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448915494 829298475 /nfs/dbraw/zinc/29/84/75/829298475.db2.gz ZZAAJYRHPRZDEL-OAHLLOKOSA-N 0 3 373.413 1.621 20 5 FDBDHN O=C(CN1CCNC[C@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261613452 837246871 /nfs/dbraw/zinc/24/68/71/837246871.db2.gz CFAYYWWODYXLAQ-SFHVURJKSA-N 0 3 367.409 1.525 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261667723 837251576 /nfs/dbraw/zinc/25/15/76/837251576.db2.gz BRLYTBYHVWNVEI-AWEZNQCLSA-N 0 3 358.402 1.222 20 5 FDBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000899663380 846559165 /nfs/dbraw/zinc/55/91/65/846559165.db2.gz CMXSWQMHHRHEHT-GJZGRUSLSA-N 0 3 350.444 1.823 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000485655067 852659103 /nfs/dbraw/zinc/65/91/03/852659103.db2.gz GVZPMSAKHZWAFV-CXAGYDPISA-N 0 3 364.421 1.832 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000907563181 854367189 /nfs/dbraw/zinc/36/71/89/854367189.db2.gz BFSPXPISCIQCPS-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488508179 858142991 /nfs/dbraw/zinc/14/29/91/858142991.db2.gz ADKCXZUXWSOHGQ-MRXNPFEDSA-N 0 3 365.430 1.919 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000912604264 859944675 /nfs/dbraw/zinc/94/46/75/859944675.db2.gz WWUAHMFILJFWSM-UHFFFAOYSA-N 0 3 350.202 1.898 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916662188 881995939 /nfs/dbraw/zinc/99/59/39/881995939.db2.gz OAUJNRNTWAXGRI-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000457893499 867751508 /nfs/dbraw/zinc/75/15/08/867751508.db2.gz BCJKABJTKDEBEJ-HNNXBMFYSA-N 0 3 366.418 1.249 20 5 FDBDHN Cn1ccnc1[C@H](NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521722 877723401 /nfs/dbraw/zinc/72/34/01/877723401.db2.gz LHBIRNSOMIENNT-GOSISDBHSA-N 0 3 372.473 1.645 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272590908 877983806 /nfs/dbraw/zinc/98/38/06/877983806.db2.gz HUQVZYPJPPTQNV-BLLLJJGKSA-N 0 3 356.386 1.342 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265867168 878321533 /nfs/dbraw/zinc/32/15/33/878321533.db2.gz USSXCBDVMZBDJC-INIZCTEOSA-N 0 3 364.446 1.937 20 5 FDBDHN Cc1noc(C)c1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034816292 885147239 /nfs/dbraw/zinc/14/72/39/885147239.db2.gz LEETZKJCLCOGKN-NVXWUHKLSA-N 0 3 358.398 1.863 20 5 FDBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000429306561 887901210 /nfs/dbraw/zinc/90/12/10/887901210.db2.gz GFEPGZULVCTZAC-LLVKDONJSA-N 0 3 371.349 1.725 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000923275539 888701928 /nfs/dbraw/zinc/70/19/28/888701928.db2.gz QIHTUOVTNKCQOT-LSDHHAIUSA-N 0 3 374.441 1.740 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000923308117 888816087 /nfs/dbraw/zinc/81/60/87/888816087.db2.gz BVEUHLNFASKKQG-GXTWGEPZSA-N 0 3 374.397 1.015 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3OCCN[C@H]3C2)c1 ZINC000923384605 889067569 /nfs/dbraw/zinc/06/75/69/889067569.db2.gz IWZSNXKRRGQQBT-UONOGXRCSA-N 0 3 356.220 1.920 20 5 FDBDHN CN(C)C(=O)CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268456766 891043159 /nfs/dbraw/zinc/04/31/59/891043159.db2.gz JYACQSAJTAIXIG-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCCN(C)C1 ZINC000731635966 918296391 /nfs/dbraw/zinc/29/63/91/918296391.db2.gz RLIBUHOHAYFLPV-LBPRGKRZSA-N 0 3 351.359 1.005 20 5 FDBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCN(C2CCC2)CC1 ZINC000733295820 920961752 /nfs/dbraw/zinc/96/17/52/920961752.db2.gz DYHUSCWFASFETJ-UHFFFAOYSA-N 0 3 369.425 1.946 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000747588753 940950306 /nfs/dbraw/zinc/95/03/06/940950306.db2.gz OZZFTDQARJYKQN-UHFFFAOYSA-N 0 3 365.390 1.179 20 5 FDBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001132750216 941117803 /nfs/dbraw/zinc/11/78/03/941117803.db2.gz FFBFICZXUARIJO-KGLIPLIRSA-N 0 3 374.401 1.406 20 5 FDBDHN CC(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813100154 941325391 /nfs/dbraw/zinc/32/53/91/941325391.db2.gz OBBLZDRVDMLAKF-WDEREUQCSA-N 0 3 362.429 1.500 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813104134 941326809 /nfs/dbraw/zinc/32/68/09/941326809.db2.gz KPGJYAFBOIQOHL-CMPLNLGQSA-N 0 3 350.327 1.228 20 5 FDBDHN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106400 941333854 /nfs/dbraw/zinc/33/38/54/941333854.db2.gz CLHJEDIPDMUBCD-WDEREUQCSA-N 0 3 359.404 1.188 20 5 FDBDHN CCn1c(=O)[nH]c(=O)c2c(C(=O)OCC(C)[N+](=O)[O-])cc(C3CC3)nc21 ZINC000813112489 941335773 /nfs/dbraw/zinc/33/57/73/941335773.db2.gz QRFXYADPBVQQFC-MRVPVSSYSA-N 0 3 362.342 1.216 20 5 FDBDHN COc1ccc([C@@H]2[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000813112571 941335903 /nfs/dbraw/zinc/33/59/03/941335903.db2.gz INWBENBMZCMHHM-DJSGYFEHSA-N 0 3 350.371 1.813 20 5 FDBDHN C[C@H]1[C@@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000816469668 942206186 /nfs/dbraw/zinc/20/61/86/942206186.db2.gz BGDKPZCFZZNRFG-ZFWWWQNUSA-N 0 3 359.386 1.783 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000819336250 943531190 /nfs/dbraw/zinc/53/11/90/943531190.db2.gz CWJFALHBCYBGQN-XJKSGUPXSA-N 0 3 362.407 1.789 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000820263481 943984777 /nfs/dbraw/zinc/98/47/77/943984777.db2.gz GBPHYCLYDKTLJH-PELKAZGASA-N 0 3 369.219 1.716 20 5 FDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001136587294 945003429 /nfs/dbraw/zinc/00/34/29/945003429.db2.gz OIWCZADGRITNPR-UHFFFAOYSA-N 0 3 359.390 1.127 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856490861 971188015 /nfs/dbraw/zinc/18/80/15/971188015.db2.gz SPSONFXHOFIFRF-CQSZACIVSA-N 0 3 352.366 1.762 20 5 FDBDHN C/C(=C/C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844036053 947636333 /nfs/dbraw/zinc/63/63/33/947636333.db2.gz PWKSFTZYNUKLNN-FZDNWWAKSA-N 0 3 360.414 1.577 20 5 FDBDHN C[C@@H]1CN(CCO)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001171099356 947678594 /nfs/dbraw/zinc/67/85/94/947678594.db2.gz SLGJSWQAWBDLGD-GFCCVEGCSA-N 0 3 354.382 1.061 20 5 FDBDHN C[C@@H]1[C@H](COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCN1C ZINC000845815659 949975764 /nfs/dbraw/zinc/97/57/64/949975764.db2.gz HJXGQHJUQAWGQL-MNOVXSKESA-N 0 3 356.400 1.495 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001183886119 963326673 /nfs/dbraw/zinc/32/66/73/963326673.db2.gz QNKIIJIKPTXHIN-GYSYKLTISA-N 0 3 355.416 1.335 20 5 FDBDHN CC(C)c1nnc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001178458410 964244315 /nfs/dbraw/zinc/24/43/15/964244315.db2.gz GCTWKSVBLJORTN-CHWSQXEVSA-N 0 3 353.423 1.624 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(CC)CC1(C)C ZINC001178861019 964535716 /nfs/dbraw/zinc/53/57/16/964535716.db2.gz QETIDBMXRLACNR-STQMWFEESA-N 0 3 366.466 1.674 20 5 FDBDHN CCN(Cc1nccn1CC)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712970 1013853734 /nfs/dbraw/zinc/85/37/34/1013853734.db2.gz CZQNAICYGYSRIQ-HZPDHXFCSA-N 0 3 363.462 1.629 20 5 FDBDHN COc1cnccc1N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865751131 974462597 /nfs/dbraw/zinc/46/25/97/974462597.db2.gz VXKXCEJARINXHF-UHFFFAOYSA-N 0 3 362.361 1.956 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000867428729 975239466 /nfs/dbraw/zinc/23/94/66/975239466.db2.gz NQYHPPDWTXYQSP-HNNXBMFYSA-N 0 3 360.414 1.216 20 5 FDBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776276724 975290451 /nfs/dbraw/zinc/29/04/51/975290451.db2.gz JHJWIFLTHVQWAX-IXDOHACOSA-N 0 3 350.415 1.880 20 5 FDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)C1CCOCC1 ZINC000866366889 975577237 /nfs/dbraw/zinc/57/72/37/975577237.db2.gz CNXDRRDCBYCKRY-LBPRGKRZSA-N 0 3 374.434 1.848 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582492 976913125 /nfs/dbraw/zinc/91/31/25/976913125.db2.gz MSXPOBHQOWHJSH-JSGCOSHPSA-N 0 3 371.340 1.546 20 5 FDBDHN CNc1nccc(C(=O)OCCCN2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000848791315 977112277 /nfs/dbraw/zinc/11/22/77/977112277.db2.gz XMLLUDRNRHVXMR-UHFFFAOYSA-N 0 3 365.434 1.604 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849566832 977764105 /nfs/dbraw/zinc/76/41/05/977764105.db2.gz DOAHCVMEQKBHBF-ROUUACIJSA-N 0 3 371.441 1.723 20 5 FDBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC001202611477 982663893 /nfs/dbraw/zinc/66/38/93/982663893.db2.gz IYJGFQWYNLURON-IINYFYTJSA-N 0 3 362.329 1.641 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000859523409 982893486 /nfs/dbraw/zinc/89/34/86/982893486.db2.gz PSCHHVCMPXZAIP-DLBZAZTESA-N 0 3 350.415 1.882 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001137205220 982991665 /nfs/dbraw/zinc/99/16/65/982991665.db2.gz WATOPUBILSXPHV-VXGBXAGGSA-N 0 3 351.407 1.191 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859317 985706892 /nfs/dbraw/zinc/70/68/92/985706892.db2.gz XNPRMXBBNVQZSA-HNNXBMFYSA-N 0 3 363.414 1.977 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000885863398 985717462 /nfs/dbraw/zinc/71/74/62/985717462.db2.gz QGZFUBHHZQZSKN-HNNXBMFYSA-N 0 3 363.414 1.733 20 5 FDBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872261594 987555995 /nfs/dbraw/zinc/55/59/95/987555995.db2.gz IADVJCKKFJEDEQ-GFOFROLCSA-N 0 3 350.415 1.816 20 5 FDBDHN NC(=O)c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000292932161 987936960 /nfs/dbraw/zinc/93/69/60/987936960.db2.gz ZLAXOGGPXIQHON-MRXNPFEDSA-N 0 3 370.409 1.525 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000366195159 988528817 /nfs/dbraw/zinc/52/88/17/988528817.db2.gz KYHOPUNZCDERQE-HNNXBMFYSA-N 0 3 362.430 1.766 20 5 FDBDHN COc1cccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000363273491 989053246 /nfs/dbraw/zinc/05/32/46/989053246.db2.gz RIGHZRCYURRUAG-QGZVFWFLSA-N 0 3 358.398 1.950 20 5 FDBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ncc([N+](=O)[O-])cn1 ZINC000363887840 989455287 /nfs/dbraw/zinc/45/52/87/989455287.db2.gz VDHQQZXNHYFXGW-UHFFFAOYSA-N 0 3 360.422 1.181 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000874840156 990564316 /nfs/dbraw/zinc/56/43/16/990564316.db2.gz KHXNSUFIKXSIRM-HOTGVXAUSA-N 0 3 356.386 1.484 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@]1(CO)CCc2ccccc21 ZINC000371746324 990683955 /nfs/dbraw/zinc/68/39/55/990683955.db2.gz IIPCEDQZWHVPQH-KXBFYZLASA-N 0 3 358.394 1.758 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000875079024 990849459 /nfs/dbraw/zinc/84/94/59/990849459.db2.gz QDAVHAHWMPSIQX-SJORKVTESA-N 0 3 369.425 1.953 20 5 FDBDHN CN1CCC[C@@]2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1=O ZINC000372548138 991202683 /nfs/dbraw/zinc/20/26/83/991202683.db2.gz QHGQFGXQCJZFKX-LPHOPBHVSA-N 0 3 372.425 1.644 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467027755 993256207 /nfs/dbraw/zinc/25/62/07/993256207.db2.gz BGZNIVRQQKOZPI-SMDDNHRTSA-N 0 3 361.398 1.507 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468696490 993608747 /nfs/dbraw/zinc/60/87/47/993608747.db2.gz WKMGOTGJZVZKMK-SJKOYZFVSA-N 0 3 360.414 1.850 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(NC(N)=O)CC1 ZINC000266875731 999253908 /nfs/dbraw/zinc/25/39/08/999253908.db2.gz SZEZZCXBONBXQS-UHFFFAOYSA-N 0 3 365.390 1.065 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000270846296 999624361 /nfs/dbraw/zinc/62/43/61/999624361.db2.gz LHYVFKHQWBUIOH-HUUCEWRRSA-N 0 3 359.382 1.801 20 5 FDBDHN CN(C)C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000289272542 1000086536 /nfs/dbraw/zinc/08/65/36/1000086536.db2.gz RTGKLMJTIUKHEN-OAHLLOKOSA-N 0 3 364.381 1.533 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000289782151 1000118822 /nfs/dbraw/zinc/11/88/22/1000118822.db2.gz LFUSUBLUMZOYNF-UHFFFAOYSA-N 0 3 360.458 1.889 20 5 FDBDHN CN1CCN(CCCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929422780 1002034669 /nfs/dbraw/zinc/03/46/69/1002034669.db2.gz WQRKDVHYYLTFED-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC000931489608 1004208466 /nfs/dbraw/zinc/20/84/66/1004208466.db2.gz MXPPKTDOEWIQKL-XYJFISCASA-N 0 3 357.414 1.111 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704078 1005111095 /nfs/dbraw/zinc/11/10/95/1005111095.db2.gz SETRVUMYKMQWKU-ZTFGCOKTSA-N 0 3 360.458 1.841 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccc3c(c2)OCCO3)CC1 ZINC000933998786 1005677302 /nfs/dbraw/zinc/67/73/02/1005677302.db2.gz ANUGASUDGVGDDR-UHFFFAOYSA-N 0 3 357.366 1.807 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000935981993 1006202657 /nfs/dbraw/zinc/20/26/57/1006202657.db2.gz AXUHYJVGXPGGOR-CHWSQXEVSA-N 0 3 367.833 1.848 20 5 FDBDHN C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1=CCN(C)CC1 ZINC000512125852 538969584 /nfs/dbraw/zinc/96/95/84/538969584.db2.gz WUYDOKHZPXEFQM-LBPRGKRZSA-N 0 3 374.397 1.087 20 5 FDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN1CCN(C)CC1 ZINC000265087746 179284079 /nfs/dbraw/zinc/28/40/79/179284079.db2.gz BMRSLUGTBDMXSR-ZDUSSCGKSA-N 0 3 368.409 1.112 20 5 FDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000265280993 179329868 /nfs/dbraw/zinc/32/98/68/179329868.db2.gz XFSLRHAPBMVEBQ-NSHDSACASA-N 0 3 371.415 1.081 20 5 FDBDHN CCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000265352035 179349164 /nfs/dbraw/zinc/34/91/64/179349164.db2.gz CBBAZVJNKBFGAH-UHFFFAOYSA-N 0 3 360.317 1.203 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000268250416 180035798 /nfs/dbraw/zinc/03/57/98/180035798.db2.gz WWYARWYKSALMJX-SJCJKPOMSA-N 0 3 355.398 1.993 20 5 FDBDHN CN(C)C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000269021150 180199299 /nfs/dbraw/zinc/19/92/99/180199299.db2.gz FGWANHQBDZMWDV-UHFFFAOYSA-N 0 3 372.429 1.190 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269486926 180313820 /nfs/dbraw/zinc/31/38/20/180313820.db2.gz XCPXPKMIAILEHM-UHFFFAOYSA-N 0 3 352.439 1.151 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269486926 180313822 /nfs/dbraw/zinc/31/38/22/180313822.db2.gz XCPXPKMIAILEHM-UHFFFAOYSA-N 0 3 352.439 1.151 20 5 FDBDHN COc1ccc(CC(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530646828 540014625 /nfs/dbraw/zinc/01/46/25/540014625.db2.gz KYRKVWPSTJHQII-MRXNPFEDSA-N 0 3 353.444 1.699 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000532398684 540159317 /nfs/dbraw/zinc/15/93/17/540159317.db2.gz PWXOGQBGSWUDGP-UHFFFAOYSA-N 0 3 356.338 1.294 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000533202841 540215196 /nfs/dbraw/zinc/21/51/96/540215196.db2.gz PKCYXVNSGXQMSE-IUODEOHRSA-N 0 3 361.398 1.922 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275262230 181274010 /nfs/dbraw/zinc/27/40/10/181274010.db2.gz JWTGFNQAJNCUIW-UONOGXRCSA-N 0 3 350.444 1.829 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OCCO)CC1 ZINC000534546058 540380042 /nfs/dbraw/zinc/38/00/42/540380042.db2.gz PADSYNUVSWEUFF-UHFFFAOYSA-N 0 3 351.403 1.705 20 5 FDBDHN O=C(NCCNc1ccncc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000536013941 540538699 /nfs/dbraw/zinc/53/86/99/540538699.db2.gz FIAIKUKRYPFPOF-UHFFFAOYSA-N 0 3 352.354 1.439 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1N(C)C ZINC000536546984 540613987 /nfs/dbraw/zinc/61/39/87/540613987.db2.gz DUQWVBJSPZNAGE-JSGCOSHPSA-N 0 3 367.427 1.484 20 5 FDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1cnccn1 ZINC000536693776 540640096 /nfs/dbraw/zinc/64/00/96/540640096.db2.gz NEUCOTMDSGZQMZ-UHFFFAOYSA-N 0 3 357.370 1.857 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000539480641 540964880 /nfs/dbraw/zinc/96/48/80/540964880.db2.gz NMDUDJGPBRZFCD-LSDHHAIUSA-N 0 3 352.460 1.819 20 5 FDBDHN CCc1nn(C)c(NC2CCN(CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000539860792 541001413 /nfs/dbraw/zinc/00/14/13/541001413.db2.gz YYHCWFQCYCDABX-UHFFFAOYSA-N 0 3 352.439 1.245 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000540491818 541066745 /nfs/dbraw/zinc/06/67/45/541066745.db2.gz ADQATOSJCBQHSP-UHFFFAOYSA-N 0 3 354.432 1.519 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114221 541152149 /nfs/dbraw/zinc/15/21/49/541152149.db2.gz LDYYMBITJFQVTP-ZDUSSCGKSA-N 0 3 350.419 1.819 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000542067996 541328446 /nfs/dbraw/zinc/32/84/46/541328446.db2.gz BLOMAUKMQZZTNH-ZDUSSCGKSA-N 0 3 362.386 1.239 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665504 541444471 /nfs/dbraw/zinc/44/44/71/541444471.db2.gz MQEIHUQDFVVHQQ-BLLLJJGKSA-N 0 3 353.444 1.441 20 5 FDBDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000543495159 541599696 /nfs/dbraw/zinc/59/96/96/541599696.db2.gz VNSAVQQMGPEORN-XHDPSFHLSA-N 0 3 364.402 1.182 20 5 FDBDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000283652172 182241832 /nfs/dbraw/zinc/24/18/32/182241832.db2.gz DIAMGDNXWZQAFJ-IJEWVQPXSA-N 0 3 358.402 1.206 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000283863690 182296857 /nfs/dbraw/zinc/29/68/57/182296857.db2.gz HNQOIVGFNNVECD-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000287331157 183265079 /nfs/dbraw/zinc/26/50/79/183265079.db2.gz VNWVYDAYRYDWNN-DYVFJYSZSA-N 0 3 370.413 1.874 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC(C(=O)OC)CC1 ZINC000288071211 183385415 /nfs/dbraw/zinc/38/54/15/183385415.db2.gz GVVORVQYUWEXBY-UHFFFAOYSA-N 0 3 353.423 1.807 20 5 FDBDHN COc1cc(OCC(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295371647 184064394 /nfs/dbraw/zinc/06/43/94/184064394.db2.gz OUNQBUYPFCQKNW-ZDUSSCGKSA-N 0 3 363.414 1.925 20 5 FDBDHN C[C@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296710280 184192854 /nfs/dbraw/zinc/19/28/54/184192854.db2.gz LWXJGDYCGZYCDK-SWLSCSKDSA-N 0 3 369.377 1.903 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969250 258271118 /nfs/dbraw/zinc/27/11/18/258271118.db2.gz VYTKMJIBTZLUFU-LBPRGKRZSA-N 0 3 351.407 1.065 20 5 FDBDHN CCc1n[n-]c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969250 258271119 /nfs/dbraw/zinc/27/11/19/258271119.db2.gz VYTKMJIBTZLUFU-LBPRGKRZSA-N 0 3 351.407 1.065 20 5 FDBDHN Cc1c(C(=O)NCCCN2CCC(O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172344682 258274738 /nfs/dbraw/zinc/27/47/38/258274738.db2.gz AYQGAPIPHZXNIP-UHFFFAOYSA-N 0 3 366.374 1.388 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173258882 258294525 /nfs/dbraw/zinc/29/45/25/258294525.db2.gz XMCBCYDLKLJAKY-OCCSQVGLSA-N 0 3 371.459 1.954 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000549819603 542948011 /nfs/dbraw/zinc/94/80/11/542948011.db2.gz LQXCAGXBSPIPAX-ZWKOTPCHSA-N 0 3 374.441 1.279 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000550087070 543002892 /nfs/dbraw/zinc/00/28/92/543002892.db2.gz ZMVSWRMAAHCMQI-HOCLYGCPSA-N 0 3 360.366 1.764 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000085456757 172218434 /nfs/dbraw/zinc/21/84/34/172218434.db2.gz HGSXMFWYWKURMP-ZIAGYGMSSA-N 0 3 353.423 1.187 20 5 FDBDHN O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000127079651 173063498 /nfs/dbraw/zinc/06/34/98/173063498.db2.gz VWUUSDZODXSPBP-CHWSQXEVSA-N 0 3 359.386 1.454 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1=O ZINC000135189582 173340889 /nfs/dbraw/zinc/34/08/89/173340889.db2.gz QCMQBSXQPAHHHM-HNNXBMFYSA-N 0 3 374.441 1.496 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000136136526 173357127 /nfs/dbraw/zinc/35/71/27/173357127.db2.gz PDMXNBQCCHCURE-UHFFFAOYSA-N 0 3 353.444 1.893 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177160357 174110737 /nfs/dbraw/zinc/11/07/37/174110737.db2.gz WISXIGIIXAAYAD-DGCLKSJQSA-N 0 3 356.386 1.531 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177528865 174139302 /nfs/dbraw/zinc/13/93/02/174139302.db2.gz LEUFAYKETNSYIX-NSHDSACASA-N 0 3 354.794 1.739 20 5 FDBDHN Cn1cc(CN2CCC[C@@H](OCCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179570393 258353880 /nfs/dbraw/zinc/35/38/80/258353880.db2.gz WHNDVJSTNDVZIE-QGZVFWFLSA-N 0 3 360.414 1.969 20 5 FDBDHN Cn1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000179909186 258359544 /nfs/dbraw/zinc/35/95/44/258359544.db2.gz HXXCOBPYNXTGJS-UHFFFAOYSA-N 0 3 374.397 1.036 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000180064743 258361483 /nfs/dbraw/zinc/36/14/83/258361483.db2.gz BCXVXPJQEDXBFK-GOEBONIOSA-N 0 3 353.444 1.636 20 5 FDBDHN COCCN1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173643807 258305795 /nfs/dbraw/zinc/30/57/95/258305795.db2.gz FRLNJEXDJIDYGW-CYBMUJFWSA-N 0 3 350.419 1.622 20 5 FDBDHN COCCN1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173642563 258306168 /nfs/dbraw/zinc/30/61/68/258306168.db2.gz BOQFAZBFMRDMLX-ZDUSSCGKSA-N 0 3 350.419 1.622 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)cc1Br ZINC000178916566 258339675 /nfs/dbraw/zinc/33/96/75/258339675.db2.gz SSGQKALEMQLYAH-MRVPVSSYSA-N 0 3 364.221 1.388 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCO1 ZINC000278652243 258504331 /nfs/dbraw/zinc/50/43/31/258504331.db2.gz SRUPFUBNEZEWCU-GFCCVEGCSA-N 0 3 365.386 1.554 20 5 FDBDHN COC(=O)c1cc(C)nc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000553509734 543649546 /nfs/dbraw/zinc/64/95/46/543649546.db2.gz GKBMNWWVFBPCKC-VXGBXAGGSA-N 0 3 354.432 1.567 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000553356708 543617548 /nfs/dbraw/zinc/61/75/48/543617548.db2.gz AOWRARIPIYDMLJ-LBPRGKRZSA-N 0 3 358.464 1.987 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559465293 544696770 /nfs/dbraw/zinc/69/67/70/544696770.db2.gz LUYNGBAUOTWKAE-MSOLQXFVSA-N 0 3 363.414 1.751 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)C1 ZINC000293658499 258889269 /nfs/dbraw/zinc/88/92/69/258889269.db2.gz HNUWZLNZWGSAHR-KRWDZBQOSA-N 0 3 356.386 1.343 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000299517733 259002961 /nfs/dbraw/zinc/00/29/61/259002961.db2.gz CQDJJEOZCHQLEE-ZFWWWQNUSA-N 0 3 362.430 1.949 20 5 FDBDHN CCN1CCCC[C@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000301242153 259024432 /nfs/dbraw/zinc/02/44/32/259024432.db2.gz OMJPCGHSJOKDMK-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000302415972 259042070 /nfs/dbraw/zinc/04/20/70/259042070.db2.gz HVCCQDWJOPMLIV-KRWDZBQOSA-N 0 3 358.402 1.040 20 5 FDBDHN CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000331376981 259190224 /nfs/dbraw/zinc/19/02/24/259190224.db2.gz DSGFXUJQLDTJER-KBPBESRZSA-N 0 3 367.475 1.565 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C ZINC000332545259 259275884 /nfs/dbraw/zinc/27/58/84/259275884.db2.gz MKLKEMHFWIWFHH-HUUCEWRRSA-N 0 3 361.446 1.909 20 5 FDBDHN Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367400098 260035667 /nfs/dbraw/zinc/03/56/67/260035667.db2.gz SPQKYMBNLGGKDN-GFCCVEGCSA-N 0 3 364.402 1.235 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(C3CC3)CCOCC2)cc1 ZINC000367567323 260062646 /nfs/dbraw/zinc/06/26/46/260062646.db2.gz VPVKOINFVYBAPO-UHFFFAOYSA-N 0 3 354.428 1.917 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367950893 260114334 /nfs/dbraw/zinc/11/43/34/260114334.db2.gz OMICLKDVUNJXDJ-QWRGUYRKSA-N 0 3 363.399 1.193 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2C1 ZINC000367979923 260118377 /nfs/dbraw/zinc/11/83/77/260118377.db2.gz ZPAANWXJKFGIRN-ZIAGYGMSSA-N 0 3 365.434 1.980 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1OC ZINC000368195986 260148738 /nfs/dbraw/zinc/14/87/38/260148738.db2.gz YNUADILTQDMDGF-QWRGUYRKSA-N 0 3 371.365 1.058 20 5 FDBDHN O=C(NC1CC1)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373676519 261030033 /nfs/dbraw/zinc/03/00/33/261030033.db2.gz WNWVMNOZUCPAAZ-LSDHHAIUSA-N 0 3 360.414 1.762 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000373775394 261039434 /nfs/dbraw/zinc/03/94/34/261039434.db2.gz CINPEEYSSLBBRH-INIZCTEOSA-N 0 3 362.430 1.518 20 5 FDBDHN CCCn1nccc1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000374316150 261108825 /nfs/dbraw/zinc/10/88/25/261108825.db2.gz NXMANPPYHOULDQ-INIZCTEOSA-N 0 3 362.434 1.638 20 5 FDBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000374952857 261234725 /nfs/dbraw/zinc/23/47/25/261234725.db2.gz XDHOUOULZSNMPC-UHFFFAOYSA-N 0 3 373.413 1.559 20 5 FDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000375240478 261296071 /nfs/dbraw/zinc/29/60/71/261296071.db2.gz XJBTXNNEZLDQKI-UHFFFAOYSA-N 0 3 370.413 1.956 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000375378869 261326234 /nfs/dbraw/zinc/32/62/34/261326234.db2.gz KEPOBOZLBOCLJT-NFAWXSAZSA-N 0 3 362.434 1.763 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378370818 262013948 /nfs/dbraw/zinc/01/39/48/262013948.db2.gz NRSBTHDXJOTNEL-ZDUSSCGKSA-N 0 3 364.421 1.974 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271127456 674312720 /nfs/dbraw/zinc/31/27/20/674312720.db2.gz MERWOEMHUZFIJF-ZIAGYGMSSA-N 0 3 368.415 1.929 20 5 FDBDHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000271127380 674312814 /nfs/dbraw/zinc/31/28/14/674312814.db2.gz MCYZLVFEPORRFC-JSGCOSHPSA-N 0 3 369.443 1.730 20 5 FDBDHN CN(C)CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000008147748 518457693 /nfs/dbraw/zinc/45/76/93/518457693.db2.gz SSOAMFCPAANHTM-UHFFFAOYSA-N 0 3 356.448 1.743 20 5 FDBDHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000026711426 519133635 /nfs/dbraw/zinc/13/36/35/519133635.db2.gz LUVFYMRDRUWHKJ-UKRRQHHQSA-N 0 3 352.387 1.610 20 5 FDBDHN CCN1CCN(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000032072557 519479648 /nfs/dbraw/zinc/47/96/48/519479648.db2.gz SVARXHPRPGLHGO-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000041240420 519649148 /nfs/dbraw/zinc/64/91/48/519649148.db2.gz FYHZFCPKOCVQOC-UHFFFAOYSA-N 0 3 362.386 1.285 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000041321919 519651929 /nfs/dbraw/zinc/65/19/29/519651929.db2.gz HQDPGJWCAQIPMJ-ZDUSSCGKSA-N 0 3 350.419 1.934 20 5 FDBDHN COCCCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000056307641 521833317 /nfs/dbraw/zinc/83/33/17/521833317.db2.gz SLUWCDSUYGFJAD-UHFFFAOYSA-N 0 3 365.430 1.838 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000045083273 522034773 /nfs/dbraw/zinc/03/47/73/522034773.db2.gz LIMXSULTARICEC-UHFFFAOYSA-N 0 3 374.441 1.802 20 5 FDBDHN O=C([C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000046054862 522214962 /nfs/dbraw/zinc/21/49/62/522214962.db2.gz WJIAHUUTVKOYPD-HNNXBMFYSA-N 0 3 363.414 1.544 20 5 FDBDHN CNS(=O)(=O)c1ccc(NCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000060842304 522418164 /nfs/dbraw/zinc/41/81/64/522418164.db2.gz SXGSLSAKGSOTQZ-GFCCVEGCSA-N 0 3 356.448 1.789 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818173 522614682 /nfs/dbraw/zinc/61/46/82/522614682.db2.gz XUSFRZQYXISZNU-QGZVFWFLSA-N 0 3 364.446 1.890 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051535927 523035957 /nfs/dbraw/zinc/03/59/57/523035957.db2.gz LRBMIKRMAOLBEE-UHFFFAOYSA-N 0 3 363.418 1.517 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000052537137 523196601 /nfs/dbraw/zinc/19/66/01/523196601.db2.gz QCDOHUOAVKHGSW-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000067305954 523384405 /nfs/dbraw/zinc/38/44/05/523384405.db2.gz WRNSELIUMPKHNH-MRXNPFEDSA-N 0 3 370.413 1.876 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000079502446 523759409 /nfs/dbraw/zinc/75/94/09/523759409.db2.gz KFIGWRGEAAIKSC-OALUTQOASA-N 0 3 374.441 1.876 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000083026655 524232603 /nfs/dbraw/zinc/23/26/03/524232603.db2.gz UOXYFCPMKXMTMU-OKILXGFUSA-N 0 3 367.450 1.495 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121484614 524273275 /nfs/dbraw/zinc/27/32/75/524273275.db2.gz NVTMOOFTKQZPCU-UHFFFAOYSA-N 0 3 350.419 1.998 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084133621 524286280 /nfs/dbraw/zinc/28/62/80/524286280.db2.gz RHENCGKAVGKAIR-AEFFLSMTSA-N 0 3 360.414 1.486 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111837610 524352753 /nfs/dbraw/zinc/35/27/53/524352753.db2.gz MWEGOWDIOUIHCU-INIZCTEOSA-N 0 3 350.419 1.547 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000112870963 524577128 /nfs/dbraw/zinc/57/71/28/524577128.db2.gz VFGGJMFIMQYDQE-HZPDHXFCSA-N 0 3 374.441 1.544 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000122844428 524629162 /nfs/dbraw/zinc/62/91/62/524629162.db2.gz CYTNATWQOXEGQK-TZMCWYRMSA-N 0 3 358.402 1.730 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000151619183 524632164 /nfs/dbraw/zinc/63/21/64/524632164.db2.gz DUCHOULZDJHBEV-LLVKDONJSA-N 0 3 364.431 1.047 20 5 FDBDHN Cc1c(Br)cc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000151878916 524712930 /nfs/dbraw/zinc/71/29/30/524712930.db2.gz SVYYTDZVOZDKRH-CQSZACIVSA-N 0 3 374.235 1.708 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000175076115 524863073 /nfs/dbraw/zinc/86/30/73/524863073.db2.gz BAIYKMMPIIJJNL-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000152429473 524882410 /nfs/dbraw/zinc/88/24/10/524882410.db2.gz FEBYSCZJCWLJIR-HNNXBMFYSA-N 0 3 364.377 1.113 20 5 FDBDHN COc1ccc(CN2CCC(CNC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)cc1 ZINC000124076708 524895182 /nfs/dbraw/zinc/89/51/82/524895182.db2.gz HRBUTWWMBFBJRB-UHFFFAOYSA-N 0 3 373.413 1.969 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000152549817 524923239 /nfs/dbraw/zinc/92/32/39/524923239.db2.gz AOXXBXBYXMACJP-UHFFFAOYSA-N 0 3 356.448 1.377 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000152714619 524978538 /nfs/dbraw/zinc/97/85/38/524978538.db2.gz HEPNUMAJOOXUET-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000161830328 525173743 /nfs/dbraw/zinc/17/37/43/525173743.db2.gz GDWCCKHQODKMNC-AWEZNQCLSA-N 0 3 355.460 1.789 20 5 FDBDHN CN(C)CCN(Cc1cccs1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161908354 525187686 /nfs/dbraw/zinc/18/76/86/525187686.db2.gz QTXUKLJRPAZDLT-UHFFFAOYSA-N 0 3 366.447 1.626 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117253784 525292139 /nfs/dbraw/zinc/29/21/39/525292139.db2.gz UXDMVHRMNOEJMD-UHFFFAOYSA-N 0 3 370.837 1.778 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103113231 525325389 /nfs/dbraw/zinc/32/53/89/525325389.db2.gz ZMAVQDGQAJVDLW-UHFFFAOYSA-N 0 3 359.430 1.999 20 5 FDBDHN Cc1c(C(=O)N(C)CCN2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000103120664 525325690 /nfs/dbraw/zinc/32/56/90/525325690.db2.gz DWQOBLGUDGARKP-UHFFFAOYSA-N 0 3 358.402 1.652 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118096491 525440047 /nfs/dbraw/zinc/44/00/47/525440047.db2.gz TUMGQXLFOYADOH-LLVKDONJSA-N 0 3 354.794 1.787 20 5 FDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000154176297 525449864 /nfs/dbraw/zinc/44/98/64/525449864.db2.gz PIXKYLRFUFQXTB-MRVPVSSYSA-N 0 3 355.811 1.733 20 5 FDBDHN CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154306765 525488152 /nfs/dbraw/zinc/48/81/52/525488152.db2.gz YWSJDDMQGIXOCQ-KRWDZBQOSA-N 0 3 374.441 1.754 20 5 FDBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154306658 525488698 /nfs/dbraw/zinc/48/86/98/525488698.db2.gz YWSJDDMQGIXOCQ-QGZVFWFLSA-N 0 3 374.441 1.754 20 5 FDBDHN CN1CCC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000130012886 525715016 /nfs/dbraw/zinc/71/50/16/525715016.db2.gz QZBKCCRWFFOEFV-BXUZGUMPSA-N 0 3 364.431 1.447 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000171040359 525812191 /nfs/dbraw/zinc/81/21/91/525812191.db2.gz ORXUPFHDXJBNEV-UHFFFAOYSA-N 0 3 361.402 1.507 20 5 FDBDHN CCO[C@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181612304 525880417 /nfs/dbraw/zinc/88/04/17/525880417.db2.gz CSCOAGPAJAUSMZ-GJZGRUSLSA-N 0 3 371.459 1.666 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000108304495 525949640 /nfs/dbraw/zinc/94/96/40/525949640.db2.gz FDNIQQYICNTAMX-HNNXBMFYSA-N 0 3 355.398 1.995 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000156117356 526058931 /nfs/dbraw/zinc/05/89/31/526058931.db2.gz PSQYKKZFUHARBS-HOCLYGCPSA-N 0 3 353.444 1.841 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000171970785 526196690 /nfs/dbraw/zinc/19/66/90/526196690.db2.gz GHQTYJWNFKKCQI-WBVHZDCISA-N 0 3 374.441 1.544 20 5 FDBDHN CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000109984194 526211568 /nfs/dbraw/zinc/21/15/68/526211568.db2.gz GCCWGOSZURCZAQ-LBPRGKRZSA-N 0 3 350.375 1.003 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000183117477 535922704 /nfs/dbraw/zinc/92/27/04/535922704.db2.gz YGDDEDCMTDWPAV-UHFFFAOYSA-N 0 3 362.430 1.481 20 5 FDBDHN COC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000183156001 535930561 /nfs/dbraw/zinc/93/05/61/535930561.db2.gz ZMRRMTDHGUEZHV-UHFFFAOYSA-N 0 3 357.432 1.420 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000183410696 535975873 /nfs/dbraw/zinc/97/58/73/535975873.db2.gz ATVPAYJDMGVNPE-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000183788355 536048945 /nfs/dbraw/zinc/04/89/45/536048945.db2.gz UEWBZWPWSRIMDH-OAHLLOKOSA-N 0 3 373.413 1.133 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000183881195 536061323 /nfs/dbraw/zinc/06/13/23/536061323.db2.gz ACBWRBKBWXIPLO-GXTWGEPZSA-N 0 3 360.414 1.374 20 5 FDBDHN CCc1nn(C)c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164220 536227678 /nfs/dbraw/zinc/22/76/78/536227678.db2.gz JOTXNODYAMQCLM-LJQANCHMSA-N 0 3 373.457 1.964 20 5 FDBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186312293 536231811 /nfs/dbraw/zinc/23/18/11/536231811.db2.gz FDYAYTKJIHRJRM-INIZCTEOSA-N 0 3 357.414 1.914 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267007601 536948496 /nfs/dbraw/zinc/94/84/96/536948496.db2.gz KSROVHQIXXYNOW-UHFFFAOYSA-N 0 3 352.410 1.624 20 5 FDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189943132 537118143 /nfs/dbraw/zinc/11/81/43/537118143.db2.gz HDLHUQXUAZTSAT-AWEZNQCLSA-N 0 3 364.446 1.700 20 5 FDBDHN CCN1CCN(CCCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190167537 537148764 /nfs/dbraw/zinc/14/87/64/537148764.db2.gz ABYANFSWNSDKKI-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000248972714 537223260 /nfs/dbraw/zinc/22/32/60/537223260.db2.gz DKYMBYMKBAHQEP-KCXAZCMYSA-N 0 3 368.340 1.550 20 5 FDBDHN CCc1[n-]nc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192667529 537229704 /nfs/dbraw/zinc/22/97/04/537229704.db2.gz UWWXYQKKXUWEGP-UHFFFAOYSA-N 0 3 365.434 1.597 20 5 FDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262776049 537254572 /nfs/dbraw/zinc/25/45/72/537254572.db2.gz NINKOZMAEGMRRD-LDYMZIIASA-N 0 3 367.349 1.890 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193879837 537256606 /nfs/dbraw/zinc/25/66/06/537256606.db2.gz MDWXMSOODXIQJD-LBPRGKRZSA-N 0 3 374.438 1.038 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1N(C)C ZINC000272360353 537269498 /nfs/dbraw/zinc/26/94/98/537269498.db2.gz SELKZMZSMYQGGN-AAEUAGOBSA-N 0 3 353.400 1.441 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276173916 537316969 /nfs/dbraw/zinc/31/69/69/537316969.db2.gz SQDDRVLLBYFRRG-ZDUSSCGKSA-N 0 3 360.414 1.917 20 5 FDBDHN COCCOCCOCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276288648 537396534 /nfs/dbraw/zinc/39/65/34/537396534.db2.gz SZGCUBYGOVSGEQ-UHFFFAOYSA-N 0 3 369.418 1.535 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC1 ZINC000273171018 537404104 /nfs/dbraw/zinc/40/41/04/537404104.db2.gz OWWLHPLKVADJNL-UHFFFAOYSA-N 0 3 371.415 1.146 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1N(C)C ZINC000271158628 537406788 /nfs/dbraw/zinc/40/67/88/537406788.db2.gz RJEYGDYBLYUXQP-KBPBESRZSA-N 0 3 357.407 1.617 20 5 FDBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCS(=O)(=O)CC1 ZINC000280730363 537447325 /nfs/dbraw/zinc/44/73/25/537447325.db2.gz YVVJFEXMICNFAC-SNVBAGLBSA-N 0 3 352.416 1.774 20 5 FDBDHN CN(CC(=O)NCCCNCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000237057771 537609370 /nfs/dbraw/zinc/60/93/70/537609370.db2.gz QNHNZNYUXXZEOQ-UHFFFAOYSA-N 0 3 357.414 1.722 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1F ZINC000291853503 537684430 /nfs/dbraw/zinc/68/44/30/537684430.db2.gz IEHUXNRRUJQSFI-HNNXBMFYSA-N 0 3 357.407 1.759 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292050798 537702033 /nfs/dbraw/zinc/70/20/33/537702033.db2.gz NMYCTXDMDOVDCV-CQSZACIVSA-N 0 3 359.835 1.965 20 5 FDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285415372 537706668 /nfs/dbraw/zinc/70/66/68/537706668.db2.gz BPHZFPXVMSOXSW-HYVNUMGLSA-N 0 3 365.430 1.130 20 5 FDBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1OCCN(C)C ZINC000416334904 537809335 /nfs/dbraw/zinc/80/93/35/537809335.db2.gz SJQWSOAEEGWSCK-UHFFFAOYSA-N 0 3 363.374 1.530 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000366933682 537894189 /nfs/dbraw/zinc/89/41/89/537894189.db2.gz LXUAXZFTWAGFJT-FABXCBLPSA-N 0 3 360.414 1.877 20 5 FDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC(=O)N[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000366933685 537894927 /nfs/dbraw/zinc/89/49/27/537894927.db2.gz LXUAXZFTWAGFJT-YLVFBTJISA-N 0 3 360.414 1.877 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372246641 537906035 /nfs/dbraw/zinc/90/60/35/537906035.db2.gz GEFRWXRHIPMQRW-IVMMDQJWSA-N 0 3 362.434 1.621 20 5 FDBDHN CN1C(=O)C[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccc(F)cc1 ZINC000372805543 538034221 /nfs/dbraw/zinc/03/42/21/538034221.db2.gz OFXUCGNOUBAUPR-YJBOKZPZSA-N 0 3 374.372 1.457 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415450147 538053056 /nfs/dbraw/zinc/05/30/56/538053056.db2.gz MPDYEDSADUINIK-LLVKDONJSA-N 0 3 371.191 1.149 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)COCC(F)(F)F)C2)nc1 ZINC000432777653 538176677 /nfs/dbraw/zinc/17/66/77/538176677.db2.gz BUICACWIMZFLDY-JQWIXIFHSA-N 0 3 364.324 1.416 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424296697 538273681 /nfs/dbraw/zinc/27/36/81/538273681.db2.gz SEYMXEPHGKAFIS-KWCYVHTRSA-N 0 3 358.402 1.082 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000420976728 538372854 /nfs/dbraw/zinc/37/28/54/538372854.db2.gz TWBSBDTXYBOFTA-ZDUSSCGKSA-N 0 3 357.432 1.232 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CNCCC1(F)F ZINC000449668311 538426421 /nfs/dbraw/zinc/42/64/21/538426421.db2.gz SOGMGZJGQUCLBT-CYBMUJFWSA-N 0 3 357.313 1.022 20 5 FDBDHN CN(C)CCOc1ccc(CCNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000501130783 538628796 /nfs/dbraw/zinc/62/87/96/538628796.db2.gz AKRBAZDDCUQZPV-UHFFFAOYSA-N 0 3 361.402 1.241 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000496273975 538697286 /nfs/dbraw/zinc/69/72/86/538697286.db2.gz UYFQOFMLUNUMDB-ZDUSSCGKSA-N 0 3 354.455 1.627 20 5 FDBDHN O=C1C[C@]2(CN1)CCCN(CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000464793471 538706233 /nfs/dbraw/zinc/70/62/33/538706233.db2.gz KFEXTFNDJZFKAU-SFHVURJKSA-N 0 3 374.397 1.495 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000560679105 545578937 /nfs/dbraw/zinc/57/89/37/545578937.db2.gz WYINEOUQHTXIJW-INIZCTEOSA-N 0 3 359.386 1.387 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473280268 538765959 /nfs/dbraw/zinc/76/59/59/538765959.db2.gz HWOBAUCVABRDJM-KRWDZBQOSA-N 0 3 362.386 1.281 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561170009 545722197 /nfs/dbraw/zinc/72/21/97/545722197.db2.gz RMEUBLDQKKTNMT-OAHLLOKOSA-N 0 3 374.441 1.470 20 5 FDBDHN Cc1c(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000561273727 545781656 /nfs/dbraw/zinc/78/16/56/545781656.db2.gz MUBQSVGLEVBYDL-ZDUSSCGKSA-N 0 3 362.430 1.368 20 5 FDBDHN CC(C)CN1CCO[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000561750055 545942542 /nfs/dbraw/zinc/94/25/42/545942542.db2.gz OFZXBWWLOFOCDO-JKSUJKDBSA-N 0 3 367.446 1.281 20 5 FDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000561767934 545948095 /nfs/dbraw/zinc/94/80/95/545948095.db2.gz DUKJPXPYURTOGJ-VIFPVBQESA-N 0 3 350.404 1.544 20 5 FDBDHN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](N)c1ccccc1 ZINC000563057333 546375348 /nfs/dbraw/zinc/37/53/48/546375348.db2.gz NTXLPNUOAJMTTP-KSSFIOAISA-N 0 3 369.425 1.975 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)Cc2cccc(F)c2)c1 ZINC000563137216 546419965 /nfs/dbraw/zinc/41/99/65/546419965.db2.gz BNFAHAVXMGTGNK-SJORKVTESA-N 0 3 364.373 1.667 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000563856619 546710534 /nfs/dbraw/zinc/71/05/34/546710534.db2.gz WGDRHJKRINVVCI-ZFWWWQNUSA-N 0 3 350.350 1.795 20 5 FDBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564854198 547068336 /nfs/dbraw/zinc/06/83/36/547068336.db2.gz JZOVXNQCDXGESR-HZSPNIEDSA-N 0 3 372.443 1.280 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 ZINC000565887548 547520699 /nfs/dbraw/zinc/52/06/99/547520699.db2.gz UVQCIAWEOGTJBH-ZIAGYGMSSA-N 0 3 371.459 1.067 20 5 FDBDHN CC(C)CC[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567680796 548209551 /nfs/dbraw/zinc/20/95/51/548209551.db2.gz FQRBWQSTKXUXTG-AWEZNQCLSA-N 0 3 359.448 1.260 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000567688359 548213297 /nfs/dbraw/zinc/21/32/97/548213297.db2.gz ONHFZUZKLNJVHM-GFCCVEGCSA-N 0 3 374.319 1.840 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000567710730 548223975 /nfs/dbraw/zinc/22/39/75/548223975.db2.gz QQGXBSLCQLRLGD-XJKSGUPXSA-N 0 3 354.428 1.916 20 5 FDBDHN CN(C)C(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000569048401 548778171 /nfs/dbraw/zinc/77/81/71/548778171.db2.gz RCQBFNKZMXJPTJ-INIZCTEOSA-N 0 3 373.409 1.826 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000570777649 549405599 /nfs/dbraw/zinc/40/55/99/549405599.db2.gz IRIFBXYMDCWSLT-HNNXBMFYSA-N 0 3 366.418 1.120 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CCN2C1=O ZINC000573220642 550090505 /nfs/dbraw/zinc/09/05/05/550090505.db2.gz ITOJKKJUGDIMOF-CHWSQXEVSA-N 0 3 359.411 1.467 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000573816088 550216415 /nfs/dbraw/zinc/21/64/15/550216415.db2.gz ZXDHVCWSAREEJQ-HNAYVOBHSA-N 0 3 361.442 1.736 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935562 550492713 /nfs/dbraw/zinc/49/27/13/550492713.db2.gz YUSLBEOZHONXST-GDBMZVCRSA-N 0 3 356.382 1.599 20 5 FDBDHN C[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579541926 550883636 /nfs/dbraw/zinc/88/36/36/550883636.db2.gz GVGSSLKKTUEBRA-HNNXBMFYSA-N 0 3 374.441 1.465 20 5 FDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000581067065 551048523 /nfs/dbraw/zinc/04/85/23/551048523.db2.gz UCRYPYBJXAOSPL-OFQRWUPVSA-N 0 3 365.430 1.714 20 5 FDBDHN Cc1ccc(NCCCNC(=O)c2ccn(CCN(C)C)n2)c([N+](=O)[O-])c1 ZINC000581438128 551088679 /nfs/dbraw/zinc/08/86/79/551088679.db2.gz GOUDKGLZJVMKPJ-UHFFFAOYSA-N 0 3 374.445 1.893 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000583380566 551342856 /nfs/dbraw/zinc/34/28/56/551342856.db2.gz PBPWULZCEWIYGZ-LBPRGKRZSA-N 0 3 364.793 1.776 20 5 FDBDHN CSc1cccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000583509048 551362947 /nfs/dbraw/zinc/36/29/47/551362947.db2.gz BOZLNZAMMWALHK-INIZCTEOSA-N 0 3 351.428 1.503 20 5 FDBDHN CNc1nccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000584359666 551486132 /nfs/dbraw/zinc/48/61/32/551486132.db2.gz KFFLOQWOHZJLSL-STQMWFEESA-N 0 3 365.434 1.651 20 5 FDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000585708538 551585126 /nfs/dbraw/zinc/58/51/26/551585126.db2.gz UHDDMJZIMQKCIJ-TZMCWYRMSA-N 0 3 364.427 1.904 20 5 FDBDHN NC(=O)c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000585718673 551587407 /nfs/dbraw/zinc/58/74/07/551587407.db2.gz SOJOHWSMNMKLHG-INIZCTEOSA-N 0 3 362.430 1.380 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589580420 551736575 /nfs/dbraw/zinc/73/65/75/551736575.db2.gz LDPQVEUFRJQPIF-CQSZACIVSA-N 0 3 355.398 1.799 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590281625 551769808 /nfs/dbraw/zinc/76/98/08/551769808.db2.gz PTMBOMGJEKLKFY-NOZJJQNGSA-N 0 3 352.778 1.349 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590370248 551776740 /nfs/dbraw/zinc/77/67/40/551776740.db2.gz WQJOFFADCNLNNZ-LLVKDONJSA-N 0 3 350.400 1.371 20 5 FDBDHN COc1ccc(CSCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447057 551785814 /nfs/dbraw/zinc/78/58/14/551785814.db2.gz XZXLZBONISSGSZ-ZFWWWQNUSA-N 0 3 365.455 1.999 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590538502 551789831 /nfs/dbraw/zinc/78/98/31/551789831.db2.gz UHHPQOAGBHMZMO-AWEZNQCLSA-N 0 3 358.402 1.732 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)cc1OC ZINC000591678131 551896240 /nfs/dbraw/zinc/89/62/40/551896240.db2.gz JZDSUZMPYUNTTH-UHFFFAOYSA-N 0 3 367.402 1.453 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(N3CCCCCC3)nc2)c1 ZINC000591726668 551904009 /nfs/dbraw/zinc/90/40/09/551904009.db2.gz YAFHYEWMZMTZMC-KRWDZBQOSA-N 0 3 374.445 1.717 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000591986288 551923723 /nfs/dbraw/zinc/92/37/23/551923723.db2.gz ULLZXNXNMCSUGI-JTQLQIEISA-N 0 3 371.235 1.914 20 5 FDBDHN CN(CCC[C@@H]1CCOC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592125162 551945984 /nfs/dbraw/zinc/94/59/84/551945984.db2.gz SAJQFZHWEINSMP-CQSZACIVSA-N 0 3 371.459 1.622 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592879275 552038148 /nfs/dbraw/zinc/03/81/48/552038148.db2.gz KAURUAKGXJXUFB-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)CCO2 ZINC000592899471 552040704 /nfs/dbraw/zinc/04/07/04/552040704.db2.gz STQSJSJWGAGGEK-UHFFFAOYSA-N 0 3 363.370 1.260 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CCO2 ZINC000592900131 552040975 /nfs/dbraw/zinc/04/09/75/552040975.db2.gz YGCGJRBJGUQSDH-UHFFFAOYSA-N 0 3 363.370 1.260 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000593024674 552053838 /nfs/dbraw/zinc/05/38/38/552053838.db2.gz JUJSFODNYXPXBB-CYBMUJFWSA-N 0 3 365.430 1.658 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593080444 552059238 /nfs/dbraw/zinc/05/92/38/552059238.db2.gz KYZVWZODXOWNQB-INIZCTEOSA-N 0 3 361.402 1.338 20 5 FDBDHN NC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C(F)(F)F ZINC000594451388 552313191 /nfs/dbraw/zinc/31/31/91/552313191.db2.gz URKGBRJHJMFVMA-NSHDSACASA-N 0 3 362.308 1.051 20 5 FDBDHN NC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000594450674 552313264 /nfs/dbraw/zinc/31/32/64/552313264.db2.gz NKVZIFASJPZEHL-SECBINFHSA-N 0 3 370.125 1.906 20 5 FDBDHN C[C@@H]1CC[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594505648 552326628 /nfs/dbraw/zinc/32/66/28/552326628.db2.gz YIFGUMWQKIQWDN-VXGBXAGGSA-N 0 3 359.473 1.747 20 5 FDBDHN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCCCN1CCCC1 ZINC000594744950 552368892 /nfs/dbraw/zinc/36/88/92/552368892.db2.gz PFWDBQAWIHVWHL-UHFFFAOYSA-N 0 3 364.427 1.907 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000594775880 552380353 /nfs/dbraw/zinc/38/03/53/552380353.db2.gz MQONMLLNMRGVOI-GXTWGEPZSA-N 0 3 366.443 1.627 20 5 FDBDHN COc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595260578 552507063 /nfs/dbraw/zinc/50/70/63/552507063.db2.gz DMDIWVBZOAJIGI-RKDXNWHRSA-N 0 3 363.292 1.716 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595397835 552549043 /nfs/dbraw/zinc/54/90/43/552549043.db2.gz SQRWYSHKABCUFJ-HNNXBMFYSA-N 0 3 350.394 1.648 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000595739386 552608987 /nfs/dbraw/zinc/60/89/87/552608987.db2.gz TXSHQKCDGJDTDV-ZJIFWQFVSA-N 0 3 366.418 1.206 20 5 FDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595850020 552623075 /nfs/dbraw/zinc/62/30/75/552623075.db2.gz KCUWTZRVNQJVRT-LSDHHAIUSA-N 0 3 365.430 1.571 20 5 FDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595850754 552623087 /nfs/dbraw/zinc/62/30/87/552623087.db2.gz ODCQPOKPBKSJPT-GOEBONIOSA-N 0 3 365.430 1.571 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595985222 552641196 /nfs/dbraw/zinc/64/11/96/552641196.db2.gz FHMHYVDXIABEOJ-GFCCVEGCSA-N 0 3 373.417 1.075 20 5 FDBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC2(CNC2)C1 ZINC000596098307 552654913 /nfs/dbraw/zinc/65/49/13/552654913.db2.gz KTBGHXPFJLWXSP-UHFFFAOYSA-N 0 3 360.395 1.533 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596108409 552655972 /nfs/dbraw/zinc/65/59/72/552655972.db2.gz BYFQRZKXDWTEEW-HNNXBMFYSA-N 0 3 363.418 1.048 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596167149 552661399 /nfs/dbraw/zinc/66/13/99/552661399.db2.gz FAIIAMMUOWFIMY-ZDUSSCGKSA-N 0 3 365.434 1.317 20 5 FDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1N1CCCC1 ZINC000596195590 552663751 /nfs/dbraw/zinc/66/37/51/552663751.db2.gz NVEABIJCVIDJFO-HUUCEWRRSA-N 0 3 350.444 1.710 20 5 FDBDHN COc1cc(N2CN(CCN(C)C)C(=O)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596288505 552671120 /nfs/dbraw/zinc/67/11/20/552671120.db2.gz JTLDLFPBUAWAJH-SNVBAGLBSA-N 0 3 356.810 1.813 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309289 552673162 /nfs/dbraw/zinc/67/31/62/552673162.db2.gz XOZHOJJJKCMXNE-NSHDSACASA-N 0 3 356.448 1.788 20 5 FDBDHN CCOc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597695071 552823052 /nfs/dbraw/zinc/82/30/52/552823052.db2.gz POVPDHOJKIZWIX-HOCLYGCPSA-N 0 3 363.414 1.929 20 5 FDBDHN CCCN1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598341445 552887442 /nfs/dbraw/zinc/88/74/42/552887442.db2.gz BNLXAYRJGBZFBI-STQMWFEESA-N 0 3 364.402 1.393 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598535977 552906825 /nfs/dbraw/zinc/90/68/25/552906825.db2.gz MZVNAEPGMHDODT-GFCCVEGCSA-N 0 3 365.434 1.596 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598535977 552906827 /nfs/dbraw/zinc/90/68/27/552906827.db2.gz MZVNAEPGMHDODT-GFCCVEGCSA-N 0 3 365.434 1.596 20 5 FDBDHN CC(C)(C)N1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598593538 552912483 /nfs/dbraw/zinc/91/24/83/552912483.db2.gz UTMYOGQVQFHDFO-UHFFFAOYSA-N 0 3 364.450 1.532 20 5 FDBDHN CC[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC1 ZINC000598590856 552912633 /nfs/dbraw/zinc/91/26/33/552912633.db2.gz RIPDEERRDSHOHE-CYBMUJFWSA-N 0 3 350.423 1.508 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599009814 552957765 /nfs/dbraw/zinc/95/77/65/552957765.db2.gz LXMOTXADAVQEJG-XJKSGUPXSA-N 0 3 350.371 1.804 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000599024447 552959123 /nfs/dbraw/zinc/95/91/23/552959123.db2.gz QSOCHSDPVQWVIB-IUODEOHRSA-N 0 3 357.432 1.420 20 5 FDBDHN COc1cc(C(=O)N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600006697 553198205 /nfs/dbraw/zinc/19/82/05/553198205.db2.gz CISLTGHXRYBFHQ-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN COC(=O)[C@](C)(NC(=O)CC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600540196 553282498 /nfs/dbraw/zinc/28/24/98/553282498.db2.gz FCEODCRSTDASBL-GOSISDBHSA-N 0 3 363.414 1.831 20 5 FDBDHN CN(C)CCn1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000600940034 553328668 /nfs/dbraw/zinc/32/86/68/553328668.db2.gz OFWOBXMHIPXHOS-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601130597 553351007 /nfs/dbraw/zinc/35/10/07/553351007.db2.gz XJCMZUVMNXLGAK-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN COC[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCN1 ZINC000602473745 553588897 /nfs/dbraw/zinc/58/88/97/553588897.db2.gz OXSNQFDUXTUKQH-GOSISDBHSA-N 0 3 362.430 1.402 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC3(C2)CCN(C)CC3)cc1[N+](=O)[O-] ZINC000603386728 553777062 /nfs/dbraw/zinc/77/70/62/553777062.db2.gz YIMNMZSRYRSSSW-UHFFFAOYSA-N 0 3 369.443 1.710 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN1CCCC1 ZINC000609843434 554428363 /nfs/dbraw/zinc/42/83/63/554428363.db2.gz FTEYVWHEUMLKBC-CYBMUJFWSA-N 0 3 352.439 1.381 20 5 FDBDHN COc1ccc(CNC(=O)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000610573748 554532192 /nfs/dbraw/zinc/53/21/92/554532192.db2.gz DRZFJXQMLINFSC-UHFFFAOYSA-N 0 3 366.418 1.513 20 5 FDBDHN COc1cc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000611516780 554640677 /nfs/dbraw/zinc/64/06/77/554640677.db2.gz YTHYEBKWFYMWFO-INIZCTEOSA-N 0 3 362.430 1.518 20 5 FDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000613078153 554879589 /nfs/dbraw/zinc/87/95/89/554879589.db2.gz GYYGUVSZHKRTBX-CALCHBBNSA-N 0 3 360.458 1.812 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000618935466 555698073 /nfs/dbraw/zinc/69/80/73/555698073.db2.gz WMJAHPZPSSWIDJ-CHWSQXEVSA-N 0 3 365.434 1.669 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000619491973 555788012 /nfs/dbraw/zinc/78/80/12/555788012.db2.gz IUPYOLMNJWCMSH-OLZOCXBDSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366033484 568262273 /nfs/dbraw/zinc/26/22/73/568262273.db2.gz SDQNLVAAFAWWNN-LBPRGKRZSA-N 0 3 355.416 1.462 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736982052 598394683 /nfs/dbraw/zinc/39/46/83/598394683.db2.gz QQEJCJHHMAIWLE-UHFFFAOYSA-N 0 3 362.394 1.083 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736982052 598394684 /nfs/dbraw/zinc/39/46/84/598394684.db2.gz QQEJCJHHMAIWLE-UHFFFAOYSA-N 0 3 362.394 1.083 20 5 FDBDHN C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000272892430 674485608 /nfs/dbraw/zinc/48/56/08/674485608.db2.gz JYBFVFKTWNKRIM-NEPJUHHUSA-N 0 3 356.448 1.775 20 5 FDBDHN CCOCCO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273091683 674504840 /nfs/dbraw/zinc/50/48/40/674504840.db2.gz CPUOGFMOYFQJEX-GJZGRUSLSA-N 0 3 354.403 1.462 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821586004 607114150 /nfs/dbraw/zinc/11/41/50/607114150.db2.gz FPPOLWNAEVBGAP-UHFFFAOYSA-N 0 3 371.405 1.077 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000277664713 674992576 /nfs/dbraw/zinc/99/25/76/674992576.db2.gz WVXGHSZARYHOCH-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420328599 680432101 /nfs/dbraw/zinc/43/21/01/680432101.db2.gz HSLGGWUUEJBPMU-BDJLRTHQSA-N 0 3 354.382 1.564 20 5 FDBDHN COc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000455102398 683396999 /nfs/dbraw/zinc/39/69/99/683396999.db2.gz NIJBLIUGQOVABX-ZDUSSCGKSA-N 0 3 352.391 1.572 20 5 FDBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000493442287 687425965 /nfs/dbraw/zinc/42/59/65/687425965.db2.gz KSHJALMPPNPCTN-HOCLYGCPSA-N 0 3 351.359 1.403 20 5 FDBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525601568 694630489 /nfs/dbraw/zinc/63/04/89/694630489.db2.gz LSGSOLXOGOSRDK-CHWSQXEVSA-N 0 3 356.448 1.636 20 5 FDBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000532985448 694898506 /nfs/dbraw/zinc/89/85/06/694898506.db2.gz SZVFDRALMUZTTM-ZDUSSCGKSA-N 0 3 356.448 1.636 20 5 FDBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000532985448 694898508 /nfs/dbraw/zinc/89/85/08/694898508.db2.gz SZVFDRALMUZTTM-ZDUSSCGKSA-N 0 3 356.448 1.636 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1cccnc1 ZINC000261810130 774457262 /nfs/dbraw/zinc/45/72/62/774457262.db2.gz RLWJVLMEVJMTQQ-KRWDZBQOSA-N 0 3 355.398 1.883 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000933332433 777280660 /nfs/dbraw/zinc/28/06/60/777280660.db2.gz YWPCJDKKXZPDAD-GJZGRUSLSA-N 0 3 374.441 1.511 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2ncc(-c3cccs3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063392 777701259 /nfs/dbraw/zinc/70/12/59/777701259.db2.gz AHXWHWYNTLIPBY-WRWGMCAJSA-N 0 3 362.411 1.805 20 5 FDBDHN O=C(Nc1ccc(O)cc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472437450 785402561 /nfs/dbraw/zinc/40/25/61/785402561.db2.gz LZUMXFQBSWXWJY-UHFFFAOYSA-N 0 3 359.386 1.848 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893264452 794499568 /nfs/dbraw/zinc/49/95/68/794499568.db2.gz DVJONGUEYSCLJF-DLBZAZTESA-N 0 3 362.430 1.378 20 5 FDBDHN N[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261714370 811303052 /nfs/dbraw/zinc/30/30/52/811303052.db2.gz CBPOVKKMJRMIGD-QGZVFWFLSA-N 0 3 363.414 1.719 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000366906138 814117308 /nfs/dbraw/zinc/11/73/08/814117308.db2.gz XKHONCKAEDJGQZ-KGLIPLIRSA-N 0 3 364.402 1.978 20 5 FDBDHN COc1c(O)ccc(CN(C)CCN2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000895862527 822768427 /nfs/dbraw/zinc/76/84/27/822768427.db2.gz YCAKXNSDLRYCNP-UHFFFAOYSA-N 0 3 365.430 1.853 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000896611819 824705673 /nfs/dbraw/zinc/70/56/73/824705673.db2.gz DGRVWBYUULENCW-XYPHTWIQSA-N 0 3 362.430 1.896 20 5 FDBDHN Cc1nn(C)c(Cl)c1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431719 827813307 /nfs/dbraw/zinc/81/33/07/827813307.db2.gz SJLZQQQOXUHELO-TZMCWYRMSA-N 0 3 369.853 1.470 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452344658 830614367 /nfs/dbraw/zinc/61/43/67/830614367.db2.gz ORCDUAASHJVEPA-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521078811 834735685 /nfs/dbraw/zinc/73/56/85/834735685.db2.gz FARQLOKHQBYVKZ-MRXNPFEDSA-N 0 3 370.413 1.793 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508708027 838387459 /nfs/dbraw/zinc/38/74/59/838387459.db2.gz XVKJOXZSUXJXCF-CYBMUJFWSA-N 0 3 363.418 1.019 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000843789976 840103101 /nfs/dbraw/zinc/10/31/01/840103101.db2.gz DCUSDEIHINCDDU-UHFFFAOYSA-N 0 3 370.381 1.343 20 5 FDBDHN CCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000477386849 842557401 /nfs/dbraw/zinc/55/74/01/842557401.db2.gz ZKUBSTACXQBRBG-UHFFFAOYSA-N 0 3 364.446 1.984 20 5 FDBDHN CC(C)[C@H]1CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCN1C ZINC000485732788 852798447 /nfs/dbraw/zinc/79/84/47/852798447.db2.gz KVZVOMJJCYWEER-HZPDHXFCSA-N 0 3 360.414 1.499 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000907144845 853861364 /nfs/dbraw/zinc/86/13/64/853861364.db2.gz BYXKFXQHIJGMEZ-RYUDHWBXSA-N 0 3 358.851 1.948 20 5 FDBDHN CCc1ccc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000907563251 854367078 /nfs/dbraw/zinc/36/70/78/854367078.db2.gz CQWJATRZPZELTC-XJKSGUPXSA-N 0 3 353.444 1.729 20 5 FDBDHN CN1CCC(N(CCO)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000911937014 859163039 /nfs/dbraw/zinc/16/30/39/859163039.db2.gz HFEKQZUBEKVIRI-UHFFFAOYSA-N 0 3 362.430 1.698 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000912604996 859945991 /nfs/dbraw/zinc/94/59/91/859945991.db2.gz ZLSZAVIJNMHDQH-UHFFFAOYSA-N 0 3 358.398 1.653 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)CCO)cc1SC ZINC000912607320 859949560 /nfs/dbraw/zinc/94/95/60/859949560.db2.gz RYWZZPAKUNGTGF-UHFFFAOYSA-N 0 3 357.432 1.321 20 5 FDBDHN O=C1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000255672744 872548439 /nfs/dbraw/zinc/54/84/39/872548439.db2.gz PDNUCXWYYSJZPF-MAVJXHJTSA-N 0 3 374.441 1.131 20 5 FDBDHN CC(COC(=O)c1cn(-c2ccc(Br)cc2)nn1)[N+](=O)[O-] ZINC001122967928 876048994 /nfs/dbraw/zinc/04/89/94/876048994.db2.gz FMEXXWLFHBYLJF-QMMMGPOBSA-N 0 3 355.148 1.852 20 5 FDBDHN CN1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000245732058 884628496 /nfs/dbraw/zinc/62/84/96/884628496.db2.gz ZBVKDLPPQCBYII-MRXNPFEDSA-N 0 3 372.429 1.427 20 5 FDBDHN Cc1cnc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)nc1 ZINC001035186335 885721343 /nfs/dbraw/zinc/72/13/43/885721343.db2.gz BIIHEFGCNTWOBR-HUUCEWRRSA-N 0 3 359.430 1.265 20 5 FDBDHN CCn1ccnc1CN1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187249 885750981 /nfs/dbraw/zinc/75/09/81/885750981.db2.gz RZGRJTVAOYFGNA-HUUCEWRRSA-N 0 3 361.446 1.383 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000498944252 886053536 /nfs/dbraw/zinc/05/35/36/886053536.db2.gz ZSCVLXAWOLAEGH-RYUDHWBXSA-N 0 3 364.402 1.677 20 5 FDBDHN O=C(NCC1CN(CCOc2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662380 886993440 /nfs/dbraw/zinc/99/34/40/886993440.db2.gz DBPVRRSNTHBSCL-HUUCEWRRSA-N 0 3 353.806 1.432 20 5 FDBDHN CCCc1nc(C)c(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001000673663 898479324 /nfs/dbraw/zinc/47/93/24/898479324.db2.gz IQONXFJABUMNEP-HUUCEWRRSA-N 0 3 362.430 1.849 20 5 FDBDHN CS[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000765267084 906695766 /nfs/dbraw/zinc/69/57/66/906695766.db2.gz BZCHYFPGBNOVIV-CABCVRRESA-N 0 3 363.443 1.449 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000731683997 918423039 /nfs/dbraw/zinc/42/30/39/918423039.db2.gz MVXFTYJJRXDIAF-GOEBONIOSA-N 0 3 364.402 1.136 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734284958 923174883 /nfs/dbraw/zinc/17/48/83/923174883.db2.gz CTNDFHZWNLBEPU-CQSZACIVSA-N 0 3 359.430 1.663 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735220728 924164327 /nfs/dbraw/zinc/16/43/27/924164327.db2.gz CGZDNACYZXOJMZ-INIZCTEOSA-N 0 3 357.366 1.574 20 5 FDBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[N+](=O)[O-] ZINC000813111062 941334642 /nfs/dbraw/zinc/33/46/42/941334642.db2.gz BOJFXZFTZRZOEP-ZETCQYMHSA-N 0 3 366.189 1.675 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cc1 ZINC000813113799 941336122 /nfs/dbraw/zinc/33/61/22/941336122.db2.gz JGFIJLWBWMHHML-CYBMUJFWSA-N 0 3 370.427 1.604 20 5 FDBDHN COc1cccc([C@@H]2[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C2CC2)c1 ZINC000813115294 941336816 /nfs/dbraw/zinc/33/68/16/941336816.db2.gz ONZOYZWCPUORLV-XNJJOIOASA-N 0 3 362.382 1.956 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815704810 941946849 /nfs/dbraw/zinc/94/68/49/941946849.db2.gz QFDZZWOIZNXXED-MLGOLLRUSA-N 0 3 374.441 1.993 20 5 FDBDHN CN1CCN(c2ncccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981953 943369960 /nfs/dbraw/zinc/36/99/60/943369960.db2.gz ZRVJKMVPKTWDDW-SFHVURJKSA-N 0 3 371.441 1.565 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)c2ccccc2)cc1 ZINC000818976269 943390780 /nfs/dbraw/zinc/39/07/80/943390780.db2.gz YKZRSRXPVCWULX-INIZCTEOSA-N 0 3 365.411 1.196 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000819309070 943513001 /nfs/dbraw/zinc/51/30/01/943513001.db2.gz KDYOQZLGTHXFKK-KBPBESRZSA-N 0 3 363.336 1.481 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856490860 971187504 /nfs/dbraw/zinc/18/75/04/971187504.db2.gz SPSONFXHOFIFRF-AWEZNQCLSA-N 0 3 352.366 1.762 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823945214 946111533 /nfs/dbraw/zinc/11/15/33/946111533.db2.gz LTBFPYNMWDWBEI-UHFFFAOYSA-N 0 3 372.385 1.935 20 5 FDBDHN C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000823994631 946143683 /nfs/dbraw/zinc/14/36/83/946143683.db2.gz XCBCSPWHTNPAKO-LBPRGKRZSA-N 0 3 350.423 1.182 20 5 FDBDHN COC(=O)c1ccnc(NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000856723161 971349810 /nfs/dbraw/zinc/34/98/10/971349810.db2.gz IUQZQVYOKUHFTL-CYBMUJFWSA-N 0 3 364.402 1.832 20 5 FDBDHN CC([C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874028 950045176 /nfs/dbraw/zinc/04/51/76/950045176.db2.gz GQDURRDWBJVHCI-HFAKWTLXSA-N 0 3 359.375 1.900 20 5 FDBDHN COCCN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845875488 950047422 /nfs/dbraw/zinc/04/74/22/950047422.db2.gz MUFLTXAUVOQTLR-HWWQOWPSSA-N 0 3 368.361 1.570 20 5 FDBDHN CC([C@H](OC(=O)CCn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882889 950064277 /nfs/dbraw/zinc/06/42/77/950064277.db2.gz PZYKFLSCVSQRQN-YGRLFVJLSA-N 0 3 352.322 1.061 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@]3(CCNC3=O)C2)c1F ZINC001173181999 961954903 /nfs/dbraw/zinc/95/49/03/961954903.db2.gz REYUDGHTSZHMOA-DIFFPNOSSA-N 0 3 351.378 1.886 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CN(c3ncccn3)C2)c1F ZINC001173193018 961959993 /nfs/dbraw/zinc/95/99/93/961959993.db2.gz SJVACNBCONZIOO-LLVKDONJSA-N 0 3 361.377 1.942 20 5 FDBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000774410252 962128262 /nfs/dbraw/zinc/12/82/62/962128262.db2.gz OQTSBPOMJPEEIB-MEDUHNTESA-N 0 3 365.411 1.626 20 5 FDBDHN CCOc1nnc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001178450023 964222464 /nfs/dbraw/zinc/22/24/64/964222464.db2.gz NWLVFAHSKFKPGS-VXGBXAGGSA-N 0 3 371.463 1.368 20 5 FDBDHN CC(C)c1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458442 964244100 /nfs/dbraw/zinc/24/41/00/964244100.db2.gz HOYPJBKKCMCAND-CHWSQXEVSA-N 0 3 353.423 1.624 20 5 FDBDHN CCc1noc(CN(CC)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000957713198 1013854904 /nfs/dbraw/zinc/85/49/04/1013854904.db2.gz RFEYHJREDJVMGX-ZIAGYGMSSA-N 0 3 365.434 1.358 20 5 FDBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000855698650 970625407 /nfs/dbraw/zinc/62/54/07/970625407.db2.gz SGYDGUKATYERHY-UHFFFAOYSA-N 0 3 370.837 1.649 20 5 FDBDHN O=C1N[C@H](C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC001198299834 972965408 /nfs/dbraw/zinc/96/54/08/972965408.db2.gz IFZCBBDOJWLYBY-KGLIPLIRSA-N 0 3 365.386 1.155 20 5 FDBDHN O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCN(C2CCOCC2)CC1 ZINC000794637052 973496441 /nfs/dbraw/zinc/49/64/41/973496441.db2.gz OTSCPNDAWJJNLE-UHFFFAOYSA-N 0 3 362.386 1.257 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582491 976912925 /nfs/dbraw/zinc/91/29/25/976912925.db2.gz MSXPOBHQOWHJSH-GXTWGEPZSA-N 0 3 371.340 1.546 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868281626 977439962 /nfs/dbraw/zinc/43/99/62/977439962.db2.gz RPEBDXVCYLURSI-OAHLLOKOSA-N 0 3 350.419 1.813 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850683687 978606724 /nfs/dbraw/zinc/60/67/24/978606724.db2.gz RSBAAZLKNUTWDJ-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCN1CCCCC1 ZINC000858986202 982433152 /nfs/dbraw/zinc/43/31/52/982433152.db2.gz FVZJRHJZKTYYKF-UHFFFAOYSA-N 0 3 361.354 1.220 20 5 FDBDHN COc1ccc(CC(=O)OC[C@@]2(C)C[C@@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861343718 983694633 /nfs/dbraw/zinc/69/46/33/983694633.db2.gz JJSWYKYGVODCFC-CXAGYDPISA-N 0 3 352.387 1.798 20 5 FDBDHN Cc1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000868784047 984601932 /nfs/dbraw/zinc/60/19/32/984601932.db2.gz SNDBKSCBDAUWKR-MRXNPFEDSA-N 0 3 362.430 1.956 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869777436 985324843 /nfs/dbraw/zinc/32/48/43/985324843.db2.gz OCBVNKVPIJGDTP-NSHDSACASA-N 0 3 368.409 1.375 20 5 FDBDHN CN(C)S(=O)(=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000886736971 986520234 /nfs/dbraw/zinc/52/02/34/986520234.db2.gz OPNMDHNNZGQGPH-HNNXBMFYSA-N 0 3 353.444 1.986 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000886910586 986730578 /nfs/dbraw/zinc/73/05/78/986730578.db2.gz SIJZELNGROVVOU-HOCLYGCPSA-N 0 3 363.414 1.515 20 5 FDBDHN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000886911033 986732491 /nfs/dbraw/zinc/73/24/91/986732491.db2.gz ZPPOQNWGXQMGMK-CZUORRHYSA-N 0 3 351.403 1.589 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000365938770 988247715 /nfs/dbraw/zinc/24/77/15/988247715.db2.gz YABNWDSQJWYOSO-STQMWFEESA-N 0 3 362.434 1.763 20 5 FDBDHN C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)C1 ZINC000295184077 988626554 /nfs/dbraw/zinc/62/65/54/988626554.db2.gz JNLVHJJJGXMKDL-CHWSQXEVSA-N 0 3 373.413 1.512 20 5 FDBDHN O=C(CCN1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000364193429 989509242 /nfs/dbraw/zinc/50/92/42/989509242.db2.gz XTGKYWIYXXBDLZ-AWEZNQCLSA-N 0 3 360.414 1.914 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000874847929 990576656 /nfs/dbraw/zinc/57/66/56/990576656.db2.gz QQROIBAFFXODEN-QZTJIDSGSA-N 0 3 374.441 1.740 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000371852645 990778273 /nfs/dbraw/zinc/77/82/73/990778273.db2.gz IXYAGIZRSRAIIG-AWEZNQCLSA-N 0 3 361.446 1.277 20 5 FDBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372342107 991027936 /nfs/dbraw/zinc/02/79/36/991027936.db2.gz NVQCMIBLGMDGPE-CQSZACIVSA-N 0 3 371.397 1.502 20 5 FDBDHN COc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1C ZINC000372791847 991534149 /nfs/dbraw/zinc/53/41/49/991534149.db2.gz BQXKADKUADOYTB-OAHLLOKOSA-N 0 3 363.414 1.895 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000373172918 991975109 /nfs/dbraw/zinc/97/51/09/991975109.db2.gz LFLMUWSQQMQWCG-ZIAGYGMSSA-N 0 3 364.398 1.610 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN1CCOCC1 ZINC000412005191 992761033 /nfs/dbraw/zinc/76/10/33/992761033.db2.gz UNLNGRBQPIVEFB-UHFFFAOYSA-N 0 3 366.418 1.242 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891279 992775068 /nfs/dbraw/zinc/77/50/68/992775068.db2.gz HTPXJEHBXHGDTO-RHSMWYFYSA-N 0 3 364.446 1.018 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCN([C@H](C)CO)CC2)c1F ZINC000412285938 992900691 /nfs/dbraw/zinc/90/06/91/992900691.db2.gz UZACRVRUWPAEHX-GFCCVEGCSA-N 0 3 369.393 1.200 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000469984493 993924722 /nfs/dbraw/zinc/92/47/22/993924722.db2.gz VIHONDHWUINAML-UONOGXRCSA-N 0 3 364.450 1.522 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878779304 994220252 /nfs/dbraw/zinc/22/02/52/994220252.db2.gz YCJCWQWYGGNHAT-ZDUSSCGKSA-N 0 3 361.398 1.970 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000879993131 995527239 /nfs/dbraw/zinc/52/72/39/995527239.db2.gz NTFADSBJQKRVKZ-NSHDSACASA-N 0 3 359.785 1.503 20 5 FDBDHN C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000266312432 999145029 /nfs/dbraw/zinc/14/50/29/999145029.db2.gz DKLSIETVUYPSQC-OAHLLOKOSA-N 0 3 357.414 1.914 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927643697 1000963178 /nfs/dbraw/zinc/96/31/78/1000963178.db2.gz ZXIHKZQNIGHASD-MRXNPFEDSA-N 0 3 362.430 1.990 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000935411120 1005907507 /nfs/dbraw/zinc/90/75/07/1005907507.db2.gz VWHJQZDSFUYJJL-CZUORRHYSA-N 0 3 357.414 1.736 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935444744 1005912472 /nfs/dbraw/zinc/91/24/72/1005912472.db2.gz AWAMYYHHEFQBTK-CQSZACIVSA-N 0 3 366.437 1.809 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935445813 1005912919 /nfs/dbraw/zinc/91/29/19/1005912919.db2.gz OQPSLNIFXGWPTR-OLMNPRSZSA-N 0 3 360.458 1.841 20 5 FDBDHN CN1CCN(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000935819498 1006038032 /nfs/dbraw/zinc/03/80/32/1006038032.db2.gz YKDJVVURZFGOTG-UHFFFAOYSA-N 0 3 366.437 1.809 20 5 FDBDHN CN1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935818954 1006038275 /nfs/dbraw/zinc/03/82/75/1006038275.db2.gz MVUHCROKWBAXLT-IAGOWNOFSA-N 0 3 360.458 1.841 20 5 FDBDHN CC(C)c1cnc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)o1 ZINC000963791122 1012700465 /nfs/dbraw/zinc/70/04/65/1012700465.db2.gz NYLOUTRQIVHSNX-DPTAPRKNSA-N 0 3 362.430 1.980 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190991227 178034331 /nfs/dbraw/zinc/03/43/31/178034331.db2.gz LKMMXNMAVFDEIA-KRWDZBQOSA-N 0 3 373.413 1.199 20 5 FDBDHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281246 178205107 /nfs/dbraw/zinc/20/51/07/178205107.db2.gz RGBGTPYLWSHGPE-GOSISDBHSA-N 0 3 354.410 1.813 20 5 FDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000194729236 178221783 /nfs/dbraw/zinc/22/17/83/178221783.db2.gz QCXYUXYWVDNKGA-JTQLQIEISA-N 0 3 353.322 1.629 20 5 FDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000521363453 539516606 /nfs/dbraw/zinc/51/66/06/539516606.db2.gz PBCCGMGUKYQLBL-INIZCTEOSA-N 0 3 360.414 1.410 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)cc1 ZINC000264175504 179041019 /nfs/dbraw/zinc/04/10/19/179041019.db2.gz IZFVKMGHTURAMB-UHFFFAOYSA-N 0 3 369.443 1.518 20 5 FDBDHN C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000264464794 179114969 /nfs/dbraw/zinc/11/49/69/179114969.db2.gz HJDUBYATFWGNGQ-JTQLQIEISA-N 0 3 368.821 1.577 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000264474513 179117348 /nfs/dbraw/zinc/11/73/48/179117348.db2.gz KAZFPWVNTOJEKB-NSHDSACASA-N 0 3 368.821 1.531 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522740182 539576685 /nfs/dbraw/zinc/57/66/85/539576685.db2.gz GOAFTRFKMNCEQD-UHFFFAOYSA-N 0 3 368.865 1.935 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000524417346 539645114 /nfs/dbraw/zinc/64/51/14/539645114.db2.gz BGWSQQHEAXCOHU-AWEZNQCLSA-N 0 3 364.446 1.146 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000268802333 180162922 /nfs/dbraw/zinc/16/29/22/180162922.db2.gz QOMRRPZAULXWBY-DGCLKSJQSA-N 0 3 357.407 1.839 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000269145820 180226743 /nfs/dbraw/zinc/22/67/43/180226743.db2.gz PCYAZBNJZXBKRP-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1 ZINC000269272041 180259948 /nfs/dbraw/zinc/25/99/48/180259948.db2.gz DQZVUEXWIVBPCE-UHFFFAOYSA-N 0 3 358.420 1.283 20 5 FDBDHN COC(=O)C[C@@H]1CCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000269619924 180342331 /nfs/dbraw/zinc/34/23/31/180342331.db2.gz DQXSNTXDIWZQRY-LBPRGKRZSA-N 0 3 365.386 1.960 20 5 FDBDHN CS[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270413805 180479047 /nfs/dbraw/zinc/47/90/47/180479047.db2.gz BOCSEFRZRFFUIR-OLZOCXBDSA-N 0 3 355.464 1.302 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)CC(=O)N2C ZINC000271870638 180658103 /nfs/dbraw/zinc/65/81/03/180658103.db2.gz WFAXMACZGXGSKY-GFCCVEGCSA-N 0 3 356.382 1.626 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC000532136848 540140666 /nfs/dbraw/zinc/14/06/66/540140666.db2.gz GPEPNQRHJAYARH-UHFFFAOYSA-N 0 3 371.353 1.712 20 5 FDBDHN COc1ccc(CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000535729926 540500168 /nfs/dbraw/zinc/50/01/68/540500168.db2.gz YZZGRCUHCZFUMR-DZGCQCFKSA-N 0 3 353.444 1.650 20 5 FDBDHN Cn1cc(CNCCNc2cnccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537312613 540715176 /nfs/dbraw/zinc/71/51/76/540715176.db2.gz TVNFUGNSONSHPV-UHFFFAOYSA-N 0 3 353.386 1.987 20 5 FDBDHN COCCN1CC[C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000540629969 541083640 /nfs/dbraw/zinc/08/36/40/541083640.db2.gz VYIGPVAJVCRMCC-AWEZNQCLSA-N 0 3 351.403 1.509 20 5 FDBDHN Cc1nc([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000540861783 541102747 /nfs/dbraw/zinc/10/27/47/541102747.db2.gz SMGQHQHTGGIUJG-UKRRQHHQSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000540861783 541102750 /nfs/dbraw/zinc/10/27/50/541102750.db2.gz SMGQHQHTGGIUJG-UKRRQHHQSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1nnc([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000540861783 541102753 /nfs/dbraw/zinc/10/27/53/541102753.db2.gz SMGQHQHTGGIUJG-UKRRQHHQSA-N 0 3 361.402 1.641 20 5 FDBDHN Cc1cc(NC[C@H]2CS(=O)(=O)CCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541190726 541165697 /nfs/dbraw/zinc/16/56/97/541165697.db2.gz OEPBXHBAQYIVIP-LBPRGKRZSA-N 0 3 351.384 1.099 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000544462507 541771278 /nfs/dbraw/zinc/77/12/78/541771278.db2.gz YLQJCRDPFCVSAL-CYBMUJFWSA-N 0 3 364.402 1.102 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282377981 182001302 /nfs/dbraw/zinc/00/13/02/182001302.db2.gz GMUNNQCKEVDUMB-GFCCVEGCSA-N 0 3 366.393 1.971 20 5 FDBDHN CCN(CC)CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000283793281 182276227 /nfs/dbraw/zinc/27/62/27/182276227.db2.gz VFCYCRXUBFZIRS-UHFFFAOYSA-N 0 3 362.430 1.544 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287114582 183215511 /nfs/dbraw/zinc/21/55/11/183215511.db2.gz YQRJBEFNZLMERN-CABCVRRESA-N 0 3 354.794 1.519 20 5 FDBDHN O=C([C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287392855 183280421 /nfs/dbraw/zinc/28/04/21/183280421.db2.gz NNWBLOBQFYYLNU-GDBMZVCRSA-N 0 3 363.414 1.279 20 5 FDBDHN Cc1c(NC(=O)CCN(C)[C@@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295319507 184058987 /nfs/dbraw/zinc/05/89/87/184058987.db2.gz GQHQVOLVMHNUIC-SJORKVTESA-N 0 3 362.430 1.637 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296939920 184217497 /nfs/dbraw/zinc/21/74/97/184217497.db2.gz NENFWOBMFKHYKE-SMDDNHRTSA-N 0 3 366.393 1.779 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000297325106 184258337 /nfs/dbraw/zinc/25/83/37/184258337.db2.gz JBGHZEYVCKIUAV-SMDDNHRTSA-N 0 3 366.393 1.826 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000297985164 184369299 /nfs/dbraw/zinc/36/92/99/184369299.db2.gz WNQSJLAPZZSONT-GFCCVEGCSA-N 0 3 362.430 1.998 20 5 FDBDHN CCN1CCC(Nc2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000298205243 184410781 /nfs/dbraw/zinc/41/07/81/184410781.db2.gz ZESHOXZTBZQNNY-UHFFFAOYSA-N 0 3 364.402 1.394 20 5 FDBDHN CN1CCC[C@@H](N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1=O ZINC000547831947 542459291 /nfs/dbraw/zinc/45/92/91/542459291.db2.gz ZZQVUIMBSWSUSX-MRXNPFEDSA-N 0 3 372.429 1.604 20 5 FDBDHN CC(C)CN1CCO[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552957201 543542071 /nfs/dbraw/zinc/54/20/71/543542071.db2.gz KVFKXDLRUDADCW-SJLPKXTDSA-N 0 3 367.446 1.281 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072797850 172049601 /nfs/dbraw/zinc/04/96/01/172049601.db2.gz PNLSQNBBUZZVHI-HNNXBMFYSA-N 0 3 364.446 1.620 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000074137579 172074063 /nfs/dbraw/zinc/07/40/63/172074063.db2.gz WSWHEYWKKQFCIG-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000077616482 172130036 /nfs/dbraw/zinc/13/00/36/172130036.db2.gz PAIQEKJQGLRPRM-CQSZACIVSA-N 0 3 370.475 1.147 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131351033 173199069 /nfs/dbraw/zinc/19/90/69/173199069.db2.gz RBGHOCVHYSQGDP-KGLIPLIRSA-N 0 3 355.416 1.002 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000133103114 173254619 /nfs/dbraw/zinc/25/46/19/173254619.db2.gz NSXASSLCYDQFCH-KRWDZBQOSA-N 0 3 372.429 1.928 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134923297 173334861 /nfs/dbraw/zinc/33/48/61/173334861.db2.gz ZLXWIZGQUXQQPJ-CJNGLKHVSA-N 0 3 357.414 1.879 20 5 FDBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC000150728503 173379110 /nfs/dbraw/zinc/37/91/10/173379110.db2.gz GNIARAFOHWSISA-AWEZNQCLSA-N 0 3 350.419 1.481 20 5 FDBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159791288 173688477 /nfs/dbraw/zinc/68/84/77/173688477.db2.gz AQHDFHHMRZVOLK-AWEZNQCLSA-N 0 3 350.419 1.241 20 5 FDBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000176125976 174053241 /nfs/dbraw/zinc/05/32/41/174053241.db2.gz SDJOFOJSQJIZJO-UHFFFAOYSA-N 0 3 357.414 1.914 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174165078 258320105 /nfs/dbraw/zinc/32/01/05/258320105.db2.gz OATCYRZEHAWLGB-HNNXBMFYSA-N 0 3 363.462 1.668 20 5 FDBDHN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174186002 258320500 /nfs/dbraw/zinc/32/05/00/258320500.db2.gz OCRFROIXCVMOOO-UHFFFAOYSA-N 0 3 374.441 1.537 20 5 FDBDHN Cc1cc(=O)n(CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000177793892 258326463 /nfs/dbraw/zinc/32/64/63/258326463.db2.gz KIOFUZPWOUWHAM-HNNXBMFYSA-N 0 3 358.398 1.484 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000178726734 258333640 /nfs/dbraw/zinc/33/36/40/258333640.db2.gz MMSFPEWLKYZZCO-AWEZNQCLSA-N 0 3 371.459 1.418 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178823381 258336837 /nfs/dbraw/zinc/33/68/37/258336837.db2.gz RXKADMIFOZYDTR-LSDHHAIUSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180850461 258376117 /nfs/dbraw/zinc/37/61/17/258376117.db2.gz NBBKEACYNAWDBU-BETUJISGSA-N 0 3 350.419 1.796 20 5 FDBDHN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192919201 258392587 /nfs/dbraw/zinc/39/25/87/258392587.db2.gz LCSVGSBOESXIDR-PHIMTYICSA-N 0 3 359.835 1.739 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000557737374 544338856 /nfs/dbraw/zinc/33/88/56/544338856.db2.gz VRCDZYDIBWIVTL-HNNXBMFYSA-N 0 3 358.402 1.780 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301509188 259028761 /nfs/dbraw/zinc/02/87/61/259028761.db2.gz COHDVRCMHCBQLW-UONOGXRCSA-N 0 3 350.375 1.929 20 5 FDBDHN O=[N+]([O-])c1c(N2CCC[C@H]2CN2CCC[C@@H]2CO)nc2sccn21 ZINC000301550845 259029784 /nfs/dbraw/zinc/02/97/84/259029784.db2.gz QUUCCAIDXAOYHS-NWDGAFQWSA-N 0 3 351.432 1.730 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CN2CCCC[C@@H]32)s1 ZINC000301933861 259036048 /nfs/dbraw/zinc/03/60/48/259036048.db2.gz NRMKWIQUEWWIKV-SRVKXCTJSA-N 0 3 371.484 1.980 20 5 FDBDHN O=C(N1CCCC1)[C@@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331369656 259190044 /nfs/dbraw/zinc/19/00/44/259190044.db2.gz HTJJRWKSJHZMOJ-GOSISDBHSA-N 0 3 363.414 1.423 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000332272931 259254632 /nfs/dbraw/zinc/25/46/32/259254632.db2.gz PWXRQVOHOCDUGX-CHWSQXEVSA-N 0 3 355.416 1.509 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000332497809 259271045 /nfs/dbraw/zinc/27/10/45/259271045.db2.gz YQBJCHITNFGYJA-ZDUSSCGKSA-N 0 3 364.450 1.052 20 5 FDBDHN CN1CCC2(CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000367430646 260040317 /nfs/dbraw/zinc/04/03/17/260040317.db2.gz LFKBORMYOBMYBK-UHFFFAOYSA-N 0 3 361.398 1.873 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000368421289 260180757 /nfs/dbraw/zinc/18/07/57/260180757.db2.gz ZJKCTJXMFIKETQ-UHFFFAOYSA-N 0 3 374.441 1.924 20 5 FDBDHN COC(=O)[C@]12CCC[C@H]1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000368611007 260209400 /nfs/dbraw/zinc/20/94/00/260209400.db2.gz DVYGNXCHAKCCQH-IYOUNJFTSA-N 0 3 364.398 1.610 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000369308495 260337843 /nfs/dbraw/zinc/33/78/43/260337843.db2.gz BFQVZTXZQWYECQ-AWEZNQCLSA-N 0 3 364.421 1.834 20 5 FDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000373568565 261020887 /nfs/dbraw/zinc/02/08/87/261020887.db2.gz NYGFRUGVBRUYGQ-KRWDZBQOSA-N 0 3 362.474 1.996 20 5 FDBDHN N=C(NO)[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374172676 261088601 /nfs/dbraw/zinc/08/86/01/261088601.db2.gz IXBKHMMWGVHIGX-LLVKDONJSA-N 0 3 355.782 1.997 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000375036954 261253516 /nfs/dbraw/zinc/25/35/16/261253516.db2.gz ILVGRBYPVZFXAK-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN Cc1nc(CO[C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375395356 261330082 /nfs/dbraw/zinc/33/00/82/261330082.db2.gz RYUXYAVJFJGZIQ-GJZGRUSLSA-N 0 3 367.431 1.208 20 5 FDBDHN COc1cc(OCC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271195042 674320446 /nfs/dbraw/zinc/32/04/46/674320446.db2.gz WLOQSHHBERRQQL-UKRRQHHQSA-N 0 3 369.443 1.486 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000042986277 521805973 /nfs/dbraw/zinc/80/59/73/521805973.db2.gz BIOQEAVUMZCHOL-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000044532749 521966353 /nfs/dbraw/zinc/96/63/53/521966353.db2.gz GDXXJOSETXPIEH-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN CCN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000061173172 522442652 /nfs/dbraw/zinc/44/26/52/522442652.db2.gz JLYVHUCMZXNSNO-UHFFFAOYSA-N 0 3 362.430 1.963 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000061649905 522486734 /nfs/dbraw/zinc/48/67/34/522486734.db2.gz LVATUHCZYJUXNF-RYUDHWBXSA-N 0 3 351.428 1.910 20 5 FDBDHN COc1cc(CCNC(=O)NC2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000047885667 522615006 /nfs/dbraw/zinc/61/50/06/522615006.db2.gz FINMEYZIBVXZNQ-UHFFFAOYSA-N 0 3 366.418 1.548 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000075731109 522963634 /nfs/dbraw/zinc/96/36/34/522963634.db2.gz IIEWALWTIKZTLI-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN C[C@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@H](C)O1 ZINC000076269928 523058521 /nfs/dbraw/zinc/05/85/21/523058521.db2.gz QKQRAEFALNPAJL-RYUDHWBXSA-N 0 3 350.423 1.293 20 5 FDBDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000052101370 523117967 /nfs/dbraw/zinc/11/79/67/523117967.db2.gz VXGTUENGENUCPJ-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN(c2ccncc2)CC1 ZINC000066602014 523128788 /nfs/dbraw/zinc/12/87/88/523128788.db2.gz UKESNHFWNSVEGD-UHFFFAOYSA-N 0 3 370.365 1.723 20 5 FDBDHN CC(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000052531747 523197402 /nfs/dbraw/zinc/19/74/02/523197402.db2.gz VZUWAOVSIHKRLY-QGZVFWFLSA-N 0 3 371.441 1.990 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000080890974 523912201 /nfs/dbraw/zinc/91/22/01/523912201.db2.gz JVBJUYNOHJQPQO-UHFFFAOYSA-N 0 3 362.430 1.382 20 5 FDBDHN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000110698379 524125184 /nfs/dbraw/zinc/12/51/84/524125184.db2.gz OGAVUBTUBKHIAZ-DGCLKSJQSA-N 0 3 364.402 1.391 20 5 FDBDHN CC(=O)N(C)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000143685128 524372200 /nfs/dbraw/zinc/37/22/00/524372200.db2.gz UAVVQETYYIIGRG-MRXNPFEDSA-N 0 3 351.403 1.277 20 5 FDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000087297102 524421236 /nfs/dbraw/zinc/42/12/36/524421236.db2.gz NQOTYQKOOQHKIP-UHFFFAOYSA-N 0 3 374.441 1.294 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000122177159 524470140 /nfs/dbraw/zinc/47/01/40/524470140.db2.gz PVOIVKKWMLBTMC-UHFFFAOYSA-N 0 3 359.386 1.205 20 5 FDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112549701 524505362 /nfs/dbraw/zinc/50/53/62/524505362.db2.gz IPFFBHRFJREMDD-AAEUAGOBSA-N 0 3 358.402 1.735 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1OCCN(C)C ZINC000122953353 524651566 /nfs/dbraw/zinc/65/15/66/524651566.db2.gz VZZWMXSKNQUXFW-UHFFFAOYSA-N 0 3 361.402 1.357 20 5 FDBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174707932 524697744 /nfs/dbraw/zinc/69/77/44/524697744.db2.gz IMCTZNLZWHGOOR-GUYCJALGSA-N 0 3 371.401 1.426 20 5 FDBDHN CC1CCC(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174789385 524738907 /nfs/dbraw/zinc/73/89/07/524738907.db2.gz OYDVVBFEUQYYOQ-DQPZFDDXSA-N 0 3 351.451 1.349 20 5 FDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CCN1CCN(c2ccccc2)CC1 ZINC000174870993 524770568 /nfs/dbraw/zinc/77/05/68/524770568.db2.gz QIBLPCGFISDLCN-UHFFFAOYSA-N 0 3 358.446 1.545 20 5 FDBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114379841 524779820 /nfs/dbraw/zinc/77/98/20/524779820.db2.gz WHYKQCNIPRXSBJ-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000152670907 524966567 /nfs/dbraw/zinc/96/65/67/524966567.db2.gz YJHKGRNSBFZPRT-QGZVFWFLSA-N 0 3 374.441 1.292 20 5 FDBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000093281072 524978929 /nfs/dbraw/zinc/97/89/29/524978929.db2.gz VNEHSTBWOLHRRM-ZDUSSCGKSA-N 0 3 351.403 1.668 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000161376418 525096311 /nfs/dbraw/zinc/09/63/11/525096311.db2.gz SOSGEVZHOOHYBQ-INIZCTEOSA-N 0 3 357.414 1.691 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000116451332 525159479 /nfs/dbraw/zinc/15/94/79/525159479.db2.gz IUFXBLDUKSPRLL-LBPRGKRZSA-N 0 3 354.382 1.139 20 5 FDBDHN C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000153483954 525226728 /nfs/dbraw/zinc/22/67/28/525226728.db2.gz IEWXIYAVFLVQJG-RYUDHWBXSA-N 0 3 368.459 1.882 20 5 FDBDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000162748932 525311527 /nfs/dbraw/zinc/31/15/27/525311527.db2.gz GYEWMCUKAATWDX-KBPBESRZSA-N 0 3 364.446 1.629 20 5 FDBDHN C[C@H](NCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000164338271 525496203 /nfs/dbraw/zinc/49/62/03/525496203.db2.gz LNIGLLCPVSQGTM-HNNXBMFYSA-N 0 3 356.430 1.858 20 5 FDBDHN C[C@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393531 525700500 /nfs/dbraw/zinc/70/05/00/525700500.db2.gz BOIFFOHCWWCOJK-SWLSCSKDSA-N 0 3 369.377 1.903 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000119995473 525930059 /nfs/dbraw/zinc/93/00/59/525930059.db2.gz GYPCJJLTWADQLO-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000108303151 525950715 /nfs/dbraw/zinc/95/07/15/525950715.db2.gz UCOCWASQPLPMAE-AWEZNQCLSA-N 0 3 370.413 1.698 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000181904178 525976642 /nfs/dbraw/zinc/97/66/42/525976642.db2.gz JQDCNWOVVXQTNY-HNNXBMFYSA-N 0 3 367.471 1.786 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(CCc2ccncc2)CC1 ZINC000155816801 525982088 /nfs/dbraw/zinc/98/20/88/525982088.db2.gz COWJVWFUKWKRLX-UHFFFAOYSA-N 0 3 358.402 1.010 20 5 FDBDHN CN1CCC(Nc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000171543273 526029098 /nfs/dbraw/zinc/02/90/98/526029098.db2.gz HXLPWYKCNDJLJX-UHFFFAOYSA-N 0 3 358.402 1.936 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120370451 526040409 /nfs/dbraw/zinc/04/04/09/526040409.db2.gz YHENIJBEEKOZEX-GOEBONIOSA-N 0 3 366.805 1.959 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000120710441 526159498 /nfs/dbraw/zinc/15/94/98/526159498.db2.gz IRELOJZJCKWJHW-YPMHNXCESA-N 0 3 362.386 1.301 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000109688857 526165915 /nfs/dbraw/zinc/16/59/15/526165915.db2.gz MDYYJWROMIODAI-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000109688857 526165921 /nfs/dbraw/zinc/16/59/21/526165921.db2.gz MDYYJWROMIODAI-ZDUSSCGKSA-N 0 3 364.450 1.122 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000109761277 526178150 /nfs/dbraw/zinc/17/81/50/526178150.db2.gz KMKCEJJLHRSVOV-MRXNPFEDSA-N 0 3 370.409 1.537 20 5 FDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182557180 526205765 /nfs/dbraw/zinc/20/57/65/526205765.db2.gz WMNWWRWZYZCVKO-GFCCVEGCSA-N 0 3 373.356 1.773 20 5 FDBDHN COc1cc(F)c([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000183505703 535994162 /nfs/dbraw/zinc/99/41/62/535994162.db2.gz RXEXWIZKASBUPB-CMPLNLGQSA-N 0 3 368.365 1.659 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000183728523 536037194 /nfs/dbraw/zinc/03/71/94/536037194.db2.gz PQKUGIYHENYGSK-CJNGLKHVSA-N 0 3 355.460 1.882 20 5 FDBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184070213 536089784 /nfs/dbraw/zinc/08/97/84/536089784.db2.gz QGFOXSANBXKYKO-LBPRGKRZSA-N 0 3 352.439 1.026 20 5 FDBDHN CCOc1cccc(N2CCN(C(=O)CN(CC)CC)CC2)c1[N+](=O)[O-] ZINC000184108519 536097803 /nfs/dbraw/zinc/09/78/03/536097803.db2.gz PEWJACDQSXPRAR-UHFFFAOYSA-N 0 3 364.446 1.984 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000184389562 536143660 /nfs/dbraw/zinc/14/36/60/536143660.db2.gz KCQYWCIIKMLBEN-LLVKDONJSA-N 0 3 356.373 1.629 20 5 FDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000246253126 536910725 /nfs/dbraw/zinc/91/07/25/536910725.db2.gz JQXIGEUDQSBEEM-BRWVUGGUSA-N 0 3 350.415 1.880 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000266767425 536927219 /nfs/dbraw/zinc/92/72/19/536927219.db2.gz URLISEKGRZPHBE-UHFFFAOYSA-N 0 3 370.409 1.954 20 5 FDBDHN COC(=O)[C@@]1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189111529 536998640 /nfs/dbraw/zinc/99/86/40/536998640.db2.gz XLCOJOVRNNXNHO-INIZCTEOSA-N 0 3 353.350 1.948 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000246669542 537000221 /nfs/dbraw/zinc/00/02/21/537000221.db2.gz GHQTYJWNFKKCQI-RDJZCZTQSA-N 0 3 374.441 1.544 20 5 FDBDHN CCN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000264888464 537149643 /nfs/dbraw/zinc/14/96/43/537149643.db2.gz JIMZMZUWRJXNFW-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN COc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000190350546 537166710 /nfs/dbraw/zinc/16/67/10/537166710.db2.gz HDNWANBZVZKYHR-CYBMUJFWSA-N 0 3 364.446 1.668 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000266008952 537183965 /nfs/dbraw/zinc/18/39/65/537183965.db2.gz RYKDEUACBBLXPZ-CJNGLKHVSA-N 0 3 362.430 1.656 20 5 FDBDHN COc1cc(CNC[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407543 537283049 /nfs/dbraw/zinc/28/30/49/537283049.db2.gz KNLGHQYGZAVZNL-OAHLLOKOSA-N 0 3 362.329 1.488 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000299041769 537417068 /nfs/dbraw/zinc/41/70/68/537417068.db2.gz XQWGQHQOJJVJOB-QMMMGPOBSA-N 0 3 360.317 1.201 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000293598713 537530866 /nfs/dbraw/zinc/53/08/66/537530866.db2.gz BRVQXABODHKMGX-SFHVURJKSA-N 0 3 360.414 1.187 20 5 FDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237062918 537609798 /nfs/dbraw/zinc/60/97/98/537609798.db2.gz WAOKLVIHWSETGA-MRVPVSSYSA-N 0 3 355.338 1.747 20 5 FDBDHN C[C@@H]1CN(CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCCO1 ZINC000277348412 537610832 /nfs/dbraw/zinc/61/08/32/537610832.db2.gz DIGBRNRLIBSLAY-GFCCVEGCSA-N 0 3 372.447 1.155 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285415369 537706738 /nfs/dbraw/zinc/70/67/38/537706738.db2.gz BPHZFPXVMSOXSW-DJIMGWMZSA-N 0 3 365.430 1.130 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411598529 537791803 /nfs/dbraw/zinc/79/18/03/537791803.db2.gz AKMHAHREGYIEOA-CQSZACIVSA-N 0 3 364.446 1.700 20 5 FDBDHN Cc1nc(C)n(C[C@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367138703 537950623 /nfs/dbraw/zinc/95/06/23/537950623.db2.gz HQIZQWPJGLZEIN-OAHLLOKOSA-N 0 3 360.418 1.520 20 5 FDBDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000377742800 538010127 /nfs/dbraw/zinc/01/01/27/538010127.db2.gz LJKADSCNKMMCOL-GFCCVEGCSA-N 0 3 374.488 1.057 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C3CCOCC3)CC2)c1 ZINC000377789699 538022049 /nfs/dbraw/zinc/02/20/49/538022049.db2.gz ZOBPMXLEEZVYIT-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN NC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415450152 538053704 /nfs/dbraw/zinc/05/37/04/538053704.db2.gz MPDYEDSADUINIK-NSHDSACASA-N 0 3 371.191 1.149 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420335150 538267806 /nfs/dbraw/zinc/26/78/06/538267806.db2.gz PGZRQTOHLYFYPK-MRXNPFEDSA-N 0 3 354.382 1.565 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000433763838 538271699 /nfs/dbraw/zinc/27/16/99/538271699.db2.gz CAZOFYUJJWVXOA-GFCCVEGCSA-N 0 3 353.423 1.624 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000433763838 538271705 /nfs/dbraw/zinc/27/17/05/538271705.db2.gz CAZOFYUJJWVXOA-GFCCVEGCSA-N 0 3 353.423 1.624 20 5 FDBDHN COc1cc(C(=O)NCCCNCc2cccnc2)cc([N+](=O)[O-])c1OC ZINC000428118793 538273312 /nfs/dbraw/zinc/27/33/12/538273312.db2.gz DKFCSFHCZIFSPQ-UHFFFAOYSA-N 0 3 374.397 1.917 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446385158 538294385 /nfs/dbraw/zinc/29/43/85/538294385.db2.gz ZLGBOQUFBUDZLH-QIIPPGSGSA-N 0 3 363.414 1.752 20 5 FDBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446890399 538326947 /nfs/dbraw/zinc/32/69/47/538326947.db2.gz KCNOCIIGCMIELY-MRXNPFEDSA-N 0 3 372.443 1.400 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000452349922 538377160 /nfs/dbraw/zinc/37/71/60/538377160.db2.gz NNVTXQKGKCFXFU-CQSZACIVSA-N 0 3 353.444 1.650 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H](O)CN1CCCCC1 ZINC000486763138 538561488 /nfs/dbraw/zinc/56/14/88/538561488.db2.gz AEJAHTBQCLPTKN-GFCCVEGCSA-N 0 3 357.357 1.379 20 5 FDBDHN CCCCN(C)CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495031125 538627121 /nfs/dbraw/zinc/62/71/21/538627121.db2.gz ZLCHQKYCEDHVFE-UHFFFAOYSA-N 0 3 352.439 1.870 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488103905 538711995 /nfs/dbraw/zinc/71/19/95/538711995.db2.gz STYZZEKEQHXHNI-MRXNPFEDSA-N 0 3 371.441 1.920 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000478445089 538744022 /nfs/dbraw/zinc/74/40/22/538744022.db2.gz HAXWJVFNGFBHLF-UHFFFAOYSA-N 0 3 357.370 1.543 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000489141714 538793728 /nfs/dbraw/zinc/79/37/28/538793728.db2.gz RDYVXMVXNCZFRK-CYBMUJFWSA-N 0 3 350.419 1.850 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000469859826 538817253 /nfs/dbraw/zinc/81/72/53/538817253.db2.gz DIUASGSCUZETKB-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000498487961 538834915 /nfs/dbraw/zinc/83/49/15/538834915.db2.gz GXFLPEJEJKCOSO-RAIGVLPGSA-N 0 3 364.402 1.435 20 5 FDBDHN Cc1ccc(C(=O)NCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562994023 546346707 /nfs/dbraw/zinc/34/67/07/546346707.db2.gz UBKCNLFLOUQZLR-INIZCTEOSA-N 0 3 373.409 1.663 20 5 FDBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563137299 546419720 /nfs/dbraw/zinc/41/97/20/546419720.db2.gz CVCNLPMWDUDEFR-WFASDCNBSA-N 0 3 353.419 1.671 20 5 FDBDHN CC(C)Oc1nc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000563426002 546528483 /nfs/dbraw/zinc/52/84/83/546528483.db2.gz LSMNBENMFXMXRO-UHFFFAOYSA-N 0 3 351.451 2.215 20 5 FDBDHN CN1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000564786114 547036761 /nfs/dbraw/zinc/03/67/61/547036761.db2.gz HONBBHMJYRVGSK-ZDUSSCGKSA-N 0 3 355.826 1.075 20 5 FDBDHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000565913478 547530464 /nfs/dbraw/zinc/53/04/64/547530464.db2.gz KCFCCOARYAXCCZ-OAHLLOKOSA-N 0 3 356.448 1.345 20 5 FDBDHN CC[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000567405335 548107065 /nfs/dbraw/zinc/10/70/65/548107065.db2.gz VAWMTCOCKPXRIK-HNNXBMFYSA-N 0 3 360.418 1.796 20 5 FDBDHN CO[C@@H](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567892314 548312848 /nfs/dbraw/zinc/31/28/48/548312848.db2.gz PYWAWHHFAPXDMI-LBPRGKRZSA-N 0 3 370.349 1.926 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000568880487 548718425 /nfs/dbraw/zinc/71/84/25/548718425.db2.gz KYGRJOYUARIWIY-JSGCOSHPSA-N 0 3 355.398 1.965 20 5 FDBDHN C[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000569884146 549081444 /nfs/dbraw/zinc/08/14/44/549081444.db2.gz NOSMGQYFSBCZHW-CJNGLKHVSA-N 0 3 370.475 1.906 20 5 FDBDHN CSC1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000570328292 549239650 /nfs/dbraw/zinc/23/96/50/549239650.db2.gz QKGGTLZIBOMYCR-UHFFFAOYSA-N 0 3 355.464 1.470 20 5 FDBDHN CN(C[C@@H](O)Cn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000574084206 550255034 /nfs/dbraw/zinc/25/50/34/550255034.db2.gz KNDFABYJMNDSCP-LLVKDONJSA-N 0 3 352.778 1.413 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(CO)c(F)c2)c1 ZINC000574313223 550294286 /nfs/dbraw/zinc/29/42/86/550294286.db2.gz RDVLMVWVBWNJNR-HNNXBMFYSA-N 0 3 350.346 1.756 20 5 FDBDHN CCCC(=O)Nc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000575796661 550477001 /nfs/dbraw/zinc/47/70/01/550477001.db2.gz LLBKQNYUAKXAFK-INIZCTEOSA-N 0 3 361.402 1.681 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000578165641 550735133 /nfs/dbraw/zinc/73/51/33/550735133.db2.gz IKYWQHOQWOIXLE-WFASDCNBSA-N 0 3 362.430 1.318 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000578178629 550736131 /nfs/dbraw/zinc/73/61/31/550736131.db2.gz BXHANYNVHKOUFH-UHFFFAOYSA-N 0 3 363.443 2.297 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1F ZINC000578641432 550786169 /nfs/dbraw/zinc/78/61/69/550786169.db2.gz AFQBCFLOOYBNIY-NWDGAFQWSA-N 0 3 351.378 1.980 20 5 FDBDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579053116 550830056 /nfs/dbraw/zinc/83/00/56/550830056.db2.gz DKZZJTJTUMUUIX-BXUZGUMPSA-N 0 3 364.402 1.182 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000579219190 550848482 /nfs/dbraw/zinc/84/84/82/550848482.db2.gz YJPZIVOXCRLESL-UHFFFAOYSA-N 0 3 357.414 2.236 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCO[C@@H]2CCOC2)cc1 ZINC000579463174 550875889 /nfs/dbraw/zinc/87/58/89/550875889.db2.gz GUPZRIPCNGXJOU-CQSZACIVSA-N 0 3 358.416 1.154 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000579996766 550932338 /nfs/dbraw/zinc/93/23/38/550932338.db2.gz LZASCVTWSGHMET-CQSZACIVSA-N 0 3 351.403 1.327 20 5 FDBDHN CNC(=O)c1ccc(NCc2ccncc2OCCN(C)C)c([N+](=O)[O-])c1 ZINC000580490064 550987516 /nfs/dbraw/zinc/98/75/16/550987516.db2.gz ILPXAMNKKWBZBF-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN Cc1ccccc1C[C@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580646373 551004392 /nfs/dbraw/zinc/00/43/92/551004392.db2.gz HAZNGSAHOMSNTR-SJLPKXTDSA-N 0 3 360.410 1.836 20 5 FDBDHN NC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000580770914 551016704 /nfs/dbraw/zinc/01/67/04/551016704.db2.gz GGFUYCOLVSHTHU-MRXNPFEDSA-N 0 3 355.398 1.381 20 5 FDBDHN CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000581088416 551050865 /nfs/dbraw/zinc/05/08/65/551050865.db2.gz CJZYGFLSHLXNJZ-KBPBESRZSA-N 0 3 350.444 1.710 20 5 FDBDHN CC(C)(C)NS(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581290072 551072095 /nfs/dbraw/zinc/07/20/95/551072095.db2.gz SCTDPMVWFOSAEO-CHWSQXEVSA-N 0 3 373.479 1.583 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588861070 551694795 /nfs/dbraw/zinc/69/47/95/551694795.db2.gz OEGBZSTYMZDRJE-DLBZAZTESA-N 0 3 362.430 1.454 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590444963 551785184 /nfs/dbraw/zinc/78/51/84/551785184.db2.gz OPZILCJHEJPNOR-DOMZBBRYSA-N 0 3 356.386 1.260 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000590446382 551785566 /nfs/dbraw/zinc/78/55/66/551785566.db2.gz TTWSGEHKQFOZCA-SWLSCSKDSA-N 0 3 356.382 1.684 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000590446376 551785624 /nfs/dbraw/zinc/78/56/24/551785624.db2.gz TTWSGEHKQFOZCA-IUODEOHRSA-N 0 3 356.382 1.684 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCCN1CCO)OCCO2 ZINC000590655117 551801814 /nfs/dbraw/zinc/80/18/14/551801814.db2.gz KPQLEJPVUSMESC-AWEZNQCLSA-N 0 3 351.403 1.302 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)C1CCCC1 ZINC000591013210 551835524 /nfs/dbraw/zinc/83/55/24/551835524.db2.gz ILEINFJKFSXNGB-UHFFFAOYSA-N 0 3 364.402 1.662 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000591330685 551862892 /nfs/dbraw/zinc/86/28/92/551862892.db2.gz DIVGDJUTMNLEGF-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN O=c1[nH]c2c(cc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000591739532 551905197 /nfs/dbraw/zinc/90/51/97/551905197.db2.gz CDWNDGRKSVFYIR-CQSZACIVSA-N 0 3 359.382 1.714 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCN(c2ccccn2)C1 ZINC000591757085 551906523 /nfs/dbraw/zinc/90/65/23/551906523.db2.gz YCTYFWSCHHOXSS-CABCVRRESA-N 0 3 358.398 1.598 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591924693 551917204 /nfs/dbraw/zinc/91/72/04/551917204.db2.gz HYYPNYALKRDTKP-INIZCTEOSA-N 0 3 373.457 1.787 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000592446352 551996467 /nfs/dbraw/zinc/99/64/67/551996467.db2.gz SDBGDEVIRQVYJR-CYBMUJFWSA-N 0 3 374.422 1.859 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000592543757 552006821 /nfs/dbraw/zinc/00/68/21/552006821.db2.gz HVFVJUVYNIJYFZ-OLZOCXBDSA-N 0 3 364.402 1.249 20 5 FDBDHN C[C@@H](C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000592870909 552037179 /nfs/dbraw/zinc/03/71/79/552037179.db2.gz HDISHAHATQWOAK-VXGBXAGGSA-N 0 3 366.393 1.416 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000592875631 552037958 /nfs/dbraw/zinc/03/79/58/552037958.db2.gz ZVSUZUYIRFDPSW-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000592882363 552038504 /nfs/dbraw/zinc/03/85/04/552038504.db2.gz WDXCUMMBFZNVFC-CYBMUJFWSA-N 0 3 373.413 1.128 20 5 FDBDHN Cc1cc(N2CCN(CCN(C)C)C(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000593486129 552116282 /nfs/dbraw/zinc/11/62/82/552116282.db2.gz LMACHGQAFJMSNX-UHFFFAOYSA-N 0 3 357.414 1.662 20 5 FDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559795 552133935 /nfs/dbraw/zinc/13/39/35/552133935.db2.gz OBQUSTMEBGLUKX-XQQFMLRXSA-N 0 3 356.448 1.635 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593715877 552181044 /nfs/dbraw/zinc/18/10/44/552181044.db2.gz MUMOWYHMIUAFLA-GJZGRUSLSA-N 0 3 353.444 1.539 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594201707 552263969 /nfs/dbraw/zinc/26/39/69/552263969.db2.gz PUWDSDDIWWTVRX-IRXDYDNUSA-N 0 3 374.441 1.848 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000594315026 552285494 /nfs/dbraw/zinc/28/54/94/552285494.db2.gz SHUJWUYIXUDJOP-GFCCVEGCSA-N 0 3 371.397 2.001 20 5 FDBDHN CNc1nccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594317730 552286402 /nfs/dbraw/zinc/28/64/02/552286402.db2.gz GODOMMATIOOJJP-HIFRSBDPSA-N 0 3 369.425 2.424 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000594360288 552295536 /nfs/dbraw/zinc/29/55/36/552295536.db2.gz OTUBPDSYSLMZSL-UHFFFAOYSA-N 0 3 359.386 1.388 20 5 FDBDHN CC(=O)NCc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000594719068 552362931 /nfs/dbraw/zinc/36/29/31/552362931.db2.gz YXTXQJQCMTUTKH-KRWDZBQOSA-N 0 3 373.409 1.760 20 5 FDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594753879 552371525 /nfs/dbraw/zinc/37/15/25/552371525.db2.gz GZKAVBKHRUNUOX-LBPRGKRZSA-N 0 3 364.427 1.763 20 5 FDBDHN N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1F ZINC000595260620 552506858 /nfs/dbraw/zinc/50/68/58/552506858.db2.gz GAPJDYMGPLVADN-MXWKQRLJSA-N 0 3 370.406 1.159 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536217 552580663 /nfs/dbraw/zinc/58/06/63/552580663.db2.gz OYWYSPRSUJXXHD-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@H]12 ZINC000595734621 552608320 /nfs/dbraw/zinc/60/83/20/552608320.db2.gz UMCBEZRCNFHCJG-OAGGEKHMSA-N 0 3 363.414 1.810 20 5 FDBDHN O=C(c1cccc2c1CNC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925031 552634036 /nfs/dbraw/zinc/63/40/36/552634036.db2.gz QUIGSXPKFKHLAH-CYBMUJFWSA-N 0 3 353.382 1.920 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000595985827 552641138 /nfs/dbraw/zinc/64/11/38/552641138.db2.gz BZRVLIMKIMNWDO-KCJUWKMLSA-N 0 3 362.308 1.061 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091380 552654339 /nfs/dbraw/zinc/65/43/39/552654339.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 0 3 372.473 2.287 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NCc3ccc(CN4CC[C@H](O)C4)cc3)nn21 ZINC000596423676 552677831 /nfs/dbraw/zinc/67/78/31/552677831.db2.gz OEVRVDKMXKLAPS-HNNXBMFYSA-N 0 3 368.397 1.816 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596868086 552719572 /nfs/dbraw/zinc/71/95/72/552719572.db2.gz XRKRWCBDHPTQKA-UHFFFAOYSA-N 0 3 365.434 1.695 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597697700 552823596 /nfs/dbraw/zinc/82/35/96/552823596.db2.gz ZERKZYLZSGNKCZ-MSOLQXFVSA-N 0 3 372.425 1.871 20 5 FDBDHN CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCN(CC)C1 ZINC000598039781 552859527 /nfs/dbraw/zinc/85/95/27/552859527.db2.gz NDGUWAGDMKCCNS-OAHLLOKOSA-N 0 3 358.402 1.732 20 5 FDBDHN C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000598187249 552873873 /nfs/dbraw/zinc/87/38/73/552873873.db2.gz VHRXATKDUMKNBW-LBPRGKRZSA-N 0 3 368.409 1.316 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000598536590 552907026 /nfs/dbraw/zinc/90/70/26/552907026.db2.gz TXUXZULQNVHAGD-AWEZNQCLSA-N 0 3 365.434 1.202 20 5 FDBDHN O=[N+]([O-])c1c(N2CC[C@@H](N3CCCCC3)C2)ncnc1N1CCOCC1 ZINC000598595612 552913125 /nfs/dbraw/zinc/91/31/25/552913125.db2.gz KVTRAYJZEIUEHK-CQSZACIVSA-N 0 3 362.434 1.286 20 5 FDBDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598831214 552935816 /nfs/dbraw/zinc/93/58/16/552935816.db2.gz IJNCNGLSTJJZRW-QWRGUYRKSA-N 0 3 363.292 1.937 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000598870242 552938845 /nfs/dbraw/zinc/93/88/45/552938845.db2.gz ZBCKAVAIZYVOES-UHFFFAOYSA-N 0 3 368.459 1.409 20 5 FDBDHN COc1ccc(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1[N+](=O)[O-] ZINC000598991543 552954946 /nfs/dbraw/zinc/95/49/46/552954946.db2.gz OKQXLCBDAPWGJW-CYBMUJFWSA-N 0 3 369.385 1.410 20 5 FDBDHN NS(=O)(=O)c1cccc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599165730 552977567 /nfs/dbraw/zinc/97/75/67/552977567.db2.gz RNADXDLWFVOGSS-LBPRGKRZSA-N 0 3 354.432 1.671 20 5 FDBDHN CCc1cc(NCCN2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599175463 552978902 /nfs/dbraw/zinc/97/89/02/552978902.db2.gz CCHJBTWRMKNIOH-MRXNPFEDSA-N 0 3 357.414 1.515 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599414458 553051599 /nfs/dbraw/zinc/05/15/99/553051599.db2.gz DVZSLGZQOPGRAY-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN Cc1c(NC(=O)CCN2C[C@](C)(CO)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000599624761 553106923 /nfs/dbraw/zinc/10/69/23/553106923.db2.gz WHIHTVAMDYGIJT-HDICACEKSA-N 0 3 365.430 1.545 20 5 FDBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599937106 553177661 /nfs/dbraw/zinc/17/76/61/553177661.db2.gz DGVVPXJJJWMKAR-VXGBXAGGSA-N 0 3 371.340 1.477 20 5 FDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938506 553178472 /nfs/dbraw/zinc/17/84/72/553178472.db2.gz CCQQKOXGBOWTKA-LSDHHAIUSA-N 0 3 371.397 1.266 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105653 553219236 /nfs/dbraw/zinc/21/92/36/553219236.db2.gz SBGIPEUFPPJFIJ-UHFFFAOYSA-N 0 3 351.407 1.378 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](n1cccn1)C(F)(F)F ZINC000600749282 553311071 /nfs/dbraw/zinc/31/10/71/553311071.db2.gz WOSLFBGJHNHXQJ-SMDDNHRTSA-N 0 3 374.319 1.924 20 5 FDBDHN CN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000600816451 553318270 /nfs/dbraw/zinc/31/82/70/553318270.db2.gz DPVPJKJLHULBMI-UHFFFAOYSA-N 0 3 360.414 1.364 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602457061 553585719 /nfs/dbraw/zinc/58/57/19/553585719.db2.gz DTQIWGGKUTXLIO-INIZCTEOSA-N 0 3 354.410 1.943 20 5 FDBDHN COC[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCN1 ZINC000602473747 553589169 /nfs/dbraw/zinc/58/91/69/553589169.db2.gz OXSNQFDUXTUKQH-SFHVURJKSA-N 0 3 362.430 1.402 20 5 FDBDHN Cn1cc([C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000602674929 553621564 /nfs/dbraw/zinc/62/15/64/553621564.db2.gz IFEQDUHFNTXART-HNNXBMFYSA-N 0 3 360.418 1.458 20 5 FDBDHN Cn1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])n1 ZINC000602698510 553624343 /nfs/dbraw/zinc/62/43/43/553624343.db2.gz LUHJUIYZJACQAP-MSOLQXFVSA-N 0 3 371.441 1.804 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000603146504 553716009 /nfs/dbraw/zinc/71/60/09/553716009.db2.gz SPNOXZMRNOUBBM-UONOGXRCSA-N 0 3 358.320 1.915 20 5 FDBDHN CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000603577068 553802594 /nfs/dbraw/zinc/80/25/94/553802594.db2.gz JKNBHCUWXVMLAG-GFCCVEGCSA-N 0 3 358.464 1.987 20 5 FDBDHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000603854330 553820997 /nfs/dbraw/zinc/82/09/97/553820997.db2.gz VXGTUENGENUCPJ-NWDGAFQWSA-N 0 3 356.448 1.917 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000604533356 553885044 /nfs/dbraw/zinc/88/50/44/553885044.db2.gz CLZODKBLQBMUIN-HNNXBMFYSA-N 0 3 365.434 1.203 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000604562914 553890073 /nfs/dbraw/zinc/89/00/73/553890073.db2.gz KQBLBHRDPFZXSE-UHFFFAOYSA-N 0 3 366.418 1.644 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000610404657 554500686 /nfs/dbraw/zinc/50/06/86/554500686.db2.gz HUYROLWMVYTNRV-UONOGXRCSA-N 0 3 362.434 1.304 20 5 FDBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000611185050 554613413 /nfs/dbraw/zinc/61/34/13/554613413.db2.gz AMMSEJNNUSJIGD-UHFFFAOYSA-N 0 3 359.382 1.822 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000611836176 554688285 /nfs/dbraw/zinc/68/82/85/554688285.db2.gz JCQPEXJJAXAOCY-HNNXBMFYSA-N 0 3 360.414 1.234 20 5 FDBDHN C[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617716954 555492900 /nfs/dbraw/zinc/49/29/00/555492900.db2.gz BHAOXVUZAQHMRL-CXAGYDPISA-N 0 3 374.441 1.639 20 5 FDBDHN COC1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000619536724 555795835 /nfs/dbraw/zinc/79/58/35/555795835.db2.gz MARWNIZFRBEVJU-UHFFFAOYSA-N 0 3 351.403 1.509 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366033483 568262302 /nfs/dbraw/zinc/26/23/02/568262302.db2.gz SDQNLVAAFAWWNN-GFCCVEGCSA-N 0 3 355.416 1.462 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639551 607302787 /nfs/dbraw/zinc/30/27/87/607302787.db2.gz DFDBGPZNUOKMMO-CYBMUJFWSA-N 0 3 359.390 1.440 20 5 FDBDHN O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639551 607302788 /nfs/dbraw/zinc/30/27/88/607302788.db2.gz DFDBGPZNUOKMMO-CYBMUJFWSA-N 0 3 359.390 1.440 20 5 FDBDHN CCN1CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272838516 674479827 /nfs/dbraw/zinc/47/98/27/674479827.db2.gz MMGBGTBTDUTJFS-UHFFFAOYSA-N 0 3 362.477 1.109 20 5 FDBDHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273420299 674535358 /nfs/dbraw/zinc/53/53/58/674535358.db2.gz YVHAMWCGMJDOAQ-KBPBESRZSA-N 0 3 352.387 1.610 20 5 FDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273431938 674536655 /nfs/dbraw/zinc/53/66/55/674536655.db2.gz AWYRWCCEEVJHPJ-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000821601637 606700584 /nfs/dbraw/zinc/70/05/84/606700584.db2.gz RJKXEOUCINHLSB-UHFFFAOYSA-N 0 3 357.378 1.145 20 5 FDBDHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000821601637 606700586 /nfs/dbraw/zinc/70/05/86/606700586.db2.gz RJKXEOUCINHLSB-UHFFFAOYSA-N 0 3 357.378 1.145 20 5 FDBDHN C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825860612 608305800 /nfs/dbraw/zinc/30/58/00/608305800.db2.gz UDUJQBGKQICJEK-UHFFFAOYSA-N 0 3 360.422 1.728 20 5 FDBDHN C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825860612 608305801 /nfs/dbraw/zinc/30/58/01/608305801.db2.gz UDUJQBGKQICJEK-UHFFFAOYSA-N 0 3 360.422 1.728 20 5 FDBDHN COC[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261618897 672637403 /nfs/dbraw/zinc/63/74/03/672637403.db2.gz BXUKQHGWOAZFJI-CYBMUJFWSA-N 0 3 363.823 1.295 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000289438260 676136193 /nfs/dbraw/zinc/13/61/93/676136193.db2.gz DNFVHXPICGQHDR-LLVKDONJSA-N 0 3 373.431 1.388 20 5 FDBDHN CN1CCN(CCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279568600 675314479 /nfs/dbraw/zinc/31/44/79/675314479.db2.gz LLIODDNHTHMEES-UHFFFAOYSA-N 0 3 372.828 1.684 20 5 FDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000292816669 676317210 /nfs/dbraw/zinc/31/72/10/676317210.db2.gz AOXVQARFZNJVII-UHFFFAOYSA-N 0 3 366.237 1.587 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000292892132 676325774 /nfs/dbraw/zinc/32/57/74/676325774.db2.gz VEAGLPNSKYRDNI-INIZCTEOSA-N 0 3 369.443 1.710 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000367070587 677483952 /nfs/dbraw/zinc/48/39/52/677483952.db2.gz FGFJSJMKFXRNOY-NSHDSACASA-N 0 3 354.382 1.963 20 5 FDBDHN CCOc1cc(CN2CCN(C)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000411904271 679091238 /nfs/dbraw/zinc/09/12/38/679091238.db2.gz AOYISJBIPIGKJR-CQSZACIVSA-N 0 3 351.403 1.530 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1F ZINC000412208549 679164454 /nfs/dbraw/zinc/16/44/54/679164454.db2.gz AXLRGQLFHFVLQZ-GXTWGEPZSA-N 0 3 371.434 1.789 20 5 FDBDHN COC(=O)c1cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415600764 679462348 /nfs/dbraw/zinc/46/23/48/679462348.db2.gz OPSJFGGGSSMIJR-UWVGGRQHSA-N 0 3 350.375 1.904 20 5 FDBDHN CC(C)NS(=O)(=O)NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325459 679757832 /nfs/dbraw/zinc/75/78/32/679757832.db2.gz DYIMBYASALMSQK-MRXNPFEDSA-N 0 3 370.475 1.784 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N2CCNC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420328602 680432255 /nfs/dbraw/zinc/43/22/55/680432255.db2.gz HSLGGWUUEJBPMU-ZBEGNZNMSA-N 0 3 354.382 1.564 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000429248715 681028167 /nfs/dbraw/zinc/02/81/67/681028167.db2.gz ODNIHVCQBGRKRD-RBSFLKMASA-N 0 3 351.447 1.890 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775901 681047561 /nfs/dbraw/zinc/04/75/61/681047561.db2.gz RAANSXXRPPQLHS-RYUDHWBXSA-N 0 3 350.375 1.046 20 5 FDBDHN COc1cc(CNC[C@H]2CCCCN2CCO)c([N+](=O)[O-])cc1OC ZINC000449389461 682679642 /nfs/dbraw/zinc/67/96/42/682679642.db2.gz DAXNNGPOJOSASE-CQSZACIVSA-N 0 3 353.419 1.548 20 5 FDBDHN CCCN1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475580408 685616337 /nfs/dbraw/zinc/61/63/37/685616337.db2.gz KNDGOTNSWCAHCZ-UHFFFAOYSA-N 0 3 351.403 1.674 20 5 FDBDHN CCCN(CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000461649559 684590273 /nfs/dbraw/zinc/59/02/73/684590273.db2.gz UEMREXDJNOISBQ-LBPRGKRZSA-N 0 3 371.459 1.849 20 5 FDBDHN CCOc1cc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510765393 689418432 /nfs/dbraw/zinc/41/84/32/689418432.db2.gz QYZYXRXIFHQQLQ-ZIAGYGMSSA-N 0 3 371.459 1.944 20 5 FDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000517741118 690092228 /nfs/dbraw/zinc/09/22/28/690092228.db2.gz BMJUBEVUHCOMIM-UHFFFAOYSA-N 0 3 355.338 1.892 20 5 FDBDHN O=C(CN[C@H](CO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518427013 690140326 /nfs/dbraw/zinc/14/03/26/690140326.db2.gz PUYUIFZAQCRPNQ-CQSZACIVSA-N 0 3 357.794 1.564 20 5 FDBDHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414943777 791097988 /nfs/dbraw/zinc/09/79/88/791097988.db2.gz MOYBQPMVXOJINS-UHFFFAOYSA-N 0 3 366.377 1.721 20 5 FDBDHN CN(C)C(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452017662 787318727 /nfs/dbraw/zinc/31/87/27/787318727.db2.gz PZLVWBRWPHWWAA-AWEZNQCLSA-N 0 3 363.418 1.659 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377511380 792060048 /nfs/dbraw/zinc/06/00/48/792060048.db2.gz JOJSJEBOTUYZIL-HZPDHXFCSA-N 0 3 371.397 1.374 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412284802 793041479 /nfs/dbraw/zinc/04/14/79/793041479.db2.gz FZFUKYKEPBZHDS-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN COc1cc(CCNC(=O)N2C[C@@H](C)NC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000416927423 794799501 /nfs/dbraw/zinc/79/95/01/794799501.db2.gz VTFUISBGYSZESB-NEPJUHHUSA-N 0 3 366.418 1.546 20 5 FDBDHN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000500413363 796096152 /nfs/dbraw/zinc/09/61/52/796096152.db2.gz GVYJLYNSDRBXDP-ZFWWWQNUSA-N 0 3 361.446 1.275 20 5 FDBDHN COC(=O)CC1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000280339847 811786835 /nfs/dbraw/zinc/78/68/35/811786835.db2.gz HRRKNICTMUYFBU-UHFFFAOYSA-N 0 3 361.398 1.949 20 5 FDBDHN CCCNC(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515165969 816127085 /nfs/dbraw/zinc/12/70/85/816127085.db2.gz RFMNMRQKSQMRTJ-INIZCTEOSA-N 0 3 361.402 1.082 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515498870 816290868 /nfs/dbraw/zinc/29/08/68/816290868.db2.gz JUFSLSRUXUYZFV-HUUCEWRRSA-N 0 3 368.397 1.108 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425503459 816395289 /nfs/dbraw/zinc/39/52/89/816395289.db2.gz JAJDOALGOICBLM-CQSZACIVSA-N 0 3 372.385 1.821 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000894354419 817564802 /nfs/dbraw/zinc/56/48/02/817564802.db2.gz UVOUDDLMQDPTLY-LLVKDONJSA-N 0 3 361.377 1.838 20 5 FDBDHN CC(C)(C)c1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983656510 818428022 /nfs/dbraw/zinc/42/80/22/818428022.db2.gz DAHOULOTWKLWQE-DDHJBXDOSA-N 0 3 351.407 1.017 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000895065131 819840093 /nfs/dbraw/zinc/84/00/93/819840093.db2.gz DGRVWBYUULENCW-XKQJLSEDSA-N 0 3 362.430 1.896 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000896994285 826739657 /nfs/dbraw/zinc/73/96/57/826739657.db2.gz UTDQODLKUPVFEL-UHFFFAOYSA-N 0 3 360.418 1.647 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220395 827181125 /nfs/dbraw/zinc/18/11/25/827181125.db2.gz AMJGCBOVAZFQQD-HUUCEWRRSA-N 0 3 363.414 1.725 20 5 FDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000440522648 828174174 /nfs/dbraw/zinc/17/41/74/828174174.db2.gz PEEAHYXTARPOPD-IBGZPJMESA-N 0 3 355.394 1.962 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520331992 830932157 /nfs/dbraw/zinc/93/21/57/830932157.db2.gz SCLSUKHOGDKAOC-YPMHNXCESA-N 0 3 362.386 1.145 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453919034 831418764 /nfs/dbraw/zinc/41/87/64/831418764.db2.gz PBMKAHXYOGEOIG-SMDDNHRTSA-N 0 3 362.386 1.095 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000454086102 834548486 /nfs/dbraw/zinc/54/84/86/834548486.db2.gz FULBSCXRNIVOGB-CYBMUJFWSA-N 0 3 364.402 1.483 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc21 ZINC000476352729 840286222 /nfs/dbraw/zinc/28/62/22/840286222.db2.gz ISRQMUMBNRFYOI-UHFFFAOYSA-N 0 3 374.357 1.050 20 5 FDBDHN O=C(NCCNCc1ccn(-c2ccc(F)cc2F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936645 848625625 /nfs/dbraw/zinc/62/56/25/848625625.db2.gz OGFOQCDZBINPGI-IUODEOHRSA-N 0 3 365.340 1.022 20 5 FDBDHN CC(C)[C@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCN1C ZINC000485732794 852798630 /nfs/dbraw/zinc/79/86/30/852798630.db2.gz KVZVOMJJCYWEER-JKSUJKDBSA-N 0 3 360.414 1.499 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910281964 857029794 /nfs/dbraw/zinc/02/97/94/857029794.db2.gz NZOZAQONTNHPMB-JSGCOSHPSA-N 0 3 366.466 1.770 20 5 FDBDHN CCN1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000910285834 857034256 /nfs/dbraw/zinc/03/42/56/857034256.db2.gz UVSVPDYHZZORTF-ZDUSSCGKSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488918225 858926374 /nfs/dbraw/zinc/92/63/74/858926374.db2.gz PSJOQCFICQVDHE-ZDUSSCGKSA-N 0 3 365.386 1.506 20 5 FDBDHN COc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272774126 881862063 /nfs/dbraw/zinc/86/20/63/881862063.db2.gz CRFVOJHJQQLVPV-ZDUSSCGKSA-N 0 3 365.434 1.608 20 5 FDBDHN CNc1nc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000456068987 866660172 /nfs/dbraw/zinc/66/01/72/866660172.db2.gz RDFIOOGAKNEOFU-CQSZACIVSA-N 0 3 371.397 1.850 20 5 FDBDHN Cn1cc(Cl)c(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034644081 884605545 /nfs/dbraw/zinc/60/55/45/884605545.db2.gz BMRKIMNJWDBRSI-ZHSDAYTOSA-N 0 3 355.826 1.256 20 5 FDBDHN Cc1ncc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)s1 ZINC001035704462 886329727 /nfs/dbraw/zinc/32/97/27/886329727.db2.gz PGMZUCLDPXOETD-ZIAGYGMSSA-N 0 3 350.444 1.541 20 5 FDBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000429306562 887901267 /nfs/dbraw/zinc/90/12/67/887901267.db2.gz GFEPGZULVCTZAC-NSHDSACASA-N 0 3 371.349 1.725 20 5 FDBDHN CCCCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428847 903912816 /nfs/dbraw/zinc/91/28/16/903912816.db2.gz IYNZCPJPSLJUJI-CHWSQXEVSA-N 0 3 351.407 1.158 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000733161905 920709097 /nfs/dbraw/zinc/70/90/97/920709097.db2.gz MTPVZHAMKCMSJP-ZDUSSCGKSA-N 0 3 368.409 1.255 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000823806305 922073526 /nfs/dbraw/zinc/07/35/26/922073526.db2.gz QMPDYTJWKLVDAA-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN C[C@@H]1CCCN1C(=O)c1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018845 928238846 /nfs/dbraw/zinc/23/88/46/928238846.db2.gz COYZYACJWATMPO-MCIONIFRSA-N 0 3 361.446 1.771 20 5 FDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3nnc(COc4ccccn4)n3CC2)C1 ZINC001169018781 928239484 /nfs/dbraw/zinc/23/94/84/928239484.db2.gz DSKOKALAISJLOS-GJZGRUSLSA-N 0 3 372.429 1.556 20 5 FDBDHN O=C(NC1CCCC1)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025250 928250362 /nfs/dbraw/zinc/25/03/62/928250362.db2.gz SYCLXZQCIJYJEL-TZMCWYRMSA-N 0 3 361.446 1.819 20 5 FDBDHN O=c1[nH]c(Br)cnc1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169851546 928932371 /nfs/dbraw/zinc/93/23/71/928932371.db2.gz PHSFAWILRMVGSA-UHFFFAOYSA-N 0 3 352.148 1.787 20 5 FDBDHN O=C(OCCn1cnc([N+](=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000805892665 938843321 /nfs/dbraw/zinc/84/33/21/938843321.db2.gz NBUZJPXEEKRSJK-UHFFFAOYSA-N 0 3 359.386 1.642 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](CO)CN(C)C)CC1 ZINC000808174021 940528175 /nfs/dbraw/zinc/52/81/75/940528175.db2.gz PAPRVMNZSMVKMV-CQSZACIVSA-N 0 3 364.446 1.483 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813100152 941325547 /nfs/dbraw/zinc/32/55/47/941325547.db2.gz OBBLZDRVDMLAKF-MNOVXSKESA-N 0 3 362.429 1.500 20 5 FDBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813104076 941326318 /nfs/dbraw/zinc/32/63/18/941326318.db2.gz JOIVLSBXGMOJHU-BQBZGAKWSA-N 0 3 365.205 1.837 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[N+](=O)[O-] ZINC000813104179 941326620 /nfs/dbraw/zinc/32/66/20/941326620.db2.gz XNRYXOWWTWNFDZ-MPKXVKKWSA-N 0 3 352.391 1.317 20 5 FDBDHN CC(COC(=O)CCNC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813107788 941333706 /nfs/dbraw/zinc/33/37/06/941333706.db2.gz WDVFBRLAVVPPQU-VIFPVBQESA-N 0 3 359.176 1.777 20 5 FDBDHN COc1ccc([C@@H]2[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000813112573 941335748 /nfs/dbraw/zinc/33/57/48/941335748.db2.gz INWBENBMZCMHHM-SGIREYDYSA-N 0 3 350.371 1.813 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[N+](=O)[O-] ZINC000813114019 941336525 /nfs/dbraw/zinc/33/65/25/941336525.db2.gz XUSDILLMEBFOBD-WDEREUQCSA-N 0 3 350.327 1.019 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000815704809 941946915 /nfs/dbraw/zinc/94/69/15/941946915.db2.gz QFDZZWOIZNXXED-LRDDRELGSA-N 0 3 374.441 1.993 20 5 FDBDHN CNS(=O)(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818953499 943362761 /nfs/dbraw/zinc/36/27/61/943362761.db2.gz ISIQMKAJCSHUIV-INIZCTEOSA-N 0 3 365.411 1.326 20 5 FDBDHN CC(C)(C)OC(=O)N1CC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819079243 943433749 /nfs/dbraw/zinc/43/37/49/943433749.db2.gz SIJRAMGJWBFTDT-CQSZACIVSA-N 0 3 367.402 1.543 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000819309073 943513125 /nfs/dbraw/zinc/51/31/25/943513125.db2.gz KDYOQZLGTHXFKK-ZIAGYGMSSA-N 0 3 363.336 1.481 20 5 FDBDHN CN1CCN(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC000823944637 946110236 /nfs/dbraw/zinc/11/02/36/946110236.db2.gz BPQGYUGLXGESAQ-UHFFFAOYSA-N 0 3 350.423 1.325 20 5 FDBDHN CC([C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872729 950042588 /nfs/dbraw/zinc/04/25/88/950042588.db2.gz MWIUSIAEWZBTRL-MGPLVRAMSA-N 0 3 352.318 1.614 20 5 FDBDHN CC([C@H](OC(=O)Cc1nc2ncccn2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845875129 950047128 /nfs/dbraw/zinc/04/71/28/950047128.db2.gz LRUTXVDDKZDYAN-BONVTDFDSA-N 0 3 359.317 1.756 20 5 FDBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NC3(CCO)COC3)CC2)c(F)c1 ZINC001173010324 961882860 /nfs/dbraw/zinc/88/28/60/961882860.db2.gz FWBATADDIHFKMK-UHFFFAOYSA-N 0 3 357.357 1.583 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2(C(N)=O)CCOCC2)c1F ZINC001173185603 961955044 /nfs/dbraw/zinc/95/50/44/961955044.db2.gz AZVYCBJTXJHFPZ-JTQLQIEISA-N 0 3 355.366 1.298 20 5 FDBDHN COC(=O)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776582848 967137129 /nfs/dbraw/zinc/13/71/29/967137129.db2.gz CLRBLQLNTKELPK-HZPDHXFCSA-N 0 3 352.387 1.672 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000852570105 967431275 /nfs/dbraw/zinc/43/12/75/967431275.db2.gz NCROQDYCFKESQZ-UHFFFAOYSA-N 0 3 368.390 1.562 20 5 FDBDHN CCc1nnc(CN(CC)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000957712967 1013854339 /nfs/dbraw/zinc/85/43/39/1013854339.db2.gz CPGJPINHDMLUCH-ZIAGYGMSSA-N 0 3 365.434 1.358 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865177366 974163217 /nfs/dbraw/zinc/16/32/17/974163217.db2.gz HERSMRGMPJLYOQ-AWEZNQCLSA-N 0 3 353.394 1.846 20 5 FDBDHN CN(C)c1ccc(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000120448113 974195930 /nfs/dbraw/zinc/19/59/30/974195930.db2.gz QGMVCBMZTQIHDQ-UHFFFAOYSA-N 0 3 358.402 1.783 20 5 FDBDHN CCN1CCN(CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848580558 976909150 /nfs/dbraw/zinc/90/91/50/976909150.db2.gz YNTPILPQAMWEMX-UHFFFAOYSA-N 0 3 372.372 1.320 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582493 976913514 /nfs/dbraw/zinc/91/35/14/976913514.db2.gz MSXPOBHQOWHJSH-OCCSQVGLSA-N 0 3 371.340 1.546 20 5 FDBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC001202611478 982663685 /nfs/dbraw/zinc/66/36/85/982663685.db2.gz IYJGFQWYNLURON-QMTHXVAHSA-N 0 3 362.329 1.641 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957167 985001677 /nfs/dbraw/zinc/00/16/77/985001677.db2.gz MEWCGMMTSYMERB-NEPJUHHUSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957167 985001689 /nfs/dbraw/zinc/00/16/89/985001689.db2.gz MEWCGMMTSYMERB-NEPJUHHUSA-N 0 3 357.407 1.947 20 5 FDBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(Br)c1 ZINC000870377602 985952489 /nfs/dbraw/zinc/95/24/89/985952489.db2.gz RGYAMQJDEPNVIW-PRHODGIISA-N 0 3 359.176 1.835 20 5 FDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000366201921 988535384 /nfs/dbraw/zinc/53/53/84/988535384.db2.gz NDNIREHURJBGQZ-ZDUSSCGKSA-N 0 3 359.386 1.454 20 5 FDBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363206755 988993698 /nfs/dbraw/zinc/99/36/98/988993698.db2.gz PSJGIDYIWNBAPG-DGCLKSJQSA-N 0 3 364.358 1.404 20 5 FDBDHN COc1ccc(OCCN2CCN([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000363505812 989252387 /nfs/dbraw/zinc/25/23/87/989252387.db2.gz BCCKMMCNPBBOJM-RDJZCZTQSA-N 0 3 365.430 1.513 20 5 FDBDHN COCCCN1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363648522 989366855 /nfs/dbraw/zinc/36/68/55/989366855.db2.gz LDGSZPLGNVERBK-UHFFFAOYSA-N 0 3 365.430 1.935 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370505076 989793712 /nfs/dbraw/zinc/79/37/12/989793712.db2.gz PKAGLUJJXTXDAR-ZDUSSCGKSA-N 0 3 359.386 1.456 20 5 FDBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000371458773 990445973 /nfs/dbraw/zinc/44/59/73/990445973.db2.gz MBMCKWCEYGTKTO-CGTJXYLNSA-N 0 3 360.414 1.950 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000371852646 990778072 /nfs/dbraw/zinc/77/80/72/990778072.db2.gz IXYAGIZRSRAIIG-CQSZACIVSA-N 0 3 361.446 1.277 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000372018801 990896335 /nfs/dbraw/zinc/89/63/35/990896335.db2.gz YJPPRQMOPBLKLN-CQSZACIVSA-N 0 3 359.386 1.537 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000876475348 992646947 /nfs/dbraw/zinc/64/69/47/992646947.db2.gz JZLRCVNPAKHGHS-QGZVFWFLSA-N 0 3 369.393 1.462 20 5 FDBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000470166570 993959279 /nfs/dbraw/zinc/95/92/79/993959279.db2.gz GXINFIKVANJLJW-HNNXBMFYSA-N 0 3 360.418 1.459 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879144389 994573915 /nfs/dbraw/zinc/57/39/15/994573915.db2.gz MJUNUOUKBSIZJO-BXUZGUMPSA-N 0 3 361.398 1.969 20 5 FDBDHN O=C([N-]C[C@H]1C[NH2+]CCC1(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000887403998 997239056 /nfs/dbraw/zinc/23/90/56/997239056.db2.gz QVXARVZHNHHSOW-SECBINFHSA-N 0 3 365.283 1.927 20 5 FDBDHN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000270776177 999612456 /nfs/dbraw/zinc/61/24/56/999612456.db2.gz IWQLNQGXCBUJNB-UHFFFAOYSA-N 0 3 358.402 1.492 20 5 FDBDHN COc1ccc(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289709815 1000114619 /nfs/dbraw/zinc/11/46/19/1000114619.db2.gz OXXYWABLUGMSIJ-PXAZEXFGSA-N 0 3 362.386 1.556 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@](CO)(c2ccccc2)C1 ZINC000291849653 1000198049 /nfs/dbraw/zinc/19/80/49/1000198049.db2.gz OYNNJTGHTNEEHT-XLIONFOSSA-N 0 3 372.421 1.971 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000929420861 1002031643 /nfs/dbraw/zinc/03/16/43/1002031643.db2.gz BXJOZOMETPTVMP-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCN(Cc3cncs3)CC2)C1 ZINC000949092299 1002983193 /nfs/dbraw/zinc/98/31/93/1002983193.db2.gz SUBTWQKWMDUTHA-ZIAGYGMSSA-N 0 3 366.443 1.002 20 5 FDBDHN Cn1ccc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000932146919 1004793584 /nfs/dbraw/zinc/79/35/84/1004793584.db2.gz AJRBNBDUOUYVHH-MRXNPFEDSA-N 0 3 360.414 1.948 20 5 FDBDHN C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000932714399 1005117776 /nfs/dbraw/zinc/11/77/76/1005117776.db2.gz HADAGQTWLHJRDH-ZTFGCOKTSA-N 0 3 360.458 1.698 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000933338878 1005541656 /nfs/dbraw/zinc/54/16/56/1005541656.db2.gz ORVNMKYKLJEYCL-KBPBESRZSA-N 0 3 362.430 1.367 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190559979 178010481 /nfs/dbraw/zinc/01/04/81/178010481.db2.gz AFZDWUDDZJHUPF-CYBMUJFWSA-N 0 3 365.365 1.230 20 5 FDBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193415004 178162624 /nfs/dbraw/zinc/16/26/24/178162624.db2.gz CGTXRQGPUDOVQD-GZMMTYOYSA-N 0 3 367.349 1.890 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(CCc2ccccc2)CC1 ZINC000194262268 178204355 /nfs/dbraw/zinc/20/43/55/178204355.db2.gz LXPYUTMTYJJCPR-UHFFFAOYSA-N 0 3 357.414 1.615 20 5 FDBDHN Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000237647750 178323761 /nfs/dbraw/zinc/32/37/61/178323761.db2.gz XNKFQOXMMKTRAZ-CYBMUJFWSA-N 0 3 371.397 1.403 20 5 FDBDHN O=C(C[C@H]1CSCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238083048 178347882 /nfs/dbraw/zinc/34/78/82/178347882.db2.gz XMXQIKHIQUSWER-RYUDHWBXSA-N 0 3 351.432 1.098 20 5 FDBDHN CN1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000265294661 179332742 /nfs/dbraw/zinc/33/27/42/179332742.db2.gz NAEFCBXAZUGVFJ-UHFFFAOYSA-N 0 3 354.794 1.142 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265295881 179333438 /nfs/dbraw/zinc/33/34/38/179333438.db2.gz LGFCCNIOJIZPNV-CQSZACIVSA-N 0 3 362.430 1.515 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269193221 180238941 /nfs/dbraw/zinc/23/89/41/180238941.db2.gz HUUMMGYHHYAWPC-GFCCVEGCSA-N 0 3 368.393 1.998 20 5 FDBDHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000274563671 181122754 /nfs/dbraw/zinc/12/27/54/181122754.db2.gz KLLYGUVBRKBWLI-LSDHHAIUSA-N 0 3 363.462 1.981 20 5 FDBDHN COc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000274566642 181123911 /nfs/dbraw/zinc/12/39/11/181123911.db2.gz AAEIFBCXTGECKN-ZDUSSCGKSA-N 0 3 365.434 1.751 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000531833339 540120552 /nfs/dbraw/zinc/12/05/52/540120552.db2.gz PQGSMUCCCCLHRK-CYBMUJFWSA-N 0 3 352.410 1.737 20 5 FDBDHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397911 540159470 /nfs/dbraw/zinc/15/94/70/540159470.db2.gz VYCZQHYCAJVCMR-KRWDZBQOSA-N 0 3 356.382 1.793 20 5 FDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447243918 538360896 /nfs/dbraw/zinc/36/08/96/538360896.db2.gz BVNAIJLNEHIMOM-ZETCQYMHSA-N 0 3 352.210 1.230 20 5 FDBDHN CC(C)N(C)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000537020968 540674203 /nfs/dbraw/zinc/67/42/03/540674203.db2.gz WSERNBKFGQGDGN-UHFFFAOYSA-N 0 3 360.418 1.796 20 5 FDBDHN C[C@@]1(c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)NC(=O)NC1=O ZINC000539497463 540966284 /nfs/dbraw/zinc/96/62/84/540966284.db2.gz INWQWCVIYCKSIJ-SFHVURJKSA-N 0 3 354.366 1.939 20 5 FDBDHN COC(=O)[C@H](C)NC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000540286925 541042439 /nfs/dbraw/zinc/04/24/39/541042439.db2.gz MHFMQARGEUIAFS-LBPRGKRZSA-N 0 3 364.402 1.394 20 5 FDBDHN COC(=O)CCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541349219 541191385 /nfs/dbraw/zinc/19/13/85/541191385.db2.gz UJZJIUMSCIUURO-OAHLLOKOSA-N 0 3 366.414 2.000 20 5 FDBDHN Cc1cc(NCCNC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542102771 541336797 /nfs/dbraw/zinc/33/67/97/541336797.db2.gz DLYRAHBCRQTLMK-UHFFFAOYSA-N 0 3 352.354 1.505 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665505 541444645 /nfs/dbraw/zinc/44/46/45/541444645.db2.gz MQEIHUQDFVVHQQ-LRDDRELGSA-N 0 3 353.444 1.441 20 5 FDBDHN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCO1 ZINC000544462131 541771285 /nfs/dbraw/zinc/77/12/85/541771285.db2.gz QHDKLIQBYFEWOZ-MFKMUULPSA-N 0 3 351.359 1.809 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280244317 181955273 /nfs/dbraw/zinc/95/52/73/181955273.db2.gz BBTAOXHFPMLUMC-AEFFLSMTSA-N 0 3 373.409 1.883 20 5 FDBDHN COC(=O)[C@]1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282424293 182009192 /nfs/dbraw/zinc/00/91/92/182009192.db2.gz ISHXBQVVFAGOIH-HACGYAERSA-N 0 3 352.387 1.466 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282725009 182048047 /nfs/dbraw/zinc/04/80/47/182048047.db2.gz HVKFHUAPFICOHY-ZDUSSCGKSA-N 0 3 366.805 1.978 20 5 FDBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000546035553 542081208 /nfs/dbraw/zinc/08/12/08/542081208.db2.gz BRDYOORHGGPTHS-ZIAGYGMSSA-N 0 3 362.430 1.704 20 5 FDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000286358888 183047639 /nfs/dbraw/zinc/04/76/39/183047639.db2.gz LGIXZMMHNZBJPI-RYUDHWBXSA-N 0 3 351.432 1.994 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287114589 183215292 /nfs/dbraw/zinc/21/52/92/183215292.db2.gz YQRJBEFNZLMERN-HUUCEWRRSA-N 0 3 354.794 1.519 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000287286072 183253636 /nfs/dbraw/zinc/25/36/36/183253636.db2.gz UFBBCFTXRGRSNV-BBRMVZONSA-N 0 3 362.430 1.574 20 5 FDBDHN COCCOC1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000294715971 184003374 /nfs/dbraw/zinc/00/33/74/184003374.db2.gz FBTMWRAYNKDJSC-UHFFFAOYSA-N 0 3 354.403 1.905 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1N(C)C ZINC000294802614 184010021 /nfs/dbraw/zinc/01/00/21/184010021.db2.gz CGWGTDSVHWPDKM-LSDHHAIUSA-N 0 3 370.450 1.918 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296000876 184120949 /nfs/dbraw/zinc/12/09/49/184120949.db2.gz XSIUSALMAZHFAE-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN COc1ccc(NC(=O)CCN(CC(N)=O)CC(C)C)c([N+](=O)[O-])c1 ZINC000297826329 184337439 /nfs/dbraw/zinc/33/74/39/184337439.db2.gz JQDAEIVRDLWGPM-UHFFFAOYSA-N 0 3 352.391 1.375 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000547764098 542439559 /nfs/dbraw/zinc/43/95/59/542439559.db2.gz VBQZACCOPWIRDC-VXGBXAGGSA-N 0 3 351.407 1.191 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000184308350 177624774 /nfs/dbraw/zinc/62/47/74/177624774.db2.gz PWDSSSPUCHOJMA-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171983103 258271132 /nfs/dbraw/zinc/27/11/32/258271132.db2.gz OHAIAUUBGMHKTP-VMPITWQZSA-N 0 3 374.441 1.524 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OCCO)C1 ZINC000172296641 258272369 /nfs/dbraw/zinc/27/23/69/258272369.db2.gz GMVLQEGZFCNYES-HNNXBMFYSA-N 0 3 351.403 1.705 20 5 FDBDHN COc1ccc(CC(=O)N[C@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000560844092 545618142 /nfs/dbraw/zinc/61/81/42/545618142.db2.gz OIQJGFYDPZZAJX-AWEZNQCLSA-N 0 3 351.403 1.109 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553191833 543583964 /nfs/dbraw/zinc/58/39/64/543583964.db2.gz ODXYBDPGLCSELW-LBPRGKRZSA-N 0 3 360.418 1.682 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000073463020 172063443 /nfs/dbraw/zinc/06/34/43/172063443.db2.gz KRACOVCPFLFWIP-OAHLLOKOSA-N 0 3 358.402 1.698 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000085456779 172218120 /nfs/dbraw/zinc/21/81/20/172218120.db2.gz JCLJARWQASFYAC-BETUJISGSA-N 0 3 350.419 1.796 20 5 FDBDHN CNS(=O)(=O)c1cccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538772 172266565 /nfs/dbraw/zinc/26/65/65/172266565.db2.gz UHZFYOOVSFUFAE-NSHDSACASA-N 0 3 353.404 1.050 20 5 FDBDHN COc1cc(CN2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093664574 172319733 /nfs/dbraw/zinc/31/97/33/172319733.db2.gz TXGULGGUHZEURK-CQSZACIVSA-N 0 3 365.430 1.766 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000103449675 172366098 /nfs/dbraw/zinc/36/60/98/172366098.db2.gz GNCXVCMVJNNDQK-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131229046 173193619 /nfs/dbraw/zinc/19/36/19/173193619.db2.gz SSSKHIQJLJUXCW-MNOVXSKESA-N 0 3 354.794 1.820 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131988764 173219710 /nfs/dbraw/zinc/21/97/10/173219710.db2.gz SROWHOLZFPOGIC-HNNXBMFYSA-N 0 3 361.402 1.541 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134150555 173319292 /nfs/dbraw/zinc/31/92/92/173319292.db2.gz MDOLVXJVVSTDOH-NSHDSACASA-N 0 3 368.821 1.987 20 5 FDBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CN1CCN(C)CC1 ZINC000134613041 173329107 /nfs/dbraw/zinc/32/91/07/173329107.db2.gz XHLIWZQYYVEOHU-CQSZACIVSA-N 0 3 373.457 1.618 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150811054 173382655 /nfs/dbraw/zinc/38/26/55/173382655.db2.gz HUIPQDJRFFCYQX-GFCCVEGCSA-N 0 3 369.443 1.899 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000176057024 174048166 /nfs/dbraw/zinc/04/81/66/174048166.db2.gz NTERHTLYMZNNOW-LLVKDONJSA-N 0 3 357.407 1.805 20 5 FDBDHN C[NH+](C)C1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000176921866 174094699 /nfs/dbraw/zinc/09/46/99/174094699.db2.gz CBKOGURJNPSNAS-UHFFFAOYSA-N 0 3 374.438 1.038 20 5 FDBDHN CNS(=O)(=O)c1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181018636 174201411 /nfs/dbraw/zinc/20/14/11/174201411.db2.gz ZGESSODQJLCGNK-NSHDSACASA-N 0 3 353.404 1.050 20 5 FDBDHN CC(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181595584 174236009 /nfs/dbraw/zinc/23/60/09/174236009.db2.gz SRAFIMKALVELDP-CABCVRRESA-N 0 3 351.403 1.183 20 5 FDBDHN CN1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000179203867 258346383 /nfs/dbraw/zinc/34/63/83/258346383.db2.gz BCMRAGRFRPYQEJ-CVEARBPZSA-N 0 3 358.402 1.536 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]2C1 ZINC000192921665 258392843 /nfs/dbraw/zinc/39/28/43/258392843.db2.gz RIDXKXCTKDXXAJ-TXEJJXNPSA-N 0 3 362.411 1.325 20 5 FDBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCO1 ZINC000279002466 258526264 /nfs/dbraw/zinc/52/62/64/258526264.db2.gz DAVNWBJLTWAFIO-HUUCEWRRSA-N 0 3 355.366 1.846 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000554336284 543785930 /nfs/dbraw/zinc/78/59/30/543785930.db2.gz YUNCQNVQGLUDOB-JSGCOSHPSA-N 0 3 360.414 1.078 20 5 FDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(N2CCc3ccccc3C2)CC1 ZINC000554860380 543882782 /nfs/dbraw/zinc/88/27/82/543882782.db2.gz LIVQZGUVXLVMJN-UHFFFAOYSA-N 0 3 355.398 1.981 20 5 FDBDHN Cc1cc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000555544718 543970550 /nfs/dbraw/zinc/97/05/50/543970550.db2.gz PYIKIRYTVRJKRG-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000557457255 544294108 /nfs/dbraw/zinc/29/41/08/544294108.db2.gz NCASFIBPKCACEX-VXGBXAGGSA-N 0 3 356.448 1.917 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301194371 259022853 /nfs/dbraw/zinc/02/28/53/259022853.db2.gz NLKNRWQFLJTULQ-GFCCVEGCSA-N 0 3 368.459 1.932 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301216126 259023310 /nfs/dbraw/zinc/02/33/10/259023310.db2.gz YDHUJIRHFGQACK-UHFFFAOYSA-N 0 3 352.822 1.993 20 5 FDBDHN CCN1CCCC[C@@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000301242152 259024352 /nfs/dbraw/zinc/02/43/52/259024352.db2.gz OMJPCGHSJOKDMK-GFCCVEGCSA-N 0 3 356.448 1.789 20 5 FDBDHN C[C@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@H](C)O1 ZINC000301524457 259029485 /nfs/dbraw/zinc/02/94/85/259029485.db2.gz FLMRFPSFHWRUKM-STQMWFEESA-N 0 3 364.450 1.683 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000301555806 259029859 /nfs/dbraw/zinc/02/98/59/259029859.db2.gz HJQAMIRHIRJFDQ-OLZOCXBDSA-N 0 3 368.459 1.566 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3CN3CC[C@H](O)C3)nn21 ZINC000302027788 259037640 /nfs/dbraw/zinc/03/76/40/259037640.db2.gz ALGNCBZSNZUAEX-HNNXBMFYSA-N 0 3 368.397 1.816 20 5 FDBDHN Cc1nn(C)c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302467666 259042640 /nfs/dbraw/zinc/04/26/40/259042640.db2.gz STMDSIHPZUOEFV-GOSISDBHSA-N 0 3 359.430 1.710 20 5 FDBDHN CC(C)N1CCN(CCCn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000331328127 259188038 /nfs/dbraw/zinc/18/80/38/259188038.db2.gz GUUBULLZYPWQHE-UHFFFAOYSA-N 0 3 360.256 1.970 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000331710755 259214239 /nfs/dbraw/zinc/21/42/39/259214239.db2.gz KPTCVEIKEZZTMN-ZENOOKHLSA-N 0 3 360.414 1.266 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000332450166 259267497 /nfs/dbraw/zinc/26/74/97/259267497.db2.gz TXHPGYXQTGPHBI-KFWWJZLASA-N 0 3 362.430 1.620 20 5 FDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000367365207 260031203 /nfs/dbraw/zinc/03/12/03/260031203.db2.gz MLSOBSHGOCAVKT-UHFFFAOYSA-N 0 3 365.353 1.469 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368399062 260177228 /nfs/dbraw/zinc/17/72/28/260177228.db2.gz HSQRDYWXBMZCTR-HIFRSBDPSA-N 0 3 360.414 1.703 20 5 FDBDHN Cn1cc(CNC[C@H]2CN(C3CC3)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368683555 260219781 /nfs/dbraw/zinc/21/97/81/260219781.db2.gz FXWNMLVGHNGPKK-SFHVURJKSA-N 0 3 371.441 1.948 20 5 FDBDHN C[C@@H](CO)N1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368973969 260270655 /nfs/dbraw/zinc/27/06/55/260270655.db2.gz MHLDTYBMADJBQQ-LBPRGKRZSA-N 0 3 370.837 1.575 20 5 FDBDHN Cn1cc(CNC[C@@H]2CN3CCC[C@H]3CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369036697 260282238 /nfs/dbraw/zinc/28/22/38/260282238.db2.gz QPEOLIPTMQKKEL-ZWKOTPCHSA-N 0 3 371.441 1.948 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000369345508 260344324 /nfs/dbraw/zinc/34/43/24/260344324.db2.gz UWICGZUUBOMQSZ-SGMGOOAPSA-N 0 3 365.434 1.500 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373672480 261029311 /nfs/dbraw/zinc/02/93/11/261029311.db2.gz IAPXFDJZRUHYRU-QGZVFWFLSA-N 0 3 362.386 1.806 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000374905510 261223292 /nfs/dbraw/zinc/22/32/92/261223292.db2.gz YYUHQJYOZMYHLZ-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000374943881 261232860 /nfs/dbraw/zinc/23/28/60/261232860.db2.gz JERUWAKYZSXFEZ-UHFFFAOYSA-N 0 3 373.413 1.559 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375042943 261255922 /nfs/dbraw/zinc/25/59/22/261255922.db2.gz UPKCSKGDEQRGAP-XHDPSFHLSA-N 0 3 354.432 1.033 20 5 FDBDHN Cc1c(NC(=O)[C@@H](C)N2CCCN([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375502038 261356174 /nfs/dbraw/zinc/35/61/74/261356174.db2.gz PPIZXTOPDXWSFP-DZGCQCFKSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000043270172 521843038 /nfs/dbraw/zinc/84/30/38/521843038.db2.gz BLMASOPWZSJFKW-CYBMUJFWSA-N 0 3 358.402 1.637 20 5 FDBDHN Cn1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057554827 522110632 /nfs/dbraw/zinc/11/06/32/522110632.db2.gz PQAXNEMIUSZMER-ZDUSSCGKSA-N 0 3 355.398 1.962 20 5 FDBDHN C[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057721010 522145218 /nfs/dbraw/zinc/14/52/18/522145218.db2.gz ILGVQDHAZRKWNF-SNVBAGLBSA-N 0 3 366.443 1.385 20 5 FDBDHN COCCN(C)CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000063802661 522652439 /nfs/dbraw/zinc/65/24/39/522652439.db2.gz RRMLMMZLZMBQJC-UHFFFAOYSA-N 0 3 352.435 1.871 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000074137512 522690228 /nfs/dbraw/zinc/69/02/28/522690228.db2.gz ZLSMYWZCXXWNPX-UHFFFAOYSA-N 0 3 367.425 1.464 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000052877237 523297319 /nfs/dbraw/zinc/29/73/19/523297319.db2.gz SNYQISDGJRZWGO-UHFFFAOYSA-N 0 3 372.429 1.568 20 5 FDBDHN CCOc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000078828939 523656606 /nfs/dbraw/zinc/65/66/06/523656606.db2.gz VUVGOWULAIZNIH-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000121301962 524214549 /nfs/dbraw/zinc/21/45/49/524214549.db2.gz WLWMOJTXNYOILC-VIFPVBQESA-N 0 3 368.333 1.885 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000121337025 524224458 /nfs/dbraw/zinc/22/44/58/524224458.db2.gz KIHUSXMJCFJXRK-UHFFFAOYSA-N 0 3 362.430 1.950 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000083026658 524231825 /nfs/dbraw/zinc/23/18/25/524231825.db2.gz UOXYFCPMKXMTMU-KBPBESRZSA-N 0 3 367.450 1.495 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000139974299 524300092 /nfs/dbraw/zinc/30/00/92/524300092.db2.gz YTFDWKORIDDMHW-GFCCVEGCSA-N 0 3 364.431 1.276 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000173246027 524354175 /nfs/dbraw/zinc/35/41/75/524354175.db2.gz QNYYUJHSBQOKIE-YPMHNXCESA-N 0 3 357.432 1.564 20 5 FDBDHN COCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000150898984 524500861 /nfs/dbraw/zinc/50/08/61/524500861.db2.gz LICALDHHVPWALZ-UHFFFAOYSA-N 0 3 374.235 1.594 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000089900140 524543741 /nfs/dbraw/zinc/54/37/41/524543741.db2.gz XWFUMPZCMRJNCL-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000122699986 524596644 /nfs/dbraw/zinc/59/66/44/524596644.db2.gz RHFFTWCKJXFMIQ-UHFFFAOYSA-N 0 3 374.401 1.690 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000174665334 524681359 /nfs/dbraw/zinc/68/13/59/524681359.db2.gz DTURJWFAJTXZKL-BLLLJJGKSA-N 0 3 357.374 1.084 20 5 FDBDHN Cc1cccc(N2CCN(CCCNC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)c1 ZINC000159904055 524764400 /nfs/dbraw/zinc/76/44/00/524764400.db2.gz QWKMIPPAELCLRC-UHFFFAOYSA-N 0 3 372.429 1.568 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000123688375 524808747 /nfs/dbraw/zinc/80/87/47/524808747.db2.gz CYNJLZCGNNPQCT-CHWSQXEVSA-N 0 3 350.419 1.917 20 5 FDBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000115438243 524993641 /nfs/dbraw/zinc/99/36/41/524993641.db2.gz WGNSFKAXGQWODH-AWEZNQCLSA-N 0 3 372.429 1.898 20 5 FDBDHN CC1CCN(C[C@H](O)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161686047 525152610 /nfs/dbraw/zinc/15/26/10/525152610.db2.gz SWNILZYDKSKCED-MRXNPFEDSA-N 0 3 371.459 1.107 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000162132827 525217984 /nfs/dbraw/zinc/21/79/84/525217984.db2.gz GXJVVKDRGUONPM-UHFFFAOYSA-N 0 3 372.429 1.006 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000125875723 525247644 /nfs/dbraw/zinc/24/76/44/525247644.db2.gz COANJCQKSKQZOA-UHFFFAOYSA-N 0 3 363.393 1.980 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000103150409 525333259 /nfs/dbraw/zinc/33/32/59/525333259.db2.gz GQSZSFUYQPSFAN-UHFFFAOYSA-N 0 3 362.430 1.214 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000153851977 525343509 /nfs/dbraw/zinc/34/35/09/525343509.db2.gz CGUMOUWWQGUPNP-UHFFFAOYSA-N 0 3 357.432 1.125 20 5 FDBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127193156 525392894 /nfs/dbraw/zinc/39/28/94/525392894.db2.gz BNJGNRGUOBYRHP-WMLDXEAASA-N 0 3 359.430 1.877 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000178804668 525483596 /nfs/dbraw/zinc/48/35/96/525483596.db2.gz ULYMSKCSPOVKJV-GFCCVEGCSA-N 0 3 374.401 1.169 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000154309764 525490553 /nfs/dbraw/zinc/49/05/53/525490553.db2.gz QIDSXUMDDSBOKK-INIZCTEOSA-N 0 3 362.474 1.917 20 5 FDBDHN Cc1nn(C)c(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000128686954 525571549 /nfs/dbraw/zinc/57/15/49/525571549.db2.gz QNBVKWWNXHLJSY-UHFFFAOYSA-N 0 3 357.414 1.815 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119404750 525733758 /nfs/dbraw/zinc/73/37/58/525733758.db2.gz XJOVLWRUHNGDID-GOEBONIOSA-N 0 3 361.402 1.338 20 5 FDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000130800730 525798638 /nfs/dbraw/zinc/79/86/38/525798638.db2.gz RWLUJMWVFFRPID-UHFFFAOYSA-N 0 3 358.402 1.712 20 5 FDBDHN CCO[C@@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000181613372 525879607 /nfs/dbraw/zinc/87/96/07/525879607.db2.gz IVPHFMPHFHGXHW-LSDHHAIUSA-N 0 3 371.459 1.666 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119958148 525919224 /nfs/dbraw/zinc/91/92/24/525919224.db2.gz PDGNBQLKBLIRGT-OAHLLOKOSA-N 0 3 372.429 1.850 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132081597 525934270 /nfs/dbraw/zinc/93/42/70/525934270.db2.gz VLKDVMCBCSXREE-HOCLYGCPSA-N 0 3 372.429 1.698 20 5 FDBDHN CNS(=O)(=O)c1cccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000181913632 525978520 /nfs/dbraw/zinc/97/85/20/525978520.db2.gz WYIPFLWBYFIOKC-NSHDSACASA-N 0 3 353.404 1.050 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000183407003 535975679 /nfs/dbraw/zinc/97/56/79/535975679.db2.gz RTVATHAEMWRWCG-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 ZINC000183487081 535991303 /nfs/dbraw/zinc/99/13/03/535991303.db2.gz UWIKDENGESLKFI-CQSZACIVSA-N 0 3 353.444 1.541 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000183671163 536026432 /nfs/dbraw/zinc/02/64/32/536026432.db2.gz VAIIPMFQZDWGKQ-HIFRSBDPSA-N 0 3 362.430 1.574 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000184375919 536141628 /nfs/dbraw/zinc/14/16/28/536141628.db2.gz JSJWINXONYJFRC-HNNXBMFYSA-N 0 3 363.462 1.539 20 5 FDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000185619020 536213701 /nfs/dbraw/zinc/21/37/01/536213701.db2.gz BXHFRYWURPHOCE-LBPRGKRZSA-N 0 3 364.427 1.858 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCN(C)C1CC1 ZINC000186771700 536243619 /nfs/dbraw/zinc/24/36/19/536243619.db2.gz PWYJOGWZADFETH-LBPRGKRZSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1cc(CCNC(=O)C[C@H]2CSCCN2)c([N+](=O)[O-])cc1OC ZINC000262793679 536902515 /nfs/dbraw/zinc/90/25/15/536902515.db2.gz NWERLLBFFMTPPE-LBPRGKRZSA-N 0 3 369.443 1.366 20 5 FDBDHN COc1cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000266651328 536912488 /nfs/dbraw/zinc/91/24/88/536912488.db2.gz YNMGAGRBKSDBSQ-CQSZACIVSA-N 0 3 350.375 1.301 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246412991 536948127 /nfs/dbraw/zinc/94/81/27/536948127.db2.gz CDJLEXJSQBUJCX-BPLDGKMQSA-N 0 3 350.375 1.333 20 5 FDBDHN Cc1c(C(=O)NC[C@@]2(N(C)C)CCSC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267111490 536956024 /nfs/dbraw/zinc/95/60/24/536956024.db2.gz NLYYJUJTNLDZHS-HNNXBMFYSA-N 0 3 368.415 1.979 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267311099 536968255 /nfs/dbraw/zinc/96/82/55/536968255.db2.gz LVIVMZUPXZBNTQ-INIZCTEOSA-N 0 3 366.443 1.395 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@H](C)O)CC1 ZINC000189305393 537024635 /nfs/dbraw/zinc/02/46/35/537024635.db2.gz GHDLIDYXMZBSOC-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C[C@H](C)O ZINC000246788985 537027106 /nfs/dbraw/zinc/02/71/06/537027106.db2.gz JDLATCDIVZWDBJ-RYUDHWBXSA-N 0 3 361.402 1.388 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247408418 537116389 /nfs/dbraw/zinc/11/63/89/537116389.db2.gz PZGKXWJKSFFADJ-DVOMOZLQSA-N 0 3 360.414 1.408 20 5 FDBDHN COc1ccccc1C[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247547717 537132141 /nfs/dbraw/zinc/13/21/41/537132141.db2.gz PQCZOBQRJSORPT-NVXWUHKLSA-N 0 3 360.414 1.868 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000191888367 537214190 /nfs/dbraw/zinc/21/41/90/537214190.db2.gz OPZCRVNFMWJKIM-OAHLLOKOSA-N 0 3 373.413 1.308 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000192516366 537225415 /nfs/dbraw/zinc/22/54/15/537225415.db2.gz BDXQLIDDRYTZNV-UHFFFAOYSA-N 0 3 372.429 1.100 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000249055273 537226060 /nfs/dbraw/zinc/22/60/60/537226060.db2.gz OQSQMWKUYCRHLW-PMPSAXMXSA-N 0 3 366.805 1.925 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363695724 537282544 /nfs/dbraw/zinc/28/25/44/537282544.db2.gz VFCKQOSOGBJNCB-SJORKVTESA-N 0 3 362.430 1.766 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298799644 537320206 /nfs/dbraw/zinc/32/02/06/537320206.db2.gz VNNPXNATKQZRJM-UHFFFAOYSA-N 0 3 367.377 1.739 20 5 FDBDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000363816698 537324891 /nfs/dbraw/zinc/32/48/91/537324891.db2.gz JFKMWILCZLSMKX-UHFFFAOYSA-N 0 3 350.419 1.678 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000272809319 537344295 /nfs/dbraw/zinc/34/42/95/537344295.db2.gz BQENCLWMCFOAEP-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285938486 537376013 /nfs/dbraw/zinc/37/60/13/537376013.db2.gz LZZDNSSHRUKKGA-OWCLPIDISA-N 0 3 365.430 1.130 20 5 FDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000270878896 537388566 /nfs/dbraw/zinc/38/85/66/537388566.db2.gz PCLBGALBFMDTRB-HUUCEWRRSA-N 0 3 373.413 1.239 20 5 FDBDHN C[C@@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO[C@H]1C1CC1 ZINC000273085408 537391974 /nfs/dbraw/zinc/39/19/74/537391974.db2.gz RNAFYGZBEQEVMF-DLBZAZTESA-N 0 3 363.370 1.809 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1N(C)C ZINC000271158637 537407489 /nfs/dbraw/zinc/40/74/89/537407489.db2.gz RJEYGDYBLYUXQP-ZIAGYGMSSA-N 0 3 357.407 1.617 20 5 FDBDHN COCCOC[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273338188 537432740 /nfs/dbraw/zinc/43/27/40/537432740.db2.gz NDQHEYVRBQYZLO-CABCVRRESA-N 0 3 354.403 1.319 20 5 FDBDHN O=C(CC[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000280953115 537482794 /nfs/dbraw/zinc/48/27/94/537482794.db2.gz IWGKNDCBOOXKBK-UHFFFAOYSA-N 0 3 360.374 1.214 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299244503 537505832 /nfs/dbraw/zinc/50/58/32/537505832.db2.gz KIPYSXCTFIEKSQ-JTQLQIEISA-N 0 3 354.794 1.739 20 5 FDBDHN O=[N+]([O-])c1c(F)cccc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000365447085 537518161 /nfs/dbraw/zinc/51/81/61/537518161.db2.gz AGWWLJHNSNWYBM-LBPRGKRZSA-N 0 3 357.407 1.479 20 5 FDBDHN CC[C@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N(C)C ZINC000274817825 537530475 /nfs/dbraw/zinc/53/04/75/537530475.db2.gz WXLAYOTUSJESLA-MRXNPFEDSA-N 0 3 374.445 1.850 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291714257 537665605 /nfs/dbraw/zinc/66/56/05/537665605.db2.gz ITHDYHYLBBWWDN-AZUAARDMSA-N 0 3 372.421 1.971 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291932009 537691828 /nfs/dbraw/zinc/69/18/28/537691828.db2.gz SWDVWTHXYVGVIG-OALUTQOASA-N 0 3 374.441 1.469 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292061981 537704387 /nfs/dbraw/zinc/70/43/87/537704387.db2.gz OVIWYZGQVXMVID-INIZCTEOSA-N 0 3 353.444 1.495 20 5 FDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN(C2CCC2)C1 ZINC000292353368 537729561 /nfs/dbraw/zinc/72/95/61/537729561.db2.gz QULFTDHFNSRBQK-GFCCVEGCSA-N 0 3 368.459 1.553 20 5 FDBDHN CCN1CCO[C@@H](CN2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000375794303 537770997 /nfs/dbraw/zinc/77/09/97/537770997.db2.gz KVSUDNLYUAFDNQ-LJQANCHMSA-N 0 3 362.474 1.476 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412075800 537944792 /nfs/dbraw/zinc/94/47/92/537944792.db2.gz MRLRVDPRJDVGOV-LBPRGKRZSA-N 0 3 367.427 1.761 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000372417499 537946037 /nfs/dbraw/zinc/94/60/37/537946037.db2.gz WRBADKGVZFPBRA-AWEZNQCLSA-N 0 3 359.434 1.101 20 5 FDBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000412379043 537977412 /nfs/dbraw/zinc/97/74/12/537977412.db2.gz VRBAWBJWLCYOSL-OAHLLOKOSA-N 0 3 365.430 1.959 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000450481617 538131019 /nfs/dbraw/zinc/13/10/19/538131019.db2.gz BIPJBZBZNQXPDL-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000440066635 538214073 /nfs/dbraw/zinc/21/40/73/538214073.db2.gz XPGHUAAZNSQUJP-CQSZACIVSA-N 0 3 364.402 1.388 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424413667 538292448 /nfs/dbraw/zinc/29/24/48/538292448.db2.gz DSBOGXKNTFGZKX-QWHCGFSZSA-N 0 3 360.374 1.296 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000420471037 538301785 /nfs/dbraw/zinc/30/17/85/538301785.db2.gz PCQYMPSXGAOPRP-JKSUJKDBSA-N 0 3 365.386 1.849 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000429096445 538333172 /nfs/dbraw/zinc/33/31/72/538333172.db2.gz DIORQPOKOSFVGM-UONOGXRCSA-N 0 3 360.418 1.643 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000434785031 538350473 /nfs/dbraw/zinc/35/04/73/538350473.db2.gz NFJKMEIGGDDLGD-CHWSQXEVSA-N 0 3 353.423 1.105 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCSC1 ZINC000421384902 538399409 /nfs/dbraw/zinc/39/94/09/538399409.db2.gz MREAJTNGQWBONE-GFCCVEGCSA-N 0 3 359.473 1.558 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000454105551 538513840 /nfs/dbraw/zinc/51/38/40/538513840.db2.gz QICNWVGOFIZFEN-CYBMUJFWSA-N 0 3 352.366 1.614 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000481796419 538567024 /nfs/dbraw/zinc/56/70/24/538567024.db2.gz QCDYIDYMMZXGHK-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000482990897 538660794 /nfs/dbraw/zinc/66/07/94/538660794.db2.gz WPKKYGJHXQUIDM-CABZTGNLSA-N 0 3 370.207 1.661 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000482990894 538661085 /nfs/dbraw/zinc/66/10/85/538661085.db2.gz WPKKYGJHXQUIDM-BXKDBHETSA-N 0 3 370.207 1.661 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000472626159 538675570 /nfs/dbraw/zinc/67/55/70/538675570.db2.gz XEYLNTYFAXIIJM-AWEZNQCLSA-N 0 3 364.377 1.759 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628344 538677645 /nfs/dbraw/zinc/67/76/45/538677645.db2.gz IEOABTBJIIBPIM-UHFFFAOYSA-N 0 3 352.366 1.473 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000487959158 538693951 /nfs/dbraw/zinc/69/39/51/538693951.db2.gz BDTMJPDNVPCAOG-HNNXBMFYSA-N 0 3 350.419 1.814 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905576 538851653 /nfs/dbraw/zinc/85/16/53/538851653.db2.gz KMZNJJSVOPSRSZ-UKRRQHHQSA-N 0 3 364.446 1.984 20 5 FDBDHN COc1ccc(CNC(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000476155679 538858624 /nfs/dbraw/zinc/85/86/24/538858624.db2.gz NHKHDQQUWMNTAJ-UHFFFAOYSA-N 0 3 366.418 1.107 20 5 FDBDHN CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000561693019 545929866 /nfs/dbraw/zinc/92/98/66/545929866.db2.gz XFPCARPFJUUAEX-AWEZNQCLSA-N 0 3 360.418 1.891 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(N3CCCCC3)C2)cc1 ZINC000563003949 546350712 /nfs/dbraw/zinc/35/07/12/546350712.db2.gz YRKPSKJERVGNAR-UHFFFAOYSA-N 0 3 367.471 1.975 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000563137215 546419751 /nfs/dbraw/zinc/41/97/51/546419751.db2.gz BNFAHAVXMGTGNK-IRXDYDNUSA-N 0 3 364.373 1.667 20 5 FDBDHN N[C@H]1C[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433168 546533721 /nfs/dbraw/zinc/53/37/21/546533721.db2.gz QYYJXEIEYKLYNJ-HOCLYGCPSA-N 0 3 356.382 1.599 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000564476527 546926747 /nfs/dbraw/zinc/92/67/47/546926747.db2.gz LPQSREDLJXSUIW-NSHDSACASA-N 0 3 352.391 1.387 20 5 FDBDHN COc1cc2c(cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)O[C@H](C)C2 ZINC000564852517 547068520 /nfs/dbraw/zinc/06/85/20/547068520.db2.gz MOMCIKDEFSAUSQ-ABAIWWIYSA-N 0 3 362.386 1.274 20 5 FDBDHN CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000564987977 547146732 /nfs/dbraw/zinc/14/67/32/547146732.db2.gz JJTJTUGVSFDEKA-LLVKDONJSA-N 0 3 358.851 1.442 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566489248 547778993 /nfs/dbraw/zinc/77/89/93/547778993.db2.gz JRTQWEPVOIJFHA-GXSJLCMTSA-N 0 3 358.320 1.670 20 5 FDBDHN C[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566585490 547816818 /nfs/dbraw/zinc/81/68/18/547816818.db2.gz RPMLCMZXUANAMB-XJKSGUPXSA-N 0 3 370.475 1.906 20 5 FDBDHN Cc1nccn1-c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000567566144 548162286 /nfs/dbraw/zinc/16/22/86/548162286.db2.gz GGGXKAYQMXSTEJ-HNNXBMFYSA-N 0 3 374.376 1.575 20 5 FDBDHN COc1cc(CCNC(=O)C(N)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000568756460 548668270 /nfs/dbraw/zinc/66/82/70/548668270.db2.gz RRFPJACEFMFHID-NSHDSACASA-N 0 3 351.281 1.160 20 5 FDBDHN Cc1ccc(OC(F)F)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000570955637 549474946 /nfs/dbraw/zinc/47/49/46/549474946.db2.gz FJLVKUYLICLOQV-CYBMUJFWSA-N 0 3 356.329 1.852 20 5 FDBDHN COCCN1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571790180 549763655 /nfs/dbraw/zinc/76/36/55/549763655.db2.gz BPBNQKLOZQGOON-OAHLLOKOSA-N 0 3 371.459 1.069 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000573816079 550216344 /nfs/dbraw/zinc/21/63/44/550216344.db2.gz ZXDHVCWSAREEJQ-BEFAXECRSA-N 0 3 361.442 1.736 20 5 FDBDHN CS(=O)(=O)CC1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000575982155 550498051 /nfs/dbraw/zinc/49/80/51/550498051.db2.gz IJGNQWQWHVYZQJ-ZDUSSCGKSA-N 0 3 372.443 1.139 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCNC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000576755000 550582365 /nfs/dbraw/zinc/58/23/65/550582365.db2.gz ALXFZLIWMJWNTR-ZDUSSCGKSA-N 0 3 358.345 1.471 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000580728966 551012763 /nfs/dbraw/zinc/01/27/63/551012763.db2.gz IMEMFWVLTADZGU-YVEFUNNKSA-N 0 3 352.387 1.787 20 5 FDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000581067066 551048360 /nfs/dbraw/zinc/04/83/60/551048360.db2.gz UCRYPYBJXAOSPL-YCPHGPKFSA-N 0 3 365.430 1.714 20 5 FDBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)OC(C)(C)C ZINC000581486539 551094456 /nfs/dbraw/zinc/09/44/56/551094456.db2.gz RAOCXTGLKBTIBJ-BPLDGKMQSA-N 0 3 368.434 1.452 20 5 FDBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000583167106 551313334 /nfs/dbraw/zinc/31/33/34/551313334.db2.gz NQKSYKULQAHOSG-UHFFFAOYSA-N 0 3 371.459 1.069 20 5 FDBDHN O=C([C@@H]1CNCc2ccccc21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583379323 551342684 /nfs/dbraw/zinc/34/26/84/551342684.db2.gz PYDPYKHJXMCKSF-WMLDXEAASA-N 0 3 367.409 1.890 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H](N4CCCCC4)C3)cc2n(C)c1=O ZINC000587973496 551636835 /nfs/dbraw/zinc/63/68/35/551636835.db2.gz YOKRRUHQZLBXJK-CYBMUJFWSA-N 0 3 359.430 1.850 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000588823484 551690944 /nfs/dbraw/zinc/69/09/44/551690944.db2.gz GWOLMCXXGPHERL-CYBMUJFWSA-N 0 3 350.423 1.038 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1C ZINC000590337691 551774867 /nfs/dbraw/zinc/77/48/67/551774867.db2.gz MRLWFARTGXRPLH-KRWDZBQOSA-N 0 3 351.403 1.441 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000590549693 551790842 /nfs/dbraw/zinc/79/08/42/551790842.db2.gz NTLYLDFBNBQPLH-LSDHHAIUSA-N 0 3 363.414 1.340 20 5 FDBDHN CC1(C)CNCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000591678398 551896073 /nfs/dbraw/zinc/89/60/73/551896073.db2.gz SSRWIXNFNKAQHC-UHFFFAOYSA-N 0 3 362.386 1.493 20 5 FDBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592196231 551956716 /nfs/dbraw/zinc/95/67/16/551956716.db2.gz MAGBOYMPCIIGSE-JSGCOSHPSA-N 0 3 365.386 1.088 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000592368142 551985256 /nfs/dbraw/zinc/98/52/56/551985256.db2.gz VZJQWCQQSGODCH-VIFPVBQESA-N 0 3 367.349 1.892 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(CO)cc2)cc1 ZINC000592430204 551994383 /nfs/dbraw/zinc/99/43/83/551994383.db2.gz IDIJPYKSGCGHDV-UHFFFAOYSA-N 0 3 364.423 1.693 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000593069772 552058164 /nfs/dbraw/zinc/05/81/64/552058164.db2.gz UNRGUEHEQIUKRP-RBUKOAKNSA-N 0 3 371.441 1.767 20 5 FDBDHN C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000593389077 552100453 /nfs/dbraw/zinc/10/04/53/552100453.db2.gz NQMDSGLHZDRYEQ-ZDUSSCGKSA-N 0 3 363.418 1.071 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000593529445 552123832 /nfs/dbraw/zinc/12/38/32/552123832.db2.gz DTGNJZMPYFIUKE-OAHLLOKOSA-N 0 3 351.378 1.646 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)nc1 ZINC000593541727 552127869 /nfs/dbraw/zinc/12/78/69/552127869.db2.gz ALWSIOULHMSBPX-AWEZNQCLSA-N 0 3 354.432 1.629 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594246173 552270335 /nfs/dbraw/zinc/27/03/35/552270335.db2.gz NDXQFXPPWKAPDB-OCCSQVGLSA-N 0 3 355.398 2.137 20 5 FDBDHN Nc1nccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000594329950 552290029 /nfs/dbraw/zinc/29/00/29/552290029.db2.gz AOKIMFVOYRWTLU-UHFFFAOYSA-N 0 3 371.397 1.781 20 5 FDBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594392635 552302084 /nfs/dbraw/zinc/30/20/84/552302084.db2.gz JHHJAMUNJZDIRV-QWHCGFSZSA-N 0 3 369.805 1.295 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594418400 552306793 /nfs/dbraw/zinc/30/67/93/552306793.db2.gz IMRSKAHCURTKOZ-HOTGVXAUSA-N 0 3 360.414 1.458 20 5 FDBDHN CN[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000594424605 552308236 /nfs/dbraw/zinc/30/82/36/552308236.db2.gz BSCPWBMOSFBVLN-JTQLQIEISA-N 0 3 360.336 1.870 20 5 FDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594711940 552361168 /nfs/dbraw/zinc/36/11/68/552361168.db2.gz SECLKZKKTIKZKM-LRDDRELGSA-N 0 3 351.403 1.953 20 5 FDBDHN COC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000594711474 552361281 /nfs/dbraw/zinc/36/12/81/552361281.db2.gz OWKSIEKDCUUUQH-IAGOWNOFSA-N 0 3 363.414 1.731 20 5 FDBDHN Cc1sc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821949 552398866 /nfs/dbraw/zinc/39/88/66/552398866.db2.gz RAMDMBWTNFBQGT-UHFFFAOYSA-N 0 3 364.493 1.127 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595088358 552448398 /nfs/dbraw/zinc/44/83/98/552448398.db2.gz BDPCULNNIYYGSD-GFCCVEGCSA-N 0 3 364.402 1.531 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595104364 552451519 /nfs/dbraw/zinc/45/15/19/552451519.db2.gz PLZCPLRVOYMLMU-OLZOCXBDSA-N 0 3 356.448 1.832 20 5 FDBDHN N[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[C@H]1F ZINC000595260521 552506945 /nfs/dbraw/zinc/50/69/45/552506945.db2.gz ASGGPDKRGFXXOV-VXGBXAGGSA-N 0 3 366.349 1.181 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000595262024 552507377 /nfs/dbraw/zinc/50/73/77/552507377.db2.gz GQBWKKRIURFZBT-UHFFFAOYSA-N 0 3 374.401 1.371 20 5 FDBDHN CC(C)(NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000595275033 552510030 /nfs/dbraw/zinc/51/00/30/552510030.db2.gz DZNTXCAEPKUJTF-UHFFFAOYSA-N 0 3 360.374 1.284 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000595739384 552609186 /nfs/dbraw/zinc/60/91/86/552609186.db2.gz TXSHQKCDGJDTDV-JJXSEGSLSA-N 0 3 366.418 1.206 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000595737047 552609304 /nfs/dbraw/zinc/60/93/04/552609304.db2.gz PRVOQGSYKHUYBF-ZDUSSCGKSA-N 0 3 353.375 1.279 20 5 FDBDHN CC(C)(C)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595989230 552641489 /nfs/dbraw/zinc/64/14/89/552641489.db2.gz JDYDRZSGFNJRQF-UHFFFAOYSA-N 0 3 359.386 1.777 20 5 FDBDHN CCOC(=O)Cc1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596085003 552653765 /nfs/dbraw/zinc/65/37/65/552653765.db2.gz FXYCFLHITGLGCR-UHFFFAOYSA-N 0 3 365.430 1.959 20 5 FDBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596216453 552665744 /nfs/dbraw/zinc/66/57/44/552665744.db2.gz JUPGDPFXEBZGKU-CQSZACIVSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597574883 552806890 /nfs/dbraw/zinc/80/68/90/552806890.db2.gz SXCPYQJGKZEETI-SJKOYZFVSA-N 0 3 353.394 1.753 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597574953 552807286 /nfs/dbraw/zinc/80/72/86/552807286.db2.gz UTMFWHWSGQQJIL-GOSISDBHSA-N 0 3 363.414 1.473 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597857384 552841266 /nfs/dbraw/zinc/84/12/66/552841266.db2.gz GEMWIBVBDOVWJZ-AWEZNQCLSA-N 0 3 362.430 1.622 20 5 FDBDHN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(CC)C1 ZINC000598043887 552860023 /nfs/dbraw/zinc/86/00/23/552860023.db2.gz XGILXLJADXGTMT-LBPRGKRZSA-N 0 3 374.397 1.134 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598187106 552873888 /nfs/dbraw/zinc/87/38/88/552873888.db2.gz PMIJRTYLZXGBTC-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000598193494 552874780 /nfs/dbraw/zinc/87/47/80/552874780.db2.gz APFVAQLXLHSYEG-HNNXBMFYSA-N 0 3 357.414 1.717 20 5 FDBDHN CCCN1CC[C@H](NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598341434 552887159 /nfs/dbraw/zinc/88/71/59/552887159.db2.gz BKAWZAFTIFRLMM-QWHCGFSZSA-N 0 3 352.439 1.428 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000598854498 552937543 /nfs/dbraw/zinc/93/75/43/552937543.db2.gz NBJIVNJJCJSQKP-GFCCVEGCSA-N 0 3 362.386 1.492 20 5 FDBDHN CCNc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598868387 552938546 /nfs/dbraw/zinc/93/85/46/552938546.db2.gz SPYNHZBPVZFNBO-UHFFFAOYSA-N 0 3 365.434 1.119 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897300 552940915 /nfs/dbraw/zinc/94/09/15/552940915.db2.gz CFHWEGDBCQMPDJ-WFASDCNBSA-N 0 3 363.418 1.515 20 5 FDBDHN CN1C2(CCC2)COC[C@@]1(CO)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990332 552954817 /nfs/dbraw/zinc/95/48/17/552954817.db2.gz KZAFMGGDYLUAGA-OCTSTCLRSA-N 0 3 361.442 1.813 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)CCN1 ZINC000599087547 552965912 /nfs/dbraw/zinc/96/59/12/552965912.db2.gz KAFGZRDZLPODCZ-OAHLLOKOSA-N 0 3 369.425 1.934 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000599504714 553075862 /nfs/dbraw/zinc/07/58/62/553075862.db2.gz FBPCEHBNIKIHJU-OAHLLOKOSA-N 0 3 364.377 1.835 20 5 FDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829239 553157203 /nfs/dbraw/zinc/15/72/03/553157203.db2.gz DDMQKDWRWJZCCV-LBPRGKRZSA-N 0 3 359.386 1.985 20 5 FDBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600472072 553273308 /nfs/dbraw/zinc/27/33/08/553273308.db2.gz MLDRAARJCAGWCP-OAHLLOKOSA-N 0 3 370.413 1.922 20 5 FDBDHN Cn1c(=O)oc2ccc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc21 ZINC000600754187 553311467 /nfs/dbraw/zinc/31/14/67/553311467.db2.gz FEMWFVHYNZTLNC-CQSZACIVSA-N 0 3 373.365 1.569 20 5 FDBDHN CCN1CCN(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103885 553347850 /nfs/dbraw/zinc/34/78/50/553347850.db2.gz KZEVNUWEXBBJIL-UHFFFAOYSA-N 0 3 350.345 1.397 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000601159958 553354150 /nfs/dbraw/zinc/35/41/50/553354150.db2.gz OMYDFULDQPFKBN-UHFFFAOYSA-N 0 3 364.372 1.785 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601165782 553355334 /nfs/dbraw/zinc/35/53/34/553355334.db2.gz GZSPXCKJQCPTMF-UHFFFAOYSA-N 0 3 366.393 1.264 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601419305 553400767 /nfs/dbraw/zinc/40/07/67/553400767.db2.gz JBHANQLENXHDRB-HNNXBMFYSA-N 0 3 357.407 1.759 20 5 FDBDHN O=C(N1CC[C@@H](N2CC[C@H](O)C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601588751 553441210 /nfs/dbraw/zinc/44/12/10/553441210.db2.gz PMQVAXMVHXKGAW-SJORKVTESA-N 0 3 359.426 1.684 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602457065 553585722 /nfs/dbraw/zinc/58/57/22/553585722.db2.gz DTQIWGGKUTXLIO-MRXNPFEDSA-N 0 3 354.410 1.943 20 5 FDBDHN CN(C(=O)Cn1cc(CCN2CCCCC2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000603190445 553727285 /nfs/dbraw/zinc/72/72/85/553727285.db2.gz NHHPHAVAPRHGAU-UHFFFAOYSA-N 0 3 372.429 1.878 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000603378968 553775921 /nfs/dbraw/zinc/77/59/21/553775921.db2.gz JHVVNSPYSGDJHD-UHFFFAOYSA-N 0 3 367.471 1.885 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000603384770 553776580 /nfs/dbraw/zinc/77/65/80/553776580.db2.gz SPTAADMKEIQWLY-UHFFFAOYSA-N 0 3 353.444 1.842 20 5 FDBDHN COC1CCN(C2(CNC(=O)c3[nH]nc(C)c3[N+](=O)[O-])CCCC2)CC1 ZINC000609347147 554370263 /nfs/dbraw/zinc/37/02/63/554370263.db2.gz XTFJVBUKCIATQV-UHFFFAOYSA-N 0 3 365.434 1.780 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)C1 ZINC000609665163 554408890 /nfs/dbraw/zinc/40/88/90/554408890.db2.gz BAJYVRPNCMZDRP-HNNXBMFYSA-N 0 3 371.441 1.928 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609833477 554426499 /nfs/dbraw/zinc/42/64/99/554426499.db2.gz LJXIKNQYIPTAEA-AWEZNQCLSA-N 0 3 358.402 1.780 20 5 FDBDHN COCCN(Cc1ccc(C)cc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368265 554496231 /nfs/dbraw/zinc/49/62/31/554496231.db2.gz UZTDOBVTMBHXLW-GOSISDBHSA-N 0 3 362.430 1.918 20 5 FDBDHN COc1ccc(CC(=O)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000610571577 554531835 /nfs/dbraw/zinc/53/18/35/554531835.db2.gz AVWAQSWABSTNHC-UHFFFAOYSA-N 0 3 351.403 1.373 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610654089 554544765 /nfs/dbraw/zinc/54/47/65/554544765.db2.gz UIUINWPIUJYKGR-WCQYABFASA-N 0 3 361.398 1.650 20 5 FDBDHN C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(C)(C)O ZINC000615141159 555166127 /nfs/dbraw/zinc/16/61/27/555166127.db2.gz CEHDFXRZCYVLMQ-ZDUSSCGKSA-N 0 3 365.430 1.643 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618816480 555681398 /nfs/dbraw/zinc/68/13/98/555681398.db2.gz UNOFJJWJRXTLMC-AWEZNQCLSA-N 0 3 362.434 1.622 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000619486067 555785901 /nfs/dbraw/zinc/78/59/01/555785901.db2.gz KIVUUMGDKVLFDC-CYBMUJFWSA-N 0 3 369.443 1.710 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619836577 555842613 /nfs/dbraw/zinc/84/26/13/555842613.db2.gz GSKREDSCNDWFGW-KRWDZBQOSA-N 0 3 359.386 1.027 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369797 598239200 /nfs/dbraw/zinc/23/92/00/598239200.db2.gz OWCZPRHLTCMTTH-CYBMUJFWSA-N 0 3 374.405 1.225 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369797 598239202 /nfs/dbraw/zinc/23/92/02/598239202.db2.gz OWCZPRHLTCMTTH-CYBMUJFWSA-N 0 3 374.405 1.225 20 5 FDBDHN C[NH+](C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000821581879 607162518 /nfs/dbraw/zinc/16/25/18/607162518.db2.gz XHRUAYLJTGLRPM-SNVBAGLBSA-N 0 3 360.403 1.946 20 5 FDBDHN CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000825212228 607840995 /nfs/dbraw/zinc/84/09/95/607840995.db2.gz QNMURMZIRIOFDV-NEPJUHHUSA-N 0 3 361.406 1.056 20 5 FDBDHN CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000825212228 607840996 /nfs/dbraw/zinc/84/09/96/607840996.db2.gz QNMURMZIRIOFDV-NEPJUHHUSA-N 0 3 361.406 1.056 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](OC)[C@@H](OC)C1 ZINC000276849374 674781698 /nfs/dbraw/zinc/78/16/98/674781698.db2.gz IPCKNTSGXAOYBY-GASCZTMLSA-N 0 3 353.375 1.278 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)n1 ZINC000286767843 675905382 /nfs/dbraw/zinc/90/53/82/675905382.db2.gz HZJUPFZSRGDVRM-KGLIPLIRSA-N 0 3 366.443 1.792 20 5 FDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193342235 672367042 /nfs/dbraw/zinc/36/70/42/672367042.db2.gz GFPRECPFVWCICX-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN COC(=O)CC[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000288874353 676066612 /nfs/dbraw/zinc/06/66/12/676066612.db2.gz YWDWKPSIZFCQIC-GFCCVEGCSA-N 0 3 352.391 1.102 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000288891472 676069019 /nfs/dbraw/zinc/06/90/19/676069019.db2.gz NEGHZDMQUMVPDR-UHFFFAOYSA-N 0 3 352.439 1.110 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267264867 673279121 /nfs/dbraw/zinc/27/91/21/673279121.db2.gz DGROJPSVMRMYAV-INIZCTEOSA-N 0 3 366.443 1.395 20 5 FDBDHN CN(C)C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000267471757 673307340 /nfs/dbraw/zinc/30/73/40/673307340.db2.gz OTCWEBPGXHRVSQ-NSHDSACASA-N 0 3 372.219 1.760 20 5 FDBDHN COc1ccc(OCCN(C)[C@H](C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000279688815 675332086 /nfs/dbraw/zinc/33/20/86/675332086.db2.gz HKAAQTRJJWSECF-CQSZACIVSA-N 0 3 353.419 1.635 20 5 FDBDHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279882459 675358971 /nfs/dbraw/zinc/35/89/71/675358971.db2.gz HJOUHZRONYBFCY-VIFPVBQESA-N 0 3 357.388 1.381 20 5 FDBDHN CN(C)CC1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000281120843 675492293 /nfs/dbraw/zinc/49/22/93/675492293.db2.gz CPXRKWIVCHZSOJ-UHFFFAOYSA-N 0 3 371.415 1.129 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363206016 676941202 /nfs/dbraw/zinc/94/12/02/676941202.db2.gz AEFKSGAUAOKXGR-SMDDNHRTSA-N 0 3 350.331 1.096 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000365769612 677380206 /nfs/dbraw/zinc/38/02/06/677380206.db2.gz NQKGSKPEWSGNGN-NSHDSACASA-N 0 3 373.812 1.845 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000366676564 677459414 /nfs/dbraw/zinc/45/94/14/677459414.db2.gz KAQBYNQCTISWMY-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000423702745 680810440 /nfs/dbraw/zinc/81/04/40/680810440.db2.gz ATWMDLUNXKXXIP-LLVKDONJSA-N 0 3 350.375 1.003 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CNCCO1 ZINC000423992646 680824790 /nfs/dbraw/zinc/82/47/90/680824790.db2.gz PBZAXWMSWRHXEK-LLVKDONJSA-N 0 3 358.192 1.004 20 5 FDBDHN O=C(CN[C@@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412000016 679140571 /nfs/dbraw/zinc/14/05/71/679140571.db2.gz YGAKDISIGFWZEA-GWCFXTLKSA-N 0 3 357.794 1.564 20 5 FDBDHN CC(C)(CN1CCOCC1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000412002604 679141319 /nfs/dbraw/zinc/14/13/19/679141319.db2.gz MARLEMHUQDCRDL-UHFFFAOYSA-N 0 3 351.403 1.662 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1F ZINC000412208556 679164580 /nfs/dbraw/zinc/16/45/80/679164580.db2.gz AXLRGQLFHFVLQZ-TZMCWYRMSA-N 0 3 371.434 1.789 20 5 FDBDHN C[C@H](C(=O)N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413820440 679300607 /nfs/dbraw/zinc/30/06/07/679300607.db2.gz QRVQGSSAGQHOQI-STQMWFEESA-N 0 3 353.394 1.800 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429782720 681047822 /nfs/dbraw/zinc/04/78/22/681047822.db2.gz GXVGWPXSZFUOQG-CMPLNLGQSA-N 0 3 354.794 1.691 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451440952 682880780 /nfs/dbraw/zinc/88/07/80/682880780.db2.gz XTXPJHWOIIFGBN-OAHLLOKOSA-N 0 3 359.329 1.634 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455171364 683406625 /nfs/dbraw/zinc/40/66/25/683406625.db2.gz QCCCQPIBQMXWNM-ZDUSSCGKSA-N 0 3 352.391 1.572 20 5 FDBDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000458624396 684294602 /nfs/dbraw/zinc/29/46/02/684294602.db2.gz RTUSDXQLCUVRFV-KGLIPLIRSA-N 0 3 350.419 1.802 20 5 FDBDHN Cc1c(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000458703730 684307668 /nfs/dbraw/zinc/30/76/68/684307668.db2.gz ZXZQNQXWFABRSV-OAHLLOKOSA-N 0 3 350.419 1.549 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000487446513 686984808 /nfs/dbraw/zinc/98/48/08/686984808.db2.gz WNIKWXYJJUDMRD-LLVKDONJSA-N 0 3 357.357 1.331 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000498503139 687798895 /nfs/dbraw/zinc/79/88/95/687798895.db2.gz AUMRTFKJQDKQKV-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000523659595 694537304 /nfs/dbraw/zinc/53/73/04/694537304.db2.gz JOBKEDIKQQUTKA-VXGBXAGGSA-N 0 3 350.375 1.003 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000430226155 770149478 /nfs/dbraw/zinc/14/94/78/770149478.db2.gz MIOYWSTUBINWGC-UHFFFAOYSA-N 0 3 362.430 1.343 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177123060 772628980 /nfs/dbraw/zinc/62/89/80/772628980.db2.gz JKNMINWGKUSVRA-WDEREUQCSA-N 0 3 356.382 1.791 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000365116469 785285186 /nfs/dbraw/zinc/28/51/86/785285186.db2.gz ISZYCGGNYHCZQS-OAHLLOKOSA-N 0 3 361.446 1.398 20 5 FDBDHN O=C(NCCN1CCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431729176 786646141 /nfs/dbraw/zinc/64/61/41/786646141.db2.gz BRBQPUSCNZTWBZ-UHFFFAOYSA-N 0 3 374.397 1.464 20 5 FDBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000376307383 787221433 /nfs/dbraw/zinc/22/14/33/787221433.db2.gz OTHBLOVUZYHUKX-KBPBESRZSA-N 0 3 365.405 1.991 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000415717342 792866855 /nfs/dbraw/zinc/86/68/55/792866855.db2.gz YCEMBYYWANIMCR-QGZVFWFLSA-N 0 3 368.393 1.845 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893264459 794499209 /nfs/dbraw/zinc/49/92/09/794499209.db2.gz DVJONGUEYSCLJF-SJORKVTESA-N 0 3 362.430 1.378 20 5 FDBDHN Cc1ccc(NCCCNC(=O)N2CCOC3(CNC3)C2)c([N+](=O)[O-])c1 ZINC000417711056 795366967 /nfs/dbraw/zinc/36/69/67/795366967.db2.gz CWRBOHUBWWJWMI-UHFFFAOYSA-N 0 3 363.418 1.089 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000419266789 810279753 /nfs/dbraw/zinc/27/97/53/810279753.db2.gz HPOKRHNXLSIOLF-XJKSGUPXSA-N 0 3 370.409 1.897 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000425047924 815508205 /nfs/dbraw/zinc/50/82/05/815508205.db2.gz ANFYTOSZGFVBBY-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccnn2CCN(C)C)c1F ZINC000413818200 814189807 /nfs/dbraw/zinc/18/98/07/814189807.db2.gz NTEMIJBRTJLPAY-UHFFFAOYSA-N 0 3 365.365 1.682 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000502835937 814287136 /nfs/dbraw/zinc/28/71/36/814287136.db2.gz KBZBHLONMMQLSW-RAIGVLPGSA-N 0 3 364.402 1.435 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000422373673 814813049 /nfs/dbraw/zinc/81/30/49/814813049.db2.gz GHDZGCQEKIAPAX-HNNXBMFYSA-N 0 3 362.430 1.461 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425501581 816390423 /nfs/dbraw/zinc/39/04/23/816390423.db2.gz OQHICSZCVSDHDN-AWEZNQCLSA-N 0 3 374.401 1.861 20 5 FDBDHN CN(C(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000516175086 816680220 /nfs/dbraw/zinc/68/02/20/816680220.db2.gz DBIJDHBQZGONJU-OAHLLOKOSA-N 0 3 365.430 1.715 20 5 FDBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)CCN2C1=O ZINC000518397370 817858780 /nfs/dbraw/zinc/85/87/80/817858780.db2.gz GMZYXCSNSSDJGU-KSSFIOAISA-N 0 3 360.417 1.772 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000895065129 819839342 /nfs/dbraw/zinc/83/93/42/819839342.db2.gz DGRVWBYUULENCW-JQFCIGGWSA-N 0 3 362.430 1.896 20 5 FDBDHN Cc1cc(OCC(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281113004 825889849 /nfs/dbraw/zinc/88/98/49/825889849.db2.gz NKIGYLPBHILAIF-HNNXBMFYSA-N 0 3 364.446 1.424 20 5 FDBDHN COC(=O)Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897220669 827183089 /nfs/dbraw/zinc/18/30/89/827183089.db2.gz XPUDXJZWAGVVDS-GJZGRUSLSA-N 0 3 363.414 1.346 20 5 FDBDHN CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221560 827185993 /nfs/dbraw/zinc/18/59/93/827185993.db2.gz NGDYAUJUYBLSPC-DLBZAZTESA-N 0 3 363.414 1.807 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450101648 829811781 /nfs/dbraw/zinc/81/17/81/829811781.db2.gz CWAVNEXUBYESLZ-IUODEOHRSA-N 0 3 355.398 1.993 20 5 FDBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451503329 830376270 /nfs/dbraw/zinc/37/62/70/830376270.db2.gz ILIFOIGVRAZPGI-JVZDSHEPSA-N 0 3 365.386 1.911 20 5 FDBDHN CNc1nc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000453148243 830876543 /nfs/dbraw/zinc/87/65/43/830876543.db2.gz JRXGSWHUXIXKMF-UWVGGRQHSA-N 0 3 357.374 1.937 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532322163 831135415 /nfs/dbraw/zinc/13/54/15/831135415.db2.gz KSIRXAJTPDYHQL-CJNGLKHVSA-N 0 3 374.445 1.304 20 5 FDBDHN Cc1nc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001029964423 831930265 /nfs/dbraw/zinc/93/02/65/831930265.db2.gz HSYQQAGSCDZLRV-GDBMZVCRSA-N 0 3 350.419 1.627 20 5 FDBDHN CCN1CCC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000454656529 835623520 /nfs/dbraw/zinc/62/35/20/835623520.db2.gz ZERVJQUQPFZEMP-CQSZACIVSA-N 0 3 362.434 1.306 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000476367176 841093298 /nfs/dbraw/zinc/09/32/98/841093298.db2.gz XTPQQNXQNIDGQV-UHFFFAOYSA-N 0 3 372.429 1.006 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913103327 861424979 /nfs/dbraw/zinc/42/49/79/861424979.db2.gz LBLDSLZVEHLEQE-RHSMWYFYSA-N 0 3 357.414 1.818 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000907550060 854349408 /nfs/dbraw/zinc/34/94/08/854349408.db2.gz ZAXHFJPVTVHUDV-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908202311 855186104 /nfs/dbraw/zinc/18/61/04/855186104.db2.gz NYTBCKSVQJICGK-CABCVRRESA-N 0 3 367.833 1.848 20 5 FDBDHN COc1cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000490004153 860232973 /nfs/dbraw/zinc/23/29/73/860232973.db2.gz LYKYRQMEGZVZNB-MRXNPFEDSA-N 0 3 362.430 1.342 20 5 FDBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H](N2CC=CC2)C1 ZINC000172933402 865845427 /nfs/dbraw/zinc/84/54/27/865845427.db2.gz GFPBGMJMYFPSAZ-KRWDZBQOSA-N 0 3 367.409 1.722 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272590912 877996918 /nfs/dbraw/zinc/99/69/18/877996918.db2.gz HUQVZYPJPPTQNV-MLGOLLRUSA-N 0 3 356.386 1.342 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCOCC1 ZINC000921680941 912548341 /nfs/dbraw/zinc/54/83/41/912548341.db2.gz OWSHRWVAPMGFIO-KRWDZBQOSA-N 0 3 362.430 1.690 20 5 FDBDHN COc1cc(CONC(=N)[C@H]2CN(C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064186 883618955 /nfs/dbraw/zinc/61/89/55/883618955.db2.gz LSRAZKOLFCVPRF-OAHLLOKOSA-N 0 3 370.381 1.850 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000918352368 884353955 /nfs/dbraw/zinc/35/39/55/884353955.db2.gz SSZRFWLUFCOUOF-HZPDHXFCSA-N 0 3 353.444 1.698 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2ccnc2[N+](=O)[O-])CC1 ZINC000918359779 884365686 /nfs/dbraw/zinc/36/56/86/884365686.db2.gz JDDHUDFYJCFRDQ-UHFFFAOYSA-N 0 3 357.414 1.834 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918360721 884369830 /nfs/dbraw/zinc/36/98/30/884369830.db2.gz UMMIXSMXISPYDZ-CALCHBBNSA-N 0 3 367.471 1.741 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766143317 885063240 /nfs/dbraw/zinc/06/32/40/885063240.db2.gz BKNUWOVXFHIDHK-INIZCTEOSA-N 0 3 366.849 1.987 20 5 FDBDHN CCn1ccc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001034815979 885143507 /nfs/dbraw/zinc/14/35/07/885143507.db2.gz HWXSLYZBXTYEPY-IAGOWNOFSA-N 0 3 357.414 1.474 20 5 FDBDHN COCCN1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000920811141 887251533 /nfs/dbraw/zinc/25/15/33/887251533.db2.gz UTRPKSXQYUNYFL-UHFFFAOYSA-N 0 3 361.402 1.172 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)[C@@H]2C1 ZINC000273125073 911102907 /nfs/dbraw/zinc/10/29/07/911102907.db2.gz QFECHNIDHOFYSP-CSMYWGQOSA-N 0 3 358.398 1.640 20 5 FDBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1CCCCC1 ZINC000727941665 912119479 /nfs/dbraw/zinc/11/94/79/912119479.db2.gz HDCIVIRHHGLTHB-UHFFFAOYSA-N 0 3 363.370 1.349 20 5 FDBDHN CCCc1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086082755 925917935 /nfs/dbraw/zinc/91/79/35/925917935.db2.gz CKRIBJDFRQXZSC-WRWGMCAJSA-N 0 3 353.448 1.140 20 5 FDBDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000743979871 926534714 /nfs/dbraw/zinc/53/47/14/926534714.db2.gz IILNFIQJDXYWBY-JTQLQIEISA-N 0 3 354.794 1.787 20 5 FDBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001170681615 941239566 /nfs/dbraw/zinc/23/95/66/941239566.db2.gz RBRUKHHJUYLOEU-JTQLQIEISA-N 0 3 352.354 1.961 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[N+](=O)[O-] ZINC000813101741 941325406 /nfs/dbraw/zinc/32/54/06/941325406.db2.gz IDLJTGKYRBYLSS-LSDHHAIUSA-N 0 3 364.398 1.903 20 5 FDBDHN CC(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813100151 941325633 /nfs/dbraw/zinc/32/56/33/941325633.db2.gz OBBLZDRVDMLAKF-GHMZBOCLSA-N 0 3 362.429 1.500 20 5 FDBDHN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106399 941333714 /nfs/dbraw/zinc/33/37/14/941333714.db2.gz CLHJEDIPDMUBCD-QWRGUYRKSA-N 0 3 359.404 1.188 20 5 FDBDHN CC(COC(=O)CCNC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813107787 941333927 /nfs/dbraw/zinc/33/39/27/941333927.db2.gz WDVFBRLAVVPPQU-SECBINFHSA-N 0 3 359.176 1.777 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)[N+](=O)[O-] ZINC000813109575 941334374 /nfs/dbraw/zinc/33/43/74/941334374.db2.gz MKBBAVDDHOMLLE-ZIAGYGMSSA-N 0 3 350.371 1.512 20 5 FDBDHN CC(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[N+](=O)[O-] ZINC000813114775 941336439 /nfs/dbraw/zinc/33/64/39/941336439.db2.gz GLKYGDXUXYXSEU-SNVBAGLBSA-N 0 3 360.363 1.432 20 5 FDBDHN CN1CCN(CC2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000820496429 944072511 /nfs/dbraw/zinc/07/25/11/944072511.db2.gz YQFUHVJMHPMIPW-MSOLQXFVSA-N 0 3 358.442 1.404 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235330 944906983 /nfs/dbraw/zinc/90/69/83/944906983.db2.gz CQPICNFIJDWSQA-NSHDSACASA-N 0 3 352.366 1.906 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000856412514 971131442 /nfs/dbraw/zinc/13/14/42/971131442.db2.gz PMBNISUNEWZUJQ-AWEZNQCLSA-N 0 3 362.430 1.892 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000856488732 971187061 /nfs/dbraw/zinc/18/70/61/971187061.db2.gz CKUVRWSJIHDOKV-AWEZNQCLSA-N 0 3 350.375 1.892 20 5 FDBDHN CN(C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000823980063 946137050 /nfs/dbraw/zinc/13/70/50/946137050.db2.gz VXTWGWLLVIHVPV-ZWKOTPCHSA-N 0 3 357.410 1.917 20 5 FDBDHN Cc1cc(F)cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000844036606 947637659 /nfs/dbraw/zinc/63/76/59/947637659.db2.gz QKRPNKWZZRDXOW-NSHDSACASA-N 0 3 352.366 1.234 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O ZINC000844755988 948365390 /nfs/dbraw/zinc/36/53/90/948365390.db2.gz ANAPFINHHJMQMI-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CC([C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878064 950051126 /nfs/dbraw/zinc/05/11/26/950051126.db2.gz TUSNRWKPTDQFEI-OTYXRUKQSA-N 0 3 352.278 1.880 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2OC)CC1 ZINC000795287969 1013271780 /nfs/dbraw/zinc/27/17/80/1013271780.db2.gz PAUAYAFRNPSURI-UHFFFAOYSA-N 0 3 371.397 1.685 20 5 FDBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCOC[C@@H](O)C3)CC2)c(F)c1 ZINC001173010297 961883439 /nfs/dbraw/zinc/88/34/39/961883439.db2.gz PZCWDHGSUGDNHL-ZDUSSCGKSA-N 0 3 357.357 1.535 20 5 FDBDHN NCc1ccn(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001173690832 962582109 /nfs/dbraw/zinc/58/21/09/962582109.db2.gz ACPRGVNSSYBPCB-UHFFFAOYSA-N 0 3 365.415 1.276 20 5 FDBDHN Cc1cc(CN2CCC3(CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)no1 ZINC000957547943 1013437802 /nfs/dbraw/zinc/43/78/02/1013437802.db2.gz VCNAFDKYRQIBKL-HZPDHXFCSA-N 0 3 362.430 1.853 20 5 FDBDHN Cn1c(=O)c([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)c2ccccc21 ZINC001186528684 964549916 /nfs/dbraw/zinc/54/99/16/964549916.db2.gz UDEXNFSBMCCGQU-ZDUSSCGKSA-N 0 3 360.414 1.705 20 5 FDBDHN Cc1cc(Cl)c(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000854644241 969049985 /nfs/dbraw/zinc/04/99/85/969049985.db2.gz KRTAWTWNXCNBIK-UHFFFAOYSA-N 0 3 366.849 1.876 20 5 FDBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001198354757 973051242 /nfs/dbraw/zinc/05/12/42/973051242.db2.gz QYJHOXMMRZRILK-CHWSQXEVSA-N 0 3 353.423 1.884 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794578570 973296224 /nfs/dbraw/zinc/29/62/24/973296224.db2.gz ZBIZZTBPSYSOLO-WDEREUQCSA-N 0 3 354.794 1.691 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864866041 973905142 /nfs/dbraw/zinc/90/51/42/973905142.db2.gz PLSZDKONRZYTJG-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN CC(C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)N1CCN(C)CC1 ZINC000865429393 974292477 /nfs/dbraw/zinc/29/24/77/974292477.db2.gz SYNBBJXEKKKBLQ-QGZVFWFLSA-N 0 3 354.426 1.910 20 5 FDBDHN CN(C)C1(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000848003023 976241134 /nfs/dbraw/zinc/24/11/34/976241134.db2.gz RBGWPPKSPPTSAT-UHFFFAOYSA-N 0 3 372.429 1.941 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000849328300 977429400 /nfs/dbraw/zinc/42/94/00/977429400.db2.gz CTEZZCIVTARKLV-HNNXBMFYSA-N 0 3 356.444 1.965 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849510671 977705596 /nfs/dbraw/zinc/70/55/96/977705596.db2.gz KUEYCXFUEPZCCN-IRXDYDNUSA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000849552548 977735648 /nfs/dbraw/zinc/73/56/48/977735648.db2.gz FWOIDPQJYWRBCM-IRXDYDNUSA-N 0 3 371.441 1.723 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000880348714 979123006 /nfs/dbraw/zinc/12/30/06/979123006.db2.gz IGZPYFQEKMXODD-SWLSCSKDSA-N 0 3 361.398 1.922 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857649143 981621419 /nfs/dbraw/zinc/62/14/19/981621419.db2.gz NRGDQOCSNFFLKR-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN COc1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc([N+](=O)[O-])c1C ZINC000885883394 985747292 /nfs/dbraw/zinc/74/72/92/985747292.db2.gz SIBRDYYMHNKDIC-OAHLLOKOSA-N 0 3 363.414 1.895 20 5 FDBDHN C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CCN(C)CC1 ZINC000365929236 988235467 /nfs/dbraw/zinc/23/54/67/988235467.db2.gz HOWXWTSEDUNUNU-CYBMUJFWSA-N 0 3 362.434 1.788 20 5 FDBDHN O=C(CCN1CCN([C@@H]2CCC[C@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363728728 989412247 /nfs/dbraw/zinc/41/22/47/989412247.db2.gz PACPYDXTUYITDF-IAGOWNOFSA-N 0 3 362.430 1.454 20 5 FDBDHN CC(C)C(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298549191 990153240 /nfs/dbraw/zinc/15/32/40/990153240.db2.gz FZUBQJQXFAMPRG-MRXNPFEDSA-N 0 3 365.430 1.571 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874835902 990559026 /nfs/dbraw/zinc/55/90/26/990559026.db2.gz BTHVRIHBVTZVDW-MELADBBJSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@]1(CO)CCc2ccccc21 ZINC000371746322 990682229 /nfs/dbraw/zinc/68/22/29/990682229.db2.gz IIPCEDQZWHVPQH-DNVCBOLYSA-N 0 3 358.394 1.758 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000825770996 991027658 /nfs/dbraw/zinc/02/76/58/991027658.db2.gz PCNKMVYDNOMXNM-JTQLQIEISA-N 0 3 369.219 1.966 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000876469999 992625325 /nfs/dbraw/zinc/62/53/25/992625325.db2.gz LYMKDCMOUBLOJU-MRXNPFEDSA-N 0 3 371.821 1.667 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000876473397 992638777 /nfs/dbraw/zinc/63/87/77/992638777.db2.gz UKKUDVPDLYAKAV-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238384 995422333 /nfs/dbraw/zinc/42/23/33/995422333.db2.gz WYSZZSPSTJWRHA-HUUCEWRRSA-N 0 3 363.462 1.981 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2Cc3ccccc3OC3(CCC3)C2)c1 ZINC000887150906 996967248 /nfs/dbraw/zinc/96/72/48/996967248.db2.gz CDRWBPAKCQZJBJ-INIZCTEOSA-N 0 3 358.398 1.970 20 5 FDBDHN O=C([N-]C[C@@H]1C[NH2+]CCC1(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000887403999 997239328 /nfs/dbraw/zinc/23/93/28/997239328.db2.gz QVXARVZHNHHSOW-VIFPVBQESA-N 0 3 365.283 1.927 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889741104 998563206 /nfs/dbraw/zinc/56/32/06/998563206.db2.gz AWKBPCLTBNHUKB-IAGOWNOFSA-N 0 3 365.405 1.724 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889749964 998588094 /nfs/dbraw/zinc/58/80/94/998588094.db2.gz NOVQPGGMLGUASD-LSDHHAIUSA-N 0 3 351.378 1.334 20 5 FDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889751959 998593927 /nfs/dbraw/zinc/59/39/27/998593927.db2.gz SUTQWANSQWQBII-MLHJIOFPSA-N 0 3 359.426 1.756 20 5 FDBDHN CN(CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889768456 998627518 /nfs/dbraw/zinc/62/75/18/998627518.db2.gz NOAHMCPNEQVICS-HZPDHXFCSA-N 0 3 362.430 1.089 20 5 FDBDHN C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246059 998941738 /nfs/dbraw/zinc/94/17/38/998941738.db2.gz RYLOUDBFZWRMLG-TZMCWYRMSA-N 0 3 351.403 1.973 20 5 FDBDHN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594246059 998941743 /nfs/dbraw/zinc/94/17/43/998941743.db2.gz RYLOUDBFZWRMLG-TZMCWYRMSA-N 0 3 351.403 1.973 20 5 FDBDHN CCOc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000273862512 999730188 /nfs/dbraw/zinc/73/01/88/999730188.db2.gz MOPAVKAWIVRAIC-HNNXBMFYSA-N 0 3 362.430 1.736 20 5 FDBDHN CN(CCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000285049777 999897817 /nfs/dbraw/zinc/89/78/17/999897817.db2.gz NQXQMHPNCVSJLU-UHFFFAOYSA-N 0 3 360.414 1.296 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288552274 1000026302 /nfs/dbraw/zinc/02/63/02/1000026302.db2.gz PMISEOASGBBFQI-ZDUSSCGKSA-N 0 3 358.398 1.720 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000935984751 1006208416 /nfs/dbraw/zinc/20/84/16/1006208416.db2.gz MNCCZWONBAKHSZ-LBPRGKRZSA-N 0 3 355.822 1.754 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192137413 178095783 /nfs/dbraw/zinc/09/57/83/178095783.db2.gz DKYMBYMKBAHQEP-VBNZEHGJSA-N 0 3 368.340 1.550 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000229403657 178273025 /nfs/dbraw/zinc/27/30/25/178273025.db2.gz SQVPERMYWOQSTG-UKRRQHHQSA-N 0 3 352.387 1.419 20 5 FDBDHN CC(C)(N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236781286 178282855 /nfs/dbraw/zinc/28/28/55/178282855.db2.gz GFJBWVYYJAGJOT-UHFFFAOYSA-N 0 3 360.336 2.000 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000509466377 538949830 /nfs/dbraw/zinc/94/98/30/538949830.db2.gz ANDWPQIUPVKZNR-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000518067618 539394664 /nfs/dbraw/zinc/39/46/64/539394664.db2.gz ZEZPCNLUDJYZEW-GFCCVEGCSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000263873649 178986940 /nfs/dbraw/zinc/98/69/40/178986940.db2.gz USPCQGLYXJVXMA-YOEHRIQHSA-N 0 3 374.441 1.800 20 5 FDBDHN CCOc1ccc(NC(=O)CNC2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000264698586 179172601 /nfs/dbraw/zinc/17/26/01/179172601.db2.gz JNIPJXVUWWLWAR-UHFFFAOYSA-N 0 3 353.375 1.063 20 5 FDBDHN O=[N+]([O-])c1ccc(OCCN(CCO)CCOCC(F)(F)F)cc1 ZINC000264870801 179226832 /nfs/dbraw/zinc/22/68/32/179226832.db2.gz PFGYXOXMBGNEDR-UHFFFAOYSA-N 0 3 352.309 1.847 20 5 FDBDHN COC(=O)[C@H]1CC12CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000265100313 179286362 /nfs/dbraw/zinc/28/63/62/179286362.db2.gz XHACDBYPDYXSLS-GOEBONIOSA-N 0 3 364.398 1.610 20 5 FDBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265233502 179317462 /nfs/dbraw/zinc/31/74/62/179317462.db2.gz PSODTNYXCLCSDF-UHFFFAOYSA-N 0 3 358.398 1.810 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000268802336 180162710 /nfs/dbraw/zinc/16/27/10/180162710.db2.gz QOMRRPZAULXWBY-WCQYABFASA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269712886 180368738 /nfs/dbraw/zinc/36/87/38/180368738.db2.gz UDEQJDMUXVANEJ-UHFFFAOYSA-N 0 3 361.320 1.800 20 5 FDBDHN CN1CCN(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273983141 181006994 /nfs/dbraw/zinc/00/69/94/181006994.db2.gz VFTCFYVCKIQMFE-UHFFFAOYSA-N 0 3 366.437 1.765 20 5 FDBDHN CN(C)Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)cc1 ZINC000530632151 540012474 /nfs/dbraw/zinc/01/24/74/540012474.db2.gz IJZZZAMCQXOSNM-UHFFFAOYSA-N 0 3 355.354 1.916 20 5 FDBDHN COCCOCCOCCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274389186 181083373 /nfs/dbraw/zinc/08/33/73/181083373.db2.gz KIGJYKZHBRTQCR-UHFFFAOYSA-N 0 3 372.418 1.771 20 5 FDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530811846 540047196 /nfs/dbraw/zinc/04/71/96/540047196.db2.gz FBHRZWQIPQHQGH-IBGZPJMESA-N 0 3 355.394 1.848 20 5 FDBDHN CCCN(CCN(C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000532219975 540145662 /nfs/dbraw/zinc/14/56/62/540145662.db2.gz PQASBKNJROINGF-UHFFFAOYSA-N 0 3 365.434 1.194 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCc3n[nH]c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000275037164 181223242 /nfs/dbraw/zinc/22/32/42/181223242.db2.gz XBYZPTGGMRHYNU-UHFFFAOYSA-N 0 3 373.369 1.074 20 5 FDBDHN O=C(NCCNc1ccncc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000533813158 540290625 /nfs/dbraw/zinc/29/06/25/540290625.db2.gz YLQSMBTVADHWQD-UHFFFAOYSA-N 0 3 353.338 1.507 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000534216482 540335537 /nfs/dbraw/zinc/33/55/37/540335537.db2.gz PZRUOSKLZVAZKD-BYCMXARLSA-N 0 3 352.460 1.899 20 5 FDBDHN Cc1ccc(NCCCNC(=O)NCCNc2ccncc2)c([N+](=O)[O-])c1 ZINC000534527019 540377506 /nfs/dbraw/zinc/37/75/06/540377506.db2.gz TVQQIJQVXMVNJE-UHFFFAOYSA-N 0 3 372.429 1.933 20 5 FDBDHN CS[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000534828347 540416429 /nfs/dbraw/zinc/41/64/29/540416429.db2.gz QMLHXRUHFNJZLJ-CABCVRRESA-N 0 3 352.460 1.901 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534951790 540430877 /nfs/dbraw/zinc/43/08/77/540430877.db2.gz MEWZXZWQUARQCJ-NILFDRSVSA-N 0 3 352.460 1.899 20 5 FDBDHN COC[C@@H](CC(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859813 540654835 /nfs/dbraw/zinc/65/48/35/540654835.db2.gz YYWBJLLVCUQLMD-CYBMUJFWSA-N 0 3 359.448 1.524 20 5 FDBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000538341521 540844414 /nfs/dbraw/zinc/84/44/14/540844414.db2.gz XCORYKCGBTYGPV-UHFFFAOYSA-N 0 3 351.428 1.671 20 5 FDBDHN Cn1cc(C(=O)NCC2=CCN(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538340930 540844448 /nfs/dbraw/zinc/84/44/48/540844448.db2.gz MPCSUEIKZGLCLN-UHFFFAOYSA-N 0 3 355.398 1.987 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)CCNC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000538811105 540893445 /nfs/dbraw/zinc/89/34/45/540893445.db2.gz UTLKCMGDLPGARO-UHFFFAOYSA-N 0 3 367.406 1.135 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCS1(=O)=O ZINC000542483916 541414137 /nfs/dbraw/zinc/41/41/37/541414137.db2.gz VAAAJKILEPURSL-DOMZBBRYSA-N 0 3 369.443 1.869 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665507 541444652 /nfs/dbraw/zinc/44/46/52/541444652.db2.gz MQEIHUQDFVVHQQ-MLGOLLRUSA-N 0 3 353.444 1.441 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763314 541462700 /nfs/dbraw/zinc/46/27/00/541462700.db2.gz UKLFASVEOYTODQ-CYBMUJFWSA-N 0 3 354.382 1.948 20 5 FDBDHN O=C(NCCNc1ccncc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542910902 541500068 /nfs/dbraw/zinc/50/00/68/541500068.db2.gz OMYJVDZXRRQDDG-UHFFFAOYSA-N 0 3 352.297 1.855 20 5 FDBDHN Cn1c(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000543957313 541690595 /nfs/dbraw/zinc/69/05/95/541690595.db2.gz YYQZMWRZBGOMCK-MRXNPFEDSA-N 0 3 372.425 1.820 20 5 FDBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCOC1 ZINC000544471707 541772758 /nfs/dbraw/zinc/77/27/58/541772758.db2.gz AMVONNXQQCXRRH-MNOVXSKESA-N 0 3 351.359 1.667 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000282750180 182051683 /nfs/dbraw/zinc/05/16/83/182051683.db2.gz BYCUPGUUEXAZRZ-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286191973 183010277 /nfs/dbraw/zinc/01/02/77/183010277.db2.gz BDVFBMUXMRZWLU-AAEUAGOBSA-N 0 3 354.432 1.305 20 5 FDBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286550588 183094394 /nfs/dbraw/zinc/09/43/94/183094394.db2.gz CQNVHJKNETVNLT-DZGCQCFKSA-N 0 3 353.444 1.983 20 5 FDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000287333418 183266248 /nfs/dbraw/zinc/26/62/48/183266248.db2.gz VNWVYDAYRYDWNN-SUMWQHHRSA-N 0 3 370.413 1.874 20 5 FDBDHN COc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])cc1F ZINC000294818920 184012122 /nfs/dbraw/zinc/01/21/22/184012122.db2.gz CNKNSUYKKGNETN-HNNXBMFYSA-N 0 3 357.407 1.910 20 5 FDBDHN CC(C)(C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)C(N)=O ZINC000295543769 184081410 /nfs/dbraw/zinc/08/14/10/184081410.db2.gz JTYPKEJMSMAEOC-ZDUSSCGKSA-N 0 3 350.419 1.370 20 5 FDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296094130 184129868 /nfs/dbraw/zinc/12/98/68/184129868.db2.gz DDVKGWFQMCRCTI-LSDHHAIUSA-N 0 3 354.794 1.471 20 5 FDBDHN CC1(C)C[C@H](NC[C@@]2(O)CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296587657 184181535 /nfs/dbraw/zinc/18/15/35/184181535.db2.gz UTXRHCAVWDGTSE-HOCLYGCPSA-N 0 3 354.428 1.456 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296643656 184186109 /nfs/dbraw/zinc/18/61/09/184186109.db2.gz VODFWYYITOSVHJ-LLVKDONJSA-N 0 3 352.366 1.581 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)CC(C)C ZINC000298010236 184374288 /nfs/dbraw/zinc/37/42/88/184374288.db2.gz YXNDBGGHMDCBMK-UHFFFAOYSA-N 0 3 352.391 1.375 20 5 FDBDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548741303 542769270 /nfs/dbraw/zinc/76/92/70/542769270.db2.gz JOXRMUQVZRWASP-LBPRGKRZSA-N 0 3 367.406 1.198 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000173260136 258294405 /nfs/dbraw/zinc/29/44/05/258294405.db2.gz WRKNHDROZPINCR-TZMCWYRMSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000173403756 258297832 /nfs/dbraw/zinc/29/78/32/258297832.db2.gz VMSXRNHXYKDSLV-HNNXBMFYSA-N 0 3 363.462 1.031 20 5 FDBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074137952 172074091 /nfs/dbraw/zinc/07/40/91/172074091.db2.gz RPNRCWREILOZFW-OAHLLOKOSA-N 0 3 363.462 1.397 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081997246 172199422 /nfs/dbraw/zinc/19/94/22/172199422.db2.gz QLFCELKMPMYSFQ-UHFFFAOYSA-N 0 3 365.430 1.979 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522662 172265382 /nfs/dbraw/zinc/26/53/82/172265382.db2.gz FJTAWAFMQUBSJG-GJZGRUSLSA-N 0 3 364.446 1.773 20 5 FDBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC000150728511 173378620 /nfs/dbraw/zinc/37/86/20/173378620.db2.gz GNIARAFOHWSISA-CQSZACIVSA-N 0 3 350.419 1.481 20 5 FDBDHN C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000150963244 173386574 /nfs/dbraw/zinc/38/65/74/173386574.db2.gz FJEPZHDDRJZYID-CQSZACIVSA-N 0 3 360.418 1.611 20 5 FDBDHN COC(=O)COc1c(C)cc(CNCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000151259248 173395554 /nfs/dbraw/zinc/39/55/54/173395554.db2.gz WXOSZPWXNVXWOT-UHFFFAOYSA-N 0 3 362.386 1.750 20 5 FDBDHN O=C1CCCN1C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179569298 258353674 /nfs/dbraw/zinc/35/36/74/258353674.db2.gz ZNRVCTLBXPKCIR-SJORKVTESA-N 0 3 373.413 1.106 20 5 FDBDHN O=C1CCCN1C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179569274 258353837 /nfs/dbraw/zinc/35/38/37/258353837.db2.gz ZNRVCTLBXPKCIR-IRXDYDNUSA-N 0 3 373.413 1.106 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000180564127 258370389 /nfs/dbraw/zinc/37/03/89/258370389.db2.gz XSQMNOHGZGMDOH-UHFFFAOYSA-N 0 3 363.418 1.337 20 5 FDBDHN COCCN1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173643791 258305783 /nfs/dbraw/zinc/30/57/83/258305783.db2.gz FRLNJEXDJIDYGW-ZDUSSCGKSA-N 0 3 350.419 1.622 20 5 FDBDHN CN1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000559791828 544799256 /nfs/dbraw/zinc/79/92/56/544799256.db2.gz CJQQAEQGAQNNBK-UHFFFAOYSA-N 0 3 364.402 1.079 20 5 FDBDHN CNC(=O)c1ccc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301510550 259028701 /nfs/dbraw/zinc/02/87/01/259028701.db2.gz CZONOXBRHPBERL-LSDHHAIUSA-N 0 3 362.430 1.380 20 5 FDBDHN CCOc1cccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000302132816 259039652 /nfs/dbraw/zinc/03/96/52/259039652.db2.gz CBXAZYIMSBXXRW-OAHLLOKOSA-N 0 3 362.430 1.912 20 5 FDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332173707 259247398 /nfs/dbraw/zinc/24/73/98/259247398.db2.gz SPWYADOUVVFSTI-GXTWGEPZSA-N 0 3 363.414 1.753 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368598381 260207804 /nfs/dbraw/zinc/20/78/04/260207804.db2.gz ZWGANLPWSQSYSM-CZUORRHYSA-N 0 3 370.413 1.650 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000370149945 260495498 /nfs/dbraw/zinc/49/54/98/260495498.db2.gz JFCWPMGKKRCZOO-AHIWAGSCSA-N 0 3 362.430 1.956 20 5 FDBDHN COC(=O)[C@]12CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000373795374 261041107 /nfs/dbraw/zinc/04/11/07/261041107.db2.gz DKMBCJCEMONFQX-YSVLISHTSA-N 0 3 350.371 1.140 20 5 FDBDHN C[C@]1(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000374111795 261079825 /nfs/dbraw/zinc/07/98/25/261079825.db2.gz UCJBLJFMZXQCPS-QGZVFWFLSA-N 0 3 362.386 1.284 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000374895487 261221385 /nfs/dbraw/zinc/22/13/85/261221385.db2.gz JSWHWPZARRMVCC-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000374989976 261240717 /nfs/dbraw/zinc/24/07/17/261240717.db2.gz RMOAKGYOBSSBHG-HZPDHXFCSA-N 0 3 361.402 1.481 20 5 FDBDHN C[C@H](CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C1CC1 ZINC000375376418 261326188 /nfs/dbraw/zinc/32/61/88/261326188.db2.gz BPLCSNFCNRVQKT-TZMCWYRMSA-N 0 3 350.423 1.621 20 5 FDBDHN COC(=O)c1cc(N2CCCN([C@@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000375513994 261359730 /nfs/dbraw/zinc/35/97/30/261359730.db2.gz WWBHSCKRRLXKSH-ZDUSSCGKSA-N 0 3 351.403 1.583 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000409664882 262131811 /nfs/dbraw/zinc/13/18/11/262131811.db2.gz JXZFEHYFHMBZSZ-UHFFFAOYSA-N 0 3 364.421 1.834 20 5 FDBDHN COC(=O)c1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000270527780 674223153 /nfs/dbraw/zinc/22/31/53/674223153.db2.gz UWRKTMXOKPJXQP-UONOGXRCSA-N 0 3 367.427 1.499 20 5 FDBDHN CNC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000026341697 519118720 /nfs/dbraw/zinc/11/87/20/519118720.db2.gz WFHXJAWWHKYTRV-UHFFFAOYSA-N 0 3 364.402 1.390 20 5 FDBDHN CC[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])N1CCCC1 ZINC000029623244 519304792 /nfs/dbraw/zinc/30/47/92/519304792.db2.gz BLXXMBHKWFFTRI-GFCCVEGCSA-N 0 3 356.448 1.789 20 5 FDBDHN COCCN(C)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000041951028 519673556 /nfs/dbraw/zinc/67/35/56/519673556.db2.gz DFAGFEGSGMHCFL-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916479 521760754 /nfs/dbraw/zinc/76/07/54/521760754.db2.gz FTRXKAWHCOHIOJ-UHFFFAOYSA-N 0 3 356.448 1.423 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069149113 521819593 /nfs/dbraw/zinc/81/95/93/521819593.db2.gz ODDZZQNLPOKFKQ-UHFFFAOYSA-N 0 3 350.419 1.957 20 5 FDBDHN CC1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047119951 522449751 /nfs/dbraw/zinc/44/97/51/522449751.db2.gz PFCPZFMSAQKFBF-UHFFFAOYSA-N 0 3 362.430 1.563 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073092823 522464723 /nfs/dbraw/zinc/46/47/23/522464723.db2.gz VMXCWLKHPBYYGU-CQSZACIVSA-N 0 3 363.414 1.899 20 5 FDBDHN CC1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000047383794 522504942 /nfs/dbraw/zinc/50/49/42/522504942.db2.gz CGTXZPHFIRTGBN-UHFFFAOYSA-N 0 3 358.402 1.637 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CCc2ccccc2C1 ZINC000065777309 522886168 /nfs/dbraw/zinc/88/61/68/522886168.db2.gz SQFJVXNNYQWKFI-UHFFFAOYSA-N 0 3 357.414 1.746 20 5 FDBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136778 523330498 /nfs/dbraw/zinc/33/04/98/523330498.db2.gz NZAIWSCVYCVSFF-LBPRGKRZSA-N 0 3 356.386 1.390 20 5 FDBDHN CC(C)N1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067276931 523376761 /nfs/dbraw/zinc/37/67/61/523376761.db2.gz CPOHJJXTVSGTAV-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CN1CCCC1 ZINC000067751806 523570641 /nfs/dbraw/zinc/57/06/41/523570641.db2.gz QINLHQJNJVYPHH-LBPRGKRZSA-N 0 3 369.443 1.460 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000068882773 523873646 /nfs/dbraw/zinc/87/36/46/523873646.db2.gz UXRDIVQLPKOINR-CQSZACIVSA-N 0 3 369.443 1.852 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121774833 524357932 /nfs/dbraw/zinc/35/79/32/524357932.db2.gz ZBQLQMNOWHZTLJ-AWEZNQCLSA-N 0 3 354.357 1.616 20 5 FDBDHN Cc1c(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000122023451 524433481 /nfs/dbraw/zinc/43/34/81/524433481.db2.gz PDKMXNWECWXCIT-UHFFFAOYSA-N 0 3 374.485 1.932 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000122444327 524537340 /nfs/dbraw/zinc/53/73/40/524537340.db2.gz YGCNGWPAJOBKAE-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN CN(C)CCOc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000122966390 524654293 /nfs/dbraw/zinc/65/42/93/524654293.db2.gz FRXNDZOMVARXMX-UHFFFAOYSA-N 0 3 361.402 1.438 20 5 FDBDHN COc1cc(C)c(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000174665118 524681900 /nfs/dbraw/zinc/68/19/00/524681900.db2.gz CKRBHBPDNFFSAT-HNNXBMFYSA-N 0 3 364.402 1.610 20 5 FDBDHN Cc1csc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174764037 524729370 /nfs/dbraw/zinc/72/93/70/524729370.db2.gz LRLNHNUXRVAUPZ-CQSZACIVSA-N 0 3 351.432 1.797 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](O)CN1CCCCC1 ZINC000160004482 524787746 /nfs/dbraw/zinc/78/77/46/524787746.db2.gz UUUZJGMQVFWWDJ-AWEZNQCLSA-N 0 3 353.444 1.650 20 5 FDBDHN Cc1nccn1CCCN(C)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000160258113 524844042 /nfs/dbraw/zinc/84/40/42/524844042.db2.gz KUQATYJEMMWIBL-MRXNPFEDSA-N 0 3 371.397 1.754 20 5 FDBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000152710786 524978601 /nfs/dbraw/zinc/97/86/01/524978601.db2.gz GLYQGIZKJORCMK-UHFFFAOYSA-N 0 3 359.386 1.205 20 5 FDBDHN COc1cc(OCC(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115432490 524992141 /nfs/dbraw/zinc/99/21/41/524992141.db2.gz BADVCQYQICVMRU-ZDUSSCGKSA-N 0 3 351.403 1.782 20 5 FDBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000116206376 525115561 /nfs/dbraw/zinc/11/55/61/525115561.db2.gz DHOBZMOMUFGTFP-UHFFFAOYSA-N 0 3 358.402 1.626 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1 ZINC000161745621 525162184 /nfs/dbraw/zinc/16/21/84/525162184.db2.gz QAURIJDDISUFPZ-INIZCTEOSA-N 0 3 371.459 1.251 20 5 FDBDHN COCCN(C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177088104 525234027 /nfs/dbraw/zinc/23/40/27/525234027.db2.gz FSXCNZIXLCGDIZ-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN O=[N+]([O-])c1cc(Cl)cnc1NCCCCN1CCN(CCO)CC1 ZINC000153776811 525320845 /nfs/dbraw/zinc/32/08/45/525320845.db2.gz CSJWAJCYTWDELB-UHFFFAOYSA-N 0 3 357.842 1.445 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000103976450 525382651 /nfs/dbraw/zinc/38/26/51/525382651.db2.gz VHIIZUAFOJOGRR-AWEZNQCLSA-N 0 3 358.402 1.732 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104556496 525419680 /nfs/dbraw/zinc/41/96/80/525419680.db2.gz CXGRUWOIJSTJRN-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000127770928 525461255 /nfs/dbraw/zinc/46/12/55/525461255.db2.gz FWXFYTFFFHUPPP-HNNXBMFYSA-N 0 3 365.434 1.121 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163982891 525467634 /nfs/dbraw/zinc/46/76/34/525467634.db2.gz NXPZVUUNLQBUEK-HNNXBMFYSA-N 0 3 355.460 1.883 20 5 FDBDHN Cc1sc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000128016360 525492145 /nfs/dbraw/zinc/49/21/45/525492145.db2.gz VCBLOJQSTDLGRS-LBPRGKRZSA-N 0 3 370.475 1.787 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000131002202 525818676 /nfs/dbraw/zinc/81/86/76/525818676.db2.gz QPAMHXBLFVPAEG-MRXNPFEDSA-N 0 3 374.441 1.828 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000131349151 525850964 /nfs/dbraw/zinc/85/09/64/525850964.db2.gz TYOFKCBDSFUYSA-MRXNPFEDSA-N 0 3 350.394 1.648 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])ccn1 ZINC000155648534 525932832 /nfs/dbraw/zinc/93/28/32/525932832.db2.gz VWJKVEUHXLQHOR-UHFFFAOYSA-N 0 3 373.413 1.659 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132081217 525933681 /nfs/dbraw/zinc/93/36/81/525933681.db2.gz VLKDVMCBCSXREE-GOEBONIOSA-N 0 3 372.429 1.698 20 5 FDBDHN CC(C)C(=O)N1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109146956 526082620 /nfs/dbraw/zinc/08/26/20/526082620.db2.gz LHXZEGWRTVOPFF-KRWDZBQOSA-N 0 3 374.441 1.937 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000171970783 526197732 /nfs/dbraw/zinc/19/77/32/526197732.db2.gz GHQTYJWNFKKCQI-NVXWUHKLSA-N 0 3 374.441 1.544 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000172006011 526205674 /nfs/dbraw/zinc/20/56/74/526205674.db2.gz BQDFGPJGDLTZMQ-UHFFFAOYSA-N 0 3 357.414 1.914 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109986278 526213099 /nfs/dbraw/zinc/21/30/99/526213099.db2.gz ZRTCISUWVUYIAE-LBPRGKRZSA-N 0 3 358.398 1.898 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000183101144 535920081 /nfs/dbraw/zinc/92/00/81/535920081.db2.gz JSRYRWQOVKJIFP-AWEZNQCLSA-N 0 3 362.430 1.624 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184383995 536142471 /nfs/dbraw/zinc/14/24/71/536142471.db2.gz XRWZLXPEHGOPGS-ZIAGYGMSSA-N 0 3 366.437 1.980 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000186729511 536242512 /nfs/dbraw/zinc/24/25/12/536242512.db2.gz MGBHTJJAOWEEIZ-UHFFFAOYSA-N 0 3 362.430 1.598 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000187399374 536265358 /nfs/dbraw/zinc/26/53/58/536265358.db2.gz NDGBXQGCQZUMOL-UHFFFAOYSA-N 0 3 358.402 1.723 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188183669 536285103 /nfs/dbraw/zinc/28/51/03/536285103.db2.gz HCZSRRFYYAHZMK-QGZVFWFLSA-N 0 3 359.386 1.027 20 5 FDBDHN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000188670255 536923957 /nfs/dbraw/zinc/92/39/57/536923957.db2.gz YTVJJWLVZBJEGX-NSHDSACASA-N 0 3 361.402 1.388 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000246396808 536944521 /nfs/dbraw/zinc/94/45/21/536944521.db2.gz KONLAXVMIYPOQT-SGMGOOAPSA-N 0 3 360.414 1.455 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189133535 537003447 /nfs/dbraw/zinc/00/34/47/537003447.db2.gz BQCGFCSNXJTHGQ-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246894240 537046354 /nfs/dbraw/zinc/04/63/54/537046354.db2.gz XJOVLWRUHNGDID-ZBFHGGJFSA-N 0 3 361.402 1.338 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000263645762 537050316 /nfs/dbraw/zinc/05/03/16/537050316.db2.gz CHIKIRKMQURCAQ-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000263683221 537064147 /nfs/dbraw/zinc/06/41/47/537064147.db2.gz HKWXCGHAZDAXDD-SXSDINLZSA-N 0 3 374.441 1.667 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000189716302 537084689 /nfs/dbraw/zinc/08/46/89/537084689.db2.gz VKBULOVVAOXRAQ-AWEZNQCLSA-N 0 3 351.403 1.969 20 5 FDBDHN COC(=O)C1CCN(CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000298679511 537265613 /nfs/dbraw/zinc/26/56/13/537265613.db2.gz UKPRIUAVPLCVTE-UHFFFAOYSA-N 0 3 364.402 1.381 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270813192 537381110 /nfs/dbraw/zinc/38/11/10/537381110.db2.gz HIKGPOMOAINGRD-LSDHHAIUSA-N 0 3 358.398 1.536 20 5 FDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000280582775 537432572 /nfs/dbraw/zinc/43/25/72/537432572.db2.gz SYUVTPOBIJVVHZ-NVXWUHKLSA-N 0 3 373.409 1.883 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CN2CCCC2)C1 ZINC000276373375 537457793 /nfs/dbraw/zinc/45/77/93/537457793.db2.gz XKEAQHPTPQUPAB-ZDUSSCGKSA-N 0 3 353.444 1.920 20 5 FDBDHN CC(C)(C(=O)NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000570645400 549358772 /nfs/dbraw/zinc/35/87/72/549358772.db2.gz FZQUFZKKERZQGR-SFHVURJKSA-N 0 3 365.405 1.584 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291853518 537684399 /nfs/dbraw/zinc/68/43/99/537684399.db2.gz IETSLKNZJCRTML-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000285404501 537703569 /nfs/dbraw/zinc/70/35/69/537703569.db2.gz UHEICSNALMELHG-CJNGLKHVSA-N 0 3 353.444 1.983 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1OCCc2sccc21 ZINC000292418673 537734659 /nfs/dbraw/zinc/73/46/59/537734659.db2.gz MPHAPZNFFCNEPE-JVLSTEMRSA-N 0 3 352.416 1.506 20 5 FDBDHN CN(C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000285635142 537739569 /nfs/dbraw/zinc/73/95/69/537739569.db2.gz OBWVBMPTDFMFNW-HNNXBMFYSA-N 0 3 355.460 1.741 20 5 FDBDHN COc1ccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369783670 538068081 /nfs/dbraw/zinc/06/80/81/538068081.db2.gz VOZGJDWFMTVXIY-QGZVFWFLSA-N 0 3 358.398 1.950 20 5 FDBDHN Cc1ccc(N2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369783339 538068340 /nfs/dbraw/zinc/06/83/40/538068340.db2.gz SUAHXARAUWWDES-GOSISDBHSA-N 0 3 359.430 1.673 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCCO[C@H](C)C1 ZINC000432860779 538181164 /nfs/dbraw/zinc/18/11/64/538181164.db2.gz UJQAVNXSPYYMLB-CYBMUJFWSA-N 0 3 350.419 1.867 20 5 FDBDHN Cc1c(NC(=O)[C@@H](C)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424288832 538271532 /nfs/dbraw/zinc/27/15/32/538271532.db2.gz JKXPGWGBCCEELU-VHDGCEQUSA-N 0 3 372.429 1.390 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000420398211 538285598 /nfs/dbraw/zinc/28/55/98/538285598.db2.gz AAAJVEQHUYFYDJ-UHFFFAOYSA-N 0 3 353.322 1.644 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000420427416 538292534 /nfs/dbraw/zinc/29/25/34/538292534.db2.gz KMDHYUROGBFSPY-UHFFFAOYSA-N 0 3 361.423 1.860 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446893816 538327078 /nfs/dbraw/zinc/32/70/78/538327078.db2.gz IQMYVMLNSKVMNX-UHFFFAOYSA-N 0 3 360.418 1.954 20 5 FDBDHN CN(C)C(=O)CCN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420605360 538329518 /nfs/dbraw/zinc/32/95/18/538329518.db2.gz VAKINAJPKQFVKF-UHFFFAOYSA-N 0 3 363.418 1.048 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC1(C)C ZINC000457069300 538472107 /nfs/dbraw/zinc/47/21/07/538472107.db2.gz FGMFMCCMWOMFCD-ZDUSSCGKSA-N 0 3 362.430 1.704 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[C@H]1C ZINC000469482139 538797061 /nfs/dbraw/zinc/79/70/61/538797061.db2.gz PSLSQJXCVHRKFU-DGCLKSJQSA-N 0 3 352.439 1.380 20 5 FDBDHN COC(=O)COc1ccc(CNC[C@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000474000134 538811510 /nfs/dbraw/zinc/81/15/10/538811510.db2.gz LJIXSTIQIMDUKK-MRXNPFEDSA-N 0 3 354.359 1.042 20 5 FDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489464558 538815580 /nfs/dbraw/zinc/81/55/80/538815580.db2.gz KMRHFSKOXDEUOS-QLFBSQMISA-N 0 3 354.403 1.460 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000474343236 538835290 /nfs/dbraw/zinc/83/52/90/538835290.db2.gz BRMPYZOGWBTLIM-OCCSQVGLSA-N 0 3 363.414 1.861 20 5 FDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561013348 545653622 /nfs/dbraw/zinc/65/36/22/545653622.db2.gz LTHXNNRVTBCLLH-CYBMUJFWSA-N 0 3 362.430 1.326 20 5 FDBDHN COc1ccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000563116702 546414145 /nfs/dbraw/zinc/41/41/45/546414145.db2.gz MFZGEUWEWLAZNA-CYBMUJFWSA-N 0 3 360.374 1.131 20 5 FDBDHN O=C(CCN1CCC(N2CN=NC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000563355900 546499222 /nfs/dbraw/zinc/49/92/22/546499222.db2.gz UGUZMSNMPATUCO-UHFFFAOYSA-N 0 3 360.374 1.558 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000563362342 546501629 /nfs/dbraw/zinc/50/16/29/546501629.db2.gz BUCFELNOIHXELW-KRWDZBQOSA-N 0 3 362.386 1.287 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000564305518 546873428 /nfs/dbraw/zinc/87/34/28/546873428.db2.gz WDHDUXJCWPTVML-GOSISDBHSA-N 0 3 363.414 1.245 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000564702202 547007368 /nfs/dbraw/zinc/00/73/68/547007368.db2.gz GWUYTZSQPOFQSP-HOTGVXAUSA-N 0 3 363.418 1.562 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000564977347 547138276 /nfs/dbraw/zinc/13/82/76/547138276.db2.gz ZVPKTSTYLAWFCH-HZPDHXFCSA-N 0 3 364.373 1.667 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]12CCNC2=O ZINC000565168253 547230342 /nfs/dbraw/zinc/23/03/42/547230342.db2.gz BRBNQUTWCYQQGS-KRWDZBQOSA-N 0 3 362.386 1.287 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000565783834 547480596 /nfs/dbraw/zinc/48/05/96/547480596.db2.gz NMYYDNKTFHUPCE-UHFFFAOYSA-N 0 3 372.429 1.315 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566179084 547643241 /nfs/dbraw/zinc/64/32/41/547643241.db2.gz NYYLVKHYGFDRMX-DAYGRLMNSA-N 0 3 363.414 1.622 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000566762823 547878307 /nfs/dbraw/zinc/87/83/07/547878307.db2.gz ZFSLRFVWTBXXFX-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000567688360 548213582 /nfs/dbraw/zinc/21/35/82/548213582.db2.gz ONHFZUZKLNJVHM-LBPRGKRZSA-N 0 3 374.319 1.840 20 5 FDBDHN O=C(Cn1ccc2c(cccc2[N+](=O)[O-])c1=O)NC1CCN(C2CC2)CC1 ZINC000567870927 548299995 /nfs/dbraw/zinc/29/99/95/548299995.db2.gz ZDXQMUDLTBUSQQ-UHFFFAOYSA-N 0 3 370.409 1.653 20 5 FDBDHN C[C@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000569884145 549081243 /nfs/dbraw/zinc/08/12/43/549081243.db2.gz NOSMGQYFSBCZHW-BBRMVZONSA-N 0 3 370.475 1.906 20 5 FDBDHN CSC1(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CCN(C)CC1 ZINC000570016406 549129030 /nfs/dbraw/zinc/12/90/30/549129030.db2.gz MTFDPRSYWPGWSY-UHFFFAOYSA-N 0 3 355.464 1.433 20 5 FDBDHN CN(C)S(=O)(=O)N1CCC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000570411918 549270644 /nfs/dbraw/zinc/27/06/44/549270644.db2.gz UMBPXYRTLQMUIF-DOMZBBRYSA-N 0 3 368.459 1.443 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(CC)CC ZINC000570892680 549449689 /nfs/dbraw/zinc/44/96/89/549449689.db2.gz SRXFAFMPPLULRD-LBPRGKRZSA-N 0 3 350.419 1.942 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)n1 ZINC000571261362 549582246 /nfs/dbraw/zinc/58/22/46/549582246.db2.gz BAVRKNYUWGGJAM-UHFFFAOYSA-N 0 3 359.390 1.210 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCc2nnc(-c3ccccc3)o2)c1 ZINC000571634404 549714916 /nfs/dbraw/zinc/71/49/16/549714916.db2.gz QINCFIZYCXNTPX-AWEZNQCLSA-N 0 3 358.358 1.035 20 5 FDBDHN CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000573732619 550202151 /nfs/dbraw/zinc/20/21/51/550202151.db2.gz ZFPVBZNCMIZUJW-UHFFFAOYSA-N 0 3 359.473 1.701 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@H]1C(F)F ZINC000574877324 550385373 /nfs/dbraw/zinc/38/53/73/550385373.db2.gz MYMKFVPLMHXUGX-GFCCVEGCSA-N 0 3 358.345 1.471 20 5 FDBDHN CSCc1cc(F)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575040042 550413658 /nfs/dbraw/zinc/41/36/58/550413658.db2.gz JFTCYZCTGVNXIP-OAHLLOKOSA-N 0 3 354.407 1.944 20 5 FDBDHN CCNC(=O)c1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000577055062 550615210 /nfs/dbraw/zinc/61/52/10/550615210.db2.gz SEQRFHUJQRJZJT-KRWDZBQOSA-N 0 3 373.409 1.874 20 5 FDBDHN CCCN(C)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000577229221 550635038 /nfs/dbraw/zinc/63/50/38/550635038.db2.gz DUUREJCARAWVDQ-UHFFFAOYSA-N 0 3 360.418 1.798 20 5 FDBDHN CC(C)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000579290355 550856197 /nfs/dbraw/zinc/85/61/97/550856197.db2.gz PBGNFBXJYIBQBX-UBHSHLNASA-N 0 3 366.336 1.872 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579371157 550866672 /nfs/dbraw/zinc/86/66/72/550866672.db2.gz XUNWDIAZNQNWAV-IIMNLJJBSA-N 0 3 356.810 1.182 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000580796860 551019456 /nfs/dbraw/zinc/01/94/56/551019456.db2.gz GXTSYXPWJWOTCY-ZBFHGGJFSA-N 0 3 366.414 1.604 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000581425306 551087109 /nfs/dbraw/zinc/08/71/09/551087109.db2.gz JUKOBWPNTDFBEH-SPUZQDLCSA-N 0 3 366.414 1.651 20 5 FDBDHN C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(Cc2ccccc2)C1 ZINC000582908691 551280250 /nfs/dbraw/zinc/28/02/50/551280250.db2.gz YVAKDDBEFDTQFR-LJQANCHMSA-N 0 3 370.409 1.537 20 5 FDBDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583308412 551332675 /nfs/dbraw/zinc/33/26/75/551332675.db2.gz ZXXGZOBNGOXHRV-HNNXBMFYSA-N 0 3 374.441 1.422 20 5 FDBDHN CN(C)CCOc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccn1 ZINC000588008760 551640009 /nfs/dbraw/zinc/64/00/09/551640009.db2.gz WZEXDRYYAMFOJU-UHFFFAOYSA-N 0 3 361.402 1.617 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860552 551693950 /nfs/dbraw/zinc/69/39/50/551693950.db2.gz HPKVSJXAXXWQAY-CHWSQXEVSA-N 0 3 356.382 1.424 20 5 FDBDHN COC1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000589840137 551747450 /nfs/dbraw/zinc/74/74/50/551747450.db2.gz PWCPMOSXMFOEEX-UHFFFAOYSA-N 0 3 357.357 1.643 20 5 FDBDHN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000590369294 551776632 /nfs/dbraw/zinc/77/66/32/551776632.db2.gz AUXOOZIWNZVWCV-HIFRSBDPSA-N 0 3 364.446 1.483 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590444967 551785229 /nfs/dbraw/zinc/78/52/29/551785229.db2.gz OPZILCJHEJPNOR-WFASDCNBSA-N 0 3 356.386 1.260 20 5 FDBDHN CSc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000590550882 551791396 /nfs/dbraw/zinc/79/13/96/551791396.db2.gz SVNIDOAZBUWNFT-QWHCGFSZSA-N 0 3 351.428 1.598 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000590565877 551793167 /nfs/dbraw/zinc/79/31/67/551793167.db2.gz RZHBFPIYOMDUEG-OLZOCXBDSA-N 0 3 366.418 1.495 20 5 FDBDHN CCc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000592016456 551927124 /nfs/dbraw/zinc/92/71/24/551927124.db2.gz JJBDXDIDJTXVAR-GFCCVEGCSA-N 0 3 353.444 1.920 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166881 551952424 /nfs/dbraw/zinc/95/24/24/551952424.db2.gz KHNPMPXSWNGGBL-QYZOEREBSA-N 0 3 374.441 1.610 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592193958 551956456 /nfs/dbraw/zinc/95/64/56/551956456.db2.gz GCTPPKZACZSUTJ-TZMCWYRMSA-N 0 3 365.386 1.088 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000592543952 552006714 /nfs/dbraw/zinc/00/67/14/552006714.db2.gz ZSAWRKQTVNQLHX-GFCCVEGCSA-N 0 3 366.443 1.242 20 5 FDBDHN CCCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592830536 552033361 /nfs/dbraw/zinc/03/33/61/552033361.db2.gz HCIQEOUMSPAGDP-MRXNPFEDSA-N 0 3 362.430 1.657 20 5 FDBDHN C[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593235450 552075411 /nfs/dbraw/zinc/07/54/11/552075411.db2.gz QCNKIVURRNKFBE-LBPRGKRZSA-N 0 3 366.393 1.070 20 5 FDBDHN CCN1CCN(CCCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593465832 552113106 /nfs/dbraw/zinc/11/31/06/552113106.db2.gz VDIMGYMASQDCPX-UHFFFAOYSA-N 0 3 366.437 1.810 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)nc1 ZINC000593567394 552137030 /nfs/dbraw/zinc/13/70/30/552137030.db2.gz QMDJPEITUGGRLT-SWLSCSKDSA-N 0 3 366.443 1.627 20 5 FDBDHN COC(=O)COc1ccc(CNCC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593687176 552173792 /nfs/dbraw/zinc/17/37/92/552173792.db2.gz CWVIYWPJGLLXCR-QGZVFWFLSA-N 0 3 368.386 1.168 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594080531 552247526 /nfs/dbraw/zinc/24/75/26/552247526.db2.gz KFOJEDAKKOLKMC-WDEREUQCSA-N 0 3 374.319 1.896 20 5 FDBDHN CNc1nccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000594315027 552285735 /nfs/dbraw/zinc/28/57/35/552285735.db2.gz SHUJWUYIXUDJOP-LBPRGKRZSA-N 0 3 371.397 2.001 20 5 FDBDHN NS(=O)(=O)c1cc(N[C@H]2CCCN3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594599292 552339517 /nfs/dbraw/zinc/33/95/17/552339517.db2.gz ISNSVVIEEPKPHU-LSDHHAIUSA-N 0 3 354.432 1.671 20 5 FDBDHN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594603009 552340327 /nfs/dbraw/zinc/34/03/27/552340327.db2.gz HALQAXMLZYUMPJ-JKSUJKDBSA-N 0 3 355.398 1.615 20 5 FDBDHN CC(=O)NCc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000594718237 552362843 /nfs/dbraw/zinc/36/28/43/552362843.db2.gz LMYHHNTUJAVATI-GOSISDBHSA-N 0 3 373.409 1.760 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595121223 552457715 /nfs/dbraw/zinc/45/77/15/552457715.db2.gz LNEKNBNMUMBPOZ-GHMZBOCLSA-N 0 3 351.787 1.616 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595344444 552531455 /nfs/dbraw/zinc/53/14/55/552531455.db2.gz FIUFKLSAYWYARO-OAHLLOKOSA-N 0 3 350.394 1.472 20 5 FDBDHN Cc1c(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595587074 552588605 /nfs/dbraw/zinc/58/86/05/552588605.db2.gz BQHGQRZDXGGHPR-MRXNPFEDSA-N 0 3 362.430 1.956 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595631147 552594962 /nfs/dbraw/zinc/59/49/62/552594962.db2.gz GBPFCWRFCYZCCE-LXZKKBNFSA-N 0 3 365.430 1.997 20 5 FDBDHN NCC12CC(C1)CN2C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595989761 552641540 /nfs/dbraw/zinc/64/15/40/552641540.db2.gz UQXZXLOBHABOCJ-UHFFFAOYSA-N 0 3 358.398 1.036 20 5 FDBDHN C[C@@H](NC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596045781 552649155 /nfs/dbraw/zinc/64/91/55/552649155.db2.gz FRDOYWZUCJININ-UKRRQHHQSA-N 0 3 362.430 1.765 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000596296090 552671661 /nfs/dbraw/zinc/67/16/61/552671661.db2.gz GTFGJGULBSZASW-CHWSQXEVSA-N 0 3 354.432 1.671 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596487934 552683479 /nfs/dbraw/zinc/68/34/79/552683479.db2.gz LZSSOROOVBIHKS-GFCCVEGCSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000596543762 552687703 /nfs/dbraw/zinc/68/77/03/552687703.db2.gz TYTJFFYRIZLYOR-ZDUSSCGKSA-N 0 3 365.434 1.317 20 5 FDBDHN Nc1c(NC(=O)N[C@H]2CCCN(CCCO)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093888 552745933 /nfs/dbraw/zinc/74/59/33/552745933.db2.gz ZJUWOZYVDHURKD-NSHDSACASA-N 0 3 371.825 1.799 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000597401088 552784517 /nfs/dbraw/zinc/78/45/17/552784517.db2.gz FSEPAMVVTNCYTI-HNNXBMFYSA-N 0 3 374.441 1.686 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597652656 552817824 /nfs/dbraw/zinc/81/78/24/552817824.db2.gz DHRLFTOGXPGCTC-INIZCTEOSA-N 0 3 372.425 1.859 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597697701 552823444 /nfs/dbraw/zinc/82/34/44/552823444.db2.gz ZERKZYLZSGNKCZ-QZTJIDSGSA-N 0 3 372.425 1.871 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597922917 552846093 /nfs/dbraw/zinc/84/60/93/552846093.db2.gz GWTSKQQYGKYJHW-GXTWGEPZSA-N 0 3 362.430 1.702 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597992491 552853951 /nfs/dbraw/zinc/85/39/51/552853951.db2.gz VUSIXZBGLJPHJC-HNNXBMFYSA-N 0 3 370.409 1.674 20 5 FDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000598341658 552887506 /nfs/dbraw/zinc/88/75/06/552887506.db2.gz FLHXKPWSFKPFPS-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCN1 ZINC000598576714 552910748 /nfs/dbraw/zinc/91/07/48/552910748.db2.gz YXIISTNRQUHAMC-CQSZACIVSA-N 0 3 353.444 1.749 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000598610542 552915448 /nfs/dbraw/zinc/91/54/48/552915448.db2.gz HIYVJFRRWMZMJB-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000598904390 552942598 /nfs/dbraw/zinc/94/25/98/552942598.db2.gz WXIKGZHFISMJFX-KRWDZBQOSA-N 0 3 361.402 1.271 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3nccc(N)c3C2)s1 ZINC000598943580 552949706 /nfs/dbraw/zinc/94/97/06/552949706.db2.gz SJEGNBOLMGCYPJ-UHFFFAOYSA-N 0 3 354.413 1.600 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599009812 552957820 /nfs/dbraw/zinc/95/78/20/552957820.db2.gz LXMOTXADAVQEJG-CJNGLKHVSA-N 0 3 350.371 1.804 20 5 FDBDHN CCC1(N2CCOCC2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000599183798 552979980 /nfs/dbraw/zinc/97/99/80/552979980.db2.gz VDCZPSIJUPBPJB-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000599632082 553108591 /nfs/dbraw/zinc/10/85/91/553108591.db2.gz UGJXAJFXKMAZCP-RSPPDBIESA-N 0 3 351.428 1.909 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229921 553232971 /nfs/dbraw/zinc/23/29/71/553232971.db2.gz XRJZJOWSJMIKGV-KRWDZBQOSA-N 0 3 374.441 1.848 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164404 553354946 /nfs/dbraw/zinc/35/49/46/553354946.db2.gz CNDAGYHJMJQKFA-CYBMUJFWSA-N 0 3 352.410 1.737 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601422569 553401712 /nfs/dbraw/zinc/40/17/12/553401712.db2.gz SUWAMRRCCJDGRO-BXKDBHETSA-N 0 3 361.395 1.456 20 5 FDBDHN Cn1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602699121 553624210 /nfs/dbraw/zinc/62/42/10/553624210.db2.gz LUHJUIYZJACQAP-ROUUACIJSA-N 0 3 371.441 1.804 20 5 FDBDHN Cc1nn(CCC(=O)N2CCCN(c3ccncc3)CC2)c(C)c1[N+](=O)[O-] ZINC000603084609 553706927 /nfs/dbraw/zinc/70/69/27/553706927.db2.gz VKEJSQQILARAEO-UHFFFAOYSA-N 0 3 372.429 1.932 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603429157 553786004 /nfs/dbraw/zinc/78/60/04/553786004.db2.gz USTCJRDMDBAUQZ-SFHVURJKSA-N 0 3 362.474 1.789 20 5 FDBDHN CC1CCN(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000603857182 553821493 /nfs/dbraw/zinc/82/14/93/553821493.db2.gz CBUAPWNFIQGHLN-UHFFFAOYSA-N 0 3 370.475 1.989 20 5 FDBDHN CN1CCCN(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000604526492 553884516 /nfs/dbraw/zinc/88/45/16/553884516.db2.gz IUBYRDMBCVNXLK-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000609287373 554359737 /nfs/dbraw/zinc/35/97/37/554359737.db2.gz FEVXQDJQOBKYDM-UHFFFAOYSA-N 0 3 369.422 1.226 20 5 FDBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000609287373 554359738 /nfs/dbraw/zinc/35/97/38/554359738.db2.gz FEVXQDJQOBKYDM-UHFFFAOYSA-N 0 3 369.422 1.226 20 5 FDBDHN CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000609509322 554385493 /nfs/dbraw/zinc/38/54/93/554385493.db2.gz PQOWILCJBBZHKG-AWEZNQCLSA-N 0 3 356.386 1.484 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000610209079 554473949 /nfs/dbraw/zinc/47/39/49/554473949.db2.gz QZKGAAAJICJFFF-WDEREUQCSA-N 0 3 368.821 1.577 20 5 FDBDHN COc1ccc(CC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000610913330 554580168 /nfs/dbraw/zinc/58/01/68/554580168.db2.gz SOGJAPTWNPSXPB-HNNXBMFYSA-N 0 3 363.414 1.515 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922252 554581289 /nfs/dbraw/zinc/58/12/89/554581289.db2.gz ATZRSVAUOZRMCN-NWDGAFQWSA-N 0 3 351.407 1.113 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000611185932 554613522 /nfs/dbraw/zinc/61/35/22/554613522.db2.gz RETYWXMRQPJZIH-KRWDZBQOSA-N 0 3 353.382 1.984 20 5 FDBDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000611539875 554644177 /nfs/dbraw/zinc/64/41/77/554644177.db2.gz GRCMJXUYOPTZQD-HNNXBMFYSA-N 0 3 355.460 1.931 20 5 FDBDHN CC[C@H](CN1CCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000611539879 554644198 /nfs/dbraw/zinc/64/41/98/554644198.db2.gz GRCMJXUYOPTZQD-OAHLLOKOSA-N 0 3 355.460 1.931 20 5 FDBDHN CN1CC[C@H](Cn2nnnc2Sc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611711735 554669876 /nfs/dbraw/zinc/66/98/76/554669876.db2.gz POQFLWMLJCTEAF-JTQLQIEISA-N 0 3 372.414 1.627 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2ccncc2)CC1 ZINC000612092726 554733156 /nfs/dbraw/zinc/73/31/56/554733156.db2.gz KZRKNELQNVYPGU-INIZCTEOSA-N 0 3 358.398 1.552 20 5 FDBDHN CN1CCC[C@H](N2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)C1 ZINC000612444838 554780433 /nfs/dbraw/zinc/78/04/33/554780433.db2.gz WJCGHZSHVQFDPI-AWEZNQCLSA-N 0 3 356.430 1.754 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000619484014 555785508 /nfs/dbraw/zinc/78/55/08/555785508.db2.gz KJVASAOYIGCIOR-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN CN(C)CCOc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])ccn1 ZINC000291018062 567965186 /nfs/dbraw/zinc/96/51/86/567965186.db2.gz XADJMVBETAOJOO-UHFFFAOYSA-N 0 3 360.374 1.036 20 5 FDBDHN Cc1c(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000481475393 567979743 /nfs/dbraw/zinc/97/97/43/567979743.db2.gz DAEGSUKMAGRHLM-LBPRGKRZSA-N 0 3 370.427 1.502 20 5 FDBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272129938 674416632 /nfs/dbraw/zinc/41/66/32/674416632.db2.gz RZXGHHPWVKVHBM-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272283456 674428077 /nfs/dbraw/zinc/42/80/77/674428077.db2.gz DTKAWFFTVUYIOG-AWEZNQCLSA-N 0 3 370.837 1.811 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736980849 598395019 /nfs/dbraw/zinc/39/50/19/598395019.db2.gz FRMHVPARPWHAHB-UHFFFAOYSA-N 0 3 361.406 1.688 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736980849 598395021 /nfs/dbraw/zinc/39/50/21/598395021.db2.gz FRMHVPARPWHAHB-UHFFFAOYSA-N 0 3 361.406 1.688 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000154721834 671927250 /nfs/dbraw/zinc/92/72/50/671927250.db2.gz XWIKGYYORASZFY-OAHLLOKOSA-N 0 3 366.849 1.987 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176235546 672112423 /nfs/dbraw/zinc/11/24/23/672112423.db2.gz GOTIGENSFZWTPZ-ZDUSSCGKSA-N 0 3 352.410 1.798 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000289731012 676172348 /nfs/dbraw/zinc/17/23/48/676172348.db2.gz XRAOGOAHJUNQNJ-LLVKDONJSA-N 0 3 373.431 1.388 20 5 FDBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000298221680 676442559 /nfs/dbraw/zinc/44/25/59/676442559.db2.gz GCSHIBRHKNTPBW-CABCVRRESA-N 0 3 352.391 1.081 20 5 FDBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000326414160 676582900 /nfs/dbraw/zinc/58/29/00/676582900.db2.gz LKFIESVPLCUJHM-UHFFFAOYSA-N 0 3 359.404 1.002 20 5 FDBDHN C[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000363818120 676974809 /nfs/dbraw/zinc/97/48/09/676974809.db2.gz GYEQIGGAFWYRCE-UBHSHLNASA-N 0 3 351.378 1.817 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377510146 678550788 /nfs/dbraw/zinc/55/07/88/678550788.db2.gz DWYDKHBWFWDQRK-YPMHNXCESA-N 0 3 353.350 1.092 20 5 FDBDHN COC1([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000412022765 679144700 /nfs/dbraw/zinc/14/47/00/679144700.db2.gz VIPLYUDKXUIWCH-SNVBAGLBSA-N 0 3 351.359 1.809 20 5 FDBDHN CCC(CC)[C@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[NH+](C)C ZINC000473952887 685350038 /nfs/dbraw/zinc/35/00/38/685350038.db2.gz RXKVJQUECKHZIF-LBPRGKRZSA-N 0 3 361.468 1.456 20 5 FDBDHN CCC(CC)[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[NH+](C)C ZINC000473952886 685350331 /nfs/dbraw/zinc/35/03/31/685350331.db2.gz RXKVJQUECKHZIF-GFCCVEGCSA-N 0 3 361.468 1.456 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000420459865 680463207 /nfs/dbraw/zinc/46/32/07/680463207.db2.gz MIPGLZUPMLPDIF-NWDGAFQWSA-N 0 3 353.425 1.690 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CCOC1 ZINC000420979635 680583769 /nfs/dbraw/zinc/58/37/69/680583769.db2.gz ZPMDFCBAPDKPJP-ZDUSSCGKSA-N 0 3 357.432 1.232 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000431072666 681106334 /nfs/dbraw/zinc/10/63/34/681106334.db2.gz GKIPDHIWVFFUEG-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN COC(=O)COc1ccc(CNCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441355159 682071508 /nfs/dbraw/zinc/07/15/08/682071508.db2.gz YNKGHWLXMWYVTE-XMMPIXPASA-N 0 3 356.400 1.147 20 5 FDBDHN CS[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000442560528 682158244 /nfs/dbraw/zinc/15/82/44/682158244.db2.gz WZTCFSJIVOYXPK-OLZOCXBDSA-N 0 3 352.416 1.037 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452362768 683060125 /nfs/dbraw/zinc/06/01/25/683060125.db2.gz LFGKBSJAMFYAOU-LBPRGKRZSA-N 0 3 353.444 1.893 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000475696057 685628267 /nfs/dbraw/zinc/62/82/67/685628267.db2.gz KZSNBLBIVSXJSB-UHFFFAOYSA-N 0 3 351.403 1.673 20 5 FDBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000458301243 684238563 /nfs/dbraw/zinc/23/85/63/684238563.db2.gz VVGRFPVASSZASB-UHFFFAOYSA-N 0 3 351.338 1.958 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000459479806 684412384 /nfs/dbraw/zinc/41/23/84/684412384.db2.gz OMPPOGIBHODOIE-BETUJISGSA-N 0 3 350.419 1.956 20 5 FDBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000459557168 684425100 /nfs/dbraw/zinc/42/51/00/684425100.db2.gz GZAWATPJSVTGQJ-QGZVFWFLSA-N 0 3 351.403 1.810 20 5 FDBDHN CCOc1ccc(NC(=O)CNC2(CO)CCSCC2)c([N+](=O)[O-])c1 ZINC000459715746 684449395 /nfs/dbraw/zinc/44/93/95/684449395.db2.gz QWHWQWYKQOPBEJ-UHFFFAOYSA-N 0 3 369.443 1.780 20 5 FDBDHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472602156 685226808 /nfs/dbraw/zinc/22/68/08/685226808.db2.gz UKMYNGSQOWGJFH-CYBMUJFWSA-N 0 3 352.366 1.615 20 5 FDBDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000478423858 685905888 /nfs/dbraw/zinc/90/58/88/685905888.db2.gz YCOHFTXMYJYRKT-LLVKDONJSA-N 0 3 353.404 1.132 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000487446516 686984608 /nfs/dbraw/zinc/98/46/08/686984608.db2.gz WNIKWXYJJUDMRD-NSHDSACASA-N 0 3 357.357 1.331 20 5 FDBDHN C[C@@H]1C[C@H]1N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000488748583 687056191 /nfs/dbraw/zinc/05/61/91/687056191.db2.gz CFHVRDUUSTVFNP-OUCADQQQSA-N 0 3 368.459 1.409 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(CCN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000515396688 689852479 /nfs/dbraw/zinc/85/24/79/689852479.db2.gz RCLVRHAZJXGUGT-UHFFFAOYSA-N 0 3 350.419 1.318 20 5 FDBDHN Nc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164865448 721103129 /nfs/dbraw/zinc/10/31/29/721103129.db2.gz LJOYIJYWTJYKOZ-HUUCEWRRSA-N 0 3 370.413 1.447 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000478126465 782601296 /nfs/dbraw/zinc/60/12/96/782601296.db2.gz SSPZTVWBFAZNSS-UHFFFAOYSA-N 0 3 360.374 1.449 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478461745 782711655 /nfs/dbraw/zinc/71/16/55/782711655.db2.gz QNIRIBKBRJHUIS-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000376267110 787075354 /nfs/dbraw/zinc/07/53/54/787075354.db2.gz RIJWVVFFFCZGHE-CQSZACIVSA-N 0 3 362.434 1.044 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000365582044 792033358 /nfs/dbraw/zinc/03/33/58/792033358.db2.gz UJAYQVWFLTXTMG-HZPDHXFCSA-N 0 3 371.397 1.374 20 5 FDBDHN C[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000893046706 792648633 /nfs/dbraw/zinc/64/86/33/792648633.db2.gz HFXUPSBULYDGJI-GUYCJALGSA-N 0 3 363.418 1.965 20 5 FDBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000500416211 796110865 /nfs/dbraw/zinc/11/08/65/796110865.db2.gz UIQYAEHUFFJSAI-HNNXBMFYSA-N 0 3 374.401 1.148 20 5 FDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729507655 820078949 /nfs/dbraw/zinc/07/89/49/820078949.db2.gz ZHOMVNDALGFKSC-KBPBESRZSA-N 0 3 363.418 1.169 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448915492 829297968 /nfs/dbraw/zinc/29/79/68/829297968.db2.gz ZZAAJYRHPRZDEL-HNNXBMFYSA-N 0 3 373.413 1.621 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520331991 830932262 /nfs/dbraw/zinc/93/22/62/830932262.db2.gz SCLSUKHOGDKAOC-WCQYABFASA-N 0 3 362.386 1.145 20 5 FDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1O ZINC000461884777 843204582 /nfs/dbraw/zinc/20/45/82/843204582.db2.gz RYOMHHYGEMFTBA-HOTGVXAUSA-N 0 3 358.398 1.680 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000899923568 846878882 /nfs/dbraw/zinc/87/88/82/846878882.db2.gz INPVMEAEUNNANL-HZPDHXFCSA-N 0 3 370.413 1.543 20 5 FDBDHN Cc1oc(-c2ccsc2)nc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939368 848694645 /nfs/dbraw/zinc/69/46/45/848694645.db2.gz VPGPXDOTXXUBOT-DGCLKSJQSA-N 0 3 350.400 1.583 20 5 FDBDHN CNC(=O)C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483425249 849565392 /nfs/dbraw/zinc/56/53/92/849565392.db2.gz HMISTVYDQASPFN-CVEARBPZSA-N 0 3 373.409 1.802 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000908199034 855179181 /nfs/dbraw/zinc/17/91/81/855179181.db2.gz BSWPRVDYEDLYHI-LURJTMIESA-N 0 3 354.165 1.693 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000908398665 855381523 /nfs/dbraw/zinc/38/15/23/855381523.db2.gz FDZORVQSNJATFB-UHFFFAOYSA-N 0 3 367.837 1.150 20 5 FDBDHN CN(CCO)CCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000912605472 859947373 /nfs/dbraw/zinc/94/73/73/859947373.db2.gz VCCPYUXJXIJNNH-UHFFFAOYSA-N 0 3 361.851 1.723 20 5 FDBDHN CNc1nc(C(=O)N2CCN(c3ccncc3OC)CC2)ccc1[N+](=O)[O-] ZINC000456009421 866623331 /nfs/dbraw/zinc/62/33/31/866623331.db2.gz AZRVBFDDHPIBOE-UHFFFAOYSA-N 0 3 372.385 1.398 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000456335159 866857768 /nfs/dbraw/zinc/85/77/68/866857768.db2.gz MQKJZXHSMZZEAZ-AWEZNQCLSA-N 0 3 358.402 1.167 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000457893500 867751653 /nfs/dbraw/zinc/75/16/53/867751653.db2.gz BCJKABJTKDEBEJ-OAHLLOKOSA-N 0 3 366.418 1.249 20 5 FDBDHN COC(=O)C1CCN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000917068983 882918546 /nfs/dbraw/zinc/91/85/46/882918546.db2.gz KYRBPTDVNUXCPR-UHFFFAOYSA-N 0 3 361.402 1.930 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000915623447 877136285 /nfs/dbraw/zinc/13/62/85/877136285.db2.gz WOEMVNRZDNJBAV-HNNXBMFYSA-N 0 3 363.414 1.977 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000497736865 883591886 /nfs/dbraw/zinc/59/18/86/883591886.db2.gz FFAFFHIEOKIJSE-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272798624 886646676 /nfs/dbraw/zinc/64/66/76/886646676.db2.gz UQDJIPSCNSGIEW-OLZOCXBDSA-N 0 3 360.414 1.480 20 5 FDBDHN CC(C)(C)c1cnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996439158 903888281 /nfs/dbraw/zinc/88/82/81/903888281.db2.gz CKPFVOBLFAOLPF-CHWSQXEVSA-N 0 3 350.419 1.718 20 5 FDBDHN CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086363539 926830381 /nfs/dbraw/zinc/83/03/81/926830381.db2.gz ZZRYHDFMKOOVAM-DDHJBXDOSA-N 0 3 353.448 1.311 20 5 FDBDHN Cn1c2cc(NC[C@H]3CN4CCC[C@H]4CO3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804397445 938422924 /nfs/dbraw/zinc/42/29/24/938422924.db2.gz XZVNCVPGIYAKIA-RYUDHWBXSA-N 0 3 361.402 1.060 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804557821 938469252 /nfs/dbraw/zinc/46/92/52/938469252.db2.gz JEZGOHZQJZFFNG-AWEZNQCLSA-N 0 3 363.374 1.246 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804566257 938472854 /nfs/dbraw/zinc/47/28/54/938472854.db2.gz ABHYZSKRWZVATC-CQSZACIVSA-N 0 3 363.374 1.422 20 5 FDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000810049087 940941224 /nfs/dbraw/zinc/94/12/24/940941224.db2.gz RYVODPRKPPYYDM-UHFFFAOYSA-N 0 3 360.388 1.432 20 5 FDBDHN COc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(OC)c1 ZINC000813102329 941325908 /nfs/dbraw/zinc/32/59/08/941325908.db2.gz PSRMGAXKCPAYPH-QWRGUYRKSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813102778 941325992 /nfs/dbraw/zinc/32/59/92/941325992.db2.gz VJJJHRVERYBNSI-SECBINFHSA-N 0 3 350.780 1.217 20 5 FDBDHN COc1ccccc1-n1c(C)nnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104942 941326585 /nfs/dbraw/zinc/32/65/85/941326585.db2.gz TXAYTLTULBWIPX-SNVBAGLBSA-N 0 3 366.399 1.885 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110918 941334653 /nfs/dbraw/zinc/33/46/53/941334653.db2.gz LYXZZUZZQLWGTJ-ZDUSSCGKSA-N 0 3 370.427 1.992 20 5 FDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000813113253 941335738 /nfs/dbraw/zinc/33/57/38/941335738.db2.gz XZPKYLHCLAQBIG-CYBMUJFWSA-N 0 3 370.427 1.992 20 5 FDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000813113901 941336267 /nfs/dbraw/zinc/33/62/67/941336267.db2.gz KLVCGKMMSXXJOB-MRVPVSSYSA-N 0 3 356.285 1.999 20 5 FDBDHN CC(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[N+](=O)[O-] ZINC000813114202 941336290 /nfs/dbraw/zinc/33/62/90/941336290.db2.gz NGWAMAYVSOSKTK-VIFPVBQESA-N 0 3 362.791 1.702 20 5 FDBDHN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625415 941921585 /nfs/dbraw/zinc/92/15/85/941921585.db2.gz CSMVKCJNJYSYTQ-AAEUAGOBSA-N 0 3 356.448 1.642 20 5 FDBDHN O=C(Cc1cccc(F)c1)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989758 943374602 /nfs/dbraw/zinc/37/46/02/943374602.db2.gz DBEDRMBUHXREAS-KRWDZBQOSA-N 0 3 361.373 1.716 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000820465720 944060224 /nfs/dbraw/zinc/06/02/24/944060224.db2.gz OJTHOQDFJGCOFR-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000821051809 944337579 /nfs/dbraw/zinc/33/75/79/944337579.db2.gz GZGAKKAZGZFBEZ-OAHLLOKOSA-N 0 3 353.394 1.630 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000822469053 945014249 /nfs/dbraw/zinc/01/42/49/945014249.db2.gz QQPUTNNBZZJLAV-UHFFFAOYSA-N 0 3 351.432 1.752 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000823857199 946052045 /nfs/dbraw/zinc/05/20/45/946052045.db2.gz NYLHILQODNTYCE-UHFFFAOYSA-N 0 3 366.443 1.163 20 5 FDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824298010 946324058 /nfs/dbraw/zinc/32/40/58/946324058.db2.gz OSQPFCDXAQNTJX-NWDGAFQWSA-N 0 3 353.806 1.458 20 5 FDBDHN CC([C@@H](OC(=O)CCCN1C(=O)CNC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872719 950042772 /nfs/dbraw/zinc/04/27/72/950042772.db2.gz MRJRLBAEBXLCQY-ZUZCIYMTSA-N 0 3 367.333 1.407 20 5 FDBDHN CC([C@H](OC(=O)CCCN1C(=O)CNC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872717 950043402 /nfs/dbraw/zinc/04/34/02/950043402.db2.gz MRJRLBAEBXLCQY-BONVTDFDSA-N 0 3 367.333 1.407 20 5 FDBDHN CC([C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878069 950051065 /nfs/dbraw/zinc/05/10/65/950051065.db2.gz TUSNRWKPTDQFEI-YMTOWFKASA-N 0 3 352.278 1.880 20 5 FDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000774536193 962426966 /nfs/dbraw/zinc/42/69/66/962426966.db2.gz KAZSTXUOXWNJIH-OLZOCXBDSA-N 0 3 370.431 1.786 20 5 FDBDHN C[C@@H]1C[C@@H](O)CN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697708 962587567 /nfs/dbraw/zinc/58/75/67/962587567.db2.gz VVMOMBCQSLMVTB-TZMCWYRMSA-N 0 3 369.443 1.203 20 5 FDBDHN COc1c([O-])ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC001183024816 962771896 /nfs/dbraw/zinc/77/18/96/962771896.db2.gz PJAAFVVRTRGVCL-KRWDZBQOSA-N 0 3 354.403 1.966 20 5 FDBDHN COc1c(O)ccc(CNCC(C)(C)[C@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC001183024816 962771907 /nfs/dbraw/zinc/77/19/07/962771907.db2.gz PJAAFVVRTRGVCL-KRWDZBQOSA-N 0 3 354.403 1.966 20 5 FDBDHN CO[C@H]1CC[C@@H](N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852184194 967067617 /nfs/dbraw/zinc/06/76/17/967067617.db2.gz IARSDEJWQZAFHR-KGLIPLIRSA-N 0 3 357.432 1.372 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852435479 967304510 /nfs/dbraw/zinc/30/45/10/967304510.db2.gz PEZVXGNJOVRAHN-CQSZACIVSA-N 0 3 362.386 1.758 20 5 FDBDHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852559533 967424630 /nfs/dbraw/zinc/42/46/30/967424630.db2.gz JJHRJSRAXQCCSH-RHSMWYFYSA-N 0 3 362.430 1.089 20 5 FDBDHN O=C(CN[C@@H]1C[C@@H](O)C12CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852584825 967447127 /nfs/dbraw/zinc/44/71/27/967447127.db2.gz RUURGJDBVZEZSK-IAGOWNOFSA-N 0 3 374.441 1.137 20 5 FDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853685260 968249442 /nfs/dbraw/zinc/24/94/42/968249442.db2.gz FTXFMAYDHGSPJV-CQSZACIVSA-N 0 3 358.345 1.981 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000865060349 974047343 /nfs/dbraw/zinc/04/73/43/974047343.db2.gz QDDUAYPUAVQVCF-DLBZAZTESA-N 0 3 359.426 1.996 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865802037 974505399 /nfs/dbraw/zinc/50/53/99/974505399.db2.gz JBYISKLKTJZNMW-AWEZNQCLSA-N 0 3 366.437 1.666 20 5 FDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776276723 975290393 /nfs/dbraw/zinc/29/03/93/975290393.db2.gz JHJWIFLTHVQWAX-GVDBMIGSSA-N 0 3 350.415 1.880 20 5 FDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000866296699 975539110 /nfs/dbraw/zinc/53/91/10/975539110.db2.gz DMROTMAMLJHBNQ-NHYWBVRUSA-N 0 3 361.377 1.794 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000867623311 976528147 /nfs/dbraw/zinc/52/81/47/976528147.db2.gz DSUOXWKPAVOREB-UHFFFAOYSA-N 0 3 362.430 1.464 20 5 FDBDHN C[NH+](C)C1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000848583199 976914135 /nfs/dbraw/zinc/91/41/35/976914135.db2.gz QDPFHNHEGXWJHD-UHFFFAOYSA-N 0 3 373.356 1.793 20 5 FDBDHN NC(=O)[C@@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000851883172 979156960 /nfs/dbraw/zinc/15/69/60/979156960.db2.gz PDUJCRNNXLSLNV-LJQANCHMSA-N 0 3 355.394 1.932 20 5 FDBDHN COC[C@]1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000857768379 981679537 /nfs/dbraw/zinc/67/95/37/981679537.db2.gz PCFPHMRBSFQVTO-CQSZACIVSA-N 0 3 359.329 1.451 20 5 FDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000861344228 983695055 /nfs/dbraw/zinc/69/50/55/983695055.db2.gz NKGABEPFIJXKCL-PBHICJAKSA-N 0 3 362.386 1.597 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466791745 984620524 /nfs/dbraw/zinc/62/05/24/984620524.db2.gz RUGCSRLHFHSCDW-KDOFPFPSSA-N 0 3 373.457 1.909 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885881799 985746750 /nfs/dbraw/zinc/74/67/50/985746750.db2.gz AJLWUIKQDZKIRD-OAHLLOKOSA-N 0 3 363.414 1.652 20 5 FDBDHN COC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886916750 986736815 /nfs/dbraw/zinc/73/68/15/986736815.db2.gz ZMJQSGOPWPRYDG-ZFWWWQNUSA-N 0 3 352.387 1.913 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000369730860 989127304 /nfs/dbraw/zinc/12/73/04/989127304.db2.gz RUGSVRWDYNEAQG-ZDUSSCGKSA-N 0 3 365.434 1.202 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000363955225 989466965 /nfs/dbraw/zinc/46/69/65/989466965.db2.gz ZEILPPXAEJRJMA-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000370502443 989792668 /nfs/dbraw/zinc/79/26/68/989792668.db2.gz DXLBARIJLKHJMF-GFCCVEGCSA-N 0 3 359.386 1.606 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000298247712 989987802 /nfs/dbraw/zinc/98/78/02/989987802.db2.gz WKNJTKMDMFJOPJ-DOTOQJQBSA-N 0 3 355.398 1.934 20 5 FDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000365205527 990104091 /nfs/dbraw/zinc/10/40/91/990104091.db2.gz CJPOEVSWRFRIMZ-CQSZACIVSA-N 0 3 361.446 1.277 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372368758 991047695 /nfs/dbraw/zinc/04/76/95/991047695.db2.gz WGZDJACFPIDJPT-GUYCJALGSA-N 0 3 361.446 1.396 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000876470476 992627208 /nfs/dbraw/zinc/62/72/08/992627208.db2.gz VFEWRONKSDUBGK-INIZCTEOSA-N 0 3 371.821 1.667 20 5 FDBDHN CCc1ccc(C(=O)N2CCOC[C@]2(COC)CN(C)C)cc1[N+](=O)[O-] ZINC000876473697 992641538 /nfs/dbraw/zinc/64/15/38/992641538.db2.gz RTRXRYAWGPZPRU-GOSISDBHSA-N 0 3 365.430 1.576 20 5 FDBDHN CN1CC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879579647 995037691 /nfs/dbraw/zinc/03/76/91/995037691.db2.gz APWGHGLYHUVLJF-BBRMVZONSA-N 0 3 353.444 1.395 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889764562 998620407 /nfs/dbraw/zinc/62/04/07/998620407.db2.gz XSMPYHOFIOFCRO-DLBZAZTESA-N 0 3 370.409 1.814 20 5 FDBDHN CN(CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000889768454 998628044 /nfs/dbraw/zinc/62/80/44/998628044.db2.gz NOAHMCPNEQVICS-CVEARBPZSA-N 0 3 362.430 1.089 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889774283 998642684 /nfs/dbraw/zinc/64/26/84/998642684.db2.gz NTXKPQSATGCXGD-HUUCEWRRSA-N 0 3 363.414 1.421 20 5 FDBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267443657 999336849 /nfs/dbraw/zinc/33/68/49/999336849.db2.gz POGYKUXRPSMWMM-DZGCQCFKSA-N 0 3 366.414 1.998 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927643696 1000962457 /nfs/dbraw/zinc/96/24/57/1000962457.db2.gz ZXIHKZQNIGHASD-INIZCTEOSA-N 0 3 362.430 1.990 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000930983885 1003741045 /nfs/dbraw/zinc/74/10/45/1003741045.db2.gz VEIQSIPIHHLAQD-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932700671 1005108112 /nfs/dbraw/zinc/10/81/12/1005108112.db2.gz BYRITYOPGZPYFG-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC000953926729 1012885268 /nfs/dbraw/zinc/88/52/68/1012885268.db2.gz DBXKETKHFSGPGY-HZPDHXFCSA-N 0 3 371.397 1.063 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192053849 178088670 /nfs/dbraw/zinc/08/86/70/178088670.db2.gz OQSQMWKUYCRHLW-HRCADAONSA-N 0 3 366.805 1.925 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192565231 178120245 /nfs/dbraw/zinc/12/02/45/178120245.db2.gz NOMWRBAHOXEWMS-UHFFFAOYSA-N 0 3 352.439 1.110 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000246062841 178397837 /nfs/dbraw/zinc/39/78/37/178397837.db2.gz YNNXAEYGJYKUJQ-JKSUJKDBSA-N 0 3 367.471 1.883 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000517266175 539359372 /nfs/dbraw/zinc/35/93/72/539359372.db2.gz NNVMXZIAPWVQBB-LBPRGKRZSA-N 0 3 366.418 1.777 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000263956052 179004131 /nfs/dbraw/zinc/00/41/31/179004131.db2.gz CGQXCBNTCSBTAB-BBRMVZONSA-N 0 3 362.430 1.574 20 5 FDBDHN Cc1c(C(=O)NC[C@H]2CCN(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264591467 179142340 /nfs/dbraw/zinc/14/23/40/179142340.db2.gz AGQIZKNSGVFYRI-CYBMUJFWSA-N 0 3 370.413 1.698 20 5 FDBDHN Cc1nn(C)c(NCc2ccc(CN3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000265154210 179300870 /nfs/dbraw/zinc/30/08/70/179300870.db2.gz UERAEFGSXPSLQZ-UHFFFAOYSA-N 0 3 358.446 1.996 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265391501 179363196 /nfs/dbraw/zinc/36/31/96/179363196.db2.gz MFKLNUCOSKHJOS-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1cc(CCNC(=O)[C@H](N)CCSC)c([N+](=O)[O-])cc1OC ZINC000269051716 180206264 /nfs/dbraw/zinc/20/62/64/180206264.db2.gz QMQVYWBFDWWXPU-LLVKDONJSA-N 0 3 357.432 1.351 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000269145821 180226392 /nfs/dbraw/zinc/22/63/92/180226392.db2.gz PCYAZBNJZXBKRP-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274284130 181062804 /nfs/dbraw/zinc/06/28/04/181062804.db2.gz PJPPHUWIMWAXGK-UHFFFAOYSA-N 0 3 366.418 1.235 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000274500330 181108262 /nfs/dbraw/zinc/10/82/62/181108262.db2.gz JBTMCTQYVZSEOD-HNNXBMFYSA-N 0 3 368.455 1.933 20 5 FDBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540175404 541031263 /nfs/dbraw/zinc/03/12/63/541031263.db2.gz HITHOQRNWHTPPG-CQSZACIVSA-N 0 3 371.459 1.668 20 5 FDBDHN COc1ccc(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542035634 541323244 /nfs/dbraw/zinc/32/32/44/541323244.db2.gz LMNCQAUIJRNQBA-CQSZACIVSA-N 0 3 366.418 1.818 20 5 FDBDHN CN(CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccncc1 ZINC000543713563 541643327 /nfs/dbraw/zinc/64/33/27/541643327.db2.gz NTGXPJLKBACFIE-AWEZNQCLSA-N 0 3 370.413 1.924 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544677330 541807553 /nfs/dbraw/zinc/80/75/53/541807553.db2.gz DEEXBNNJWMRKLE-UHFFFAOYSA-N 0 3 353.398 1.835 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089725 182361948 /nfs/dbraw/zinc/36/19/48/182361948.db2.gz LXDXRYHUAHIQSH-UHFFFAOYSA-N 0 3 351.407 1.572 20 5 FDBDHN COC(=O)c1cc(C)nc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000286222138 183017691 /nfs/dbraw/zinc/01/76/91/183017691.db2.gz SWXSSAMUAULBOQ-UHFFFAOYSA-N 0 3 351.407 1.134 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286260871 183025918 /nfs/dbraw/zinc/02/59/18/183025918.db2.gz GPNUBAZCTOGAQA-YPMHNXCESA-N 0 3 354.432 1.305 20 5 FDBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546570649 542167875 /nfs/dbraw/zinc/16/78/75/542167875.db2.gz CZSGMEQAVKQASN-INIZCTEOSA-N 0 3 369.443 1.130 20 5 FDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000287331163 183265108 /nfs/dbraw/zinc/26/51/08/183265108.db2.gz VNWVYDAYRYDWNN-GUYCJALGSA-N 0 3 370.413 1.874 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296643662 184186341 /nfs/dbraw/zinc/18/63/41/184186341.db2.gz VODFWYYITOSVHJ-NSHDSACASA-N 0 3 352.366 1.581 20 5 FDBDHN CCN1CCN(CCNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296653325 184187428 /nfs/dbraw/zinc/18/74/28/184187428.db2.gz XQCLLNVGLSNDRL-UHFFFAOYSA-N 0 3 350.419 1.360 20 5 FDBDHN C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@@H]1C ZINC000296916264 184214302 /nfs/dbraw/zinc/21/43/02/184214302.db2.gz KMYOQWCDVNBZTR-ZNMIVQPWSA-N 0 3 361.446 1.900 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C(N)=O)C(C)C ZINC000297727497 184317489 /nfs/dbraw/zinc/31/74/89/184317489.db2.gz SEUNESGLTMCECU-MRXNPFEDSA-N 0 3 352.391 1.422 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000298039396 184380362 /nfs/dbraw/zinc/38/03/62/184380362.db2.gz GNZLEYLFYTUALL-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN CC(C)CN1CCO[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548764483 542773817 /nfs/dbraw/zinc/77/38/17/542773817.db2.gz RWAFBMNMOFSJKM-OAHLLOKOSA-N 0 3 364.446 1.870 20 5 FDBDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000549800771 542943641 /nfs/dbraw/zinc/94/36/41/542943641.db2.gz YIVLNASTQVAVSP-QGZVFWFLSA-N 0 3 373.409 1.826 20 5 FDBDHN CSc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552077418 543415320 /nfs/dbraw/zinc/41/53/20/543415320.db2.gz IXUQYULSQCSJAZ-JTQLQIEISA-N 0 3 354.432 1.113 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000085455763 172218330 /nfs/dbraw/zinc/21/83/30/172218330.db2.gz FXUPJCBWKICXLZ-CHWSQXEVSA-N 0 3 350.419 1.796 20 5 FDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000090538038 172266235 /nfs/dbraw/zinc/26/62/35/172266235.db2.gz QUQYZSGSYBBUMC-LBPRGKRZSA-N 0 3 367.431 1.392 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101540004 172333457 /nfs/dbraw/zinc/33/34/57/172333457.db2.gz HPHPORVBDNBNKB-AWEZNQCLSA-N 0 3 365.390 1.858 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126077476 173027806 /nfs/dbraw/zinc/02/78/06/173027806.db2.gz RCXMFGWHDWOUFU-ZBEGNZNMSA-N 0 3 358.398 1.849 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000128020094 173096934 /nfs/dbraw/zinc/09/69/34/173096934.db2.gz DPPYRIYOPQCBIM-UHFFFAOYSA-N 0 3 357.414 1.834 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1Cc1ccccc1 ZINC000137464664 173370790 /nfs/dbraw/zinc/37/07/90/173370790.db2.gz PZEQARIGTZNRAJ-GDBMZVCRSA-N 0 3 370.409 1.536 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000151283572 173396170 /nfs/dbraw/zinc/39/61/70/173396170.db2.gz JDMPELQQCDSBFG-MRXNPFEDSA-N 0 3 372.429 1.755 20 5 FDBDHN CCN1CCN([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000175582982 174013300 /nfs/dbraw/zinc/01/33/00/174013300.db2.gz SUCJKHVCNZAFHK-HNNXBMFYSA-N 0 3 359.430 1.948 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175822579 174030696 /nfs/dbraw/zinc/03/06/96/174030696.db2.gz DXEQUCMNHIRLHP-SNPRPXQTSA-N 0 3 366.443 1.802 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000177837570 174160097 /nfs/dbraw/zinc/16/00/97/174160097.db2.gz FNSITDCEEINYOQ-DZGCQCFKSA-N 0 3 362.430 1.491 20 5 FDBDHN COc1ccc(OCCN2CCC[C@@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000173580882 258304250 /nfs/dbraw/zinc/30/42/50/258304250.db2.gz FDDQMYWERAGNEJ-AWEZNQCLSA-N 0 3 351.403 1.830 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000178978846 258341648 /nfs/dbraw/zinc/34/16/48/258341648.db2.gz LFYLKHQJYVOVMD-NHYWBVRUSA-N 0 3 357.432 1.789 20 5 FDBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000193886896 258394101 /nfs/dbraw/zinc/39/41/01/258394101.db2.gz YUEYMQLJZGUXND-MRXNPFEDSA-N 0 3 363.418 1.715 20 5 FDBDHN Cc1nn(CCC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000554128385 543749324 /nfs/dbraw/zinc/74/93/24/543749324.db2.gz JENDIFWFURUNKV-HEHGZKQESA-N 0 3 363.462 1.987 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000554694229 543854679 /nfs/dbraw/zinc/85/46/79/543854679.db2.gz FQUZBOSOVBAWMI-UHFFFAOYSA-N 0 3 360.418 1.475 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000555915354 544054524 /nfs/dbraw/zinc/05/45/24/544054524.db2.gz HYRFXIYWEMTQJO-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288727145 258777140 /nfs/dbraw/zinc/77/71/40/258777140.db2.gz FZERQCXFONOIME-LBPRGKRZSA-N 0 3 366.418 1.779 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000299474462 259000057 /nfs/dbraw/zinc/00/00/57/259000057.db2.gz YTXIXOBHCWLBRV-GOSISDBHSA-N 0 3 360.414 1.786 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000299571310 259007322 /nfs/dbraw/zinc/00/73/22/259007322.db2.gz UGBBSVMNRWDNJP-GOSISDBHSA-N 0 3 369.425 1.886 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCN1CCc2ccccc2C1 ZINC000301110466 259021291 /nfs/dbraw/zinc/02/12/91/259021291.db2.gz URMAHPMTRDBBKE-UHFFFAOYSA-N 0 3 355.398 1.949 20 5 FDBDHN Cc1nn(C)c(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301271500 259024826 /nfs/dbraw/zinc/02/48/26/259024826.db2.gz JVAXBNXRXNCOGU-BETUJISGSA-N 0 3 351.451 1.962 20 5 FDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3[C@H]4CCCCN4C[C@H]3C2)s1 ZINC000301933860 259036099 /nfs/dbraw/zinc/03/60/99/259036099.db2.gz NRMKWIQUEWWIKV-SDDRHHMPSA-N 0 3 371.484 1.980 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302891280 259047588 /nfs/dbraw/zinc/04/75/88/259047588.db2.gz PNEJAYLFNGVMDF-UHFFFAOYSA-N 0 3 359.430 1.307 20 5 FDBDHN Cc1nn(CCC(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000330534415 259149388 /nfs/dbraw/zinc/14/93/88/259149388.db2.gz DARHMAXWPKJBEI-CYBMUJFWSA-N 0 3 351.451 1.987 20 5 FDBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000330602884 259153122 /nfs/dbraw/zinc/15/31/22/259153122.db2.gz HNLVXEIDFREIGK-CHWSQXEVSA-N 0 3 357.432 1.553 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000330952678 259170843 /nfs/dbraw/zinc/17/08/43/259170843.db2.gz LHYHXWPIIGIROI-WXHSDQCUSA-N 0 3 352.439 1.426 20 5 FDBDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000331295026 259185782 /nfs/dbraw/zinc/18/57/82/259185782.db2.gz YGEQRYAAXMRMCJ-UHFFFAOYSA-N 0 3 370.475 1.241 20 5 FDBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332277014 259254409 /nfs/dbraw/zinc/25/44/09/259254409.db2.gz JZZRIEADAPDCPP-GJZGRUSLSA-N 0 3 374.441 1.752 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363887382 259677846 /nfs/dbraw/zinc/67/78/46/259677846.db2.gz KWAATDAZFBELLX-CQSZACIVSA-N 0 3 355.398 1.919 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000367295076 260021924 /nfs/dbraw/zinc/02/19/24/260021924.db2.gz GTAPXXIXXSFJPH-MRXNPFEDSA-N 0 3 350.394 1.648 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367446472 260043075 /nfs/dbraw/zinc/04/30/75/260043075.db2.gz FFCNWKAUWOPNSO-RDTXWAMCSA-N 0 3 358.398 1.131 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367953039 260114609 /nfs/dbraw/zinc/11/46/09/260114609.db2.gz YCUNGDFLKDHLDP-KGLIPLIRSA-N 0 3 355.341 1.666 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367950891 260114830 /nfs/dbraw/zinc/11/48/30/260114830.db2.gz OMICLKDVUNJXDJ-GHMZBOCLSA-N 0 3 363.399 1.193 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368630947 260212208 /nfs/dbraw/zinc/21/22/08/260212208.db2.gz FZPLZLCGFXVMPU-GFCCVEGCSA-N 0 3 359.379 1.163 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000369009725 260276455 /nfs/dbraw/zinc/27/64/55/260276455.db2.gz LAFRZTWQAURGGB-UHFFFAOYSA-N 0 3 350.419 1.070 20 5 FDBDHN O=C(CCN1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369067556 260290413 /nfs/dbraw/zinc/29/04/13/260290413.db2.gz VBADUIDIYZEKCD-HNNXBMFYSA-N 0 3 360.414 1.914 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369163067 260306011 /nfs/dbraw/zinc/30/60/11/260306011.db2.gz LAMAKPRTVQDOKA-HNNXBMFYSA-N 0 3 358.402 1.215 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000371358411 260697924 /nfs/dbraw/zinc/69/79/24/260697924.db2.gz AMKIHTSLQUZVBA-GUYCJALGSA-N 0 3 364.421 1.832 20 5 FDBDHN C[C@H](CO)N1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000373741603 261036128 /nfs/dbraw/zinc/03/61/28/261036128.db2.gz MEASRVHRIOHZNI-CYBMUJFWSA-N 0 3 361.402 1.533 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN([C@H](C)CO)CC2)c1 ZINC000373938485 261053771 /nfs/dbraw/zinc/05/37/71/261053771.db2.gz LZJILCOWQOPIQZ-OAHLLOKOSA-N 0 3 365.430 1.587 20 5 FDBDHN CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2n[n-]cc2[N+](=O)[O-])C1 ZINC000374936608 261231117 /nfs/dbraw/zinc/23/11/17/261231117.db2.gz OCYUBVSEFBXUCG-UHFFFAOYSA-N 0 3 359.386 1.699 20 5 FDBDHN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2n[n-]cc2[N+](=O)[O-])C1 ZINC000374936608 261231119 /nfs/dbraw/zinc/23/11/19/261231119.db2.gz OCYUBVSEFBXUCG-UHFFFAOYSA-N 0 3 359.386 1.699 20 5 FDBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000374936608 261231120 /nfs/dbraw/zinc/23/11/20/261231120.db2.gz OCYUBVSEFBXUCG-UHFFFAOYSA-N 0 3 359.386 1.699 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375038512 261254200 /nfs/dbraw/zinc/25/42/00/261254200.db2.gz LJUUDOGFKGDHPL-HZMBPMFUSA-N 0 3 364.358 1.820 20 5 FDBDHN CC1(CN2CCOCC2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000378431228 262024368 /nfs/dbraw/zinc/02/43/68/262024368.db2.gz FCJPHDHTWUAAAX-UHFFFAOYSA-N 0 3 364.446 1.191 20 5 FDBDHN CS[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000270668818 674247615 /nfs/dbraw/zinc/24/76/15/674247615.db2.gz QSQSPMANIHTTFX-HOTGVXAUSA-N 0 3 364.471 1.461 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271315739 674333699 /nfs/dbraw/zinc/33/36/99/674333699.db2.gz MZWIBDKFVVCXCK-UHFFFAOYSA-N 0 3 353.404 1.250 20 5 FDBDHN CCOc1ccc([C@H](C)NCCOCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271469649 674345731 /nfs/dbraw/zinc/34/57/31/674345731.db2.gz IQXPSISNHAKUSU-LBPRGKRZSA-N 0 3 360.432 1.705 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327349 518687857 /nfs/dbraw/zinc/68/78/57/518687857.db2.gz LLWSSGVGWYGLIM-UHFFFAOYSA-N 0 3 354.432 1.542 20 5 FDBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CCN(C2CC2)CC1 ZINC000029093290 519266634 /nfs/dbraw/zinc/26/66/34/519266634.db2.gz BCNRPHXJMXWAKC-UHFFFAOYSA-N 0 3 374.397 1.063 20 5 FDBDHN CN1CCN(CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029619295 519304973 /nfs/dbraw/zinc/30/49/73/519304973.db2.gz YVPWGYPTDFKDBO-UHFFFAOYSA-N 0 3 370.475 1.438 20 5 FDBDHN CC[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000032447619 519505471 /nfs/dbraw/zinc/50/54/71/519505471.db2.gz MMMRGLCUAXUTGL-INIZCTEOSA-N 0 3 357.414 1.744 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000041321449 519651793 /nfs/dbraw/zinc/65/17/93/519651793.db2.gz ZWCAOPMKJYLIIZ-CQSZACIVSA-N 0 3 350.419 1.934 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000069577989 521919135 /nfs/dbraw/zinc/91/91/35/521919135.db2.gz SKJZELAWGCSEEC-AWEZNQCLSA-N 0 3 351.403 1.834 20 5 FDBDHN O=C(C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000046056773 522215712 /nfs/dbraw/zinc/21/57/12/522215712.db2.gz GKMRTQSRRKIUBG-UHFFFAOYSA-N 0 3 363.414 1.544 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000060380150 522371500 /nfs/dbraw/zinc/37/15/00/522371500.db2.gz IGQIFPYVGLGZOX-CQSZACIVSA-N 0 3 363.462 1.640 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073900204 522631351 /nfs/dbraw/zinc/63/13/51/522631351.db2.gz PZXZTGVACUWAQR-OAHLLOKOSA-N 0 3 363.462 1.668 20 5 FDBDHN CC[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000048321561 522714439 /nfs/dbraw/zinc/71/44/39/522714439.db2.gz CNCDTSFMZHIGDB-OAHLLOKOSA-N 0 3 358.402 1.139 20 5 FDBDHN C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074655247 522807997 /nfs/dbraw/zinc/80/79/97/522807997.db2.gz BVFHSFGQPURQGD-OAHLLOKOSA-N 0 3 363.462 1.320 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000075061490 522873509 /nfs/dbraw/zinc/87/35/09/522873509.db2.gz KHGRCUGTRQRYEY-OLZOCXBDSA-N 0 3 350.375 1.977 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676527 522955077 /nfs/dbraw/zinc/95/50/77/522955077.db2.gz QEAWLPASDWLMSM-DZKIICNBSA-N 0 3 367.450 1.169 20 5 FDBDHN CCN1CCC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000052593835 523212898 /nfs/dbraw/zinc/21/28/98/523212898.db2.gz UVFSHXDJSNXCEJ-OAHLLOKOSA-N 0 3 361.446 1.911 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cn1 ZINC000067149612 523338191 /nfs/dbraw/zinc/33/81/91/523338191.db2.gz GXHFWVVDNFAJCI-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055401118 523806159 /nfs/dbraw/zinc/80/61/59/523806159.db2.gz FQJTVADJAOSMSK-UONOGXRCSA-N 0 3 362.430 1.561 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCN(C)CC1 ZINC000080879892 523910879 /nfs/dbraw/zinc/91/08/79/523910879.db2.gz UVSUDPQBSBWMTP-GFCCVEGCSA-N 0 3 353.444 1.648 20 5 FDBDHN Cc1nn(C)c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000111101153 524201945 /nfs/dbraw/zinc/20/19/45/524201945.db2.gz SKFXXHYYTZSOHN-UHFFFAOYSA-N 0 3 365.434 1.402 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000111588443 524305786 /nfs/dbraw/zinc/30/57/86/524305786.db2.gz PPESXGMSUPOJTF-UHFFFAOYSA-N 0 3 370.369 1.447 20 5 FDBDHN C[C@@H](NC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000157968231 524376224 /nfs/dbraw/zinc/37/62/24/524376224.db2.gz XQRZKWRGYVESHA-CYBMUJFWSA-N 0 3 373.413 1.948 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000121939201 524412900 /nfs/dbraw/zinc/41/29/00/524412900.db2.gz IURHDENLCQKNRN-ZDUSSCGKSA-N 0 3 350.419 1.217 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000150872523 524499425 /nfs/dbraw/zinc/49/94/25/524499425.db2.gz KTEJXIYFBSWUAL-AWEZNQCLSA-N 0 3 373.475 1.847 20 5 FDBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112549700 524504918 /nfs/dbraw/zinc/50/49/18/524504918.db2.gz IPFFBHRFJREMDD-YPMHNXCESA-N 0 3 358.402 1.735 20 5 FDBDHN O=C(C[C@H]1CSCCN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174437465 524576848 /nfs/dbraw/zinc/57/68/48/524576848.db2.gz FYCZHKRPMSZLFV-ZDUSSCGKSA-N 0 3 350.444 1.339 20 5 FDBDHN CC(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000112914835 524590030 /nfs/dbraw/zinc/59/00/30/524590030.db2.gz ZXJFKWOXOBSDTP-INIZCTEOSA-N 0 3 374.445 1.473 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000151676065 524650573 /nfs/dbraw/zinc/65/05/73/524650573.db2.gz LDWVCDJLQXGTMS-KRWDZBQOSA-N 0 3 372.429 1.928 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OCc3ccccc3)CC2)c1 ZINC000174700167 524695990 /nfs/dbraw/zinc/69/59/90/524695990.db2.gz WUZCLLRSFSDBIY-KRWDZBQOSA-N 0 3 360.414 1.833 20 5 FDBDHN C[C@@H]1CN(CC2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C[C@@H](C)O1 ZINC000091478670 524711959 /nfs/dbraw/zinc/71/19/59/524711959.db2.gz LNKUDYOLWKIEDW-ZIAGYGMSSA-N 0 3 374.445 1.963 20 5 FDBDHN CSc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000114380129 524782178 /nfs/dbraw/zinc/78/21/78/524782178.db2.gz NQWVNXONLSZLAB-ZDUSSCGKSA-N 0 3 366.487 1.930 20 5 FDBDHN O=[N+]([O-])c1c(NCCCCN2CCN(CCO)CC2)ccc2ncccc21 ZINC000114450762 524802016 /nfs/dbraw/zinc/80/20/16/524802016.db2.gz FPWAMJQXPMPJBK-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000152495222 524904305 /nfs/dbraw/zinc/90/43/05/524904305.db2.gz AMILGLUWLFWOIX-ZDUSSCGKSA-N 0 3 368.459 1.520 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152528217 524916016 /nfs/dbraw/zinc/91/60/16/524916016.db2.gz ZYPFSWPUYLTSPY-CYBMUJFWSA-N 0 3 358.398 1.984 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152867959 525033499 /nfs/dbraw/zinc/03/34/99/525033499.db2.gz NSAIZUSVSGVGFX-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000116450243 525156873 /nfs/dbraw/zinc/15/68/73/525156873.db2.gz YTAIOBFHOKMRHB-GFCCVEGCSA-N 0 3 353.423 1.093 20 5 FDBDHN COCCN1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000125296515 525187930 /nfs/dbraw/zinc/18/79/30/525187930.db2.gz TTYYUCLYERYNBQ-UHFFFAOYSA-N 0 3 362.430 1.773 20 5 FDBDHN O=C([C@H](C1CC1)N1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127193373 525394080 /nfs/dbraw/zinc/39/40/80/525394080.db2.gz BNJGNRGUOBYRHP-PBHICJAKSA-N 0 3 359.430 1.877 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000118129607 525475663 /nfs/dbraw/zinc/47/56/63/525475663.db2.gz NPVZFUDCSNGDRV-VIFPVBQESA-N 0 3 354.794 1.786 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000178804658 525483436 /nfs/dbraw/zinc/48/34/36/525483436.db2.gz ULYMSKCSPOVKJV-LBPRGKRZSA-N 0 3 374.401 1.169 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164517932 525514985 /nfs/dbraw/zinc/51/49/85/525514985.db2.gz LRXWNTNSYUHDPD-LXZKKBNFSA-N 0 3 374.441 1.656 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCN2CCC[C@@H]2CO)c1 ZINC000154535835 525565100 /nfs/dbraw/zinc/56/51/00/525565100.db2.gz RHMQOVYZPRJKKV-MRXNPFEDSA-N 0 3 371.459 1.251 20 5 FDBDHN NC(=O)CC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000170734619 525693589 /nfs/dbraw/zinc/69/35/89/525693589.db2.gz GBPZTJNESYVDJY-UKRRQHHQSA-N 0 3 351.403 1.312 20 5 FDBDHN CC(C)NS(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000180466759 525710747 /nfs/dbraw/zinc/71/07/47/525710747.db2.gz VWHHXQVLVXLJJY-HNNXBMFYSA-N 0 3 355.460 1.833 20 5 FDBDHN CC(C)N1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000155494586 525881832 /nfs/dbraw/zinc/88/18/32/525881832.db2.gz SPWYADOUVVFSTI-JSGCOSHPSA-N 0 3 363.414 1.753 20 5 FDBDHN COCCN(C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171212916 525900269 /nfs/dbraw/zinc/90/02/69/525900269.db2.gz GVCZGCDADFWSQY-UHFFFAOYSA-N 0 3 365.434 1.005 20 5 FDBDHN CCCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)NC ZINC000120160021 525978989 /nfs/dbraw/zinc/97/89/89/525978989.db2.gz URYAQFMYYWDGDJ-UHFFFAOYSA-N 0 3 350.375 1.351 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120518464 526095773 /nfs/dbraw/zinc/09/57/73/526095773.db2.gz IDFZULNUEMOSOV-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN CCOC(=O)CNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183396014 535973511 /nfs/dbraw/zinc/97/35/11/535973511.db2.gz BGUNEXWULBDARC-UHFFFAOYSA-N 0 3 363.414 1.795 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000183738381 536040189 /nfs/dbraw/zinc/04/01/89/536040189.db2.gz PIWFCTASEJYOSL-LSDHHAIUSA-N 0 3 360.414 1.328 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)c2cccc(Br)c2)c1 ZINC000183888628 536062991 /nfs/dbraw/zinc/06/29/91/536062991.db2.gz INRHKOFBVSDJEV-ZDUSSCGKSA-N 0 3 355.192 1.877 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000184565993 536165491 /nfs/dbraw/zinc/16/54/91/536165491.db2.gz RHBWNOMGGPCDIQ-CQSZACIVSA-N 0 3 355.398 1.966 20 5 FDBDHN C[C@H](C(=O)N1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184795031 536184420 /nfs/dbraw/zinc/18/44/20/536184420.db2.gz VGPZYSPHIVDCAY-ZDUSSCGKSA-N 0 3 352.410 1.543 20 5 FDBDHN CCOC(=O)c1ccnc(N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184826843 536186452 /nfs/dbraw/zinc/18/64/52/536186452.db2.gz TZBYDOWWCJCDJE-CYBMUJFWSA-N 0 3 365.434 1.604 20 5 FDBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000185030091 536196238 /nfs/dbraw/zinc/19/62/38/536196238.db2.gz YGVATYKDDWUXOV-KGLIPLIRSA-N 0 3 366.437 1.837 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185607337 536213519 /nfs/dbraw/zinc/21/35/19/536213519.db2.gz MBEHVQOSQKJDSH-HNNXBMFYSA-N 0 3 363.462 1.463 20 5 FDBDHN CSc1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000188757888 536943458 /nfs/dbraw/zinc/94/34/58/536943458.db2.gz KNWINAYQOHDDNB-UHFFFAOYSA-N 0 3 352.460 1.636 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000247471059 537122403 /nfs/dbraw/zinc/12/24/03/537122403.db2.gz RXCWXGZONZIOOY-GXTWGEPZSA-N 0 3 351.403 1.781 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000190034111 537129777 /nfs/dbraw/zinc/12/97/77/537129777.db2.gz LKMMUQSMHSAHRK-CQSZACIVSA-N 0 3 360.414 1.929 20 5 FDBDHN CC[C@H]1CN(c2ccccc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248395463 537176567 /nfs/dbraw/zinc/17/65/67/537176567.db2.gz OOYNVWARPBJZHP-MAUKXSAKSA-N 0 3 359.430 1.753 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248412265 537178884 /nfs/dbraw/zinc/17/88/84/537178884.db2.gz FEIQFBOJQFUKTJ-HIFRSBDPSA-N 0 3 362.430 1.432 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272782259 537340563 /nfs/dbraw/zinc/34/05/63/537340563.db2.gz ZPJPKLPCXPSDRB-UHFFFAOYSA-N 0 3 364.406 1.008 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285938481 537376289 /nfs/dbraw/zinc/37/62/89/537376289.db2.gz LZZDNSSHRUKKGA-BZUAXINKSA-N 0 3 365.430 1.130 20 5 FDBDHN COCCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000291402330 537579626 /nfs/dbraw/zinc/57/96/26/537579626.db2.gz HYGWKGTXBNFUPE-UHFFFAOYSA-N 0 3 353.423 1.141 20 5 FDBDHN CN1CCC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000294093554 537655518 /nfs/dbraw/zinc/65/55/18/537655518.db2.gz KILDGVZSAHDNPX-GOSISDBHSA-N 0 3 361.398 1.730 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296513940 537714510 /nfs/dbraw/zinc/71/45/10/537714510.db2.gz KISCXGWUNUQISS-LBPRGKRZSA-N 0 3 366.393 1.971 20 5 FDBDHN O=C1NC(=O)[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000366547729 537780428 /nfs/dbraw/zinc/78/04/28/537780428.db2.gz BJRJOXBFORCVLT-JSGCOSHPSA-N 0 3 355.350 1.949 20 5 FDBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CN1 ZINC000371313419 537814736 /nfs/dbraw/zinc/81/47/36/537814736.db2.gz LHGJHHBZWWJQMG-WBMJQRKESA-N 0 3 361.398 1.952 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000377481844 537963693 /nfs/dbraw/zinc/96/36/93/537963693.db2.gz PCJDVSDLWJOGBP-LBPRGKRZSA-N 0 3 355.416 1.462 20 5 FDBDHN C[C@@H](CO)N1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372737787 538016192 /nfs/dbraw/zinc/01/61/92/538016192.db2.gz IVSAIHFAQGTXDQ-LBPRGKRZSA-N 0 3 370.837 1.575 20 5 FDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000419347084 538047700 /nfs/dbraw/zinc/04/77/00/538047700.db2.gz WCPJEARQEPEFDR-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN CSC1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000427199692 538182691 /nfs/dbraw/zinc/18/26/91/538182691.db2.gz ZNUUFHFDWWJJIG-UHFFFAOYSA-N 0 3 352.460 1.950 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000420017394 538188086 /nfs/dbraw/zinc/18/80/86/538188086.db2.gz OLLGJMDEROPPNF-HNNXBMFYSA-N 0 3 361.345 1.629 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000440045574 538211357 /nfs/dbraw/zinc/21/13/57/538211357.db2.gz BCUVGZXCVXVQNE-VXGBXAGGSA-N 0 3 364.402 1.531 20 5 FDBDHN C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000437459274 538417195 /nfs/dbraw/zinc/41/71/95/538417195.db2.gz MMGJOPUTZVITOD-AWEZNQCLSA-N 0 3 358.402 1.309 20 5 FDBDHN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1OCCN(C)C ZINC000458191322 538574136 /nfs/dbraw/zinc/57/41/36/538574136.db2.gz GHWXTUWTGRNRLF-UHFFFAOYSA-N 0 3 374.397 1.644 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC/C=C\c2ccncc2)c1 ZINC000486938604 538579160 /nfs/dbraw/zinc/57/91/60/538579160.db2.gz MPSPUATYCVQKAY-IHWYPQMZSA-N 0 3 362.411 1.571 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)CC1 ZINC000462753359 538654757 /nfs/dbraw/zinc/65/47/57/538654757.db2.gz DGKSLYRBZZZWHD-QGZVFWFLSA-N 0 3 362.474 1.869 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000482990902 538660667 /nfs/dbraw/zinc/66/06/67/538660667.db2.gz WPKKYGJHXQUIDM-SKDRFNHKSA-N 0 3 370.207 1.661 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465890532 538734461 /nfs/dbraw/zinc/73/44/61/538734461.db2.gz OZERYCNWMJBQRA-HNNXBMFYSA-N 0 3 350.419 1.547 20 5 FDBDHN CN(C)CCOc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000497700407 538779992 /nfs/dbraw/zinc/77/99/92/538779992.db2.gz ADXGPXJQZWKNGX-UHFFFAOYSA-N 0 3 360.370 1.948 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000503476667 538808557 /nfs/dbraw/zinc/80/85/57/538808557.db2.gz JHLCNUAZHHMGCE-UHFFFAOYSA-N 0 3 355.460 1.931 20 5 FDBDHN CNC(=O)[C@H](CCSC)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489935578 538846464 /nfs/dbraw/zinc/84/64/64/538846464.db2.gz OUDSIDHOWKNSSH-RISCZKNCSA-N 0 3 368.459 1.769 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561170008 545723177 /nfs/dbraw/zinc/72/31/77/545723177.db2.gz RMEUBLDQKKTNMT-HNNXBMFYSA-N 0 3 374.441 1.470 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000562300114 546083003 /nfs/dbraw/zinc/08/30/03/546083003.db2.gz FCKILSLWLIVCEP-LBPRGKRZSA-N 0 3 374.397 1.320 20 5 FDBDHN CC(C)C(=O)NCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562990807 546344501 /nfs/dbraw/zinc/34/45/01/546344501.db2.gz HRAZSANEHPWLQL-UHFFFAOYSA-N 0 3 357.432 1.120 20 5 FDBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563137296 546420030 /nfs/dbraw/zinc/42/00/30/546420030.db2.gz CVCNLPMWDUDEFR-DOMZBBRYSA-N 0 3 353.419 1.671 20 5 FDBDHN CCCN(CCN1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000566035241 547574363 /nfs/dbraw/zinc/57/43/63/547574363.db2.gz ZXDIMYFAJGJFMO-UHFFFAOYSA-N 0 3 364.446 1.871 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(C)C ZINC000567164896 548017860 /nfs/dbraw/zinc/01/78/60/548017860.db2.gz DGDXKFJBBLSYJU-CXAGYDPISA-N 0 3 365.434 1.487 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000569146146 548814921 /nfs/dbraw/zinc/81/49/21/548814921.db2.gz YVNYUFOAIAJYRB-OAHLLOKOSA-N 0 3 367.402 1.309 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000569162154 548819318 /nfs/dbraw/zinc/81/93/18/548819318.db2.gz PRFCRCZRJNWGJH-CYBMUJFWSA-N 0 3 360.414 1.286 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2OCC(F)(F)F)c1 ZINC000569540950 548954102 /nfs/dbraw/zinc/95/41/02/548954102.db2.gz AODMMCIVEIXBMH-ZDUSSCGKSA-N 0 3 374.319 1.883 20 5 FDBDHN CC(C)Oc1nc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000569744095 549034237 /nfs/dbraw/zinc/03/42/37/549034237.db2.gz JSWKENCQQHYRHI-CQSZACIVSA-N 0 3 350.419 1.936 20 5 FDBDHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570044220 549139624 /nfs/dbraw/zinc/13/96/24/549139624.db2.gz BUTRBYYIQCHLFF-WCBMZHEXSA-N 0 3 367.349 1.890 20 5 FDBDHN CC(C)Oc1nc(NC2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000570059297 549144963 /nfs/dbraw/zinc/14/49/63/549144963.db2.gz LNZCUGMROTXREB-UHFFFAOYSA-N 0 3 351.451 2.215 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570526557 549311673 /nfs/dbraw/zinc/31/16/73/549311673.db2.gz ALHVTYCRORLQBL-WFASDCNBSA-N 0 3 355.398 1.965 20 5 FDBDHN CCOc1cc(Cl)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571316126 549603763 /nfs/dbraw/zinc/60/37/63/549603763.db2.gz UBXNGOGHKIMOBM-CQSZACIVSA-N 0 3 354.794 1.994 20 5 FDBDHN O=C(Cn1ccc2ccc([N+](=O)[O-])cc2c1=O)NC1CCN(C2CC2)CC1 ZINC000571403409 549632881 /nfs/dbraw/zinc/63/28/81/549632881.db2.gz IUYSFIZLCXBROF-UHFFFAOYSA-N 0 3 370.409 1.653 20 5 FDBDHN C[C@H]1COCCN1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000574509784 550325932 /nfs/dbraw/zinc/32/59/32/550325932.db2.gz GJCBZBWTVIUKGP-AWEZNQCLSA-N 0 3 362.430 1.718 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000574583562 550337715 /nfs/dbraw/zinc/33/77/15/550337715.db2.gz XVRUBXSEVAJNOF-RYUDHWBXSA-N 0 3 358.192 1.104 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)Nc2cccc3c2CCNC3)ccc1[N+](=O)[O-] ZINC000576753203 550582113 /nfs/dbraw/zinc/58/21/13/550582113.db2.gz QXPWZXHOFCVWHZ-UHFFFAOYSA-N 0 3 368.393 1.917 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000576774345 550584643 /nfs/dbraw/zinc/58/46/43/550584643.db2.gz JSBJFBMTOHYOQJ-MJVIPROJSA-N 0 3 355.416 1.477 20 5 FDBDHN CCNC(=O)c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000577055063 550615208 /nfs/dbraw/zinc/61/52/08/550615208.db2.gz SEQRFHUJQRJZJT-QGZVFWFLSA-N 0 3 373.409 1.874 20 5 FDBDHN Cc1cc(OCC(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000578714736 550793120 /nfs/dbraw/zinc/79/31/20/550793120.db2.gz NZWXBEKNUGRQFZ-UHFFFAOYSA-N 0 3 352.435 1.234 20 5 FDBDHN Cc1c(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000582721126 551259258 /nfs/dbraw/zinc/25/92/58/551259258.db2.gz VAUXEJUCCBTHIO-AWEZNQCLSA-N 0 3 369.377 1.650 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)c2ccccc2)cc1 ZINC000582785500 551267165 /nfs/dbraw/zinc/26/71/65/551267165.db2.gz FSVNXJZYVNZAEI-HNNXBMFYSA-N 0 3 364.423 1.734 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000583494798 551360623 /nfs/dbraw/zinc/36/06/23/551360623.db2.gz GJXBKVAMMATZIA-DZGCQCFKSA-N 0 3 350.350 1.795 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000583509049 551362942 /nfs/dbraw/zinc/36/29/42/551362942.db2.gz BOZLNZAMMWALHK-MRXNPFEDSA-N 0 3 351.428 1.503 20 5 FDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000583564507 551370273 /nfs/dbraw/zinc/37/02/73/551370273.db2.gz TVWASVQAMBYGLV-QGZVFWFLSA-N 0 3 361.423 1.983 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000583891697 551417257 /nfs/dbraw/zinc/41/72/57/551417257.db2.gz GZJAIPCLOJYQLM-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000584831943 551555634 /nfs/dbraw/zinc/55/56/34/551555634.db2.gz PVJLSILNFIMRGV-LLVKDONJSA-N 0 3 354.382 1.909 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000584851669 551560469 /nfs/dbraw/zinc/56/04/69/551560469.db2.gz WBGPQUQVQMULBK-UHFFFAOYSA-N 0 3 373.413 1.941 20 5 FDBDHN CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N1CCN(C)CC1 ZINC000587101028 551630229 /nfs/dbraw/zinc/63/02/29/551630229.db2.gz MXOCJPOKKGNVJG-INIZCTEOSA-N 0 3 351.451 1.353 20 5 FDBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000588865198 551695195 /nfs/dbraw/zinc/69/51/95/551695195.db2.gz ZRSKICMEFVLNSY-HNNXBMFYSA-N 0 3 358.398 1.991 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590399654 551780458 /nfs/dbraw/zinc/78/04/58/551780458.db2.gz CWJCQOVJNWIFML-RYUDHWBXSA-N 0 3 351.407 1.377 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590538503 551789943 /nfs/dbraw/zinc/78/99/43/551789943.db2.gz UHHPQOAGBHMZMO-CQSZACIVSA-N 0 3 358.402 1.732 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000590549691 551790829 /nfs/dbraw/zinc/79/08/29/551790829.db2.gz NTLYLDFBNBQPLH-HUUCEWRRSA-N 0 3 363.414 1.340 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c(C)cc1[N+](=O)[O-] ZINC000591328798 551862410 /nfs/dbraw/zinc/86/24/10/551862410.db2.gz JXYDRBXGXFFAIA-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN O=C1CCCN1c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591726112 551903820 /nfs/dbraw/zinc/90/38/20/551903820.db2.gz QUHNBLKUKIZBLP-INIZCTEOSA-N 0 3 359.386 1.069 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592211773 551960996 /nfs/dbraw/zinc/96/09/96/551960996.db2.gz HCBRSQJSNKQBLR-NSHDSACASA-N 0 3 365.390 1.187 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592870016 552037176 /nfs/dbraw/zinc/03/71/76/552037176.db2.gz BRMXJIAZLXNANJ-NSHDSACASA-N 0 3 359.386 1.268 20 5 FDBDHN CC(C)c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592873671 552037756 /nfs/dbraw/zinc/03/77/56/552037756.db2.gz QGWZSBYVTPKHEJ-ZDUSSCGKSA-N 0 3 362.430 1.910 20 5 FDBDHN O=C(CCN1CCC(Cn2cnnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593077791 552058908 /nfs/dbraw/zinc/05/89/08/552058908.db2.gz QZVMPAAWCAOMDQ-UHFFFAOYSA-N 0 3 358.402 1.927 20 5 FDBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537538 552126655 /nfs/dbraw/zinc/12/66/55/552126655.db2.gz DIJDMPPKZVGWQN-ZDUSSCGKSA-N 0 3 356.448 1.923 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)nc1 ZINC000593558330 552133659 /nfs/dbraw/zinc/13/36/59/552133659.db2.gz VTSDQBYEFRXIPL-ZDUSSCGKSA-N 0 3 354.432 1.486 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593733703 552186215 /nfs/dbraw/zinc/18/62/15/552186215.db2.gz ZATXCGUSCRIUGH-UHFFFAOYSA-N 0 3 361.395 1.411 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000593905371 552222619 /nfs/dbraw/zinc/22/26/19/552222619.db2.gz QRULNCPHVARIHG-KGLIPLIRSA-N 0 3 357.414 1.970 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594317729 552286472 /nfs/dbraw/zinc/28/64/72/552286472.db2.gz GODOMMATIOOJJP-DZGCQCFKSA-N 0 3 369.425 2.424 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000594775885 552380275 /nfs/dbraw/zinc/38/02/75/552380275.db2.gz MQONMLLNMRGVOI-TZMCWYRMSA-N 0 3 366.443 1.627 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC1CCN([C@H]3CCOC3)CC1)OCCO2 ZINC000594992930 552433854 /nfs/dbraw/zinc/43/38/54/552433854.db2.gz LOEKPGRFNOAKAR-HNNXBMFYSA-N 0 3 363.414 1.709 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000595195098 552486136 /nfs/dbraw/zinc/48/61/36/552486136.db2.gz ZGLIEHDVBYNMGY-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN Cc1ccc(NCCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595263245 552507516 /nfs/dbraw/zinc/50/75/16/552507516.db2.gz RQVYLZZQRWCTQE-CHWSQXEVSA-N 0 3 353.398 1.786 20 5 FDBDHN O=C(CNc1c(Cl)cncc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000596239590 552667561 /nfs/dbraw/zinc/66/75/61/552667561.db2.gz GHTKJWOBZQDKND-UHFFFAOYSA-N 0 3 355.826 1.469 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NCC3CCN(Cc4ccncc4)CC3)nn21 ZINC000596442829 552679617 /nfs/dbraw/zinc/67/96/17/552679617.db2.gz UPYCVMSKAYLHSD-UHFFFAOYSA-N 0 3 367.413 2.357 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597049840 552739456 /nfs/dbraw/zinc/73/94/56/552739456.db2.gz YYSBYHXHBNNTDW-IUODEOHRSA-N 0 3 355.416 1.030 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597606118 552811218 /nfs/dbraw/zinc/81/12/18/552811218.db2.gz UXAYDRLGVWOJOY-GFCCVEGCSA-N 0 3 374.397 1.134 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597992492 552853728 /nfs/dbraw/zinc/85/37/28/552853728.db2.gz VUSIXZBGLJPHJC-OAHLLOKOSA-N 0 3 370.409 1.674 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000598341417 552887094 /nfs/dbraw/zinc/88/70/94/552887094.db2.gz BBXJVRLGDIVYLH-CQSZACIVSA-N 0 3 362.430 1.646 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000598571189 552910391 /nfs/dbraw/zinc/91/03/91/552910391.db2.gz HVFVJUVYNIJYFZ-QWHCGFSZSA-N 0 3 364.402 1.249 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897986 552941121 /nfs/dbraw/zinc/94/11/21/552941121.db2.gz NJPCAKIKHXOAJS-OCCSQVGLSA-N 0 3 363.418 1.657 20 5 FDBDHN COc1ccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1[N+](=O)[O-] ZINC000598991546 552955000 /nfs/dbraw/zinc/95/50/00/552955000.db2.gz OKQXLCBDAPWGJW-ZDUSSCGKSA-N 0 3 369.385 1.410 20 5 FDBDHN COc1ccc([C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599681111 553120012 /nfs/dbraw/zinc/12/00/12/553120012.db2.gz WBPVJCDHKFXGBE-ZFWWWQNUSA-N 0 3 364.377 1.789 20 5 FDBDHN COc1c(C(=O)N2CCC(N3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600007893 553198598 /nfs/dbraw/zinc/19/85/98/553198598.db2.gz GYHZNYWEYKHRPW-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600473110 553273884 /nfs/dbraw/zinc/27/38/84/553273884.db2.gz QSPIJWGTBJXJLE-MRXNPFEDSA-N 0 3 370.413 1.922 20 5 FDBDHN CCC1(N2CCOCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000600683605 553299929 /nfs/dbraw/zinc/29/99/29/553299929.db2.gz SNQGVNJRHNRFJP-UHFFFAOYSA-N 0 3 365.434 1.203 20 5 FDBDHN COc1cccc([C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)OC)c1 ZINC000600746398 553310343 /nfs/dbraw/zinc/31/03/43/553310343.db2.gz SMRPDGVMNQEIDE-ZBFHGGJFSA-N 0 3 350.375 1.138 20 5 FDBDHN CN(CCCN1CCN(C)CC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601114937 553349329 /nfs/dbraw/zinc/34/93/29/553349329.db2.gz BNNJZTBJEANACZ-UHFFFAOYSA-N 0 3 364.372 1.421 20 5 FDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1N(C)C ZINC000601135943 553351387 /nfs/dbraw/zinc/35/13/87/553351387.db2.gz TVULFZZXZLTANB-JGVFFNPUSA-N 0 3 353.370 1.829 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000602892219 553662229 /nfs/dbraw/zinc/66/22/29/553662229.db2.gz HIGOLSNPJNBLLE-CXAGYDPISA-N 0 3 366.418 1.390 20 5 FDBDHN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000603930004 553831177 /nfs/dbraw/zinc/83/11/77/553831177.db2.gz BXPSXWFBCXJHHT-RYUDHWBXSA-N 0 3 356.448 1.775 20 5 FDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000604573508 553890914 /nfs/dbraw/zinc/89/09/14/553890914.db2.gz OMCBHMUFIHVURI-HNNXBMFYSA-N 0 3 362.430 1.720 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000609269567 554353809 /nfs/dbraw/zinc/35/38/09/554353809.db2.gz UEIPPNCQMGHFEY-AWEZNQCLSA-N 0 3 350.419 1.624 20 5 FDBDHN CNc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000609583062 554397498 /nfs/dbraw/zinc/39/74/98/554397498.db2.gz SAUUBYCBXBSNMX-UHFFFAOYSA-N 0 3 350.419 1.819 20 5 FDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000609620086 554403167 /nfs/dbraw/zinc/40/31/67/554403167.db2.gz WQAZTZPYQIFGJU-LJQANCHMSA-N 0 3 355.394 1.848 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000609840905 554427820 /nfs/dbraw/zinc/42/78/20/554427820.db2.gz VQHROOMZZAFDRK-CQSZACIVSA-N 0 3 364.450 1.570 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(CC)C1CC1 ZINC000609843627 554428394 /nfs/dbraw/zinc/42/83/94/554428394.db2.gz OMGDAEFNJIIZQQ-ZDUSSCGKSA-N 0 3 352.439 1.428 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609876521 554432338 /nfs/dbraw/zinc/43/23/38/554432338.db2.gz BVGSIFZYXAJVRZ-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN COc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000610335384 554492915 /nfs/dbraw/zinc/49/29/15/554492915.db2.gz WFUXBSJZFADETI-CQSZACIVSA-N 0 3 350.375 1.301 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000610429897 554504778 /nfs/dbraw/zinc/50/47/78/554504778.db2.gz CTDXVJSTRFWWOL-RDBSUJKOSA-N 0 3 364.450 1.522 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000610819604 554567145 /nfs/dbraw/zinc/56/71/45/554567145.db2.gz AMRZOBIQJPUJIC-DLBZAZTESA-N 0 3 362.474 1.960 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610869622 554572807 /nfs/dbraw/zinc/57/28/07/554572807.db2.gz GNDZOBKLJBXWFJ-LBPRGKRZSA-N 0 3 374.401 1.169 20 5 FDBDHN Nc1cc(N2CCC(CN3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525811 554641585 /nfs/dbraw/zinc/64/15/85/554641585.db2.gz UAYFHRRWMNGONS-UHFFFAOYSA-N 0 3 350.419 1.218 20 5 FDBDHN COc1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000611828222 554686863 /nfs/dbraw/zinc/68/68/63/554686863.db2.gz PVOWOVVVLASZLA-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN Cc1cc(NCCCN2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000611923518 554702822 /nfs/dbraw/zinc/70/28/22/554702822.db2.gz XIMLSJSBJSQVGH-UHFFFAOYSA-N 0 3 364.427 1.711 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000619567158 555800305 /nfs/dbraw/zinc/80/03/05/555800305.db2.gz XGSZLIZEFOLFLD-CYBMUJFWSA-N 0 3 358.402 1.732 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823647147 599059505 /nfs/dbraw/zinc/05/95/05/599059505.db2.gz GXGALTQFBSZVSD-LBPRGKRZSA-N 0 3 358.406 1.482 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823647147 599059507 /nfs/dbraw/zinc/05/95/07/599059507.db2.gz GXGALTQFBSZVSD-LBPRGKRZSA-N 0 3 358.406 1.482 20 5 FDBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000272848136 674480847 /nfs/dbraw/zinc/48/08/47/674480847.db2.gz OCJXORMLODUWRZ-MEDUHNTESA-N 0 3 365.411 1.626 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@H]2COCC[C@@H]21 ZINC000273422991 674535804 /nfs/dbraw/zinc/53/58/04/674535804.db2.gz ZDBNPQQHXVHATO-INWMFGNUSA-N 0 3 354.428 1.541 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000273508090 674544250 /nfs/dbraw/zinc/54/42/50/674544250.db2.gz NDDKQJVUXXPBIB-KGLIPLIRSA-N 0 3 350.444 1.829 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000275836578 674648904 /nfs/dbraw/zinc/64/89/04/674648904.db2.gz UYXMFSWPKUUXHP-PBHICJAKSA-N 0 3 351.403 1.752 20 5 FDBDHN COC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000276951215 674816910 /nfs/dbraw/zinc/81/69/10/674816910.db2.gz BYGVTLIXJYRLIE-UHFFFAOYSA-N 0 3 358.416 1.154 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N3CCCC3)C2)n1 ZINC000286767847 675905352 /nfs/dbraw/zinc/90/53/52/675905352.db2.gz HZJUPFZSRGDVRM-ZIAGYGMSSA-N 0 3 366.443 1.792 20 5 FDBDHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279882455 675358943 /nfs/dbraw/zinc/35/89/43/675358943.db2.gz HJOUHZRONYBFCY-SECBINFHSA-N 0 3 357.388 1.381 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1F ZINC000284610798 675733761 /nfs/dbraw/zinc/73/37/61/675733761.db2.gz IHWODLUKGPAYSS-CYBMUJFWSA-N 0 3 352.410 1.798 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1N1CCCC1 ZINC000332075792 676736600 /nfs/dbraw/zinc/73/66/00/676736600.db2.gz FWPRUHJQUXQQIU-STQMWFEESA-N 0 3 351.432 1.224 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365025749 677344438 /nfs/dbraw/zinc/34/44/38/677344438.db2.gz ZMPYXIOROARYSD-IAQYHMDHSA-N 0 3 354.432 1.033 20 5 FDBDHN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000367045311 677481934 /nfs/dbraw/zinc/48/19/34/677481934.db2.gz KPPJTOZABKSUAV-JSGCOSHPSA-N 0 3 352.460 1.754 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000376549039 678332602 /nfs/dbraw/zinc/33/26/02/678332602.db2.gz UBIZECKLXHPBEY-CHWSQXEVSA-N 0 3 352.387 1.466 20 5 FDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416469504 679633604 /nfs/dbraw/zinc/63/36/04/679633604.db2.gz DGSANMAQVAZEAP-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN CN1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418828406 680132558 /nfs/dbraw/zinc/13/25/58/680132558.db2.gz MMGOSHFXEFZYGZ-UHFFFAOYSA-N 0 3 362.171 1.522 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCNC[C@@](C)(F)C1 ZINC000420325783 680431739 /nfs/dbraw/zinc/43/17/39/680431739.db2.gz BUOBXUFSGZRBNZ-MEDUHNTESA-N 0 3 354.382 1.564 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000421700458 680672356 /nfs/dbraw/zinc/67/23/56/680672356.db2.gz FADHAGWAXFGDBI-LBPRGKRZSA-N 0 3 366.443 1.338 20 5 FDBDHN CN1C[C@@H]2CCCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425218042 680887525 /nfs/dbraw/zinc/88/75/25/680887525.db2.gz WSZYIFNRRTWULE-GOEBONIOSA-N 0 3 353.444 1.493 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000426957670 680964723 /nfs/dbraw/zinc/96/47/23/680964723.db2.gz UPJBDXSWDGJZJI-AWEZNQCLSA-N 0 3 351.403 1.786 20 5 FDBDHN COC(=O)COc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475700483 685629190 /nfs/dbraw/zinc/62/91/90/685629190.db2.gz JMXSWYIORHQRTK-OCCSQVGLSA-N 0 3 352.387 1.882 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCCOC)C2CCN(C)CC2)n1 ZINC000464705859 684756971 /nfs/dbraw/zinc/75/69/71/684756971.db2.gz CQCMOTQXVKXWSF-UHFFFAOYSA-N 0 3 353.423 1.384 20 5 FDBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469144812 684951528 /nfs/dbraw/zinc/95/15/28/684951528.db2.gz VHPWDRAGTIFWJY-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000480082086 686126662 /nfs/dbraw/zinc/12/66/62/686126662.db2.gz GZIPLAMXMDSRLS-HIFRSBDPSA-N 0 3 350.467 1.582 20 5 FDBDHN C[C@H]1CCN(C)CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000501287069 688167510 /nfs/dbraw/zinc/16/75/10/688167510.db2.gz SAYOKJWJHOANBU-NSHDSACASA-N 0 3 368.821 1.531 20 5 FDBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(N)n4)C[C@@H]3C2)cn1 ZINC001164773224 721155691 /nfs/dbraw/zinc/15/56/91/721155691.db2.gz XGRCOPGAYUMORE-KGLIPLIRSA-N 0 3 357.418 1.264 20 5 FDBDHN Cc1ccn(CC(=O)NC[C@H](c2ccccc2)N(C)C)c(=O)c1[N+](=O)[O-] ZINC000471515270 773539091 /nfs/dbraw/zinc/53/90/91/773539091.db2.gz JBCYXMOYKPBAQH-OAHLLOKOSA-N 0 3 358.398 1.484 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000891350099 775078937 /nfs/dbraw/zinc/07/89/37/775078937.db2.gz ZTIBCOZWNLWXFI-UHFFFAOYSA-N 0 3 372.429 1.869 20 5 FDBDHN CN1CCN(CCCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891592111 778396724 /nfs/dbraw/zinc/39/67/24/778396724.db2.gz NJFUHQUMIREARC-UHFFFAOYSA-N 0 3 359.430 1.496 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000472561915 787365381 /nfs/dbraw/zinc/36/53/81/787365381.db2.gz LHEGLVJNIRQPDZ-RYUDHWBXSA-N 0 3 366.393 1.909 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472691724 791328843 /nfs/dbraw/zinc/32/88/43/791328843.db2.gz IIJVOKRSAAHLAX-KGLIPLIRSA-N 0 3 364.377 1.758 20 5 FDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775281 792008821 /nfs/dbraw/zinc/00/88/21/792008821.db2.gz LADFTVXYKXGYSS-QMIVOQANSA-N 0 3 369.343 1.917 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000415711796 792855823 /nfs/dbraw/zinc/85/58/23/792855823.db2.gz PXLGQIQDVURQFR-MRXNPFEDSA-N 0 3 368.393 1.845 20 5 FDBDHN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980535960 807059005 /nfs/dbraw/zinc/05/90/05/807059005.db2.gz HWVICFJBCZFIHK-FDYHWXHSSA-N 0 3 363.418 1.131 20 5 FDBDHN COc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000749677705 807795791 /nfs/dbraw/zinc/79/57/91/807795791.db2.gz QLJMXBWKLPQYJF-INIZCTEOSA-N 0 3 362.382 1.798 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])c1 ZINC000421042385 813928041 /nfs/dbraw/zinc/92/80/41/813928041.db2.gz ZMGFBCJSRCQQLX-LBPRGKRZSA-N 0 3 367.402 1.716 20 5 FDBDHN COCC(C)(C)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000425501038 816391551 /nfs/dbraw/zinc/39/15/51/816391551.db2.gz FEOWORDIMCTHRU-INIZCTEOSA-N 0 3 367.446 1.377 20 5 FDBDHN Cc1[n-]nc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000426874268 818578204 /nfs/dbraw/zinc/57/82/04/818578204.db2.gz ITRPCMAUPYGTDC-GFCCVEGCSA-N 0 3 363.374 1.180 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446193516 828433384 /nfs/dbraw/zinc/43/33/84/828433384.db2.gz VFDGLVIKGKYFKH-DAYGRLMNSA-N 0 3 362.430 1.655 20 5 FDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897040248 826821650 /nfs/dbraw/zinc/82/16/50/826821650.db2.gz DYLGLDNHJWASSD-CRPZLVSXSA-N 0 3 359.426 1.961 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469873799 826829572 /nfs/dbraw/zinc/82/95/72/826829572.db2.gz UXYFGBRVAOFNDI-MRXNPFEDSA-N 0 3 358.398 1.944 20 5 FDBDHN COC(=O)Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897220670 827182927 /nfs/dbraw/zinc/18/29/27/827182927.db2.gz XPUDXJZWAGVVDS-HUUCEWRRSA-N 0 3 363.414 1.346 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)C1CC1 ZINC000840881281 827710128 /nfs/dbraw/zinc/71/01/28/827710128.db2.gz HWGCPAOZIIPTNO-LLVKDONJSA-N 0 3 355.416 1.479 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891016 830168701 /nfs/dbraw/zinc/16/87/01/830168701.db2.gz IVVYUQNEUVXDDM-OAHLLOKOSA-N 0 3 369.425 1.934 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520331989 830932008 /nfs/dbraw/zinc/93/20/08/830932008.db2.gz SCLSUKHOGDKAOC-AAEUAGOBSA-N 0 3 362.386 1.145 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532322162 831135538 /nfs/dbraw/zinc/13/55/38/831135538.db2.gz KSIRXAJTPDYHQL-BBRMVZONSA-N 0 3 374.445 1.304 20 5 FDBDHN CN(Cc1ncc(C2CC2)o1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964524 831933280 /nfs/dbraw/zinc/93/32/80/831933280.db2.gz NLSXELPTJSFKEV-HUUCEWRRSA-N 0 3 362.430 1.888 20 5 FDBDHN CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C1CCN(C)CC1 ZINC000899149575 845867901 /nfs/dbraw/zinc/86/79/01/845867901.db2.gz BNZDRTYEYGBRGW-UHFFFAOYSA-N 0 3 372.429 1.791 20 5 FDBDHN C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000249378968 857119851 /nfs/dbraw/zinc/11/98/51/857119851.db2.gz OPLOMLCKBVYHGZ-LSDHHAIUSA-N 0 3 367.446 1.112 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)CCO ZINC000912608464 859951782 /nfs/dbraw/zinc/95/17/82/859951782.db2.gz IEWGXBXOLVDTSL-NSHDSACASA-N 0 3 359.810 1.398 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249490456 860919730 /nfs/dbraw/zinc/91/97/30/860919730.db2.gz FAJDTHKEJKJFTD-ZIAGYGMSSA-N 0 3 364.446 1.619 20 5 FDBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000272277356 876925787 /nfs/dbraw/zinc/92/57/87/876925787.db2.gz DDFQRCKAYOFXJV-CYBMUJFWSA-N 0 3 370.400 1.686 20 5 FDBDHN O=[N+]([O-])c1cnc2ccccc2c1NCCCCN1CCN(CCO)CC1 ZINC000488060803 881238553 /nfs/dbraw/zinc/23/85/53/881238553.db2.gz AJBOXXHVRILIRQ-UHFFFAOYSA-N 0 3 373.457 1.367 20 5 FDBDHN COc1ccc(CSCC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001129186473 886088158 /nfs/dbraw/zinc/08/81/58/886088158.db2.gz ZRWRPVZVXTXKNC-HIFRSBDPSA-N 0 3 365.455 1.999 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000195051204 886094482 /nfs/dbraw/zinc/09/44/82/886094482.db2.gz KOMWDPGRDHKAJO-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN CCOc1cccc(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000184108139 897253936 /nfs/dbraw/zinc/25/39/36/897253936.db2.gz QKUVAHVFFZAPED-UHFFFAOYSA-N 0 3 362.430 1.738 20 5 FDBDHN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000764187856 903957595 /nfs/dbraw/zinc/95/75/95/903957595.db2.gz PDLNGNQLGFXENS-CABCVRRESA-N 0 3 358.446 1.705 20 5 FDBDHN CS(=O)(=O)Nc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679197 918413291 /nfs/dbraw/zinc/41/32/91/918413291.db2.gz ZDPJQXPZOOORBT-INIZCTEOSA-N 0 3 365.411 1.790 20 5 FDBDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018823 928239931 /nfs/dbraw/zinc/23/99/31/928239931.db2.gz FILJBZFRBICIEJ-JKIFEVAISA-N 0 3 352.435 1.519 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000103461758 928961914 /nfs/dbraw/zinc/96/19/14/928961914.db2.gz ODNYHOJNLCTOPJ-UHFFFAOYSA-N 0 3 374.445 1.388 20 5 FDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785799966 931625325 /nfs/dbraw/zinc/62/53/25/931625325.db2.gz KLKBYEYYRISGKR-KBPBESRZSA-N 0 3 362.386 1.827 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787996025 932508887 /nfs/dbraw/zinc/50/88/87/932508887.db2.gz PWPIFMASMMXNAO-PWSUYJOCSA-N 0 3 354.794 1.691 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@]12CCOC2 ZINC001195241618 970784872 /nfs/dbraw/zinc/78/48/72/970784872.db2.gz IAMAJNRNHATOMI-XJKSGUPXSA-N 0 3 369.443 1.232 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[N+](=O)[O-] ZINC000813101740 941325536 /nfs/dbraw/zinc/32/55/36/941325536.db2.gz IDLJTGKYRBYLSS-HUUCEWRRSA-N 0 3 364.398 1.903 20 5 FDBDHN COc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(OC)c1 ZINC000813102327 941325751 /nfs/dbraw/zinc/32/57/51/941325751.db2.gz PSRMGAXKCPAYPH-MNOVXSKESA-N 0 3 352.343 1.265 20 5 FDBDHN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102545 941325757 /nfs/dbraw/zinc/32/57/57/941325757.db2.gz RNVKJWQCTJNOIW-BJOHPYRUSA-N 0 3 351.334 1.563 20 5 FDBDHN COCc1nc2sc(C(=O)OCC(C)[N+](=O)[O-])c(C)c2c(OC)n1 ZINC000813107326 941333650 /nfs/dbraw/zinc/33/36/50/941333650.db2.gz LZDJEZVGUVQUNP-ZETCQYMHSA-N 0 3 355.372 1.977 20 5 FDBDHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111075 941334667 /nfs/dbraw/zinc/33/46/67/941334667.db2.gz CALDSYMRBHURRN-APPZFPTMSA-N 0 3 354.388 1.270 20 5 FDBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813114296 941336283 /nfs/dbraw/zinc/33/62/83/941336283.db2.gz OZPKNPWVIQABSW-GFCCVEGCSA-N 0 3 356.400 1.296 20 5 FDBDHN CC(COC(=O)C1CCN(C(=O)COc2ccccc2)CC1)[N+](=O)[O-] ZINC000813113603 941336321 /nfs/dbraw/zinc/33/63/21/941336321.db2.gz GVLNCFXJQJUDFY-CYBMUJFWSA-N 0 3 350.371 1.512 20 5 FDBDHN CON(C)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813113681 941336413 /nfs/dbraw/zinc/33/64/13/941336413.db2.gz STUSJKGMXHHXCM-MRVPVSSYSA-N 0 3 366.779 1.344 20 5 FDBDHN Cc1ccc(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)C2)cc1C ZINC000747966714 941697260 /nfs/dbraw/zinc/69/72/60/941697260.db2.gz BZWPINFBAWMLSF-VQIMIIECSA-N 0 3 373.457 1.980 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCCC1 ZINC000817288959 942659464 /nfs/dbraw/zinc/65/94/64/942659464.db2.gz PSXHBNPYLZXJND-UHFFFAOYSA-N 0 3 371.459 1.500 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000818948005 943358646 /nfs/dbraw/zinc/35/86/46/943358646.db2.gz MDNDOXRVPAWDKD-INIZCTEOSA-N 0 3 365.411 1.196 20 5 FDBDHN COc1ccc(C(=O)NCCNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818967556 943385235 /nfs/dbraw/zinc/38/52/35/943385235.db2.gz WABUJLFCZHUVKL-KRWDZBQOSA-N 0 3 359.382 1.656 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844039340 947645787 /nfs/dbraw/zinc/64/57/87/947645787.db2.gz QJOBYKAQPZNQBL-LLVKDONJSA-N 0 3 352.366 1.234 20 5 FDBDHN CC([C@@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872613 950042899 /nfs/dbraw/zinc/04/28/99/950042899.db2.gz KINJCSMXRZPNKP-YVEFUNNKSA-N 0 3 368.361 1.714 20 5 FDBDHN CCNS(=O)(=O)CCN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000772974895 952135754 /nfs/dbraw/zinc/13/57/54/952135754.db2.gz BOEKHJAODHROBP-LBPRGKRZSA-N 0 3 361.489 1.994 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCc2c[n-][nH]c2=O)c1F ZINC001173176241 961952426 /nfs/dbraw/zinc/95/24/26/961952426.db2.gz FHBAGQKUDUVGSF-WDEREUQCSA-N 0 3 352.366 1.775 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@]3(CCNC3=O)C2)c1F ZINC001173182001 961955105 /nfs/dbraw/zinc/95/51/05/961955105.db2.gz REYUDGHTSZHMOA-GTNSWQLSSA-N 0 3 351.378 1.886 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001175714736 963269860 /nfs/dbraw/zinc/26/98/60/963269860.db2.gz KZLNMMKEXZVDJG-AWEZNQCLSA-N 0 3 358.402 1.845 20 5 FDBDHN CNC(=O)c1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001187497711 965444282 /nfs/dbraw/zinc/44/42/82/965444282.db2.gz RNRQJRHDRRXGFU-HNNXBMFYSA-N 0 3 356.382 1.811 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581392 967184795 /nfs/dbraw/zinc/18/47/95/967184795.db2.gz IOQIMBBAWSAFDU-KRWDZBQOSA-N 0 3 364.446 1.114 20 5 FDBDHN C[C@@]12COC[C@H]1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000852534196 967403970 /nfs/dbraw/zinc/40/39/70/967403970.db2.gz INNWNXGEBOVAPB-DNVCBOLYSA-N 0 3 374.441 1.212 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001198260300 972912181 /nfs/dbraw/zinc/91/21/81/972912181.db2.gz HGCMROJYLBGZLA-JTQLQIEISA-N 0 3 353.404 1.098 20 5 FDBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776276725 975290115 /nfs/dbraw/zinc/29/01/15/975290115.db2.gz JHJWIFLTHVQWAX-YESZJQIVSA-N 0 3 350.415 1.880 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000866606626 975829680 /nfs/dbraw/zinc/82/96/80/975829680.db2.gz CZMVVGJUMJMWJZ-AWEZNQCLSA-N 0 3 351.378 1.646 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794972684 976501416 /nfs/dbraw/zinc/50/14/16/976501416.db2.gz MBVLPICJAFUVJP-ATCWAGBWSA-N 0 3 363.370 1.283 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCN3C)C2)cc1F ZINC000867808454 976907687 /nfs/dbraw/zinc/90/76/87/976907687.db2.gz HXWXUKTUEMLQKX-YPMHNXCESA-N 0 3 357.407 1.757 20 5 FDBDHN COCCN1CCC(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000868363595 977537842 /nfs/dbraw/zinc/53/78/42/977537842.db2.gz PCLWMCAFVDZNAD-UHFFFAOYSA-N 0 3 350.419 1.813 20 5 FDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000967949936 1014491951 /nfs/dbraw/zinc/49/19/51/1014491951.db2.gz MNIBPRMMCPHZKT-UKRRQHHQSA-N 0 3 371.397 1.209 20 5 FDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1Br)CCOCCO ZINC000882951848 981821464 /nfs/dbraw/zinc/82/14/64/981821464.db2.gz XMXYKJZTHJLNEM-UHFFFAOYSA-N 0 3 362.224 1.710 20 5 FDBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(Br)c1 ZINC000870377604 985952116 /nfs/dbraw/zinc/95/21/16/985952116.db2.gz RGYAMQJDEPNVIW-QPUJVOFHSA-N 0 3 359.176 1.835 20 5 FDBDHN COC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000886911032 986731883 /nfs/dbraw/zinc/73/18/83/986731883.db2.gz ZPPOQNWGXQMGMK-CJNGLKHVSA-N 0 3 351.403 1.589 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000365938769 988247741 /nfs/dbraw/zinc/24/77/41/988247741.db2.gz YABNWDSQJWYOSO-QWHCGFSZSA-N 0 3 362.434 1.763 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000366197896 988530814 /nfs/dbraw/zinc/53/08/14/988530814.db2.gz CWXQGQGWLYMFBT-OKILXGFUSA-N 0 3 362.430 1.951 20 5 FDBDHN COCCCN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000362883299 988762751 /nfs/dbraw/zinc/76/27/51/988762751.db2.gz BDNPBSFJBFCPAL-UHFFFAOYSA-N 0 3 361.402 1.656 20 5 FDBDHN CCc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000369936670 989323341 /nfs/dbraw/zinc/32/33/41/989323341.db2.gz MMCHUFVIMODOIA-MRXNPFEDSA-N 0 3 374.441 1.712 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363692896 989398356 /nfs/dbraw/zinc/39/83/56/989398356.db2.gz OIQCKHSPMPWIQT-HZPDHXFCSA-N 0 3 374.441 1.788 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)N(C)C ZINC000298139301 989918581 /nfs/dbraw/zinc/91/85/81/989918581.db2.gz ODFGEMXHVKSDNG-UHFFFAOYSA-N 0 3 366.418 1.732 20 5 FDBDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365019599 989962682 /nfs/dbraw/zinc/96/26/82/989962682.db2.gz QSTCJVULTWMXJL-HUUCEWRRSA-N 0 3 360.414 1.948 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000875079021 990849289 /nfs/dbraw/zinc/84/92/89/990849289.db2.gz QDAVHAHWMPSIQX-DLBZAZTESA-N 0 3 369.425 1.953 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000372363910 991043289 /nfs/dbraw/zinc/04/32/89/991043289.db2.gz CRQZXOXFDYHNGN-XJKSGUPXSA-N 0 3 364.421 1.832 20 5 FDBDHN CN(C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])nc1 ZINC000875655348 991870929 /nfs/dbraw/zinc/87/09/29/991870929.db2.gz DNUJNTDJIALNLC-GJZGRUSLSA-N 0 3 358.402 1.422 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000876470709 992628456 /nfs/dbraw/zinc/62/84/56/992628456.db2.gz YVROKZDWUWLPHY-QGZVFWFLSA-N 0 3 367.402 1.023 20 5 FDBDHN NC(=O)NC1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000471041131 994239787 /nfs/dbraw/zinc/23/97/87/994239787.db2.gz YVHJNDBXEHUKNB-UHFFFAOYSA-N 0 3 363.374 1.026 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889773439 998638993 /nfs/dbraw/zinc/63/89/93/998638993.db2.gz INGWLJSZIHMUQG-HZPDHXFCSA-N 0 3 367.377 1.170 20 5 FDBDHN CC(C)c1nc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000266572423 999189829 /nfs/dbraw/zinc/18/98/29/999189829.db2.gz LJDFEIJAGDDWNJ-CQSZACIVSA-N 0 3 364.406 1.538 20 5 FDBDHN NC(=O)[C@@]1(O)CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000285705911 999919325 /nfs/dbraw/zinc/91/93/25/999919325.db2.gz BRBODVYQLYAANE-HXUWFJFHSA-N 0 3 352.390 1.758 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000930164306 1002899300 /nfs/dbraw/zinc/89/93/00/1002899300.db2.gz WZHIZACWYPZJQE-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932474889 1004978251 /nfs/dbraw/zinc/97/82/51/1004978251.db2.gz OKQVBXKWQNKHOK-ROUUACIJSA-N 0 3 360.458 1.794 20 5 FDBDHN CN1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935818956 1006037945 /nfs/dbraw/zinc/03/79/45/1006037945.db2.gz MVUHCROKWBAXLT-SJORKVTESA-N 0 3 360.458 1.841 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195171069 178244754 /nfs/dbraw/zinc/24/47/54/178244754.db2.gz QOCRRRWLRRURBB-LLVKDONJSA-N 0 3 352.416 1.035 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000513441633 538995940 /nfs/dbraw/zinc/99/59/40/538995940.db2.gz DADXDVIJAKDTFQ-HNNXBMFYSA-N 0 3 358.398 1.810 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)O1 ZINC000267899705 674029115 /nfs/dbraw/zinc/02/91/15/674029115.db2.gz BDAQADHEJNFBAQ-VXGBXAGGSA-N 0 3 351.407 1.390 20 5 FDBDHN CN(CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000264520058 179127105 /nfs/dbraw/zinc/12/71/05/179127105.db2.gz VCIGKDVTOAUSNY-UHFFFAOYSA-N 0 3 354.794 1.188 20 5 FDBDHN CC[C@H]1CCCCN1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000522196701 539549957 /nfs/dbraw/zinc/54/99/57/539549957.db2.gz JLVCHNLSCYVXJL-LBPRGKRZSA-N 0 3 356.448 1.919 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000072089503 210064837 /nfs/dbraw/zinc/06/48/37/210064837.db2.gz BTBUREMTHRXBJC-NSHDSACASA-N 0 3 364.358 1.964 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265509061 179394067 /nfs/dbraw/zinc/39/40/67/179394067.db2.gz FMKOFGITABVRMM-CYBMUJFWSA-N 0 3 352.391 1.123 20 5 FDBDHN CN(CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000269626062 180344008 /nfs/dbraw/zinc/34/40/08/180344008.db2.gz OECBMEZJVZKVGS-UHFFFAOYSA-N 0 3 358.398 1.395 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273129287 180868872 /nfs/dbraw/zinc/86/88/72/180868872.db2.gz REWAKQIARCXMHB-RDJZCZTQSA-N 0 3 350.346 1.797 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530646827 540014828 /nfs/dbraw/zinc/01/48/28/540014828.db2.gz KYRKVWPSTJHQII-INIZCTEOSA-N 0 3 353.444 1.699 20 5 FDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274377057 181080906 /nfs/dbraw/zinc/08/09/06/181080906.db2.gz PXWWENHTSZPUPE-LBPRGKRZSA-N 0 3 364.427 1.715 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000274553718 181120254 /nfs/dbraw/zinc/12/02/54/181120254.db2.gz BDIKKHRHUKDYMU-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000274543088 181117949 /nfs/dbraw/zinc/11/79/49/181117949.db2.gz LBKMWYYDDXINOM-UHFFFAOYSA-N 0 3 357.432 1.369 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000535696429 540494573 /nfs/dbraw/zinc/49/45/73/540494573.db2.gz MUQUFLADJMRXQN-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN COc1ccc(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000535729933 540500215 /nfs/dbraw/zinc/50/02/15/540500215.db2.gz YZZGRCUHCZFUMR-ZFWWWQNUSA-N 0 3 353.444 1.650 20 5 FDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000537973361 540794811 /nfs/dbraw/zinc/79/48/11/540794811.db2.gz HHTQHBAMTMOMPC-STQMWFEESA-N 0 3 357.432 1.278 20 5 FDBDHN COc1ccc(OCCN2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000538390973 540852333 /nfs/dbraw/zinc/85/23/33/540852333.db2.gz WBELJBGNPTZNEE-HOCLYGCPSA-N 0 3 355.460 1.960 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000539480635 540964884 /nfs/dbraw/zinc/96/48/84/540964884.db2.gz NMDUDJGPBRZFCD-CABCVRRESA-N 0 3 352.460 1.819 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539497859 540966713 /nfs/dbraw/zinc/96/67/13/540966713.db2.gz DAJLRJHVAQHYOA-HNNXBMFYSA-N 0 3 365.430 1.899 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000540288885 541042661 /nfs/dbraw/zinc/04/26/61/541042661.db2.gz KPKMLXSZZIJBNM-LBPRGKRZSA-N 0 3 364.402 1.251 20 5 FDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000275473502 181326735 /nfs/dbraw/zinc/32/67/35/181326735.db2.gz BBDNHSJUHJGMMB-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN COc1ccc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000540688990 541088825 /nfs/dbraw/zinc/08/88/25/541088825.db2.gz XIKACIHYEIPJNF-CZUORRHYSA-N 0 3 370.427 1.429 20 5 FDBDHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541981879 541312427 /nfs/dbraw/zinc/31/24/27/541312427.db2.gz FERVBBKTZZMIDE-ZDUSSCGKSA-N 0 3 365.386 1.793 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000275684429 181387180 /nfs/dbraw/zinc/38/71/80/181387180.db2.gz LLKJKIUFGDTBCL-GFCCVEGCSA-N 0 3 364.402 1.342 20 5 FDBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544851239 541842972 /nfs/dbraw/zinc/84/29/72/541842972.db2.gz RVTQVHHWANZGKC-HNNXBMFYSA-N 0 3 358.402 1.309 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282515925 182022757 /nfs/dbraw/zinc/02/27/57/182022757.db2.gz LLRJQICSDITACN-UHFFFAOYSA-N 0 3 370.475 1.208 20 5 FDBDHN C[C@H]1[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000291709863 183812560 /nfs/dbraw/zinc/81/25/60/183812560.db2.gz GGWFSSVERAINHF-WMLDXEAASA-N 0 3 357.414 1.961 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000295362709 184063031 /nfs/dbraw/zinc/06/30/31/184063031.db2.gz PCIMGZBNOORRKT-FGWVZKOKSA-N 0 3 373.406 1.646 20 5 FDBDHN Cc1nc(NCCCN2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000295591257 184085625 /nfs/dbraw/zinc/08/56/25/184085625.db2.gz SURAKVFABGXUFO-UHFFFAOYSA-N 0 3 357.418 1.712 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000297272955 184252893 /nfs/dbraw/zinc/25/28/93/184252893.db2.gz GIWPOYIABKXZIO-UHFFFAOYSA-N 0 3 350.350 1.359 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000173283832 258295439 /nfs/dbraw/zinc/29/54/39/258295439.db2.gz YHKCEGZDAWIMFJ-KRWDZBQOSA-N 0 3 363.393 1.868 20 5 FDBDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000552067293 543414033 /nfs/dbraw/zinc/41/40/33/543414033.db2.gz FUTUSMCNDZIJLL-ULQDDVLXSA-N 0 3 367.471 1.831 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000173396549 258298059 /nfs/dbraw/zinc/29/80/59/258298059.db2.gz OPTIVTLNOKJNJH-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000072628973 172045733 /nfs/dbraw/zinc/04/57/33/172045733.db2.gz QBKQMZGRHYLRRU-MRXNPFEDSA-N 0 3 364.377 1.587 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1C ZINC000073842193 172070164 /nfs/dbraw/zinc/07/01/64/172070164.db2.gz ZSVDBNBMUYLWIF-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN O=C(CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000076902339 172118482 /nfs/dbraw/zinc/11/84/82/172118482.db2.gz PQIOLSNKTAFDST-UHFFFAOYSA-N 0 3 360.458 1.767 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CN2CCCCC2=O)CC1 ZINC000090554412 172267096 /nfs/dbraw/zinc/26/70/96/172267096.db2.gz IDMDIBCVPUAXAW-UHFFFAOYSA-N 0 3 362.430 1.481 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000104370811 172378447 /nfs/dbraw/zinc/37/84/47/172378447.db2.gz VQPCRLMNTSHLDA-HNNXBMFYSA-N 0 3 366.393 1.406 20 5 FDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCNC1=O ZINC000128508968 173111573 /nfs/dbraw/zinc/11/15/73/173111573.db2.gz NRLRYNGEEVDOPN-AWEZNQCLSA-N 0 3 352.366 1.663 20 5 FDBDHN CN1CCN(CCCn2cc(Br)cc([N+](=O)[O-])c2=O)CC1 ZINC000131035115 173188351 /nfs/dbraw/zinc/18/83/51/173188351.db2.gz QXHLMUDHLFETBZ-UHFFFAOYSA-N 0 3 359.224 1.157 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000133535464 173267632 /nfs/dbraw/zinc/26/76/32/173267632.db2.gz WODJALGXOGDEBT-UHFFFAOYSA-N 0 3 364.421 1.834 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCN1CCC(O)CC1 ZINC000135182849 173340682 /nfs/dbraw/zinc/34/06/82/173340682.db2.gz AVMAJABRFUVDTP-UHFFFAOYSA-N 0 3 360.414 1.582 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000161675782 173747396 /nfs/dbraw/zinc/74/73/96/173747396.db2.gz YTZGRBXSXNPZGH-CQSZACIVSA-N 0 3 371.459 1.274 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000164517680 173809601 /nfs/dbraw/zinc/80/96/01/173809601.db2.gz LRXWNTNSYUHDPD-QRTARXTBSA-N 0 3 374.441 1.656 20 5 FDBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177060629 174104113 /nfs/dbraw/zinc/10/41/13/174104113.db2.gz PCXQQFIMKOLRAK-YPMHNXCESA-N 0 3 370.413 1.839 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177108548 174106558 /nfs/dbraw/zinc/10/65/58/174106558.db2.gz KONLAXVMIYPOQT-BZPMIXESSA-N 0 3 360.414 1.455 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177608293 174144650 /nfs/dbraw/zinc/14/46/50/174144650.db2.gz GGWXYMBJNPERJE-WBVHZDCISA-N 0 3 368.434 1.202 20 5 FDBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)c2c(c1)COCO2 ZINC000178484450 174190967 /nfs/dbraw/zinc/19/09/67/174190967.db2.gz QFSARVURRICXNS-AWEZNQCLSA-N 0 3 363.414 1.615 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181154253 174209056 /nfs/dbraw/zinc/20/90/56/174209056.db2.gz PFLAZOMCSBKWQK-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181662441 174240120 /nfs/dbraw/zinc/24/01/20/174240120.db2.gz KCKHAFQJPRYVED-CYBMUJFWSA-N 0 3 366.393 1.911 20 5 FDBDHN C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000173506750 258301210 /nfs/dbraw/zinc/30/12/10/258301210.db2.gz CJLFYWVHJZBHES-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CCN(c2ccncc2)CC1 ZINC000180042404 258361560 /nfs/dbraw/zinc/36/15/60/258361560.db2.gz GXVBHUJFOJXBCH-UHFFFAOYSA-N 0 3 356.386 1.812 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180174510 258363426 /nfs/dbraw/zinc/36/34/26/258363426.db2.gz HFIDXZOSWXZCMG-WBVHZDCISA-N 0 3 367.471 1.883 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)CC1 ZINC000184356260 258380958 /nfs/dbraw/zinc/38/09/58/258380958.db2.gz HKOCSKYGSAQYOM-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000281431561 258659073 /nfs/dbraw/zinc/65/90/73/258659073.db2.gz LGNZTAIKPNVIDX-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000553449484 543638851 /nfs/dbraw/zinc/63/88/51/543638851.db2.gz PVJUHJVVWFIASA-UKRRQHHQSA-N 0 3 361.446 1.156 20 5 FDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553784130 543696409 /nfs/dbraw/zinc/69/64/09/543696409.db2.gz YAIBUTMPBAUXGR-ZQIUZPCESA-N 0 3 374.441 1.513 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCCCC1 ZINC000554790257 543871794 /nfs/dbraw/zinc/87/17/94/543871794.db2.gz XTQKQAACXMZYEF-CQSZACIVSA-N 0 3 366.466 1.819 20 5 FDBDHN NC(=O)c1cccc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000557642867 544323247 /nfs/dbraw/zinc/32/32/47/544323247.db2.gz SZSRHHBRLXTPOW-AWEZNQCLSA-N 0 3 362.430 1.775 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000299547315 259005408 /nfs/dbraw/zinc/00/54/08/259005408.db2.gz KLLVAQQHSOPITL-UHFFFAOYSA-N 0 3 369.425 1.932 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000299729130 259019694 /nfs/dbraw/zinc/01/96/94/259019694.db2.gz WBQYSZTZAJAPMH-ZFWWWQNUSA-N 0 3 362.430 1.949 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301896053 259035469 /nfs/dbraw/zinc/03/54/69/259035469.db2.gz YUMPSZCTHBIKFP-DZGCQCFKSA-N 0 3 371.397 1.136 20 5 FDBDHN CCOc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301972934 259036983 /nfs/dbraw/zinc/03/69/83/259036983.db2.gz UOUSEOXODHZREZ-INIZCTEOSA-N 0 3 362.430 1.912 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000330415402 259143594 /nfs/dbraw/zinc/14/35/94/259143594.db2.gz APCJYYNFGMFDHF-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CCN1CCC(NC(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000331929022 259229444 /nfs/dbraw/zinc/22/94/44/259229444.db2.gz PIRKTXIWQHSROQ-UHFFFAOYSA-N 0 3 364.450 1.029 20 5 FDBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000368754499 260232470 /nfs/dbraw/zinc/23/24/70/260232470.db2.gz VENPQAFZZJMIDR-SFHVURJKSA-N 0 3 359.430 1.397 20 5 FDBDHN C[C@H](CO)N1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000368964221 260269211 /nfs/dbraw/zinc/26/92/11/260269211.db2.gz NPESTTRVOKLOEQ-GFCCVEGCSA-N 0 3 370.837 1.575 20 5 FDBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000369994797 260469310 /nfs/dbraw/zinc/46/93/10/260469310.db2.gz IWICUJYAMGTWIK-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000374623840 261165571 /nfs/dbraw/zinc/16/55/71/261165571.db2.gz XLLLENMFDHHAEC-GOEBONIOSA-N 0 3 364.377 1.835 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375042941 261254854 /nfs/dbraw/zinc/25/48/54/261254854.db2.gz UPKCSKGDEQRGAP-IAQYHMDHSA-N 0 3 354.432 1.033 20 5 FDBDHN CCCN1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000375353223 261320615 /nfs/dbraw/zinc/32/06/15/261320615.db2.gz AVGDBAJUOQMBLR-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccccc3CO)CC2)c1 ZINC000375571732 261372690 /nfs/dbraw/zinc/37/26/90/261372690.db2.gz NKXKEXLDWUSTOK-KRWDZBQOSA-N 0 3 360.414 1.524 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000408145168 262088286 /nfs/dbraw/zinc/08/82/86/262088286.db2.gz QLDPUOBMWPDXOS-WFASDCNBSA-N 0 3 361.398 1.461 20 5 FDBDHN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000270756676 674260982 /nfs/dbraw/zinc/26/09/82/674260982.db2.gz DMIZZELWEYQMFZ-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000523063761 490435829 /nfs/dbraw/zinc/43/58/29/490435829.db2.gz GFBYCAZYZWWODP-UHFFFAOYSA-N 0 3 374.401 1.112 20 5 FDBDHN CCC[NH+]1CCC(NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006879359 518389089 /nfs/dbraw/zinc/38/90/89/518389089.db2.gz UHXQQWJYVOPQNM-UHFFFAOYSA-N 0 3 370.475 1.337 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036526 522209991 /nfs/dbraw/zinc/20/99/91/522209991.db2.gz FJQUWNQDBWBRSK-CHWSQXEVSA-N 0 3 355.416 1.509 20 5 FDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000060061457 522347128 /nfs/dbraw/zinc/34/71/28/522347128.db2.gz ZAZMKDSRXOLFPU-UHFFFAOYSA-N 0 3 368.459 1.885 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000061635704 522482318 /nfs/dbraw/zinc/48/23/18/522482318.db2.gz MCFGKADASXQXHA-UHFFFAOYSA-N 0 3 361.358 1.376 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000061635144 522483584 /nfs/dbraw/zinc/48/35/84/522483584.db2.gz MFNZLPWJMLOIDT-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066223768 522991439 /nfs/dbraw/zinc/99/14/39/522991439.db2.gz FMANEUFPSIUZDB-LBPRGKRZSA-N 0 3 366.805 1.883 20 5 FDBDHN O=C(c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000076921399 523202155 /nfs/dbraw/zinc/20/21/55/523202155.db2.gz KGIYYNOPYKXUDH-UHFFFAOYSA-N 0 3 362.430 1.965 20 5 FDBDHN COc1cc(CCNC(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000139442272 524286786 /nfs/dbraw/zinc/28/67/86/524286786.db2.gz SLJSSOMWEZFKLV-CYBMUJFWSA-N 0 3 366.418 1.548 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000173242350 524351195 /nfs/dbraw/zinc/35/11/95/524351195.db2.gz XSPYBGOCUXTRCK-YPMHNXCESA-N 0 3 357.432 1.564 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000144480594 524389217 /nfs/dbraw/zinc/38/92/17/524389217.db2.gz GMRHDMFORBLNLP-HUUCEWRRSA-N 0 3 365.430 1.837 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000144480740 524389541 /nfs/dbraw/zinc/38/95/41/524389541.db2.gz GMRHDMFORBLNLP-LSDHHAIUSA-N 0 3 365.430 1.837 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122360541 524516826 /nfs/dbraw/zinc/51/68/26/524516826.db2.gz OYNWPLRBAHTAHW-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3ccncc3)CC2)c1 ZINC000151291441 524550354 /nfs/dbraw/zinc/55/03/54/524550354.db2.gz OXKYNMMPEUHCPD-KRWDZBQOSA-N 0 3 358.398 1.552 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000112918063 524594873 /nfs/dbraw/zinc/59/48/73/524594873.db2.gz WROXOHDOVYECPH-UHFFFAOYSA-N 0 3 365.390 1.179 20 5 FDBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538287 524601510 /nfs/dbraw/zinc/60/15/10/524601510.db2.gz PLYBHAFEEIZNTH-GFCCVEGCSA-N 0 3 352.416 1.936 20 5 FDBDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174549975 524625380 /nfs/dbraw/zinc/62/53/80/524625380.db2.gz VMIHWHJCEXMXBE-ZFWWWQNUSA-N 0 3 363.422 1.204 20 5 FDBDHN CN(CCOc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658183 524679340 /nfs/dbraw/zinc/67/93/40/524679340.db2.gz CPCRGLPMWATMRK-AWEZNQCLSA-N 0 3 354.794 1.816 20 5 FDBDHN CN(C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000174847314 524759589 /nfs/dbraw/zinc/75/95/89/524759589.db2.gz DOBLFCQZQUCMDZ-CYBMUJFWSA-N 0 3 353.423 1.980 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152068631 524771630 /nfs/dbraw/zinc/77/16/30/524771630.db2.gz NBWHRKCWGAFRGO-OAHLLOKOSA-N 0 3 361.402 1.365 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000152624049 524948259 /nfs/dbraw/zinc/94/82/59/524948259.db2.gz UEDLWQAZJXLJPL-IJDCCNJMSA-N 0 3 372.425 1.373 20 5 FDBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000093281071 524976910 /nfs/dbraw/zinc/97/69/10/524976910.db2.gz VNEHSTBWOLHRRM-CYBMUJFWSA-N 0 3 351.403 1.668 20 5 FDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000124676718 525049252 /nfs/dbraw/zinc/04/92/52/525049252.db2.gz IUDZILFGLJYUNP-DGCLKSJQSA-N 0 3 374.401 1.264 20 5 FDBDHN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCN(C2CC2)CC1 ZINC000153026083 525082604 /nfs/dbraw/zinc/08/26/04/525082604.db2.gz BLRXHCVFSSEURW-UHFFFAOYSA-N 0 3 358.442 1.696 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCC[C@H]1CO ZINC000161724951 525157959 /nfs/dbraw/zinc/15/79/59/525157959.db2.gz PYVMJTSZBBHGGN-HNNXBMFYSA-N 0 3 371.459 1.418 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000104528667 525417466 /nfs/dbraw/zinc/41/74/66/525417466.db2.gz WHJGMLQLXRRLON-CQSZACIVSA-N 0 3 364.446 1.759 20 5 FDBDHN Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000127834167 525470986 /nfs/dbraw/zinc/47/09/86/525470986.db2.gz ULNBCAORVYLTDJ-INIZCTEOSA-N 0 3 364.446 1.726 20 5 FDBDHN CN1CCO[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000154354474 525505031 /nfs/dbraw/zinc/50/50/31/525505031.db2.gz XQALXWSGJWRHEF-RDJZCZTQSA-N 0 3 358.398 1.807 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164518070 525513442 /nfs/dbraw/zinc/51/34/42/525513442.db2.gz LRXWNTNSYUHDPD-UNEWFSDZSA-N 0 3 374.441 1.656 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)C[C@H](C)O1 ZINC000166107077 525572689 /nfs/dbraw/zinc/57/26/89/525572689.db2.gz XHWUEMHJPVSFMV-BETUJISGSA-N 0 3 365.434 1.290 20 5 FDBDHN CCOCCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106106751 525593937 /nfs/dbraw/zinc/59/39/37/525593937.db2.gz ZOVZBTJOXCBJCJ-UHFFFAOYSA-N 0 3 350.419 1.578 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179514473 525594128 /nfs/dbraw/zinc/59/41/28/525594128.db2.gz KJDCHDRZMDBJHG-STQMWFEESA-N 0 3 373.413 1.857 20 5 FDBDHN Cc1c(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000119204992 525670061 /nfs/dbraw/zinc/67/00/61/525670061.db2.gz CCXPLABXXVUYPO-KRWDZBQOSA-N 0 3 374.441 1.386 20 5 FDBDHN C[C@@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393513 525700809 /nfs/dbraw/zinc/70/08/09/525700809.db2.gz BOIFFOHCWWCOJK-DOMZBBRYSA-N 0 3 369.377 1.903 20 5 FDBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181348981 525843565 /nfs/dbraw/zinc/84/35/65/525843565.db2.gz NWIDBIYJLNFAEJ-CQSZACIVSA-N 0 3 362.430 1.503 20 5 FDBDHN NC(=O)CC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181697391 525896723 /nfs/dbraw/zinc/89/67/23/525896723.db2.gz NSQZKOAWDRYGHN-ZIAGYGMSSA-N 0 3 351.403 1.312 20 5 FDBDHN CS(=O)(=O)NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120112374 525965765 /nfs/dbraw/zinc/96/57/65/525965765.db2.gz JTMNHKCYJLBJPY-UHFFFAOYSA-N 0 3 355.441 1.962 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000120348272 526033702 /nfs/dbraw/zinc/03/37/02/526033702.db2.gz AGUXDFLURNXBKR-UHFFFAOYSA-N 0 3 350.404 1.166 20 5 FDBDHN CC(C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000156115439 526058906 /nfs/dbraw/zinc/05/89/06/526058906.db2.gz PUPADIWQWJNNQY-HNNXBMFYSA-N 0 3 365.434 1.809 20 5 FDBDHN CC(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000156121016 526061949 /nfs/dbraw/zinc/06/19/49/526061949.db2.gz PVLDYOUQYODLMY-HNNXBMFYSA-N 0 3 365.434 1.809 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000156152729 526067803 /nfs/dbraw/zinc/06/78/03/526067803.db2.gz FAVCTSZOZRVOGE-CYBMUJFWSA-N 0 3 365.434 1.608 20 5 FDBDHN CC(C)C(=O)N1CCC(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109146953 526081440 /nfs/dbraw/zinc/08/14/40/526081440.db2.gz LHXZEGWRTVOPFF-QGZVFWFLSA-N 0 3 374.441 1.937 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182651916 535839762 /nfs/dbraw/zinc/83/97/62/535839762.db2.gz SAZYXJCCFIXBHJ-QGZVFWFLSA-N 0 3 358.398 1.831 20 5 FDBDHN COc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184390683 536144039 /nfs/dbraw/zinc/14/40/39/536144039.db2.gz WAWUFWDVTZBRPC-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188545718 536295974 /nfs/dbraw/zinc/29/59/74/536295974.db2.gz FTPZWIOVBPIVTJ-UHFFFAOYSA-N 0 3 360.414 1.994 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189407488 537041869 /nfs/dbraw/zinc/04/18/69/537041869.db2.gz ATFXCIOFHMQCLT-HOCLYGCPSA-N 0 3 367.446 1.112 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190013874 537126682 /nfs/dbraw/zinc/12/66/82/537126682.db2.gz GQXJGCDEFUUQQY-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248441225 537182218 /nfs/dbraw/zinc/18/22/18/537182218.db2.gz VAIIPMFQZDWGKQ-DZGCQCFKSA-N 0 3 362.430 1.574 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCCN(C)C)c2)n1 ZINC000191692156 537210223 /nfs/dbraw/zinc/21/02/23/537210223.db2.gz YLJYXVKCSPXWMT-UHFFFAOYSA-N 0 3 362.390 1.077 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000290135924 537264246 /nfs/dbraw/zinc/26/42/46/537264246.db2.gz BFEGZHSPTFBFPD-UHFFFAOYSA-N 0 3 362.430 1.896 20 5 FDBDHN CN(C)[C@@]1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCSC1 ZINC000272406625 537283110 /nfs/dbraw/zinc/28/31/10/537283110.db2.gz ZPRBBKGHHJQEFL-OAHLLOKOSA-N 0 3 353.400 1.491 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000298777766 537312332 /nfs/dbraw/zinc/31/23/32/537312332.db2.gz XVIRVRDRYLLGFC-AWEZNQCLSA-N 0 3 362.430 1.950 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278414241 537320354 /nfs/dbraw/zinc/32/03/54/537320354.db2.gz FQFWVFMUZJKODC-GFCCVEGCSA-N 0 3 353.423 1.672 20 5 FDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870294 537348211 /nfs/dbraw/zinc/34/82/11/537348211.db2.gz UXORWUFHHFVWAV-KYOSRNDESA-N 0 3 363.418 1.191 20 5 FDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000280582771 537432308 /nfs/dbraw/zinc/43/23/08/537432308.db2.gz SYUVTPOBIJVVHZ-DOTOQJQBSA-N 0 3 373.409 1.883 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000272138280 537534101 /nfs/dbraw/zinc/53/41/01/537534101.db2.gz YWDMVKGPKYHZJR-CHWSQXEVSA-N 0 3 357.407 1.947 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000293884598 537617088 /nfs/dbraw/zinc/61/70/88/537617088.db2.gz LHPRLTGZXADDCF-ZWKOTPCHSA-N 0 3 372.425 1.940 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCCNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000237786709 537640598 /nfs/dbraw/zinc/64/05/98/537640598.db2.gz WUGCNLXAUUVIHK-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291932001 537691931 /nfs/dbraw/zinc/69/19/31/537691931.db2.gz SWDVWTHXYVGVIG-MOPGFXCFSA-N 0 3 374.441 1.469 20 5 FDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]12 ZINC000366477898 537767927 /nfs/dbraw/zinc/76/79/27/537767927.db2.gz BJHDUIXBZVYHTQ-HUUCEWRRSA-N 0 3 355.350 1.949 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416305909 537797544 /nfs/dbraw/zinc/79/75/44/537797544.db2.gz YMYMJQYWGUPENV-INIZCTEOSA-N 0 3 374.441 1.718 20 5 FDBDHN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412087841 537951153 /nfs/dbraw/zinc/95/11/53/537951153.db2.gz RXCDANSIWOXBFZ-KGLIPLIRSA-N 0 3 351.403 1.324 20 5 FDBDHN COC(=O)c1cc(NC(=O)N[C@H]2CNCCC2(F)F)c(C)c([N+](=O)[O-])c1 ZINC000415593408 538080965 /nfs/dbraw/zinc/08/09/65/538080965.db2.gz DXUKOEUHVKWEPL-LBPRGKRZSA-N 0 3 372.328 1.809 20 5 FDBDHN NCc1cn([C@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)nn1 ZINC000420287049 538260824 /nfs/dbraw/zinc/26/08/24/538260824.db2.gz RALQIDIKIRTJDK-JTQLQIEISA-N 0 3 371.323 1.900 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000428962089 538323833 /nfs/dbraw/zinc/32/38/33/538323833.db2.gz JEZRURAKGSHOFI-LJQANCHMSA-N 0 3 372.425 1.642 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000429038066 538329384 /nfs/dbraw/zinc/32/93/84/538329384.db2.gz WAJHAELYNWZARP-UHFFFAOYSA-N 0 3 357.370 1.660 20 5 FDBDHN N[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000429102001 538334722 /nfs/dbraw/zinc/33/47/22/538334722.db2.gz UNIZIEQBWGHTRY-ZIAGYGMSSA-N 0 3 372.381 1.609 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000452367213 538381224 /nfs/dbraw/zinc/38/12/24/538381224.db2.gz PLSNEHBVNWAYCY-GFCCVEGCSA-N 0 3 373.356 1.773 20 5 FDBDHN C[C@H](C(=O)NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452369440 538383329 /nfs/dbraw/zinc/38/33/29/538383329.db2.gz DSWRCBYUKSKXTO-GXTWGEPZSA-N 0 3 353.394 1.800 20 5 FDBDHN C[C@@H](C(=O)NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452369453 538384423 /nfs/dbraw/zinc/38/44/23/538384423.db2.gz DSWRCBYUKSKXTO-TZMCWYRMSA-N 0 3 353.394 1.800 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)nc2c1 ZINC000447670249 538392501 /nfs/dbraw/zinc/39/25/01/538392501.db2.gz LZMLMMZKRIALLX-HZPDHXFCSA-N 0 3 367.409 1.940 20 5 FDBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCO1 ZINC000449882108 538428096 /nfs/dbraw/zinc/42/80/96/538428096.db2.gz VCVJQKUHLNWKJI-CQSZACIVSA-N 0 3 359.386 1.183 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000460271649 538478053 /nfs/dbraw/zinc/47/80/53/538478053.db2.gz RASXJZPLBJJMAD-QGZVFWFLSA-N 0 3 350.419 1.283 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000457919370 538528616 /nfs/dbraw/zinc/52/86/16/538528616.db2.gz IGWBIWICPZMZMW-CQSZACIVSA-N 0 3 366.418 1.249 20 5 FDBDHN COCCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477129631 538603537 /nfs/dbraw/zinc/60/35/37/538603537.db2.gz WNPZDCCFHVGDBT-UHFFFAOYSA-N 0 3 374.463 1.225 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCN1CCCC1)OCCO2 ZINC000477170923 538605944 /nfs/dbraw/zinc/60/59/44/538605944.db2.gz ZMGVMPBAMCMOPX-UHFFFAOYSA-N 0 3 371.415 1.130 20 5 FDBDHN COC(=O)COc1ccc(CNCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000474344374 538835096 /nfs/dbraw/zinc/83/50/96/538835096.db2.gz JEWACMXHWBCRSZ-CQSZACIVSA-N 0 3 365.430 1.968 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905575 538851575 /nfs/dbraw/zinc/85/15/75/538851575.db2.gz KMZNJJSVOPSRSZ-HIFRSBDPSA-N 0 3 364.446 1.984 20 5 FDBDHN COc1ccc(CC(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000562977112 546337511 /nfs/dbraw/zinc/33/75/11/546337511.db2.gz ONJIUXPXJAMLMT-UHFFFAOYSA-N 0 3 371.397 1.589 20 5 FDBDHN NC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000563057211 546375889 /nfs/dbraw/zinc/37/58/89/546375889.db2.gz BUAWYTVXHRMIFY-MRXNPFEDSA-N 0 3 373.388 1.520 20 5 FDBDHN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](N)c1ccccc1 ZINC000563057332 546376075 /nfs/dbraw/zinc/37/60/75/546376075.db2.gz NTXLPNUOAJMTTP-KDOFPFPSSA-N 0 3 369.425 1.975 20 5 FDBDHN C[C@H]1CN(CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCCO1 ZINC000563701131 546651518 /nfs/dbraw/zinc/65/15/18/546651518.db2.gz WYPSWSTVMHRDBN-LBPRGKRZSA-N 0 3 372.447 1.155 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000564587369 546964359 /nfs/dbraw/zinc/96/43/59/546964359.db2.gz WBZLBAFRWJSUKE-GFCCVEGCSA-N 0 3 366.393 1.909 20 5 FDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564854199 547069612 /nfs/dbraw/zinc/06/96/12/547069612.db2.gz JZOVXNQCDXGESR-MELADBBJSA-N 0 3 372.443 1.280 20 5 FDBDHN COCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000564869149 547074588 /nfs/dbraw/zinc/07/45/88/547074588.db2.gz PONYGKNOIUIWPN-UHFFFAOYSA-N 0 3 372.443 1.401 20 5 FDBDHN COC(=O)COc1ccc(CN2CCNC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000564973751 547136174 /nfs/dbraw/zinc/13/61/74/547136174.db2.gz RPRKJSKZKAMCJF-GFCCVEGCSA-N 0 3 359.329 1.186 20 5 FDBDHN Cc1c(C(=O)N[C@H]2CNCCC2(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000566211890 547662296 /nfs/dbraw/zinc/66/22/96/547662296.db2.gz LXBUWBMCAOZUDH-LBPRGKRZSA-N 0 3 366.328 1.211 20 5 FDBDHN Nc1nccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000566747277 547872875 /nfs/dbraw/zinc/87/28/75/547872875.db2.gz FFCKSFNUWVEXLZ-CQSZACIVSA-N 0 3 355.398 1.824 20 5 FDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000567852820 548291810 /nfs/dbraw/zinc/29/18/10/548291810.db2.gz OFSAOTMVRNCLAU-UHFFFAOYSA-N 0 3 364.221 1.517 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cnn(CC(F)(F)F)c1 ZINC000570508847 549305264 /nfs/dbraw/zinc/30/52/64/549305264.db2.gz NNIJBVGTUPFQRU-LBPRGKRZSA-N 0 3 374.319 1.883 20 5 FDBDHN Cc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570720530 549388568 /nfs/dbraw/zinc/38/85/68/549388568.db2.gz HCVVSUUCPJLQIB-IRXDYDNUSA-N 0 3 360.410 1.836 20 5 FDBDHN CSC1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000570861913 549439882 /nfs/dbraw/zinc/43/98/82/549439882.db2.gz OMRYWYAKRAGMOV-UHFFFAOYSA-N 0 3 353.444 1.917 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000570892679 549449317 /nfs/dbraw/zinc/44/93/17/549449317.db2.gz SRXFAFMPPLULRD-GFCCVEGCSA-N 0 3 350.419 1.942 20 5 FDBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571046893 549506562 /nfs/dbraw/zinc/50/65/62/549506562.db2.gz NPXRZHVBYDOXON-SCZZXKLOSA-N 0 3 367.349 1.890 20 5 FDBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000571160569 549547942 /nfs/dbraw/zinc/54/79/42/549547942.db2.gz KBWAEUPTGLVPOC-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1OC(F)F ZINC000574271629 550286609 /nfs/dbraw/zinc/28/66/09/550286609.db2.gz WBKFJKDRRUDLBI-GFCCVEGCSA-N 0 3 372.328 1.552 20 5 FDBDHN O=C(CNC1CC1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574397892 550307758 /nfs/dbraw/zinc/30/77/58/550307758.db2.gz IJQSJHSOFOHXDH-UHFFFAOYSA-N 0 3 358.402 1.262 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000574797820 550372301 /nfs/dbraw/zinc/37/23/01/550372301.db2.gz WUFMMCVFMSMEBO-JTQLQIEISA-N 0 3 363.411 1.750 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000575135734 550432418 /nfs/dbraw/zinc/43/24/18/550432418.db2.gz JUTSRTOVMRKMAV-AWEZNQCLSA-N 0 3 361.377 2.203 20 5 FDBDHN CN1CCN(C)c2cc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2C1 ZINC000575742794 550470887 /nfs/dbraw/zinc/47/08/87/550470887.db2.gz TURMVVRBHMEEDC-INIZCTEOSA-N 0 3 360.418 1.146 20 5 FDBDHN COc1ncccc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576221458 550524656 /nfs/dbraw/zinc/52/46/56/550524656.db2.gz LAOSLLGHDIADKB-UHFFFAOYSA-N 0 3 365.411 1.604 20 5 FDBDHN CSc1cccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000576291215 550532861 /nfs/dbraw/zinc/53/28/61/550532861.db2.gz DIEWKDZBLGAOLQ-JTQLQIEISA-N 0 3 354.432 1.113 20 5 FDBDHN NC(=O)c1cccc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000577479285 550660362 /nfs/dbraw/zinc/66/03/62/550660362.db2.gz XQHOFVWPSABCGR-HNNXBMFYSA-N 0 3 370.409 1.872 20 5 FDBDHN CCOc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000577763714 550692710 /nfs/dbraw/zinc/69/27/10/550692710.db2.gz PWROVEPUZPTTAI-UHFFFAOYSA-N 0 3 374.397 1.969 20 5 FDBDHN Cc1nc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000578064008 550724583 /nfs/dbraw/zinc/72/45/83/550724583.db2.gz MZVFNEMLQPAKAZ-UHFFFAOYSA-N 0 3 355.441 1.966 20 5 FDBDHN NC[C@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000578745572 550796749 /nfs/dbraw/zinc/79/67/49/550796749.db2.gz JMQIVDPCXQTEPM-INIZCTEOSA-N 0 3 374.441 1.503 20 5 FDBDHN CSC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000580248203 550958892 /nfs/dbraw/zinc/95/88/92/550958892.db2.gz ADQPYKJRWJEAHV-UHFFFAOYSA-N 0 3 373.500 1.842 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000589932894 551752588 /nfs/dbraw/zinc/75/25/88/551752588.db2.gz VKKCPXDGQRSZRM-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN COc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000590399690 551780423 /nfs/dbraw/zinc/78/04/23/551780423.db2.gz CZGNUKIQHWIFLC-HOCLYGCPSA-N 0 3 363.414 1.847 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402030 551780762 /nfs/dbraw/zinc/78/07/62/551780762.db2.gz QPLVXRAJDTUEAK-DLBZAZTESA-N 0 3 362.430 1.718 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000590564046 551792670 /nfs/dbraw/zinc/79/26/70/551792670.db2.gz XLDVLXSFOWHYPH-UHFFFAOYSA-N 0 3 352.822 1.568 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000590632637 551800080 /nfs/dbraw/zinc/80/00/80/551800080.db2.gz ZYKSUUHLWYMVPL-HNNXBMFYSA-N 0 3 355.398 1.995 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000590768033 551815073 /nfs/dbraw/zinc/81/50/73/551815073.db2.gz LKXRZJQYMYGEBT-CQSZACIVSA-N 0 3 351.403 1.109 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591681357 551896611 /nfs/dbraw/zinc/89/66/11/551896611.db2.gz LJGZNLCWNQHNFR-UHFFFAOYSA-N 0 3 369.381 1.394 20 5 FDBDHN O=C(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)NC1CCN(C2CC2)CC1 ZINC000592349116 551983233 /nfs/dbraw/zinc/98/32/33/551983233.db2.gz QRCVYGOHADZHJO-UHFFFAOYSA-N 0 3 360.370 1.246 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592878946 552038167 /nfs/dbraw/zinc/03/81/67/552038167.db2.gz IZYKISZMSMRNAI-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CCO2 ZINC000592900323 552040847 /nfs/dbraw/zinc/04/08/47/552040847.db2.gz ZFNVWZAWVJWIPG-UHFFFAOYSA-N 0 3 369.368 1.739 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000593022099 552053637 /nfs/dbraw/zinc/05/36/37/552053637.db2.gz BMBFSOXYGABDJB-AWEZNQCLSA-N 0 3 365.386 1.142 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000593235397 552075559 /nfs/dbraw/zinc/07/55/59/552075559.db2.gz UFLVGCQBJYRLEJ-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)CCN1 ZINC000593481617 552115635 /nfs/dbraw/zinc/11/56/35/552115635.db2.gz KCWPHORMDNYZDU-CQSZACIVSA-N 0 3 369.425 1.934 20 5 FDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594196797 552263647 /nfs/dbraw/zinc/26/36/47/552263647.db2.gz MSPXWWVWBXJIDE-WBVHZDCISA-N 0 3 370.413 1.922 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCNC2(CCCCC2)C1 ZINC000594629025 552345746 /nfs/dbraw/zinc/34/57/46/552345746.db2.gz WTOJVWXELSMUAQ-UHFFFAOYSA-N 0 3 370.413 1.924 20 5 FDBDHN COc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([N+](=O)[O-])cc1[O-] ZINC000594994127 552434318 /nfs/dbraw/zinc/43/43/18/552434318.db2.gz CCYLTCXHZWCHIK-QGZVFWFLSA-N 0 3 354.403 1.966 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCN(C(C)=O)CC1 ZINC000595007261 552436833 /nfs/dbraw/zinc/43/68/33/552436833.db2.gz LLFDVKSDXJHONF-ZDUSSCGKSA-N 0 3 350.419 1.418 20 5 FDBDHN CCN(CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)S(C)(=O)=O ZINC000595015787 552437657 /nfs/dbraw/zinc/43/76/57/552437657.db2.gz HFUZGKATQXQQPF-LBPRGKRZSA-N 0 3 359.448 1.926 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCSCC1 ZINC000595020225 552438341 /nfs/dbraw/zinc/43/83/41/552438341.db2.gz WKHMVKNYBWLKMI-GFCCVEGCSA-N 0 3 359.473 1.748 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000595487057 552570938 /nfs/dbraw/zinc/57/09/38/552570938.db2.gz CUWUTPDFAAIJDF-UHFFFAOYSA-N 0 3 373.417 1.812 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@](CO)(OC)C1 ZINC000595662108 552599310 /nfs/dbraw/zinc/59/93/10/552599310.db2.gz LWIKMISDWJYQPW-QGZVFWFLSA-N 0 3 367.402 1.405 20 5 FDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCC[C@H]12 ZINC000595734620 552608352 /nfs/dbraw/zinc/60/83/52/552608352.db2.gz UMCBEZRCNFHCJG-BZUAXINKSA-N 0 3 363.414 1.810 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC000595772742 552613494 /nfs/dbraw/zinc/61/34/94/552613494.db2.gz NOOBLVYCWWNFHP-UHFFFAOYSA-N 0 3 350.375 1.096 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000595909965 552632038 /nfs/dbraw/zinc/63/20/38/552632038.db2.gz VTPCWLFEPUVDKP-NSHDSACASA-N 0 3 350.297 1.363 20 5 FDBDHN COc1ccc(NC(=O)CN(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595909942 552632071 /nfs/dbraw/zinc/63/20/71/552632071.db2.gz VNSWBOFMDRQNBJ-NSHDSACASA-N 0 3 350.297 1.363 20 5 FDBDHN COC(=O)c1cc(NC(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595930440 552634835 /nfs/dbraw/zinc/63/48/35/552634835.db2.gz QDLUERWAUGREKF-VIFPVBQESA-N 0 3 359.342 1.434 20 5 FDBDHN CN(C)C[C@@H](CO)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596240837 552667737 /nfs/dbraw/zinc/66/77/37/552667737.db2.gz ABTLYHBXNOCMML-ZETCQYMHSA-N 0 3 358.267 1.978 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597606121 552811224 /nfs/dbraw/zinc/81/12/24/552811224.db2.gz UXAYDRLGVWOJOY-LBPRGKRZSA-N 0 3 374.397 1.134 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000597695469 552823116 /nfs/dbraw/zinc/82/31/16/552823116.db2.gz RFAPHZYRFKCPPB-SFHVURJKSA-N 0 3 374.485 1.869 20 5 FDBDHN CN1CCN(CC2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000597696751 552823560 /nfs/dbraw/zinc/82/35/60/552823560.db2.gz YACBEFWEPHNJSD-UHFFFAOYSA-N 0 3 371.441 1.255 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598185391 552873649 /nfs/dbraw/zinc/87/36/49/552873649.db2.gz JCHUSHBTTPAYRT-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598535877 552906722 /nfs/dbraw/zinc/90/67/22/552906722.db2.gz KKAISVCGNQLDHT-LBPRGKRZSA-N 0 3 351.407 1.044 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598535310 552906809 /nfs/dbraw/zinc/90/68/09/552906809.db2.gz ASTYMWIOMXBWNX-HNNXBMFYSA-N 0 3 365.434 1.283 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598624805 552917248 /nfs/dbraw/zinc/91/72/48/552917248.db2.gz HNADOXMVWISEQU-KGLIPLIRSA-N 0 3 362.434 1.284 20 5 FDBDHN COC(=O)COc1ccc(CN[C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598987807 552954466 /nfs/dbraw/zinc/95/44/66/552954466.db2.gz LOZZPPRPVLQSNK-YVEFUNNKSA-N 0 3 350.371 1.804 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCCCC1 ZINC000599009019 552957800 /nfs/dbraw/zinc/95/78/00/552957800.db2.gz XMWLWCTYVZOIPP-CQSZACIVSA-N 0 3 350.423 1.498 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000599024449 552959006 /nfs/dbraw/zinc/95/90/06/552959006.db2.gz QSOCHSDPVQWVIB-WFASDCNBSA-N 0 3 357.432 1.420 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCOCC2)CC[C@H]1CO ZINC000599543289 553083941 /nfs/dbraw/zinc/08/39/41/553083941.db2.gz PDBYHUPCGDZOQT-HNNXBMFYSA-N 0 3 351.403 1.010 20 5 FDBDHN COC(=O)C1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599688316 553121869 /nfs/dbraw/zinc/12/18/69/553121869.db2.gz CIYDUMOHHFOOOT-XEZPLFJOSA-N 0 3 366.414 1.997 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938458 553178338 /nfs/dbraw/zinc/17/83/38/553178338.db2.gz AWCHIAMMTUMCMW-HUUCEWRRSA-N 0 3 371.397 1.062 20 5 FDBDHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599939243 553179528 /nfs/dbraw/zinc/17/95/28/553179528.db2.gz UCASIEIIRNVHFD-YUTCNCBUSA-N 0 3 351.378 1.505 20 5 FDBDHN COc1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600007416 553198274 /nfs/dbraw/zinc/19/82/74/553198274.db2.gz PVINOUMVPZIBBZ-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601105253 553347975 /nfs/dbraw/zinc/34/79/75/553347975.db2.gz WXKPALOUAJKRCW-JTQLQIEISA-N 0 3 364.372 1.785 20 5 FDBDHN Cc1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c([N+](=O)[O-])s1 ZINC000601334563 553378437 /nfs/dbraw/zinc/37/84/37/553378437.db2.gz ASQPGSHUCKGWNG-UHFFFAOYSA-N 0 3 364.493 1.079 20 5 FDBDHN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000601391753 553392391 /nfs/dbraw/zinc/39/23/91/553392391.db2.gz AWXRZLFKHZEWIU-HIFRSBDPSA-N 0 3 364.421 1.832 20 5 FDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000601421915 553401325 /nfs/dbraw/zinc/40/13/25/553401325.db2.gz NAFWNCSIBWIBDI-BXUZGUMPSA-N 0 3 364.427 1.856 20 5 FDBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000602873477 553656314 /nfs/dbraw/zinc/65/63/14/553656314.db2.gz JHCCUDMLRCSFIQ-DOTOQJQBSA-N 0 3 351.447 1.997 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602888660 553660732 /nfs/dbraw/zinc/66/07/32/553660732.db2.gz AIGSXSPXFCFDIV-OAHLLOKOSA-N 0 3 369.491 1.239 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cc3nccs3)CC2)c1 ZINC000602952757 553678249 /nfs/dbraw/zinc/67/82/49/553678249.db2.gz AVJBNOOOLIQMID-AWEZNQCLSA-N 0 3 351.432 1.563 20 5 FDBDHN C[C@@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000603446036 553789875 /nfs/dbraw/zinc/78/98/75/553789875.db2.gz WDIGXJBQXPGACQ-GFCCVEGCSA-N 0 3 360.414 1.912 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000609268851 554354058 /nfs/dbraw/zinc/35/40/58/554354058.db2.gz GJQRQLDWDFZECL-CQSZACIVSA-N 0 3 353.423 1.025 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000609383612 554373712 /nfs/dbraw/zinc/37/37/12/554373712.db2.gz WTVPKIVQKUTMDR-HNNXBMFYSA-N 0 3 360.414 1.315 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609793904 554422303 /nfs/dbraw/zinc/42/23/03/554422303.db2.gz YRBYXOLEYPZCEO-ZDUSSCGKSA-N 0 3 368.865 1.933 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(C)(C)CO)CC1 ZINC000609845854 554428551 /nfs/dbraw/zinc/42/85/51/554428551.db2.gz JIZUKLGOHFGSBI-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609920593 554438547 /nfs/dbraw/zinc/43/85/47/554438547.db2.gz TUDMCEBBOXWXOY-HNNXBMFYSA-N 0 3 374.445 1.306 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000610478194 554516091 /nfs/dbraw/zinc/51/60/91/554516091.db2.gz RIPXFQKIHRLEIO-UHFFFAOYSA-N 0 3 362.390 1.683 20 5 FDBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000611132777 554608610 /nfs/dbraw/zinc/60/86/10/554608610.db2.gz LXCYZMUTDZIPCY-LLVKDONJSA-N 0 3 359.224 1.909 20 5 FDBDHN CC(C)N1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)CC1 ZINC000611181178 554613102 /nfs/dbraw/zinc/61/31/02/554613102.db2.gz DIOZHQPUAUGSEA-UHFFFAOYSA-N 0 3 363.462 1.564 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000611234510 554618312 /nfs/dbraw/zinc/61/83/12/554618312.db2.gz ZRGQNIUAVVOXGD-UHFFFAOYSA-N 0 3 369.425 1.991 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCN(C)CC1 ZINC000611248166 554619438 /nfs/dbraw/zinc/61/94/38/554619438.db2.gz BAHUPOISECOHSH-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(C)(C)O ZINC000615141154 555166440 /nfs/dbraw/zinc/16/64/40/555166440.db2.gz CEHDFXRZCYVLMQ-CYBMUJFWSA-N 0 3 365.430 1.643 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000619254534 555745613 /nfs/dbraw/zinc/74/56/13/555745613.db2.gz MDDXZIXGYAMJEX-KRWDZBQOSA-N 0 3 367.402 1.141 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000619491652 555787965 /nfs/dbraw/zinc/78/79/65/555787965.db2.gz FNFCXHOWVRHJDD-STQMWFEESA-N 0 3 369.443 1.708 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370285 599441020 /nfs/dbraw/zinc/44/10/20/599441020.db2.gz UMBAJULHRCZVHG-NSHDSACASA-N 0 3 374.405 1.083 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370285 599441023 /nfs/dbraw/zinc/44/10/23/599441023.db2.gz UMBAJULHRCZVHG-NSHDSACASA-N 0 3 374.405 1.083 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370284 599441606 /nfs/dbraw/zinc/44/16/06/599441606.db2.gz UMBAJULHRCZVHG-LLVKDONJSA-N 0 3 374.405 1.083 20 5 FDBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370284 599441609 /nfs/dbraw/zinc/44/16/09/599441609.db2.gz UMBAJULHRCZVHG-LLVKDONJSA-N 0 3 374.405 1.083 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@H]2COCC[C@H]21 ZINC000273422997 674535843 /nfs/dbraw/zinc/53/58/43/674535843.db2.gz ZDBNPQQHXVHATO-XPKDYRNWSA-N 0 3 354.428 1.541 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278725327 675186086 /nfs/dbraw/zinc/18/60/86/675186086.db2.gz MIVHRIAZSADSAS-CZUORRHYSA-N 0 3 353.444 1.986 20 5 FDBDHN COC[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289663256 676164168 /nfs/dbraw/zinc/16/41/68/676164168.db2.gz ZCTCUOMMPVUJPD-LLVKDONJSA-N 0 3 366.155 1.296 20 5 FDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366229222 677424139 /nfs/dbraw/zinc/42/41/39/677424139.db2.gz YYRHHGKDBFYEEK-CQSZACIVSA-N 0 3 359.835 1.965 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN1CCOCC1 ZINC000412001236 679140910 /nfs/dbraw/zinc/14/09/10/679140910.db2.gz GKZLJVBBSBMYIO-UHFFFAOYSA-N 0 3 350.419 1.542 20 5 FDBDHN CN1C[C@@H]2CCCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425214116 680886038 /nfs/dbraw/zinc/88/60/38/680886038.db2.gz INMUGYQIWIVPAZ-GOEBONIOSA-N 0 3 353.444 1.493 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000433350518 681180394 /nfs/dbraw/zinc/18/03/94/681180394.db2.gz FMANYLCKLQMSJN-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440089272 681968973 /nfs/dbraw/zinc/96/89/73/681968973.db2.gz PYMFUXVXSVVYNR-NSHDSACASA-N 0 3 373.431 1.375 20 5 FDBDHN CN1CCN(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1(C)C ZINC000440683495 682018486 /nfs/dbraw/zinc/01/84/86/682018486.db2.gz YDDHZXQWZWWQKR-UHFFFAOYSA-N 0 3 370.475 1.436 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000458589750 684288196 /nfs/dbraw/zinc/28/81/96/684288196.db2.gz RGKPLUAJNJOXMA-MRXNPFEDSA-N 0 3 350.419 1.283 20 5 FDBDHN Cc1cc(NCCCCN2CCN(CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000461963305 684604713 /nfs/dbraw/zinc/60/47/13/684604713.db2.gz ICAQYPFUKRIYLA-UHFFFAOYSA-N 0 3 354.426 1.844 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472619792 685228140 /nfs/dbraw/zinc/22/81/40/685228140.db2.gz SACHSZCHXVLJAX-CYBMUJFWSA-N 0 3 352.366 1.663 20 5 FDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000480735471 686216697 /nfs/dbraw/zinc/21/66/97/686216697.db2.gz GCNOKKSLRIUZDF-SNVBAGLBSA-N 0 3 363.411 1.751 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](OC)[C@H](OC)C1 ZINC000488028800 687022718 /nfs/dbraw/zinc/02/27/18/687022718.db2.gz VEJCQPRSKPJQGZ-HUUCEWRRSA-N 0 3 353.375 1.278 20 5 FDBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000493442286 687426120 /nfs/dbraw/zinc/42/61/20/687426120.db2.gz KSHJALMPPNPCTN-GOEBONIOSA-N 0 3 351.359 1.403 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000498923586 687879910 /nfs/dbraw/zinc/87/99/10/687879910.db2.gz QDWRYCWMOYUEBW-OLZOCXBDSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1cc(CNCCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1OC ZINC000507817969 688678900 /nfs/dbraw/zinc/67/89/00/688678900.db2.gz BGKNQJXXAVEDAP-UHFFFAOYSA-N 0 3 372.443 1.917 20 5 FDBDHN O=C(CC(F)(F)F)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000511073541 689459336 /nfs/dbraw/zinc/45/93/36/689459336.db2.gz LKRPAKUACVEAPI-LLVKDONJSA-N 0 3 363.340 1.572 20 5 FDBDHN CSC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000515257711 689834658 /nfs/dbraw/zinc/83/46/58/689834658.db2.gz YPPFSIJQNHOHGC-UHFFFAOYSA-N 0 3 360.461 1.096 20 5 FDBDHN CS[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000537925855 694910173 /nfs/dbraw/zinc/91/01/73/694910173.db2.gz XPSNULHLRKELIZ-HIFRSBDPSA-N 0 3 353.444 1.868 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164683866 719700457 /nfs/dbraw/zinc/70/04/57/719700457.db2.gz LMNYANMLCTWAPE-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164682584 719712186 /nfs/dbraw/zinc/71/21/86/719712186.db2.gz GCZPBUWBPVYZSI-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164686804 719732136 /nfs/dbraw/zinc/73/21/36/719732136.db2.gz UKTMYDVXWSXMJP-UHFFFAOYSA-N 0 3 372.429 1.652 20 5 FDBDHN O=Cc1ccc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277612488 782873053 /nfs/dbraw/zinc/87/30/53/782873053.db2.gz VLRRNDYFWCHTEZ-HNNXBMFYSA-N 0 3 361.398 1.919 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177123048 772628959 /nfs/dbraw/zinc/62/89/59/772628959.db2.gz JKNMINWGKUSVRA-GHMZBOCLSA-N 0 3 356.382 1.791 20 5 FDBDHN CN(C)C(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452017665 787343992 /nfs/dbraw/zinc/34/39/92/787343992.db2.gz PZLVWBRWPHWWAA-CQSZACIVSA-N 0 3 363.418 1.659 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000452372689 793926141 /nfs/dbraw/zinc/92/61/41/793926141.db2.gz VCBKGCRJKDKRSW-AWEZNQCLSA-N 0 3 373.413 1.357 20 5 FDBDHN Cc1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)sn1 ZINC000981763021 808448653 /nfs/dbraw/zinc/44/86/53/808448653.db2.gz BNPFFSAUQPYHIY-ZIAGYGMSSA-N 0 3 350.444 1.541 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000279188544 808579158 /nfs/dbraw/zinc/57/91/58/808579158.db2.gz JRAASTLSXHCAIX-AWEZNQCLSA-N 0 3 362.430 1.718 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729254522 811080850 /nfs/dbraw/zinc/08/08/50/811080850.db2.gz DXSULRDFOOATRX-AWEZNQCLSA-N 0 3 350.419 1.501 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC000501778752 813661024 /nfs/dbraw/zinc/66/10/24/813661024.db2.gz VQIVDRKVJDOERO-GPMSIDNRSA-N 0 3 373.457 1.747 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000895065128 819833745 /nfs/dbraw/zinc/83/37/45/819833745.db2.gz DGRVWBYUULENCW-IAOVAPTHSA-N 0 3 362.430 1.896 20 5 FDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729504867 819993238 /nfs/dbraw/zinc/99/32/38/819993238.db2.gz FHEIDAXHNVFDFX-HOTGVXAUSA-N 0 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CC(C)[C@@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCN1C ZINC000485732784 852798784 /nfs/dbraw/zinc/79/87/84/852798784.db2.gz KVZVOMJJCYWEER-HOTGVXAUSA-N 0 3 360.414 1.499 20 5 FDBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000486247091 854080018 /nfs/dbraw/zinc/08/00/18/854080018.db2.gz YFMDOZGJRHPDDB-LBPRGKRZSA-N 0 3 370.400 1.415 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c1C ZINC000907554044 854353721 /nfs/dbraw/zinc/35/37/21/854353721.db2.gz INVIPEVZROTVFN-CJNGLKHVSA-N 0 3 353.444 1.784 20 5 FDBDHN COc1cc(CN2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000489085486 859181960 /nfs/dbraw/zinc/18/19/60/859181960.db2.gz YILOGAWYXIKJFK-UHFFFAOYSA-N 0 3 362.430 1.343 20 5 FDBDHN COC(=O)CC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000489973979 860216256 /nfs/dbraw/zinc/21/62/56/860216256.db2.gz WEEUUJSPCDCFLF-UHFFFAOYSA-N 0 3 365.386 1.544 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000490305247 861112661 /nfs/dbraw/zinc/11/26/61/861112661.db2.gz CIRCLBWNEULVFA-HOCLYGCPSA-N 0 3 372.429 1.926 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000490305245 861112787 /nfs/dbraw/zinc/11/27/87/861112787.db2.gz CIRCLBWNEULVFA-GDBMZVCRSA-N 0 3 372.429 1.926 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760867645 863367546 /nfs/dbraw/zinc/36/75/46/863367546.db2.gz RRAKLTOBDADNQO-ZDUSSCGKSA-N 0 3 358.192 1.154 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc([N+](=O)[O-])c1C ZINC000574082593 863680697 /nfs/dbraw/zinc/68/06/97/863680697.db2.gz VCHZISYIKYZDOE-AWEZNQCLSA-N 0 3 374.401 1.439 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c1C ZINC000916666662 882024725 /nfs/dbraw/zinc/02/47/25/882024725.db2.gz XTYZIWRDZTUQBY-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN O=[N+]([O-])c1cccc(CCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000914302799 872272838 /nfs/dbraw/zinc/27/28/38/872272838.db2.gz XTADEIIONHTIRA-INIZCTEOSA-N 0 3 353.444 1.543 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000916966600 882736546 /nfs/dbraw/zinc/73/65/46/882736546.db2.gz CVNPGGYWHNHNFK-BBWFWOEESA-N 0 3 368.336 1.591 20 5 FDBDHN CO[C@]1(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922619923 878834030 /nfs/dbraw/zinc/83/40/30/878834030.db2.gz WDEOENQLVJPBER-OIQJVACTSA-N 0 3 354.428 1.791 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000272690908 879098436 /nfs/dbraw/zinc/09/84/36/879098436.db2.gz WYWWIGFGLHBNGT-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN CCN(CC)CCOC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000917510483 883500535 /nfs/dbraw/zinc/50/05/35/883500535.db2.gz XTDJADCQHPEKRX-UHFFFAOYSA-N 0 3 374.397 1.948 20 5 FDBDHN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000497861343 883791825 /nfs/dbraw/zinc/79/18/25/883791825.db2.gz XAXMGSVDMLPHAS-UHFFFAOYSA-N 0 3 372.429 1.502 20 5 FDBDHN CN1C[C@@]2(C)CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918360723 884368965 /nfs/dbraw/zinc/36/89/65/884368965.db2.gz UMMIXSMXISPYDZ-IRXDYDNUSA-N 0 3 367.471 1.741 20 5 FDBDHN COc1ccnc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)c1 ZINC001034815641 885140907 /nfs/dbraw/zinc/14/09/07/885140907.db2.gz ADNDXBCBLLIIIV-QZTJIDSGSA-N 0 3 370.409 1.661 20 5 FDBDHN COC[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000265787305 892929063 /nfs/dbraw/zinc/92/90/63/892929063.db2.gz LQGGKFGEDRPRPC-HNNXBMFYSA-N 0 3 362.430 1.212 20 5 FDBDHN CN(C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001002788135 893955024 /nfs/dbraw/zinc/95/50/24/893955024.db2.gz NTSHMACYYMNZLM-HZPDHXFCSA-N 0 3 366.462 1.023 20 5 FDBDHN COc1cc(CCN[C@H](Cc2ccccc2)C(N)=O)c([N+](=O)[O-])cc1OC ZINC000273522127 896926234 /nfs/dbraw/zinc/92/62/34/896926234.db2.gz SSCWRCLBJJDGIT-OAHLLOKOSA-N 0 3 373.409 1.841 20 5 FDBDHN CC(C)(C)C(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079165996 902096244 /nfs/dbraw/zinc/09/62/44/902096244.db2.gz PIZZBNTXDKTGNV-HUUCEWRRSA-N 0 3 368.478 1.128 20 5 FDBDHN CS[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000765267085 906669374 /nfs/dbraw/zinc/66/93/74/906669374.db2.gz BZCHYFPGBNOVIV-GJZGRUSLSA-N 0 3 363.443 1.449 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000730456868 916832814 /nfs/dbraw/zinc/83/28/14/916832814.db2.gz LMYFBCVJPNLFLI-UKRRQHHQSA-N 0 3 356.386 1.329 20 5 FDBDHN COC(=O)C[C@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCCOC1 ZINC000770697589 930208332 /nfs/dbraw/zinc/20/83/32/930208332.db2.gz CBQBAIJTFCWKDD-QGZVFWFLSA-N 0 3 368.386 1.684 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000822879183 945280915 /nfs/dbraw/zinc/28/09/15/945280915.db2.gz QLQVESYDWOGXKU-LSDHHAIUSA-N 0 3 371.397 1.374 20 5 FDBDHN CN(C)CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000807268778 940288740 /nfs/dbraw/zinc/28/87/40/940288740.db2.gz UNPYXMZYSGIXLU-UHFFFAOYSA-N 0 3 350.375 1.988 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001131096847 940497420 /nfs/dbraw/zinc/49/74/20/940497420.db2.gz ZUCZVSVFJURRMR-CYBMUJFWSA-N 0 3 358.402 1.778 20 5 FDBDHN CC(COC(=O)CN1C(=O)COc2cc(Br)ccc21)[N+](=O)[O-] ZINC000813112002 941335271 /nfs/dbraw/zinc/33/52/71/941335271.db2.gz MHNBGHTUMYDTBZ-QMMMGPOBSA-N 0 3 373.159 1.383 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813112789 941335672 /nfs/dbraw/zinc/33/56/72/941335672.db2.gz LHKHFQWRCYLYAX-ZFWWWQNUSA-N 0 3 370.427 1.437 20 5 FDBDHN COc1ccc([C@@H]2[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000813112572 941335984 /nfs/dbraw/zinc/33/59/84/941335984.db2.gz INWBENBMZCMHHM-HZUKXOBISA-N 0 3 350.371 1.813 20 5 FDBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[N+](=O)[O-] ZINC000813114957 941336174 /nfs/dbraw/zinc/33/61/74/941336174.db2.gz YLBCXDVDTLUFQB-LLVKDONJSA-N 0 3 374.390 1.435 20 5 FDBDHN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625416 941921517 /nfs/dbraw/zinc/92/15/17/941921517.db2.gz CSMVKCJNJYSYTQ-DGCLKSJQSA-N 0 3 356.448 1.642 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816751086 942332876 /nfs/dbraw/zinc/33/28/76/942332876.db2.gz ZCXURRTXMFUZSB-GJZGRUSLSA-N 0 3 364.358 1.438 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]12CCOC2 ZINC001195487980 970987405 /nfs/dbraw/zinc/98/74/05/970987405.db2.gz MOUHDODUCKKIPE-BBRMVZONSA-N 0 3 369.443 1.232 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000819308088 943512228 /nfs/dbraw/zinc/51/22/28/943512228.db2.gz DSNCNTZGWUDBSR-ZIAGYGMSSA-N 0 3 363.336 1.481 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823565656 945851411 /nfs/dbraw/zinc/85/14/11/945851411.db2.gz AZDOINJFNSRKCO-UHOFOFEASA-N 0 3 360.414 1.277 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000823565884 945851908 /nfs/dbraw/zinc/85/19/08/945851908.db2.gz CXYOKXLZGLEDFQ-LLVKDONJSA-N 0 3 366.443 1.509 20 5 FDBDHN O=[N+]([O-])c1ccc(CCN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856541613 971222036 /nfs/dbraw/zinc/22/20/36/971222036.db2.gz FRDNBWGWIMGZPV-ZWKOTPCHSA-N 0 3 354.410 1.988 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC[C@H]2CCCO2)c1 ZINC000844765554 948395553 /nfs/dbraw/zinc/39/55/53/948395553.db2.gz PVENTXDLIFWZEL-CYBMUJFWSA-N 0 3 367.358 1.575 20 5 FDBDHN CC([C@@H](OC(=O)Cc1nc2ncccn2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845875132 950047862 /nfs/dbraw/zinc/04/78/62/950047862.db2.gz LRUTXVDDKZDYAN-ZUZCIYMTSA-N 0 3 359.317 1.756 20 5 FDBDHN COC(=O)C[C@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001197104386 972099039 /nfs/dbraw/zinc/09/90/39/972099039.db2.gz CJWCTTLZYCJDMC-INIZCTEOSA-N 0 3 370.427 1.690 20 5 FDBDHN CN1CCC(O)(C(=O)Nc2cc3nc4ccccc4nc3cc2N)CC1 ZINC001182033601 961353375 /nfs/dbraw/zinc/35/33/75/961353375.db2.gz KOGKBMGDWHTCMR-UHFFFAOYSA-N 0 3 351.410 1.760 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C[C@@H](F)C[C@H]2C1 ZINC001176777353 963535270 /nfs/dbraw/zinc/53/52/70/963535270.db2.gz LLLZRMOGBMWWAU-ZFWWWQNUSA-N 0 3 350.394 1.960 20 5 FDBDHN O=C([C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000776574655 967132276 /nfs/dbraw/zinc/13/22/76/967132276.db2.gz KIESLCMRIUFRSX-RDJZCZTQSA-N 0 3 363.414 1.199 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852296958 967195487 /nfs/dbraw/zinc/19/54/87/967195487.db2.gz CYSFUDQPFVLICX-UHFFFAOYSA-N 0 3 374.397 1.802 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853508047 968063568 /nfs/dbraw/zinc/06/35/68/968063568.db2.gz ISPJMNRSLVNPCM-CQSZACIVSA-N 0 3 374.445 1.588 20 5 FDBDHN CCN(Cc1nonc1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713101 1013854928 /nfs/dbraw/zinc/85/49/28/1013854928.db2.gz MAMABUIVEUGEPQ-UKRRQHHQSA-N 0 3 351.407 1.104 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849293058 977403130 /nfs/dbraw/zinc/40/31/30/977403130.db2.gz PFXOVDGWSPDCTA-UHFFFAOYSA-N 0 3 353.448 1.243 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000849503245 977698091 /nfs/dbraw/zinc/69/80/91/977698091.db2.gz WRYJHOJURWAXFE-CVEARBPZSA-N 0 3 357.414 1.680 20 5 FDBDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000849591022 977798219 /nfs/dbraw/zinc/79/82/19/977798219.db2.gz BMBDJGNJHSZFMN-KGLIPLIRSA-N 0 3 358.402 1.585 20 5 FDBDHN CC([C@H](OC(=O)CN1CCN(C2CC2)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000851108597 978786417 /nfs/dbraw/zinc/78/64/17/978786417.db2.gz OQIFSYSWNQENMI-BZNIZROVSA-N 0 3 365.361 1.975 20 5 FDBDHN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCN1CCCCC1 ZINC000858983182 982430813 /nfs/dbraw/zinc/43/08/13/982430813.db2.gz CLMQJAWGDZMYSC-UHFFFAOYSA-N 0 3 361.354 1.220 20 5 FDBDHN C[C@@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033867 987444900 /nfs/dbraw/zinc/44/49/00/987444900.db2.gz HAKPCIORHOMLFS-CABCVRRESA-N 0 3 366.437 1.791 20 5 FDBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872261592 987555854 /nfs/dbraw/zinc/55/58/54/987555854.db2.gz IADVJCKKFJEDEQ-CLROSIBMSA-N 0 3 350.415 1.816 20 5 FDBDHN CC(C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796576404 1015330424 /nfs/dbraw/zinc/33/04/24/1015330424.db2.gz GBTQUPYJXZYIKP-CYBMUJFWSA-N 0 3 351.403 1.325 20 5 FDBDHN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CCN(C)CC1 ZINC000365929237 988235165 /nfs/dbraw/zinc/23/51/65/988235165.db2.gz HOWXWTSEDUNUNU-ZDUSSCGKSA-N 0 3 362.434 1.788 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000370415808 989726499 /nfs/dbraw/zinc/72/64/99/989726499.db2.gz PVWZMTMCNCWEAB-ZDUSSCGKSA-N 0 3 364.450 1.121 20 5 FDBDHN O=C1NC(=O)[C@]2(CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C2)N1 ZINC000371045427 990202289 /nfs/dbraw/zinc/20/22/89/990202289.db2.gz WMIBDOYCHHFWMD-HXUWFJFHSA-N 0 3 363.373 1.730 20 5 FDBDHN O=C([C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)N1CCCC1 ZINC000371443036 990434334 /nfs/dbraw/zinc/43/43/34/990434334.db2.gz NFXIKOPQSIQUNV-INIZCTEOSA-N 0 3 374.441 1.481 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874851013 990580326 /nfs/dbraw/zinc/58/03/26/990580326.db2.gz YYACZBIGXZWIKF-CVEARBPZSA-N 0 3 360.414 1.328 20 5 FDBDHN COc1ccc(OCCN2CCC3(CCN(C)C3=O)CC2)c([N+](=O)[O-])c1 ZINC000373174416 991976516 /nfs/dbraw/zinc/97/65/16/991976516.db2.gz VWAZZQHFVLJQIO-UHFFFAOYSA-N 0 3 363.414 1.927 20 5 FDBDHN CN1CC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879579650 995039459 /nfs/dbraw/zinc/03/94/59/995039459.db2.gz APWGHGLYHUVLJF-XJKSGUPXSA-N 0 3 353.444 1.395 20 5 FDBDHN Cc1nn(C)c(N2CCN(CCN(C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000264056897 997389592 /nfs/dbraw/zinc/38/95/92/997389592.db2.gz CRVSFAOUAHGWCT-UHFFFAOYSA-N 0 3 372.473 1.891 20 5 FDBDHN C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2)C[C@@H](C)O1 ZINC000285348495 999910620 /nfs/dbraw/zinc/91/06/20/999910620.db2.gz ZLLVQMBDFCJSFS-CHWSQXEVSA-N 0 3 373.413 1.857 20 5 FDBDHN CN1CC[C@H]2OCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285912536 999925056 /nfs/dbraw/zinc/92/50/56/999925056.db2.gz UAPNYHJXCGDBCS-IAGOWNOFSA-N 0 3 362.430 1.718 20 5 FDBDHN COc1ccc(OCCN2C[C@@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286012790 999931188 /nfs/dbraw/zinc/93/11/88/999931188.db2.gz PMVOVOQSBHJCJF-CABCVRRESA-N 0 3 365.430 1.777 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000288454772 1000018807 /nfs/dbraw/zinc/01/88/07/1000018807.db2.gz JMXHXTJMIKMZCA-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931915244 1004604102 /nfs/dbraw/zinc/60/41/02/1004604102.db2.gz OINBLPLYKJBRSM-GHMZBOCLSA-N 0 3 352.288 1.519 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932202110 1004826077 /nfs/dbraw/zinc/82/60/77/1004826077.db2.gz UOUOWOUPYSSWAN-JSGCOSHPSA-N 0 3 351.432 1.563 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000936005249 1006228927 /nfs/dbraw/zinc/22/89/27/1006228927.db2.gz JSVRUYWLIFXESO-XJKSGUPXSA-N 0 3 357.414 1.879 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192828104 178135476 /nfs/dbraw/zinc/13/54/76/178135476.db2.gz MVMZHIRZHOHABH-UONOGXRCSA-N 0 3 353.419 1.369 20 5 FDBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194929013 178230629 /nfs/dbraw/zinc/23/06/29/178230629.db2.gz RLVGOEUHLFZPQF-UHFFFAOYSA-N 0 3 357.414 1.914 20 5 FDBDHN CCCC[C@@H](CN)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000236894588 178287100 /nfs/dbraw/zinc/28/71/00/178287100.db2.gz IPZVMMXFBSYWML-ZDUSSCGKSA-N 0 3 373.413 1.696 20 5 FDBDHN COCCNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237285203 178306141 /nfs/dbraw/zinc/30/61/41/178306141.db2.gz TYCVUEVTWGGAHY-UHFFFAOYSA-N 0 3 360.208 1.252 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238074918 178346920 /nfs/dbraw/zinc/34/69/20/178346920.db2.gz SHOYBZUVGKEWPG-INIZCTEOSA-N 0 3 354.410 1.813 20 5 FDBDHN CCCN1CCC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000510987239 538958052 /nfs/dbraw/zinc/95/80/52/538958052.db2.gz RSDBAPITXSRYRY-INIZCTEOSA-N 0 3 355.460 1.931 20 5 FDBDHN CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518942190 539459165 /nfs/dbraw/zinc/45/91/65/539459165.db2.gz ZXTQRABYSDNMOV-CHWSQXEVSA-N 0 3 364.402 1.250 20 5 FDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000521996717 539527204 /nfs/dbraw/zinc/52/72/04/539527204.db2.gz ZVRGYNBMNIROJW-KKUMJFAQSA-N 0 3 365.430 1.714 20 5 FDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000522043034 539536391 /nfs/dbraw/zinc/53/63/91/539536391.db2.gz FOSDDYVAMPAUJS-INIZCTEOSA-N 0 3 360.414 1.267 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264499710 179124247 /nfs/dbraw/zinc/12/42/47/179124247.db2.gz KEROROFJIMDQJN-HNNXBMFYSA-N 0 3 370.413 1.876 20 5 FDBDHN CNC(=O)c1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000265528180 179399285 /nfs/dbraw/zinc/39/92/85/179399285.db2.gz TXWYJPKRLNUIFX-UHFFFAOYSA-N 0 3 362.430 1.503 20 5 FDBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000524255402 539640001 /nfs/dbraw/zinc/64/00/01/539640001.db2.gz ZCUOGGFEHGPYFQ-HNNXBMFYSA-N 0 3 362.474 1.872 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000524682353 539657178 /nfs/dbraw/zinc/65/71/78/539657178.db2.gz WGYHTMWGRXFDRM-UHFFFAOYSA-N 0 3 366.393 1.406 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000527475052 539704049 /nfs/dbraw/zinc/70/40/49/539704049.db2.gz JCVWVRBMTLWKPT-FQEVSTJZSA-N 0 3 369.421 1.891 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000267233755 179794083 /nfs/dbraw/zinc/79/40/83/179794083.db2.gz HHQAVVNBQOOUAM-UHFFFAOYSA-N 0 3 361.446 1.277 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000268842660 180167025 /nfs/dbraw/zinc/16/70/25/180167025.db2.gz OUNQWSRVDLXMKU-KRWDZBQOSA-N 0 3 369.425 1.886 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269596001 180337027 /nfs/dbraw/zinc/33/70/27/180337027.db2.gz DYDCFQSXOGXFDO-UHFFFAOYSA-N 0 3 350.419 1.513 20 5 FDBDHN COc1c(C(=O)NCCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000530368818 539954018 /nfs/dbraw/zinc/95/40/18/539954018.db2.gz MLCDWSXBUBIDAL-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CN(C)CCOc1ccccc1N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273596000 180943191 /nfs/dbraw/zinc/94/31/91/180943191.db2.gz IJXYOFKHNACLJD-UHFFFAOYSA-N 0 3 372.429 1.652 20 5 FDBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000273995283 181008803 /nfs/dbraw/zinc/00/88/03/181008803.db2.gz KCPVKCLAKVPPDP-MNOVXSKESA-N 0 3 353.375 1.719 20 5 FDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274377053 181081077 /nfs/dbraw/zinc/08/10/77/181081077.db2.gz PXWWENHTSZPUPE-GFCCVEGCSA-N 0 3 364.427 1.715 20 5 FDBDHN CN(C(=O)CN(CC(C)(C)O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533023498 540194914 /nfs/dbraw/zinc/19/49/14/540194914.db2.gz FHWTYSOSMGSZRS-UHFFFAOYSA-N 0 3 365.430 1.810 20 5 FDBDHN CCOc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000539268927 540941190 /nfs/dbraw/zinc/94/11/90/540941190.db2.gz YCHVCOUNERBNGX-SWLSCSKDSA-N 0 3 364.402 1.910 20 5 FDBDHN C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000539293396 540943664 /nfs/dbraw/zinc/94/36/64/540943664.db2.gz SGJUWTWFSMVXSR-CQSZACIVSA-N 0 3 351.451 1.791 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000275467330 181324708 /nfs/dbraw/zinc/32/47/08/181324708.db2.gz CLQOAPHIFJWQCA-AWEZNQCLSA-N 0 3 367.402 1.669 20 5 FDBDHN COC(=O)CNC(=O)c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000540288884 541042676 /nfs/dbraw/zinc/04/26/76/541042676.db2.gz KPKMLXSZZIJBNM-GFCCVEGCSA-N 0 3 364.402 1.251 20 5 FDBDHN CN(C)CCOc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000540975023 541128805 /nfs/dbraw/zinc/12/88/05/541128805.db2.gz NBNWAQYVMKJZTR-UHFFFAOYSA-N 0 3 374.397 1.739 20 5 FDBDHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000541830530 541275712 /nfs/dbraw/zinc/27/57/12/541275712.db2.gz PPKRUNYHHJCYKE-UHFFFAOYSA-N 0 3 359.448 1.540 20 5 FDBDHN Cc1c(Br)cc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545153817 541882578 /nfs/dbraw/zinc/88/25/78/541882578.db2.gz YKQZMUGTYWRMRY-CQSZACIVSA-N 0 3 372.219 1.462 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCO1 ZINC000282880259 182070630 /nfs/dbraw/zinc/07/06/30/182070630.db2.gz VHIQUBOZNWEKSM-NSHDSACASA-N 0 3 354.382 1.547 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000282919209 182076264 /nfs/dbraw/zinc/07/62/64/182076264.db2.gz YHTIIFUJYNFCTI-NSHDSACASA-N 0 3 366.393 1.971 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000284191130 182395603 /nfs/dbraw/zinc/39/56/03/182395603.db2.gz YXFBKKMZRDORDR-UHFFFAOYSA-N 0 3 364.446 1.703 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000295315916 184058201 /nfs/dbraw/zinc/05/82/01/184058201.db2.gz CCZZALPRWWGZMH-AWEZNQCLSA-N 0 3 350.419 1.360 20 5 FDBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295786759 184104959 /nfs/dbraw/zinc/10/49/59/184104959.db2.gz ZJEDQAXNKURMRO-JCKWVBRZSA-N 0 3 355.394 1.909 20 5 FDBDHN COC[C@]1(C(=O)OC)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296361760 184157531 /nfs/dbraw/zinc/15/75/31/184157531.db2.gz QXOYWXANNTWFMY-KRWDZBQOSA-N 0 3 368.386 1.494 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296865466 184208826 /nfs/dbraw/zinc/20/88/26/184208826.db2.gz JSGJEAXNQKHTTC-RYUDHWBXSA-N 0 3 366.393 1.922 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296865464 184208870 /nfs/dbraw/zinc/20/88/70/184208870.db2.gz JSGJEAXNQKHTTC-NEPJUHHUSA-N 0 3 366.393 1.922 20 5 FDBDHN CNc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000547783893 542446858 /nfs/dbraw/zinc/44/68/58/542446858.db2.gz DNCPQKKTZRDWKF-UHFFFAOYSA-N 0 3 363.462 1.782 20 5 FDBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548387054 542653733 /nfs/dbraw/zinc/65/37/33/542653733.db2.gz QCGXRGLKETWCIM-HNNXBMFYSA-N 0 3 369.425 2.166 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173258900 258294749 /nfs/dbraw/zinc/29/47/49/258294749.db2.gz XMCBCYDLKLJAKY-TZMCWYRMSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCCC1 ZINC000550134180 543017791 /nfs/dbraw/zinc/01/77/91/543017791.db2.gz XMAONNJVWZCPKX-CQSZACIVSA-N 0 3 362.430 1.244 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552026588 543407814 /nfs/dbraw/zinc/40/78/14/543407814.db2.gz VVJZKDWBAIOAGO-PXAZEXFGSA-N 0 3 365.455 1.648 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072798558 172049582 /nfs/dbraw/zinc/04/95/82/172049582.db2.gz KGVWOAWXIWZEPZ-CQSZACIVSA-N 0 3 350.419 1.312 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000073463024 172063547 /nfs/dbraw/zinc/06/35/47/172063547.db2.gz KRACOVCPFLFWIP-HNNXBMFYSA-N 0 3 358.402 1.698 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000075746181 172095308 /nfs/dbraw/zinc/09/53/08/172095308.db2.gz TYDMWEYLVBHOGV-HNNXBMFYSA-N 0 3 364.377 1.835 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080184638 172170695 /nfs/dbraw/zinc/17/06/95/172170695.db2.gz ZVVJLBIWUVGOAG-UHFFFAOYSA-N 0 3 363.462 1.127 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(Cc2ccccc2)CC1 ZINC000090512037 172265777 /nfs/dbraw/zinc/26/57/77/172265777.db2.gz UOLVSPPQRCFDQB-UHFFFAOYSA-N 0 3 356.426 1.964 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000131122559 173191525 /nfs/dbraw/zinc/19/15/25/173191525.db2.gz VUGQIARXRWKORH-VXGBXAGGSA-N 0 3 351.407 1.279 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000131859298 173214951 /nfs/dbraw/zinc/21/49/51/173214951.db2.gz APMZHGKJWUWDPX-HNNXBMFYSA-N 0 3 357.414 1.914 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1Cc1ccccc1 ZINC000137464604 173371254 /nfs/dbraw/zinc/37/12/54/173371254.db2.gz PZEQARIGTZNRAJ-HOCLYGCPSA-N 0 3 370.409 1.536 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150806970 173382009 /nfs/dbraw/zinc/38/20/09/173382009.db2.gz MRJSMBTUFGMNDR-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000161590602 173745234 /nfs/dbraw/zinc/74/52/34/173745234.db2.gz QSZGLAZPFPVBPL-UHFFFAOYSA-N 0 3 360.414 1.541 20 5 FDBDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175424929 174005366 /nfs/dbraw/zinc/00/53/66/174005366.db2.gz HCLHJSJSGFHOAS-LZDXOUMISA-N 0 3 366.443 1.583 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177060613 174104120 /nfs/dbraw/zinc/10/41/20/174104120.db2.gz PCXQQFIMKOLRAK-DGCLKSJQSA-N 0 3 370.413 1.839 20 5 FDBDHN COc1ccc(OCCN2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000178481462 174190955 /nfs/dbraw/zinc/19/09/55/174190955.db2.gz CQSJYBGQEHMLFO-HNNXBMFYSA-N 0 3 365.430 1.636 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000180772365 258374902 /nfs/dbraw/zinc/37/49/02/258374902.db2.gz XPWMUISTBAKBHE-UHFFFAOYSA-N 0 3 362.430 1.942 20 5 FDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H]1CCOC1 ZINC000178776740 258335449 /nfs/dbraw/zinc/33/54/49/258335449.db2.gz KNMNPJUZTONFFZ-OAHLLOKOSA-N 0 3 362.430 1.212 20 5 FDBDHN CCN1CCN([C@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553279655 543602177 /nfs/dbraw/zinc/60/21/77/543602177.db2.gz BJMQCGIFZLYJEB-GFCCVEGCSA-N 0 3 360.418 1.682 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000554336286 543785981 /nfs/dbraw/zinc/78/59/81/543785981.db2.gz YUNCQNVQGLUDOB-TZMCWYRMSA-N 0 3 360.414 1.078 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C ZINC000554336775 543786868 /nfs/dbraw/zinc/78/68/68/543786868.db2.gz KHISKFJVPRHOBQ-DZGCQCFKSA-N 0 3 374.441 1.685 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000557457253 544294049 /nfs/dbraw/zinc/29/40/49/544294049.db2.gz NCASFIBPKCACEX-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301816448 259033839 /nfs/dbraw/zinc/03/38/39/259033839.db2.gz JIYQQMOSXQTFBZ-LBPRGKRZSA-N 0 3 353.810 1.562 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301839158 259034491 /nfs/dbraw/zinc/03/44/91/259034491.db2.gz ZLNAUGMUGHNSCQ-AWEZNQCLSA-N 0 3 354.357 1.792 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)nn21 ZINC000301924981 259036335 /nfs/dbraw/zinc/03/63/35/259036335.db2.gz GRCURFUQKZKDKV-HUUCEWRRSA-N 0 3 368.397 1.685 20 5 FDBDHN Cc1cc(NC[C@@](C)(O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302211208 259039940 /nfs/dbraw/zinc/03/99/40/259039940.db2.gz YPKCUYICDBNKHN-GOSISDBHSA-N 0 3 360.414 1.947 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332109499 259242569 /nfs/dbraw/zinc/24/25/69/259242569.db2.gz GSRRMVOKJMORNZ-OLZOCXBDSA-N 0 3 350.423 1.134 20 5 FDBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332515063 259272696 /nfs/dbraw/zinc/27/26/96/259272696.db2.gz WMXBOPPBSGTWSQ-OCCSQVGLSA-N 0 3 363.414 1.850 20 5 FDBDHN CC(C)(O)CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364250693 259732521 /nfs/dbraw/zinc/73/25/21/259732521.db2.gz APGQKDNDDFKQOA-MRXNPFEDSA-N 0 3 367.446 1.113 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367446470 260043131 /nfs/dbraw/zinc/04/31/31/260043131.db2.gz FFCNWKAUWOPNSO-KDOFPFPSSA-N 0 3 358.398 1.131 20 5 FDBDHN Cc1noc(C)c1CO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000368848468 260247757 /nfs/dbraw/zinc/24/77/57/260247757.db2.gz XEFLZJPWFSOPGH-LSDHHAIUSA-N 0 3 365.390 1.048 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000369145487 260301763 /nfs/dbraw/zinc/30/17/63/260301763.db2.gz WZGALTGAXLHTHS-UHFFFAOYSA-N 0 3 365.434 1.455 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000369145487 260301764 /nfs/dbraw/zinc/30/17/64/260301764.db2.gz WZGALTGAXLHTHS-UHFFFAOYSA-N 0 3 365.434 1.455 20 5 FDBDHN CCCN1CCN(C2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)CC1 ZINC000369154007 260303904 /nfs/dbraw/zinc/30/39/04/260303904.db2.gz FWFYYKSZGSEZDP-UHFFFAOYSA-N 0 3 350.467 1.633 20 5 FDBDHN O=C(CNC1(CO)Cc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369328995 260341996 /nfs/dbraw/zinc/34/19/96/260341996.db2.gz HKLNPHYWFAYMMJ-UHFFFAOYSA-N 0 3 367.405 1.603 20 5 FDBDHN O=C(CN1CCCN(C2CC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000369555105 260389776 /nfs/dbraw/zinc/38/97/76/260389776.db2.gz YJCCNHIVUBODGL-UHFFFAOYSA-N 0 3 362.386 1.432 20 5 FDBDHN CCN1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369583698 260394433 /nfs/dbraw/zinc/39/44/33/260394433.db2.gz JYHPAXZZFWAFOL-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000374002407 261064150 /nfs/dbraw/zinc/06/41/50/261064150.db2.gz ROACBCQYAKDXJH-UHFFFAOYSA-N 0 3 374.401 1.861 20 5 FDBDHN CC(C)c1nccn1C[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374144909 261084266 /nfs/dbraw/zinc/08/42/66/261084266.db2.gz OSNXCIPOBXJFGP-GDBMZVCRSA-N 0 3 362.434 1.637 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000374911899 261224356 /nfs/dbraw/zinc/22/43/56/261224356.db2.gz JYHRTETUHKFKIW-AWEZNQCLSA-N 0 3 371.434 1.475 20 5 FDBDHN COC(=O)c1cc(N2CCCN([C@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000375513993 261359482 /nfs/dbraw/zinc/35/94/82/261359482.db2.gz WWBHSCKRRLXKSH-CYBMUJFWSA-N 0 3 351.403 1.583 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375626940 261384370 /nfs/dbraw/zinc/38/43/70/261384370.db2.gz ZPVVTNIJWMZKPI-BBRMVZONSA-N 0 3 353.444 1.983 20 5 FDBDHN CN1CC[C@@H]2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408145151 262088343 /nfs/dbraw/zinc/08/83/43/262088343.db2.gz FZDNYYIUDIQYRO-KDOFPFPSSA-N 0 3 374.441 1.598 20 5 FDBDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000029931565 519334376 /nfs/dbraw/zinc/33/43/76/519334376.db2.gz UQJHHHSKIHUAML-QGZVFWFLSA-N 0 3 373.409 1.826 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000069502454 521895771 /nfs/dbraw/zinc/89/57/71/521895771.db2.gz UXHLGHUIOLAUOA-MRXNPFEDSA-N 0 3 360.414 1.777 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc21 ZINC000058737380 522292790 /nfs/dbraw/zinc/29/27/90/522292790.db2.gz QNAQWJGISHOOBU-UHFFFAOYSA-N 0 3 360.326 1.910 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000048188369 522688109 /nfs/dbraw/zinc/68/81/09/522688109.db2.gz HPTRKLYEUWUTIX-UHFFFAOYSA-N 0 3 371.397 1.842 20 5 FDBDHN CN(C)Cc1ccccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049253641 522827612 /nfs/dbraw/zinc/82/76/12/522827612.db2.gz DDVMDAOINQQXHA-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067270086 523372401 /nfs/dbraw/zinc/37/24/01/523372401.db2.gz KZVAPINWAAPRHJ-ZDUSSCGKSA-N 0 3 360.418 1.882 20 5 FDBDHN CN1CCC(O)(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080881839 523910809 /nfs/dbraw/zinc/91/08/09/523910809.db2.gz IZOXBULAMNOTFI-UHFFFAOYSA-N 0 3 350.419 1.360 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC000083026368 524232019 /nfs/dbraw/zinc/23/20/19/524232019.db2.gz XXNCHTRBMFKBAE-VXGBXAGGSA-N 0 3 368.409 1.935 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000083026657 524232823 /nfs/dbraw/zinc/23/28/23/524232823.db2.gz UOXYFCPMKXMTMU-ZIAGYGMSSA-N 0 3 367.450 1.495 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121375852 524237361 /nfs/dbraw/zinc/23/73/61/524237361.db2.gz FQQOWDNNFUDJAS-CQSZACIVSA-N 0 3 373.475 1.847 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000121380910 524240943 /nfs/dbraw/zinc/24/09/43/524240943.db2.gz ICSJAJSZNDDSAX-CQSZACIVSA-N 0 3 360.414 1.751 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000139974492 524301043 /nfs/dbraw/zinc/30/10/43/524301043.db2.gz YTFDWKORIDDMHW-LBPRGKRZSA-N 0 3 364.431 1.276 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000173022392 524303977 /nfs/dbraw/zinc/30/39/77/524303977.db2.gz DZRSYFXNCMQLNP-GFCCVEGCSA-N 0 3 353.444 1.920 20 5 FDBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157666250 524315984 /nfs/dbraw/zinc/31/59/84/524315984.db2.gz OQGPAHJAPHOMBN-SMDDNHRTSA-N 0 3 350.423 1.763 20 5 FDBDHN CN1CC[C@@H](Cn2nnnc2Sc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121779691 524361040 /nfs/dbraw/zinc/36/10/40/524361040.db2.gz OSSGOEPLXORISQ-MRVPVSSYSA-N 0 3 356.358 1.962 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173531047 524409772 /nfs/dbraw/zinc/40/97/72/524409772.db2.gz RYDCNVKZWAHIPY-UHFFFAOYSA-N 0 3 362.430 1.150 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000090539921 524600731 /nfs/dbraw/zinc/60/07/31/524600731.db2.gz YJMFHKAJYRXPTL-QAPCUYQASA-N 0 3 359.430 1.670 20 5 FDBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151630891 524635127 /nfs/dbraw/zinc/63/51/27/524635127.db2.gz RYGAZKOYHQWNOZ-LBPRGKRZSA-N 0 3 357.407 1.840 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159626340 524711456 /nfs/dbraw/zinc/71/14/56/524711456.db2.gz TWFJGEAERGDEDL-UHFFFAOYSA-N 0 3 353.329 1.800 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000123688595 524808516 /nfs/dbraw/zinc/80/85/16/524808516.db2.gz CYNJLZCGNNPQCT-STQMWFEESA-N 0 3 350.419 1.917 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000152777791 525003890 /nfs/dbraw/zinc/00/38/90/525003890.db2.gz WMFRCLVMXZRYFS-CQSZACIVSA-N 0 3 364.377 1.113 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152790963 525008152 /nfs/dbraw/zinc/00/81/52/525008152.db2.gz RXOOHAAPQQBEDN-MRXNPFEDSA-N 0 3 364.427 1.761 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000153038577 525089986 /nfs/dbraw/zinc/08/99/86/525089986.db2.gz VUUKCRVNJITHSF-KRWDZBQOSA-N 0 3 350.419 1.237 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000161675642 525149470 /nfs/dbraw/zinc/14/94/70/525149470.db2.gz YTZGRBXSXNPZGH-AWEZNQCLSA-N 0 3 371.459 1.274 20 5 FDBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000161735519 525160431 /nfs/dbraw/zinc/16/04/31/525160431.db2.gz NYRDSDSHZREOHA-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000161735519 525160438 /nfs/dbraw/zinc/16/04/38/525160438.db2.gz NYRDSDSHZREOHA-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153873648 525351529 /nfs/dbraw/zinc/35/15/29/525351529.db2.gz PJIDJBVRMLASAH-UHFFFAOYSA-N 0 3 352.410 1.372 20 5 FDBDHN CN1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117745511 525386308 /nfs/dbraw/zinc/38/63/08/525386308.db2.gz MDIXDQMBFBTSCW-UHFFFAOYSA-N 0 3 354.838 1.544 20 5 FDBDHN C[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000163490197 525416027 /nfs/dbraw/zinc/41/60/27/525416027.db2.gz VNXUJTRYSRPQNX-QGZVFWFLSA-N 0 3 358.402 1.357 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104532191 525418022 /nfs/dbraw/zinc/41/80/22/525418022.db2.gz QCBPAJALGLYMED-CQSZACIVSA-N 0 3 350.419 1.576 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000178656805 525460627 /nfs/dbraw/zinc/46/06/27/525460627.db2.gz XQVZNYMERPNUNV-MRXNPFEDSA-N 0 3 353.444 1.985 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130278268 525738043 /nfs/dbraw/zinc/73/80/43/525738043.db2.gz JOZWYEVCIPWQKE-UHFFFAOYSA-N 0 3 361.446 1.570 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000106963297 525834852 /nfs/dbraw/zinc/83/48/52/525834852.db2.gz DHGVNRHSYOBCBM-ZDUSSCGKSA-N 0 3 360.414 1.975 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000132279850 525954317 /nfs/dbraw/zinc/95/43/17/525954317.db2.gz JZXKIBGAGTWPLR-CQSZACIVSA-N 0 3 373.413 1.621 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182029337 526026951 /nfs/dbraw/zinc/02/69/51/526026951.db2.gz ANLHDLFONZTCHA-IIDMSEBBSA-N 0 3 350.415 1.962 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120370616 526041092 /nfs/dbraw/zinc/04/10/92/526041092.db2.gz YHENIJBEEKOZEX-HOCLYGCPSA-N 0 3 366.805 1.959 20 5 FDBDHN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000120607948 526126866 /nfs/dbraw/zinc/12/68/66/526126866.db2.gz QMCDMGGDZFDFQP-HNNXBMFYSA-N 0 3 363.462 1.320 20 5 FDBDHN C[C@H](C(=O)NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182735342 535854607 /nfs/dbraw/zinc/85/46/07/535854607.db2.gz BACCDXIDSVQXNQ-LBPRGKRZSA-N 0 3 353.394 1.800 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183742096 536040221 /nfs/dbraw/zinc/04/02/21/536040221.db2.gz QQVWTCLGFQVXEG-AWEZNQCLSA-N 0 3 361.851 1.769 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000183881232 536061357 /nfs/dbraw/zinc/06/13/57/536061357.db2.gz ACBWRBKBWXIPLO-TZMCWYRMSA-N 0 3 360.414 1.374 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000184029128 536083177 /nfs/dbraw/zinc/08/31/77/536083177.db2.gz UCCJBCZEBUUJSI-NVXWUHKLSA-N 0 3 374.441 1.576 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000184063200 536087391 /nfs/dbraw/zinc/08/73/91/536087391.db2.gz VHWVPRFRBZZYNC-NSHDSACASA-N 0 3 353.398 1.072 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000184400764 536146310 /nfs/dbraw/zinc/14/63/10/536146310.db2.gz NCCWTOZXCLZTEC-GFCCVEGCSA-N 0 3 365.390 1.259 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000184566013 536165354 /nfs/dbraw/zinc/16/53/54/536165354.db2.gz RHBWNOMGGPCDIQ-AWEZNQCLSA-N 0 3 355.398 1.966 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)CC1 ZINC000185280987 536204309 /nfs/dbraw/zinc/20/43/09/536204309.db2.gz UTOGVPQVNJJPTQ-AWEZNQCLSA-N 0 3 366.487 1.781 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185599842 536213290 /nfs/dbraw/zinc/21/32/90/536213290.db2.gz AUTPYAUZEQSSPA-GJZGRUSLSA-N 0 3 363.462 1.981 20 5 FDBDHN CCOc1ccc(NC(=O)CN(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000186780579 536244060 /nfs/dbraw/zinc/24/40/60/536244060.db2.gz PJBQXGAUMKHUKN-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000187757637 536273913 /nfs/dbraw/zinc/27/39/13/536273913.db2.gz UPFXJUKCCVXMAJ-SFHVURJKSA-N 0 3 357.414 1.962 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246303841 536922207 /nfs/dbraw/zinc/92/22/07/536922207.db2.gz DHBJNHXJYQXTDD-KBPBESRZSA-N 0 3 368.459 1.090 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246303841 536922212 /nfs/dbraw/zinc/92/22/12/536922212.db2.gz DHBJNHXJYQXTDD-KBPBESRZSA-N 0 3 368.459 1.090 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188678526 536925568 /nfs/dbraw/zinc/92/55/68/536925568.db2.gz GLCPSMSHTPWUIP-GFCCVEGCSA-N 0 3 368.393 1.633 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188715722 536933656 /nfs/dbraw/zinc/93/36/56/536933656.db2.gz WRSBQYYOVXKNQO-NSHDSACASA-N 0 3 353.423 1.188 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188715722 536933661 /nfs/dbraw/zinc/93/36/61/536933661.db2.gz WRSBQYYOVXKNQO-NSHDSACASA-N 0 3 353.423 1.188 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000189126504 537001811 /nfs/dbraw/zinc/00/18/11/537001811.db2.gz BTDSELYLQDYRIJ-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000246991893 537064959 /nfs/dbraw/zinc/06/49/59/537064959.db2.gz KFIGWRGEAAIKSC-RTBURBONSA-N 0 3 374.441 1.876 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263768525 537094088 /nfs/dbraw/zinc/09/40/88/537094088.db2.gz VLUHUXQLYXCXRC-INIZCTEOSA-N 0 3 362.430 1.196 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000247501891 537126964 /nfs/dbraw/zinc/12/69/64/537126964.db2.gz VABDKMSWLVBUTM-GXTWGEPZSA-N 0 3 358.402 1.588 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000247517375 537128421 /nfs/dbraw/zinc/12/84/21/537128421.db2.gz NSAIZUSVSGVGFX-JSGCOSHPSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1cc(CCNC(=O)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000193917147 537256967 /nfs/dbraw/zinc/25/69/67/537256967.db2.gz ZJYSUPUFAMCSIP-UHFFFAOYSA-N 0 3 351.403 1.613 20 5 FDBDHN C[C@H]1CN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278402736 537316198 /nfs/dbraw/zinc/31/61/98/537316198.db2.gz OWWPIESZRWADKB-ZDUSSCGKSA-N 0 3 364.402 1.150 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272946907 537364842 /nfs/dbraw/zinc/36/48/42/537364842.db2.gz PUVGGHLXXWUZOV-CYBMUJFWSA-N 0 3 364.402 1.533 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285968426 537389352 /nfs/dbraw/zinc/38/93/52/537389352.db2.gz NJWUSHILXFKCGB-AWEZNQCLSA-N 0 3 358.402 1.840 20 5 FDBDHN COCCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000291444882 537592334 /nfs/dbraw/zinc/59/23/34/537592334.db2.gz NIJRQIJZZLCBDV-UHFFFAOYSA-N 0 3 365.430 1.933 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[NH2+]C1CC1 ZINC000236626166 537592819 /nfs/dbraw/zinc/59/28/19/537592819.db2.gz KIPZTSKUGLIEKB-UHFFFAOYSA-N 0 3 364.221 1.388 20 5 FDBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CN1 ZINC000371313417 537814428 /nfs/dbraw/zinc/81/44/28/537814428.db2.gz LHGJHHBZWWJQMG-LRDDRELGSA-N 0 3 361.398 1.952 20 5 FDBDHN CN(C)C(=O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414495478 537824349 /nfs/dbraw/zinc/82/43/49/537824349.db2.gz HFPZOHLNIWUTIY-AWEZNQCLSA-N 0 3 357.414 1.905 20 5 FDBDHN CN1CCC[C@@H](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000416559952 537883960 /nfs/dbraw/zinc/88/39/60/537883960.db2.gz RHYWJIMCNBJRET-HNNXBMFYSA-N 0 3 355.460 1.789 20 5 FDBDHN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411995668 537931155 /nfs/dbraw/zinc/93/11/55/537931155.db2.gz QFMFGNLBVPYQIC-RWSFTLGLSA-N 0 3 371.821 1.952 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419157879 537963766 /nfs/dbraw/zinc/96/37/66/537963766.db2.gz WXHGIWRDGSKVMQ-GVXVVHGQSA-N 0 3 364.402 1.001 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000377563798 537978213 /nfs/dbraw/zinc/97/82/13/537978213.db2.gz GVJUNIXROJVEBV-GJZGRUSLSA-N 0 3 359.386 1.142 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439201795 538160938 /nfs/dbraw/zinc/16/09/38/538160938.db2.gz SPVXTIDSPCHPBF-UHFFFAOYSA-N 0 3 350.375 1.096 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CCN1 ZINC000450888862 538165462 /nfs/dbraw/zinc/16/54/62/538165462.db2.gz ASZQWIRJCPOYNJ-AWEZNQCLSA-N 0 3 369.425 1.934 20 5 FDBDHN NC[C@H](NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000419972450 538170713 /nfs/dbraw/zinc/17/07/13/538170713.db2.gz YRZZCVFNRKRJMY-KRWDZBQOSA-N 0 3 374.441 1.503 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420379753 538283024 /nfs/dbraw/zinc/28/30/24/538283024.db2.gz NKIKZKIKUMPMBJ-LRDDRELGSA-N 0 3 373.417 1.309 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000446230252 538286495 /nfs/dbraw/zinc/28/64/95/538286495.db2.gz YQEDAJLYWNZFEN-UHFFFAOYSA-N 0 3 364.446 1.023 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433915516 538288730 /nfs/dbraw/zinc/28/87/30/538288730.db2.gz QLNYCRYNJJGPDQ-LBPRGKRZSA-N 0 3 353.423 1.264 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000420427815 538292802 /nfs/dbraw/zinc/29/28/02/538292802.db2.gz KSNDGPMBYXCLOI-UHFFFAOYSA-N 0 3 361.423 1.860 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000452120685 538363902 /nfs/dbraw/zinc/36/39/02/538363902.db2.gz RTTODKGOJCCCHW-GFCCVEGCSA-N 0 3 364.402 1.677 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CCN(C)C)cc1SC ZINC000429885312 538370757 /nfs/dbraw/zinc/37/07/57/538370757.db2.gz CYLPKQSZAMDRMW-MRXNPFEDSA-N 0 3 371.459 1.758 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461456690 538517483 /nfs/dbraw/zinc/51/74/83/538517483.db2.gz NTNDCLVENKRPDE-GJZGRUSLSA-N 0 3 355.398 1.912 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000457919369 538528634 /nfs/dbraw/zinc/52/86/34/538528634.db2.gz IGWBIWICPZMZMW-AWEZNQCLSA-N 0 3 366.418 1.249 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000461896246 538572316 /nfs/dbraw/zinc/57/23/16/538572316.db2.gz UIZKBZDEZSSDCT-UONOGXRCSA-N 0 3 353.444 1.878 20 5 FDBDHN COCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000560556078 545542961 /nfs/dbraw/zinc/54/29/61/545542961.db2.gz CYARTTAIQDYTAW-UHFFFAOYSA-N 0 3 368.386 1.432 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472629689 538677625 /nfs/dbraw/zinc/67/76/25/538677625.db2.gz VQFBXVZEENDUDD-YGRLFVJLSA-N 0 3 352.366 1.517 20 5 FDBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CCN(C)CC1 ZINC000464732784 538702659 /nfs/dbraw/zinc/70/26/59/538702659.db2.gz ZAFPYBIZDDEXQA-UHFFFAOYSA-N 0 3 350.419 1.871 20 5 FDBDHN CN(C)[C@@]1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCSC1 ZINC000479490271 538809974 /nfs/dbraw/zinc/80/99/74/538809974.db2.gz MKIRQXQSQNXEPX-CYBMUJFWSA-N 0 3 360.461 1.091 20 5 FDBDHN CCOC[C@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000474705036 538846087 /nfs/dbraw/zinc/84/60/87/538846087.db2.gz BTZOMTNNYXEIKW-KGLIPLIRSA-N 0 3 371.459 1.668 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561419867 545841130 /nfs/dbraw/zinc/84/11/30/545841130.db2.gz TUJSMIMERXWYIM-NEPJUHHUSA-N 0 3 354.432 1.305 20 5 FDBDHN CN(C)S(=O)(=O)N1CCC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000561757940 545944902 /nfs/dbraw/zinc/94/49/02/545944902.db2.gz RWMFMGWYFHANMS-GTBONMDNSA-N 0 3 368.459 1.468 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000561792609 545954001 /nfs/dbraw/zinc/95/40/01/545954001.db2.gz GZBGJKAMKZMTLC-JYJNAYRXSA-N 0 3 360.414 1.430 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000563856616 546710850 /nfs/dbraw/zinc/71/08/50/546710850.db2.gz WGDRHJKRINVVCI-DZGCQCFKSA-N 0 3 350.350 1.795 20 5 FDBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000565593948 547409518 /nfs/dbraw/zinc/40/95/18/547409518.db2.gz NDUUDMRGAQXPTJ-MRXNPFEDSA-N 0 3 359.382 1.354 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000565764124 547470624 /nfs/dbraw/zinc/47/06/24/547470624.db2.gz QMIQLJAMZGTPFR-OAHLLOKOSA-N 0 3 360.414 1.113 20 5 FDBDHN NC[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 ZINC000566206520 547658968 /nfs/dbraw/zinc/65/89/68/547658968.db2.gz FRRGSFHYENZVNM-LBPRGKRZSA-N 0 3 373.359 1.759 20 5 FDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566215073 547663887 /nfs/dbraw/zinc/66/38/87/547663887.db2.gz ZURHQCQBTJRBOB-UHFFFAOYSA-N 0 3 355.338 1.892 20 5 FDBDHN CSc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000567383456 548100193 /nfs/dbraw/zinc/10/01/93/548100193.db2.gz AKNWUZVXAOIYII-UHFFFAOYSA-N 0 3 363.403 1.097 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000567710729 548223545 /nfs/dbraw/zinc/22/35/45/548223545.db2.gz QQGXBSLCQLRLGD-CZUORRHYSA-N 0 3 354.428 1.916 20 5 FDBDHN CC(C)(C(=O)Nc1nc(N2CCNCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000567830668 548278885 /nfs/dbraw/zinc/27/88/85/548278885.db2.gz OPMISHPLFVFIJS-UHFFFAOYSA-N 0 3 359.390 1.039 20 5 FDBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)c1ccccc1 ZINC000567860954 548294675 /nfs/dbraw/zinc/29/46/75/548294675.db2.gz CXKKTWVSQLUQKI-HNNXBMFYSA-N 0 3 362.361 1.315 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CCNC2 ZINC000569452787 548922630 /nfs/dbraw/zinc/92/26/30/548922630.db2.gz MSTCTGCRYYCBSC-UHFFFAOYSA-N 0 3 368.393 1.538 20 5 FDBDHN CCOc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1OC ZINC000572114454 549845066 /nfs/dbraw/zinc/84/50/66/549845066.db2.gz VBOYDGZKIVIZKK-CQSZACIVSA-N 0 3 350.375 1.349 20 5 FDBDHN COC(=O)COc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000572526776 549935482 /nfs/dbraw/zinc/93/54/82/549935482.db2.gz MAGUBQSYZKYYRJ-AWEZNQCLSA-N 0 3 374.397 1.870 20 5 FDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000576762589 550583231 /nfs/dbraw/zinc/58/32/31/550583231.db2.gz JBZVEQWWGFJMDQ-HNNXBMFYSA-N 0 3 359.386 1.613 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000576774346 550584994 /nfs/dbraw/zinc/58/49/94/550584994.db2.gz JSBJFBMTOHYOQJ-SUNKGSAMSA-N 0 3 355.416 1.477 20 5 FDBDHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000576806499 550587703 /nfs/dbraw/zinc/58/77/03/550587703.db2.gz OSYUHGWKOPCBPB-UHFFFAOYSA-N 0 3 372.385 1.396 20 5 FDBDHN O=C(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000576816059 550588806 /nfs/dbraw/zinc/58/88/06/550588806.db2.gz JOTFBADPKZEJGZ-OAHLLOKOSA-N 0 3 365.430 1.717 20 5 FDBDHN Cc1sc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000576988176 550607986 /nfs/dbraw/zinc/60/79/86/550607986.db2.gz JJZFWQDZDYWJTA-LLVKDONJSA-N 0 3 350.404 1.492 20 5 FDBDHN O=C(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000579996765 550932336 /nfs/dbraw/zinc/93/23/36/550932336.db2.gz LZASCVTWSGHMET-AWEZNQCLSA-N 0 3 351.403 1.327 20 5 FDBDHN COc1ccc(CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000580563346 550995473 /nfs/dbraw/zinc/99/54/73/550995473.db2.gz OMTJZICYRGPUJI-CQSZACIVSA-N 0 3 374.401 1.060 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000580615229 551000701 /nfs/dbraw/zinc/00/07/01/551000701.db2.gz IKMYQKNSDSBFNS-CYBMUJFWSA-N 0 3 374.319 1.883 20 5 FDBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)OC(C)(C)C ZINC000581486540 551094495 /nfs/dbraw/zinc/09/44/95/551094495.db2.gz RAOCXTGLKBTIBJ-SNPRPXQTSA-N 0 3 368.434 1.452 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000585757234 551594064 /nfs/dbraw/zinc/59/40/64/551594064.db2.gz DBDAILSHBMGUIH-MRVPVSSYSA-N 0 3 373.207 1.362 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000586757236 551615213 /nfs/dbraw/zinc/61/52/13/551615213.db2.gz ABRJSSDOIATIHT-UHFFFAOYSA-N 0 3 355.398 1.981 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000588778017 551686522 /nfs/dbraw/zinc/68/65/22/551686522.db2.gz JDFQPBAABWNYFB-CVEARBPZSA-N 0 3 374.441 1.605 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 ZINC000590442862 551784850 /nfs/dbraw/zinc/78/48/50/551784850.db2.gz HOBAHEWYJHVXMQ-GWCFXTLKSA-N 0 3 374.426 1.640 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)[C@@H]2C1 ZINC000590445115 551785218 /nfs/dbraw/zinc/78/52/18/551785218.db2.gz NOGRPZBVJJHTQG-SMDDNHRTSA-N 0 3 351.428 1.455 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000590538745 551789882 /nfs/dbraw/zinc/78/98/82/551789882.db2.gz RNJWQYKFHJZNNP-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000590565878 551792949 /nfs/dbraw/zinc/79/29/49/551792949.db2.gz RZHBFPIYOMDUEG-STQMWFEESA-N 0 3 366.418 1.495 20 5 FDBDHN CN(C)C1(CN(C)C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000590987148 551832911 /nfs/dbraw/zinc/83/29/11/551832911.db2.gz VPTBLRRNNIDLIF-UHFFFAOYSA-N 0 3 374.441 1.422 20 5 FDBDHN CN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000591088316 551842929 /nfs/dbraw/zinc/84/29/29/551842929.db2.gz NSZWKZQWAMKMOC-UHFFFAOYSA-N 0 3 362.430 1.121 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Cn3cccn3)c2)c1 ZINC000591727925 551903991 /nfs/dbraw/zinc/90/39/91/551903991.db2.gz LHODDFMQRSXOHJ-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCN(c2ccccn2)C1 ZINC000591757087 551906474 /nfs/dbraw/zinc/90/64/74/551906474.db2.gz YCTYFWSCHHOXSS-HUUCEWRRSA-N 0 3 358.398 1.598 20 5 FDBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(N2CCCC2)n1 ZINC000591759824 551906678 /nfs/dbraw/zinc/90/66/78/551906678.db2.gz YKIOMVKZORQJCR-MRXNPFEDSA-N 0 3 360.418 1.246 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592211772 551961221 /nfs/dbraw/zinc/96/12/21/551961221.db2.gz HCBRSQJSNKQBLR-LLVKDONJSA-N 0 3 365.390 1.187 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592235667 551964698 /nfs/dbraw/zinc/96/46/98/551964698.db2.gz RAXVHKOGWVPOIU-CYBMUJFWSA-N 0 3 363.418 1.795 20 5 FDBDHN CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](CN)C1 ZINC000592309866 551977684 /nfs/dbraw/zinc/97/76/84/551977684.db2.gz XBEYATICUDRSCO-CYBMUJFWSA-N 0 3 361.427 1.433 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000592879480 552038252 /nfs/dbraw/zinc/03/82/52/552038252.db2.gz LZDKBFPUPOLPNX-LLVKDONJSA-N 0 3 359.386 1.268 20 5 FDBDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593530461 552124564 /nfs/dbraw/zinc/12/45/64/552124564.db2.gz XCTLJPLEDHOJQS-UHFFFAOYSA-N 0 3 356.448 1.923 20 5 FDBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593530461 552124565 /nfs/dbraw/zinc/12/45/65/552124565.db2.gz XCTLJPLEDHOJQS-UHFFFAOYSA-N 0 3 356.448 1.923 20 5 FDBDHN COC[C@H](CC(C)(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593590936 552145658 /nfs/dbraw/zinc/14/56/58/552145658.db2.gz AWPIVZSQWFSWQH-ZDUSSCGKSA-N 0 3 373.475 1.914 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000593905374 552222489 /nfs/dbraw/zinc/22/24/89/552222489.db2.gz QRULNCPHVARIHG-ZIAGYGMSSA-N 0 3 357.414 1.970 20 5 FDBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594065367 552245248 /nfs/dbraw/zinc/24/52/48/552245248.db2.gz YBXWXIGRZTZWMQ-WDEREUQCSA-N 0 3 372.328 1.479 20 5 FDBDHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000594365758 552296458 /nfs/dbraw/zinc/29/64/58/552296458.db2.gz XSLSRAHUKBIMOG-CQSZACIVSA-N 0 3 360.414 1.221 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)cc1SC ZINC000594450744 552313341 /nfs/dbraw/zinc/31/33/41/552313341.db2.gz YFAZGOHCORFPMD-SNVBAGLBSA-N 0 3 353.322 1.945 20 5 FDBDHN C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594514293 552327103 /nfs/dbraw/zinc/32/71/03/552327103.db2.gz NOTOKDZAHTVYIN-MELADBBJSA-N 0 3 365.430 1.953 20 5 FDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594711206 552361209 /nfs/dbraw/zinc/36/12/09/552361209.db2.gz OIPMHVXIAWIXIU-DOMZBBRYSA-N 0 3 351.403 1.953 20 5 FDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)cc1 ZINC000594990111 552433159 /nfs/dbraw/zinc/43/31/59/552433159.db2.gz NCNQPZFUMNWUSN-FQEVSTJZSA-N 0 3 371.437 1.948 20 5 FDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)cc1 ZINC000594990112 552433214 /nfs/dbraw/zinc/43/32/14/552433214.db2.gz NCNQPZFUMNWUSN-HXUWFJFHSA-N 0 3 371.437 1.948 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000595260549 552506785 /nfs/dbraw/zinc/50/67/85/552506785.db2.gz CJCTUBDSSHDHLG-HUUCEWRRSA-N 0 3 361.377 1.659 20 5 FDBDHN O=C(CNC1(CCO)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595507900 552575620 /nfs/dbraw/zinc/57/56/20/552575620.db2.gz CYCNYJRRCBCETM-UHFFFAOYSA-N 0 3 351.359 1.547 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595729930 552607848 /nfs/dbraw/zinc/60/78/48/552607848.db2.gz WZZIXHOFYKHURJ-OCCSQVGLSA-N 0 3 374.397 1.493 20 5 FDBDHN CCOC(=O)c1cc(NCCN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000596074305 552652789 /nfs/dbraw/zinc/65/27/89/552652789.db2.gz SUUGOPGJTBVTQL-UHFFFAOYSA-N 0 3 350.419 1.821 20 5 FDBDHN COC(=O)c1cnc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596268300 552669860 /nfs/dbraw/zinc/66/98/60/552669860.db2.gz JLEVBQGYLXJHFL-UHFFFAOYSA-N 0 3 364.402 1.468 20 5 FDBDHN NC(=O)c1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596424578 552677958 /nfs/dbraw/zinc/67/79/58/552677958.db2.gz SJXROLCTPWRVNM-MRXNPFEDSA-N 0 3 370.409 1.872 20 5 FDBDHN CC(C)Oc1nc(N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596463806 552681679 /nfs/dbraw/zinc/68/16/79/552681679.db2.gz SJBFWZZCSPZPGI-UHFFFAOYSA-N 0 3 353.423 1.233 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596842452 552717024 /nfs/dbraw/zinc/71/70/24/552717024.db2.gz MIERULLRHJTYMW-UHFFFAOYSA-N 0 3 351.407 1.387 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000597603536 552810959 /nfs/dbraw/zinc/81/09/59/552810959.db2.gz DIRNVOSFTOEHRB-ZDUSSCGKSA-N 0 3 351.403 1.925 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000597859044 552841647 /nfs/dbraw/zinc/84/16/47/552841647.db2.gz QPBHUYBRZKNYHR-GFCCVEGCSA-N 0 3 374.397 1.180 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859634 552841712 /nfs/dbraw/zinc/84/17/12/552841712.db2.gz WQDOVPHOROBNPO-DOMZBBRYSA-N 0 3 362.430 1.702 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597858776 552841733 /nfs/dbraw/zinc/84/17/33/552841733.db2.gz OYVIDTGSTARJMZ-OLZOCXBDSA-N 0 3 366.466 1.816 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000598193495 552874817 /nfs/dbraw/zinc/87/48/17/552874817.db2.gz APFVAQLXLHSYEG-OAHLLOKOSA-N 0 3 357.414 1.717 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536802 552906977 /nfs/dbraw/zinc/90/69/77/552906977.db2.gz XLPAVKKVUXXEAS-LBPRGKRZSA-N 0 3 351.407 1.342 20 5 FDBDHN Cc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536802 552906979 /nfs/dbraw/zinc/90/69/79/552906979.db2.gz XLPAVKKVUXXEAS-LBPRGKRZSA-N 0 3 351.407 1.342 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000598569859 552910478 /nfs/dbraw/zinc/91/04/78/552910478.db2.gz FNBBPYCFFQMVGL-CQSZACIVSA-N 0 3 358.398 1.978 20 5 FDBDHN C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000598591134 552912564 /nfs/dbraw/zinc/91/25/64/552912564.db2.gz UFSSLYUNCVVZGQ-KBPBESRZSA-N 0 3 364.450 1.754 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000598610541 552915483 /nfs/dbraw/zinc/91/54/83/552915483.db2.gz HIYVJFRRWMZMJB-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905039 552942809 /nfs/dbraw/zinc/94/28/09/552942809.db2.gz HJUDAOHGOZAJLH-AWEZNQCLSA-N 0 3 363.418 1.659 20 5 FDBDHN CN1C2(CCC2)COC[C@]1(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599063208 552963965 /nfs/dbraw/zinc/96/39/65/552963965.db2.gz ZEYRJLJOPRGUHH-VQIMIIECSA-N 0 3 361.442 1.788 20 5 FDBDHN CN(C)[C@@H]1[C@H]2CN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084839 552965623 /nfs/dbraw/zinc/96/56/23/552965623.db2.gz ZEPXGIKTLBZXOB-VIKVFOODSA-N 0 3 355.398 1.556 20 5 FDBDHN CCC1(N2CCOCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599186702 552980262 /nfs/dbraw/zinc/98/02/62/552980262.db2.gz KBHNVCSAHJCUKF-UHFFFAOYSA-N 0 3 362.430 1.775 20 5 FDBDHN CCc1cc(NCCN2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599198950 552983095 /nfs/dbraw/zinc/98/30/95/552983095.db2.gz CCHJBTWRMKNIOH-INIZCTEOSA-N 0 3 357.414 1.515 20 5 FDBDHN Cc1noc([C@@H]2OCC[C@@H]2NC[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000599683910 553121080 /nfs/dbraw/zinc/12/10/80/553121080.db2.gz XRKKZIFSKDFOAY-TYNCELHUSA-N 0 3 364.358 1.146 20 5 FDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](O)CN1CCCCC1 ZINC000601104956 553347862 /nfs/dbraw/zinc/34/78/62/553347862.db2.gz OBILFCNCBFINDS-VIFPVBQESA-N 0 3 351.329 1.606 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131505 553350827 /nfs/dbraw/zinc/35/08/27/553350827.db2.gz ZLYORSCOTRWNDD-GOSISDBHSA-N 0 3 369.425 1.886 20 5 FDBDHN O=[N+]([O-])c1sc(CNCCC2CS(=O)(=O)C2)cc1Br ZINC000602631376 553615173 /nfs/dbraw/zinc/61/51/73/553615173.db2.gz TWOJACONAYAAIR-UHFFFAOYSA-N 0 3 369.262 1.943 20 5 FDBDHN Cn1cc(C(=O)NC[C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602942210 553675772 /nfs/dbraw/zinc/67/57/72/553675772.db2.gz LPCKHXCRTQNJFO-QGZVFWFLSA-N 0 3 357.414 1.765 20 5 FDBDHN COC[C@@]1(C(=O)OC(C)(C)C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602962420 553681997 /nfs/dbraw/zinc/68/19/97/553681997.db2.gz SRUGRWWPMRDILA-MRXNPFEDSA-N 0 3 354.407 1.472 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000603052205 553701688 /nfs/dbraw/zinc/70/16/88/553701688.db2.gz IXDVDEXGLUAEHM-JTQLQIEISA-N 0 3 372.219 1.544 20 5 FDBDHN CN1CCC2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000603383283 553776321 /nfs/dbraw/zinc/77/63/21/553776321.db2.gz MPVWKXODCPRHMT-UHFFFAOYSA-N 0 3 353.444 1.842 20 5 FDBDHN C[C@H](NC1CCN(C(=O)C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603446021 553789905 /nfs/dbraw/zinc/78/99/05/553789905.db2.gz TWCFITDQDCGZOW-LBPRGKRZSA-N 0 3 360.414 1.912 20 5 FDBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2ccncc2)CC1 ZINC000604514694 553883263 /nfs/dbraw/zinc/88/32/63/553883263.db2.gz OUVYQPRJYXGAAM-UHFFFAOYSA-N 0 3 356.338 1.681 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609199462 554348859 /nfs/dbraw/zinc/34/88/59/554348859.db2.gz ZPDXDTDWPHTSEH-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN COCCN1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609269200 554353948 /nfs/dbraw/zinc/35/39/48/554353948.db2.gz NAFXSEHWFJTUSC-CQSZACIVSA-N 0 3 351.403 1.591 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000609383298 554373440 /nfs/dbraw/zinc/37/34/40/554373440.db2.gz LGBPNJXWZVMKPN-OAHLLOKOSA-N 0 3 361.398 1.986 20 5 FDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642713 554407164 /nfs/dbraw/zinc/40/71/64/554407164.db2.gz UNLMEMKDVKSAFX-AWEZNQCLSA-N 0 3 359.430 1.663 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609639565 554407208 /nfs/dbraw/zinc/40/72/08/554407208.db2.gz JENDTNDRUHWNOY-UHFFFAOYSA-N 0 3 364.446 1.890 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCC[C@@H]1C ZINC000609841300 554427837 /nfs/dbraw/zinc/42/78/37/554427837.db2.gz MWICYPCIOZEXCL-JSGCOSHPSA-N 0 3 366.466 1.818 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148808 554609783 /nfs/dbraw/zinc/60/97/83/554609783.db2.gz FMMBEWLLTIZYSA-AWEZNQCLSA-N 0 3 360.414 1.846 20 5 FDBDHN CN(C)C(=O)C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611384904 554630396 /nfs/dbraw/zinc/63/03/96/554630396.db2.gz XLARTJJDVZPPNM-INIZCTEOSA-N 0 3 358.398 1.566 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611710879 554670093 /nfs/dbraw/zinc/67/00/93/554670093.db2.gz FYYXAWPHQMXMQP-INIZCTEOSA-N 0 3 370.413 1.281 20 5 FDBDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000612118793 554736580 /nfs/dbraw/zinc/73/65/80/554736580.db2.gz PWIFBEJAJCXYQQ-PBHICJAKSA-N 0 3 365.430 1.571 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000615313261 555190207 /nfs/dbraw/zinc/19/02/07/555190207.db2.gz MXHSTSOSGHFRQQ-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN COc1cccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000618215253 555591585 /nfs/dbraw/zinc/59/15/85/555591585.db2.gz VGBFTGMXVFBWFF-AWEZNQCLSA-N 0 3 362.430 1.455 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000618923061 555696599 /nfs/dbraw/zinc/69/65/99/555696599.db2.gz CHZBIPPDAKOGGK-INIZCTEOSA-N 0 3 353.444 1.845 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619487961 555787078 /nfs/dbraw/zinc/78/70/78/555787078.db2.gz IACUOIHXDNIXEO-GFCCVEGCSA-N 0 3 357.432 1.708 20 5 FDBDHN CCCN(CC)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000291435088 568160417 /nfs/dbraw/zinc/16/04/17/568160417.db2.gz BKCWSIOULSMMQJ-GFCCVEGCSA-N 0 3 371.459 1.849 20 5 FDBDHN C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000272892445 674485673 /nfs/dbraw/zinc/48/56/73/674485673.db2.gz JYBFVFKTWNKRIM-VXGBXAGGSA-N 0 3 356.448 1.775 20 5 FDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1=CCN(C)CC1 ZINC000272992805 674495620 /nfs/dbraw/zinc/49/56/20/674495620.db2.gz QIYJYHCNVCNRAA-LLVKDONJSA-N 0 3 367.427 1.379 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000275836594 674648881 /nfs/dbraw/zinc/64/88/81/674648881.db2.gz UYXMFSWPKUUXHP-YOEHRIQHSA-N 0 3 351.403 1.752 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277399611 674935014 /nfs/dbraw/zinc/93/50/14/674935014.db2.gz JRSLQVUPDGSGNM-GFCCVEGCSA-N 0 3 354.432 1.671 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@@H](O)c1ccccc1 ZINC000040504127 670886873 /nfs/dbraw/zinc/88/68/73/670886873.db2.gz DQWSIPAZOQUOFL-OAHLLOKOSA-N 0 3 365.411 1.196 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171409590 672054247 /nfs/dbraw/zinc/05/42/47/672054247.db2.gz LMEMDBSUFCLGCB-UHFFFAOYSA-N 0 3 350.394 1.474 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245577945 672452140 /nfs/dbraw/zinc/45/21/40/672452140.db2.gz HBARMPNQNXMXLT-LSDHHAIUSA-N 0 3 353.444 1.743 20 5 FDBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000261875747 672686919 /nfs/dbraw/zinc/68/69/19/672686919.db2.gz UEABPALAAQMLFN-INIZCTEOSA-N 0 3 350.419 1.575 20 5 FDBDHN CC1(C)C[C@@H](NCCOCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279146168 675248842 /nfs/dbraw/zinc/24/88/42/675248842.db2.gz SJHRFIFOAXMWGK-OAHLLOKOSA-N 0 3 356.444 1.968 20 5 FDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000285256853 675812101 /nfs/dbraw/zinc/81/21/01/675812101.db2.gz QEXOUCGAOSBZOA-LBPRGKRZSA-N 0 3 367.431 1.373 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301801561 676540454 /nfs/dbraw/zinc/54/04/54/676540454.db2.gz CLGKEUCFGWQTDE-LLVKDONJSA-N 0 3 364.431 1.223 20 5 FDBDHN CS[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1N(C)C ZINC000331592345 676732653 /nfs/dbraw/zinc/73/26/53/676732653.db2.gz OXELERGELNSPBK-OWCLPIDISA-N 0 3 364.471 1.678 20 5 FDBDHN Cc1csc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000362870596 676926111 /nfs/dbraw/zinc/92/61/11/676926111.db2.gz FNELYHGULQMEJJ-UHFFFAOYSA-N 0 3 364.431 1.907 20 5 FDBDHN CCc1nn(C)c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364291290 677005346 /nfs/dbraw/zinc/00/53/46/677005346.db2.gz OZZROVSJCLLKOF-ZFWWWQNUSA-N 0 3 350.467 1.353 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000376549040 678332554 /nfs/dbraw/zinc/33/25/54/678332554.db2.gz UBIZECKLXHPBEY-OLZOCXBDSA-N 0 3 352.387 1.466 20 5 FDBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000416394258 679602981 /nfs/dbraw/zinc/60/29/81/679602981.db2.gz WTNCMVHAEGUVAA-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000416492525 679638752 /nfs/dbraw/zinc/63/87/52/679638752.db2.gz AOHUWZAJPLWXOW-SECBINFHSA-N 0 3 367.349 1.844 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]1(O)CCS(=O)(=O)C1)CCCC2 ZINC000417347837 679759183 /nfs/dbraw/zinc/75/91/83/679759183.db2.gz ICCLTRSAPJHSLV-HZPDHXFCSA-N 0 3 354.428 1.502 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000426957671 680964784 /nfs/dbraw/zinc/96/47/84/680964784.db2.gz UPJBDXSWDGJZJI-CQSZACIVSA-N 0 3 351.403 1.786 20 5 FDBDHN COc1c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000475651265 685622787 /nfs/dbraw/zinc/62/27/87/685622787.db2.gz ZWJKLKUIKQJBEH-CYBMUJFWSA-N 0 3 351.403 1.786 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCN1CCO ZINC000452796178 683120453 /nfs/dbraw/zinc/12/04/53/683120453.db2.gz KKOSKPOCDKUTOC-NSHDSACASA-N 0 3 357.357 1.379 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCCN1CCO ZINC000452798732 683120968 /nfs/dbraw/zinc/12/09/68/683120968.db2.gz PAWAONNTNWGKJJ-AWEZNQCLSA-N 0 3 355.822 1.754 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455171363 683406568 /nfs/dbraw/zinc/40/65/68/683406568.db2.gz QCCCQPIBQMXWNM-CYBMUJFWSA-N 0 3 352.391 1.572 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000458489726 684274039 /nfs/dbraw/zinc/27/40/39/684274039.db2.gz XRWVQXKOSLMHOV-OAHLLOKOSA-N 0 3 350.419 1.283 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000468051252 684887079 /nfs/dbraw/zinc/88/70/79/684887079.db2.gz OFOBGPVWXSROOG-WCQYABFASA-N 0 3 350.423 1.180 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127821 685010073 /nfs/dbraw/zinc/01/00/73/685010073.db2.gz FSCAEAPFPAPPSC-GFCCVEGCSA-N 0 3 353.398 1.881 20 5 FDBDHN COc1ccc(NC(=O)CCN2C[C@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000488088191 687025549 /nfs/dbraw/zinc/02/55/49/687025549.db2.gz IAQXDVZLAJNPRM-GJZGRUSLSA-N 0 3 353.375 1.278 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491215962 687153188 /nfs/dbraw/zinc/15/31/88/687153188.db2.gz GEJNWDXCFCJMOU-UHFFFAOYSA-N 0 3 352.410 1.720 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497871887 687722074 /nfs/dbraw/zinc/72/20/74/687722074.db2.gz LRROYPQCUIYRHD-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000532992847 694898936 /nfs/dbraw/zinc/89/89/36/694898936.db2.gz IUAGSOVHYZIBQK-OCCSQVGLSA-N 0 3 366.443 1.627 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164685273 719697514 /nfs/dbraw/zinc/69/75/14/719697514.db2.gz TZARAYVIESFRLL-UHFFFAOYSA-N 0 3 368.825 1.219 20 5 FDBDHN Cc1ccc(-c2noc(CN[C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)n2)cc1 ZINC001022063487 777703134 /nfs/dbraw/zinc/70/31/34/777703134.db2.gz CBCONDUXDNRIEE-LXTVHRRPSA-N 0 3 371.397 1.447 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378274553 793847026 /nfs/dbraw/zinc/84/70/26/793847026.db2.gz RDUXWJWOHDTGOQ-HUUCEWRRSA-N 0 3 358.398 1.598 20 5 FDBDHN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000500413360 796107867 /nfs/dbraw/zinc/10/78/67/796107867.db2.gz GVYJLYNSDRBXDP-DZGCQCFKSA-N 0 3 361.446 1.275 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000279503109 809040297 /nfs/dbraw/zinc/04/02/97/809040297.db2.gz MUBKPOMJMQCHKC-CQSZACIVSA-N 0 3 362.430 1.990 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425008440 815499131 /nfs/dbraw/zinc/49/91/31/815499131.db2.gz PFTRMIAHLWYFEY-WMLDXEAASA-N 0 3 367.409 1.919 20 5 FDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000420359905 813627082 /nfs/dbraw/zinc/62/70/82/813627082.db2.gz WIUSKFIUWHSDOK-UHFFFAOYSA-N 0 3 372.429 1.548 20 5 FDBDHN CC(C)(C(=O)N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413806063 814180981 /nfs/dbraw/zinc/18/09/81/814180981.db2.gz DVZVNRZBFKAEDZ-CYBMUJFWSA-N 0 3 367.421 1.975 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425821346 817153367 /nfs/dbraw/zinc/15/33/67/817153367.db2.gz QTDWVCWAALOPCS-XJKSGUPXSA-N 0 3 360.414 1.703 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425819645 817159634 /nfs/dbraw/zinc/15/96/34/817159634.db2.gz LJRGCPDPUOMOJB-XJKSGUPXSA-N 0 3 360.414 1.703 20 5 FDBDHN Cc1nn(CCC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000517093132 817215796 /nfs/dbraw/zinc/21/57/96/817215796.db2.gz WURLVYMMIJTGKA-HNNXBMFYSA-N 0 3 367.450 1.367 20 5 FDBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)CCN2C1=O ZINC000518397369 817858764 /nfs/dbraw/zinc/85/87/64/817858764.db2.gz GMZYXCSNSSDJGU-KDOFPFPSSA-N 0 3 360.417 1.772 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000520562282 820086104 /nfs/dbraw/zinc/08/61/04/820086104.db2.gz DYPJONGFXLKJFC-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN Cc1c(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440990719 828453499 /nfs/dbraw/zinc/45/34/99/828453499.db2.gz NPMWXZJTSPIIPB-UHFFFAOYSA-N 0 3 363.462 1.728 20 5 FDBDHN CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCCN(C)C1 ZINC000525620378 828671230 /nfs/dbraw/zinc/67/12/30/828671230.db2.gz PDBKHBOLSIAJDD-QWHCGFSZSA-N 0 3 364.402 1.345 20 5 FDBDHN C[C@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000522682605 825735254 /nfs/dbraw/zinc/73/52/54/825735254.db2.gz UORHDGYXEUABND-BBRMVZONSA-N 0 3 370.413 1.970 20 5 FDBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000280998229 825841301 /nfs/dbraw/zinc/84/13/01/825841301.db2.gz KGSUORBCPLNLNQ-GDBMZVCRSA-N 0 3 355.398 1.934 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000281056802 825866655 /nfs/dbraw/zinc/86/66/55/825866655.db2.gz YCJHDEDZWPLLIJ-CYBMUJFWSA-N 0 3 374.445 1.929 20 5 FDBDHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000523670968 828240355 /nfs/dbraw/zinc/24/03/55/828240355.db2.gz YQWXBTPBVPQKNN-ZDUSSCGKSA-N 0 3 371.397 1.873 20 5 FDBDHN Cc1cc(N2CC[C@@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449177667 829409849 /nfs/dbraw/zinc/40/98/49/829409849.db2.gz WJTOUORFUSLVAA-IUODEOHRSA-N 0 3 357.414 1.963 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451915769 830468893 /nfs/dbraw/zinc/46/88/93/830468893.db2.gz IXXQPLRIQIVJCC-OAHLLOKOSA-N 0 3 362.430 1.390 20 5 FDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000452782070 830778521 /nfs/dbraw/zinc/77/85/21/830778521.db2.gz JDTGANASZALUGF-HNNXBMFYSA-N 0 3 373.413 1.562 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000452796815 830781600 /nfs/dbraw/zinc/78/16/00/830781600.db2.gz LSNIHBTYDMGXEO-OAHLLOKOSA-N 0 3 365.430 1.635 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000531583188 830807619 /nfs/dbraw/zinc/80/76/19/830807619.db2.gz NPBIBEWCLVYRJW-MRXNPFEDSA-N 0 3 364.421 1.974 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531887331 830906891 /nfs/dbraw/zinc/90/68/91/830906891.db2.gz IBCIEWRINKXQNW-UHFFFAOYSA-N 0 3 370.409 1.877 20 5 FDBDHN Cc1nc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001029964589 831934291 /nfs/dbraw/zinc/93/42/91/831934291.db2.gz PZSQIVGGXYVGRZ-HUUCEWRRSA-N 0 3 352.460 1.787 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428549487 832849751 /nfs/dbraw/zinc/84/97/51/832849751.db2.gz PIUVUFVAJDYWLB-HNNXBMFYSA-N 0 3 359.386 1.305 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)[C@H](CC)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000477344856 842531587 /nfs/dbraw/zinc/53/15/87/842531587.db2.gz AWOAJOYIIVJGJN-HNNXBMFYSA-N 0 3 364.446 1.982 20 5 FDBDHN Cc1c(CNCc2cnc(N3CCN(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000480499250 845358661 /nfs/dbraw/zinc/35/86/61/845358661.db2.gz OHORQTMPPZCNII-UHFFFAOYSA-N 0 3 356.430 1.735 20 5 FDBDHN CCN1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)[C@H](C)C1 ZINC000906598027 853066893 /nfs/dbraw/zinc/06/68/93/853066893.db2.gz SVCSZXNYQXUEDQ-CQSZACIVSA-N 0 3 372.429 1.791 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906972907 853602650 /nfs/dbraw/zinc/60/26/50/853602650.db2.gz QFOAWWFEESPVTI-SMDDNHRTSA-N 0 3 361.398 1.969 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489207765 859411091 /nfs/dbraw/zinc/41/10/91/859411091.db2.gz STYHSYIBPGCIRR-UKRRQHHQSA-N 0 3 365.430 1.967 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000912610106 859954818 /nfs/dbraw/zinc/95/48/18/859954818.db2.gz BMUYULVHSGKFIL-UHFFFAOYSA-N 0 3 350.419 1.191 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C[C@@H]21 ZINC000456159731 866737313 /nfs/dbraw/zinc/73/73/13/866737313.db2.gz FWCDCAGQOHBDOT-MFKMUULPSA-N 0 3 374.426 1.640 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272581089 877964146 /nfs/dbraw/zinc/96/41/46/877964146.db2.gz GTPNYPKEHTXQLG-BBRMVZONSA-N 0 3 360.414 1.267 20 5 FDBDHN CC[C@H](CN1CCOCC1)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000922590704 878721849 /nfs/dbraw/zinc/72/18/49/878721849.db2.gz VFBFMYGXRHUCQF-CQSZACIVSA-N 0 3 353.419 1.812 20 5 FDBDHN CO[C@@]1(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922619928 878833560 /nfs/dbraw/zinc/83/35/60/878833560.db2.gz WDEOENQLVJPBER-WDBUWWRISA-N 0 3 354.428 1.791 20 5 FDBDHN COc1ccc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001005377384 883153078 /nfs/dbraw/zinc/15/30/78/883153078.db2.gz DXXBWYSXJWEKEL-GDBMZVCRSA-N 0 3 365.405 1.922 20 5 FDBDHN Cc1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1[N+](=O)[O-] ZINC000919095404 885291806 /nfs/dbraw/zinc/29/18/06/885291806.db2.gz AOHFWZMRPYUHRN-INIZCTEOSA-N 0 3 353.444 1.809 20 5 FDBDHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000498736364 885666511 /nfs/dbraw/zinc/66/65/11/885666511.db2.gz KVJKAJPLTODXRN-OLZOCXBDSA-N 0 3 364.402 1.345 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3cnns3)C2)CC1 ZINC001035186431 885721650 /nfs/dbraw/zinc/72/16/50/885721650.db2.gz DYSRRQWTDNCUBO-CHWSQXEVSA-N 0 3 351.432 1.018 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC000923384603 889067925 /nfs/dbraw/zinc/06/79/25/889067925.db2.gz IWZSNXKRRGQQBT-KBPBESRZSA-N 0 3 356.220 1.920 20 5 FDBDHN O=C(NC1CCN(Cc2cnn(-c3ccccc3)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002785146 893943159 /nfs/dbraw/zinc/94/31/59/893943159.db2.gz NKMLGMZHVZNFHK-QZTJIDSGSA-N 0 3 369.425 1.618 20 5 FDBDHN COc1cc(CCN[C@@H](Cc2ccccc2)C(N)=O)c([N+](=O)[O-])cc1OC ZINC000273522123 896935710 /nfs/dbraw/zinc/93/57/10/896935710.db2.gz SSCWRCLBJJDGIT-HNNXBMFYSA-N 0 3 373.409 1.841 20 5 FDBDHN NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273009772 910872067 /nfs/dbraw/zinc/87/20/67/910872067.db2.gz OLKYMIGHJZMJHC-ZDUSSCGKSA-N 0 3 371.319 1.496 20 5 FDBDHN CCCc1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086363115 926828962 /nfs/dbraw/zinc/82/89/62/926828962.db2.gz CKRIBJDFRQXZSC-DDHJBXDOSA-N 0 3 353.448 1.140 20 5 FDBDHN CC(C)(C)OC(=O)NCCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011316 928221489 /nfs/dbraw/zinc/22/14/89/928221489.db2.gz JTNXRECPFOKHAD-GJZGRUSLSA-N 0 3 356.467 1.574 20 5 FDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)C1 ZINC001169025476 928251280 /nfs/dbraw/zinc/25/12/80/928251280.db2.gz JHBIBZDOMUKWKD-JSRQGNBESA-N 0 3 362.430 1.780 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000769760122 929645628 /nfs/dbraw/zinc/64/56/28/929645628.db2.gz KQUMZFDVSKTTSZ-CYBMUJFWSA-N 0 3 351.476 1.907 20 5 FDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000772534154 931338018 /nfs/dbraw/zinc/33/80/18/931338018.db2.gz SINPMUOTPAOYLY-JOYOIKCWSA-N 0 3 360.326 1.727 20 5 FDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000772534113 931338888 /nfs/dbraw/zinc/33/88/88/931338888.db2.gz SINPMUOTPAOYLY-BXKDBHETSA-N 0 3 360.326 1.727 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747325607 939899012 /nfs/dbraw/zinc/89/90/12/939899012.db2.gz OMDDWFZDFXRBDO-KGLIPLIRSA-N 0 3 351.428 1.666 20 5 FDBDHN COc1ccc(CNC[C@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000811814003 941167686 /nfs/dbraw/zinc/16/76/86/941167686.db2.gz PGUBPULEHFQSDG-KRWDZBQOSA-N 0 3 369.418 1.969 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@]12CCOC2 ZINC001195241616 970784789 /nfs/dbraw/zinc/78/47/89/970784789.db2.gz IAMAJNRNHATOMI-CJNGLKHVSA-N 0 3 369.443 1.232 20 5 FDBDHN COc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(OC)c1 ZINC000813102325 941326102 /nfs/dbraw/zinc/32/61/02/941326102.db2.gz PSRMGAXKCPAYPH-GHMZBOCLSA-N 0 3 352.343 1.265 20 5 FDBDHN CC(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[N+](=O)[O-] ZINC000813104172 941326410 /nfs/dbraw/zinc/32/64/10/941326410.db2.gz XJVWWOQLSHDNRO-ZXIHIIQKSA-N 0 3 368.386 1.925 20 5 FDBDHN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106397 941333790 /nfs/dbraw/zinc/33/37/90/941333790.db2.gz CLHJEDIPDMUBCD-GHMZBOCLSA-N 0 3 359.404 1.188 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813110261 941335279 /nfs/dbraw/zinc/33/52/79/941335279.db2.gz WAPCCDVGGLTEEU-VXGBXAGGSA-N 0 3 370.789 1.776 20 5 FDBDHN CSC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000813110642 941335294 /nfs/dbraw/zinc/33/52/94/941335294.db2.gz GEJSGYVVBCPNIC-WISYIIOYSA-N 0 3 358.416 1.102 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813110714 941335335 /nfs/dbraw/zinc/33/53/35/941335335.db2.gz IACQCPGWXKZCSF-ZDUSSCGKSA-N 0 3 358.416 1.570 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813111159 941335726 /nfs/dbraw/zinc/33/57/26/941335726.db2.gz PGRTYAHHJSUVGQ-PWSUYJOCSA-N 0 3 362.338 1.284 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813114324 941336330 /nfs/dbraw/zinc/33/63/30/941336330.db2.gz PRQOXNNCHGHXFL-GFCCVEGCSA-N 0 3 356.400 1.683 20 5 FDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)CN1CCN(C)CC1 ZINC000816939068 942413722 /nfs/dbraw/zinc/41/37/22/942413722.db2.gz RXUVWZUVBSFPMQ-LBPRGKRZSA-N 0 3 354.838 1.862 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)c2ccccc2)cc1 ZINC000818976270 943390830 /nfs/dbraw/zinc/39/08/30/943390830.db2.gz YKZRSRXPVCWULX-MRXNPFEDSA-N 0 3 365.411 1.196 20 5 FDBDHN O=C1[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000819182006 943465241 /nfs/dbraw/zinc/46/52/41/943465241.db2.gz GFPMJRNJOPAMDQ-QWHCGFSZSA-N 0 3 361.320 1.771 20 5 FDBDHN COCC(C)(C)N1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000819895101 943787297 /nfs/dbraw/zinc/78/72/97/943787297.db2.gz IEZBUTGYLRGZKL-UHFFFAOYSA-N 0 3 362.434 1.648 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000822094244 944862702 /nfs/dbraw/zinc/86/27/02/944862702.db2.gz MORXLHCSTDDDBH-UHFFFAOYSA-N 0 3 367.377 1.739 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823565657 945852090 /nfs/dbraw/zinc/85/20/90/945852090.db2.gz AZDOINJFNSRKCO-WQVCFCJDSA-N 0 3 360.414 1.277 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825370701 947199579 /nfs/dbraw/zinc/19/95/79/947199579.db2.gz PGBHBBMAOHUYKH-OAHLLOKOSA-N 0 3 364.377 1.288 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844032100 947623496 /nfs/dbraw/zinc/62/34/96/947623496.db2.gz ALNWRNYBQKAIHH-CMPYXILNSA-N 0 3 360.414 1.577 20 5 FDBDHN C/C(=C\C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844036049 947636198 /nfs/dbraw/zinc/63/61/98/947636198.db2.gz PWKSFTZYNUKLNN-CMPYXILNSA-N 0 3 360.414 1.577 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC[C@@H]2CCOC2)c1 ZINC000844764458 948371344 /nfs/dbraw/zinc/37/13/44/948371344.db2.gz IRBDDOWHUSBHEH-LLVKDONJSA-N 0 3 367.358 1.433 20 5 FDBDHN COCCN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845875490 950046903 /nfs/dbraw/zinc/04/69/03/950046903.db2.gz MUFLTXAUVOQTLR-OZVIIMIRSA-N 0 3 368.361 1.570 20 5 FDBDHN CCOC(=O)C1(CNCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC001181065331 960548462 /nfs/dbraw/zinc/54/84/62/960548462.db2.gz JUWUMRBEHREXQA-UHFFFAOYSA-N 0 3 366.370 1.580 20 5 FDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001173225153 961969562 /nfs/dbraw/zinc/96/95/62/961969562.db2.gz MOUIENPUTGKJAW-OLMNPRSZSA-N 0 3 369.425 1.905 20 5 FDBDHN COC(=O)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776582843 967137631 /nfs/dbraw/zinc/13/76/31/967137631.db2.gz CLRBLQLNTKELPK-CVEARBPZSA-N 0 3 352.387 1.672 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN1CC2(C1)CCOCC2 ZINC000866256734 975512069 /nfs/dbraw/zinc/51/20/69/975512069.db2.gz SKNJLIBSULPFQI-UHFFFAOYSA-N 0 3 362.430 1.503 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000266071433 975659149 /nfs/dbraw/zinc/65/91/49/975659149.db2.gz FEQLJCHEGOFYGE-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000867808366 976907508 /nfs/dbraw/zinc/90/75/08/976907508.db2.gz MXWLMIGIONDPAK-WCQYABFASA-N 0 3 357.407 1.757 20 5 FDBDHN Cc1c(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000849581921 977784418 /nfs/dbraw/zinc/78/44/18/977784418.db2.gz JKZNVRIUVGRVBD-IRXDYDNUSA-N 0 3 371.441 1.988 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1Cl ZINC000857649225 981621168 /nfs/dbraw/zinc/62/11/68/981621168.db2.gz QIPFKDBVXWRHQB-UHFFFAOYSA-N 0 3 370.837 1.649 20 5 FDBDHN CO[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000860777843 983513480 /nfs/dbraw/zinc/51/34/80/983513480.db2.gz XFKKKYKMVFZSPR-CFVMTHIKSA-N 0 3 366.370 1.621 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101951 984116362 /nfs/dbraw/zinc/11/63/62/984116362.db2.gz XCQKIQLWNGLYSV-CYBMUJFWSA-N 0 3 370.409 1.940 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957170 985002057 /nfs/dbraw/zinc/00/20/57/985002057.db2.gz MEWCGMMTSYMERB-VXGBXAGGSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957170 985002070 /nfs/dbraw/zinc/00/20/70/985002070.db2.gz MEWCGMMTSYMERB-VXGBXAGGSA-N 0 3 357.407 1.947 20 5 FDBDHN CN(CC(=O)NC[C@@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885872834 985735871 /nfs/dbraw/zinc/73/58/71/985735871.db2.gz KVBDUKQDZNJADD-HNNXBMFYSA-N 0 3 362.430 1.401 20 5 FDBDHN C[C@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033870 987444839 /nfs/dbraw/zinc/44/48/39/987444839.db2.gz HAKPCIORHOMLFS-LSDHHAIUSA-N 0 3 366.437 1.791 20 5 FDBDHN COc1ccc(OCCNC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000796583210 1015364573 /nfs/dbraw/zinc/36/45/73/1015364573.db2.gz VCFFYCDXVZSHTP-UHFFFAOYSA-N 0 3 351.403 1.973 20 5 FDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000370700674 989939207 /nfs/dbraw/zinc/93/92/07/989939207.db2.gz SYOIAPUCIDUWQS-YJBOKZPZSA-N 0 3 372.429 1.728 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000365558981 990291270 /nfs/dbraw/zinc/29/12/70/990291270.db2.gz UPFVVKINKTXGIY-INIZCTEOSA-N 0 3 359.430 1.481 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000874832714 990557214 /nfs/dbraw/zinc/55/72/14/990557214.db2.gz HNDXNBVGVUDTBG-LSDHHAIUSA-N 0 3 365.455 1.988 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000874847494 990574829 /nfs/dbraw/zinc/57/48/29/990574829.db2.gz PDTVWYANBTWDKY-KBPBESRZSA-N 0 3 374.397 1.015 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)n1 ZINC000371776874 990710559 /nfs/dbraw/zinc/71/05/59/990710559.db2.gz CNBWIUCEYXRXNM-UHFFFAOYSA-N 0 3 373.413 1.710 20 5 FDBDHN CN1CCC[C@]2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1=O ZINC000372548139 991203310 /nfs/dbraw/zinc/20/33/10/991203310.db2.gz QHGQFGXQCJZFKX-QFBILLFUSA-N 0 3 372.425 1.644 20 5 FDBDHN NC(=O)c1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])c1 ZINC000375307889 993063429 /nfs/dbraw/zinc/06/34/29/993063429.db2.gz IFFVDVMLWLUKGJ-IBGZPJMESA-N 0 3 366.377 1.790 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000880027522 995563335 /nfs/dbraw/zinc/56/33/35/995563335.db2.gz YTDHGETXDKHQNK-SUMWQHHRSA-N 0 3 365.434 1.980 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1=O ZINC000270130760 999516339 /nfs/dbraw/zinc/51/63/39/999516339.db2.gz GZOGNLPLKSQTDL-UHFFFAOYSA-N 0 3 366.324 1.849 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000930978300 1003736047 /nfs/dbraw/zinc/73/60/47/1003736047.db2.gz LXEBHRURJNQEME-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704074 1005111295 /nfs/dbraw/zinc/11/12/95/1005111295.db2.gz SETRVUMYKMQWKU-JLSDUUJJSA-N 0 3 360.458 1.841 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O)(C2CCC2)CC1 ZINC000932817038 1005195396 /nfs/dbraw/zinc/19/53/96/1005195396.db2.gz CEIYCUIMUDBOBL-HNNXBMFYSA-N 0 3 350.415 1.962 20 5 FDBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)CCN(C)CC1 ZINC000933994823 1005675124 /nfs/dbraw/zinc/67/51/24/1005675124.db2.gz DCSRTAXALYDGJT-CQSZACIVSA-N 0 3 374.445 1.885 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000935984021 1006206697 /nfs/dbraw/zinc/20/66/97/1006206697.db2.gz KZEFJDAHQANCHJ-CABCVRRESA-N 0 3 351.378 1.334 20 5 FDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccccc2OC)C1 ZINC000950056170 1008702233 /nfs/dbraw/zinc/70/22/33/1008702233.db2.gz VPHHJBXNQAKHOF-IAGOWNOFSA-N 0 3 361.442 1.826 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190991212 178034349 /nfs/dbraw/zinc/03/43/49/178034349.db2.gz LKMMXNMAVFDEIA-QGZVFWFLSA-N 0 3 373.413 1.199 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193293212 178156820 /nfs/dbraw/zinc/15/68/20/178156820.db2.gz IOZAXAICKXRZLC-CABZTGNLSA-N 0 3 361.395 1.538 20 5 FDBDHN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000193668582 178175170 /nfs/dbraw/zinc/17/51/70/178175170.db2.gz WFVXZCLKWAINGQ-HUUCEWRRSA-N 0 3 354.794 1.783 20 5 FDBDHN NC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000238016026 178343705 /nfs/dbraw/zinc/34/37/05/178343705.db2.gz KZOIVQSYJFHYHI-MRXNPFEDSA-N 0 3 354.410 1.986 20 5 FDBDHN C[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000237797765 178331189 /nfs/dbraw/zinc/33/11/89/178331189.db2.gz RBPFQWQIIDZLQY-GOSISDBHSA-N 0 3 360.414 1.411 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264538874 179130345 /nfs/dbraw/zinc/13/03/45/179130345.db2.gz NIIKWCJWMBWHCZ-KRWDZBQOSA-N 0 3 374.441 1.802 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264615627 179149328 /nfs/dbraw/zinc/14/93/28/179149328.db2.gz JJBFPJMWAVTMAB-UHFFFAOYSA-N 0 3 359.430 1.786 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCN1CCOCC1 ZINC000265089178 179283661 /nfs/dbraw/zinc/28/36/61/179283661.db2.gz ATBGBPWOOWIUQD-UHFFFAOYSA-N 0 3 366.418 1.196 20 5 FDBDHN CC(C)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000522810593 539582274 /nfs/dbraw/zinc/58/22/74/539582274.db2.gz OTDSWBPSIGYBLW-GFCCVEGCSA-N 0 3 369.443 1.458 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000268180319 180017821 /nfs/dbraw/zinc/01/78/21/180017821.db2.gz CLSZHERRBJPWBR-LBPRGKRZSA-N 0 3 368.821 1.275 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000268398608 180072216 /nfs/dbraw/zinc/07/22/16/180072216.db2.gz PCHNPDLCGUJXQQ-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000268831384 180165943 /nfs/dbraw/zinc/16/59/43/180165943.db2.gz MKOFCKNGEWMFSN-MRXNPFEDSA-N 0 3 362.430 1.736 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000268897417 180175963 /nfs/dbraw/zinc/17/59/63/180175963.db2.gz ZFEWTXZMCVZLRE-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000269154806 180228822 /nfs/dbraw/zinc/22/88/22/180228822.db2.gz FKANXCVIEDDVLV-UHFFFAOYSA-N 0 3 371.397 1.807 20 5 FDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269158269 180229499 /nfs/dbraw/zinc/22/94/99/180229499.db2.gz JGWBZMOQDRIEHX-UHFFFAOYSA-N 0 3 370.413 1.718 20 5 FDBDHN COc1ccnc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000269385976 180291238 /nfs/dbraw/zinc/29/12/38/180291238.db2.gz KORUNUXZQSOJDL-UHFFFAOYSA-N 0 3 374.401 1.807 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000546888588 542252229 /nfs/dbraw/zinc/25/22/29/542252229.db2.gz NLZINPCCUZPIDV-HNNXBMFYSA-N 0 3 358.402 1.086 20 5 FDBDHN CN(C)CCOc1ccccc1-c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000273973188 181005390 /nfs/dbraw/zinc/00/53/90/181005390.db2.gz VLKSKFIDLHDVPY-UHFFFAOYSA-N 0 3 358.358 1.830 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274454177 181098056 /nfs/dbraw/zinc/09/80/56/181098056.db2.gz IHVPIKBSHSWALH-HNNXBMFYSA-N 0 3 373.457 1.692 20 5 FDBDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274463667 181099833 /nfs/dbraw/zinc/09/98/33/181099833.db2.gz KIQBVGRZIXERRX-UKRRQHHQSA-N 0 3 362.430 1.702 20 5 FDBDHN CCN1CCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000531654952 540110114 /nfs/dbraw/zinc/11/01/14/540110114.db2.gz CYKZHTSYSVEYDF-LBPRGKRZSA-N 0 3 356.448 1.741 20 5 FDBDHN CNc1ccc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000534980938 540433771 /nfs/dbraw/zinc/43/37/71/540433771.db2.gz FTZCDWHIGVXEAC-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537044373 540678000 /nfs/dbraw/zinc/67/80/00/540678000.db2.gz HNDSDDLTGYLKIL-HNNXBMFYSA-N 0 3 363.462 1.983 20 5 FDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540175403 541031500 /nfs/dbraw/zinc/03/15/00/541031500.db2.gz HITHOQRNWHTPPG-AWEZNQCLSA-N 0 3 371.459 1.668 20 5 FDBDHN COc1cc(CN2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000934264645 781937656 /nfs/dbraw/zinc/93/76/56/781937656.db2.gz ICNWPFZPLFZDIE-HUUCEWRRSA-N 0 3 353.394 1.774 20 5 FDBDHN CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275503906 181336017 /nfs/dbraw/zinc/33/60/17/181336017.db2.gz SUTFGYWPQOANPU-CABCVRRESA-N 0 3 350.444 1.710 20 5 FDBDHN CN1CCC(O)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541961949 541308900 /nfs/dbraw/zinc/30/89/00/541308900.db2.gz QPKDFQZEBGKMMP-UHFFFAOYSA-N 0 3 359.329 1.383 20 5 FDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000275580506 181358767 /nfs/dbraw/zinc/35/87/67/181358767.db2.gz PSFRRFOOKJSKPA-CQSZACIVSA-N 0 3 367.402 1.669 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCCCN2CCN(CCO)CC2)n1 ZINC000543791335 541662822 /nfs/dbraw/zinc/66/28/22/541662822.db2.gz FPYRIAXEBBGBRH-UHFFFAOYSA-N 0 3 351.451 1.409 20 5 FDBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000544623423 541796957 /nfs/dbraw/zinc/79/69/57/541796957.db2.gz ALHMZZPPMIOWLJ-GFCCVEGCSA-N 0 3 353.398 1.739 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000282375257 182000767 /nfs/dbraw/zinc/00/07/67/182000767.db2.gz GHXAPMOKIBYKTG-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN COCC[C@@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282424785 182009229 /nfs/dbraw/zinc/00/92/29/182009229.db2.gz YUKGXBCMFIFSMF-UONOGXRCSA-N 0 3 371.459 1.668 20 5 FDBDHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000282715609 182047014 /nfs/dbraw/zinc/04/70/14/182047014.db2.gz NLCHEIPKLPEKTJ-AWEZNQCLSA-N 0 3 363.462 1.981 20 5 FDBDHN CCCNC(=O)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000287368444 183274148 /nfs/dbraw/zinc/27/41/48/183274148.db2.gz MIHPDHHHWXINPW-DZGCQCFKSA-N 0 3 369.422 1.143 20 5 FDBDHN CN(C)C(=O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295092996 184033351 /nfs/dbraw/zinc/03/33/51/184033351.db2.gz GFVPFBWOXUYIJF-HNNXBMFYSA-N 0 3 365.430 1.715 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000296351393 184156640 /nfs/dbraw/zinc/15/66/40/184156640.db2.gz HTLAKUXVXSNXDP-KGLIPLIRSA-N 0 3 374.445 1.447 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000297402196 184266919 /nfs/dbraw/zinc/26/69/19/184266919.db2.gz NJAZYHPOORMTIQ-UHFFFAOYSA-N 0 3 362.390 1.683 20 5 FDBDHN C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297448801 184273015 /nfs/dbraw/zinc/27/30/15/184273015.db2.gz BNIYHPJEYNXVKF-HNNXBMFYSA-N 0 3 363.462 1.935 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000186974423 177777069 /nfs/dbraw/zinc/77/70/69/177777069.db2.gz OFADSSRRSHCTRY-SNVBAGLBSA-N 0 3 361.395 1.457 20 5 FDBDHN CN(C)CCOc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548058039 542542985 /nfs/dbraw/zinc/54/29/85/542542985.db2.gz IUJCDWOJYSXPKS-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN COc1ccc(NC(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000548192984 542579840 /nfs/dbraw/zinc/57/98/40/542579840.db2.gz HPMLTSFCOVZTPW-UHFFFAOYSA-N 0 3 353.423 1.561 20 5 FDBDHN CN1CCN(CCCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000548416153 542661327 /nfs/dbraw/zinc/66/13/27/542661327.db2.gz IILHISJECBWNNZ-UHFFFAOYSA-N 0 3 353.398 1.883 20 5 FDBDHN O=C(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000549152083 542844310 /nfs/dbraw/zinc/84/43/10/542844310.db2.gz JPKFYLRZNPVEGD-HNNXBMFYSA-N 0 3 351.403 1.327 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(C)CCCO1 ZINC000551012923 543215585 /nfs/dbraw/zinc/21/55/85/543215585.db2.gz CEVVHKQHVPDOCV-IUODEOHRSA-N 0 3 357.432 1.420 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000552695724 543503498 /nfs/dbraw/zinc/50/34/98/543503498.db2.gz DLOMTKZDEOGVJO-UHFFFAOYSA-N 0 3 353.375 1.016 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000068861534 172023923 /nfs/dbraw/zinc/02/39/23/172023923.db2.gz SINRJLPVIACFOT-UHFFFAOYSA-N 0 3 351.403 1.830 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970674 172035294 /nfs/dbraw/zinc/03/52/94/172035294.db2.gz JNWCFBDWMRDQQB-CYBMUJFWSA-N 0 3 365.434 1.455 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970674 172035296 /nfs/dbraw/zinc/03/52/96/172035296.db2.gz JNWCFBDWMRDQQB-CYBMUJFWSA-N 0 3 365.434 1.455 20 5 FDBDHN CC(C)C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(C)C ZINC000074137047 172074295 /nfs/dbraw/zinc/07/42/95/172074295.db2.gz VGQKWMPVKUUOIQ-CQSZACIVSA-N 0 3 360.418 1.882 20 5 FDBDHN COc1ccccc1C[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675413 172094888 /nfs/dbraw/zinc/09/48/88/172094888.db2.gz PQCZOBQRJSORPT-WBVHZDCISA-N 0 3 360.414 1.868 20 5 FDBDHN CC[C@@H]1CN(C)c2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088562285 172234494 /nfs/dbraw/zinc/23/44/94/172234494.db2.gz BEFPRWLDCMKWCO-WBVHZDCISA-N 0 3 359.430 1.883 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000090519812 172265375 /nfs/dbraw/zinc/26/53/75/172265375.db2.gz YRCBZTYULDBQIA-OAGGEKHMSA-N 0 3 364.446 1.330 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000126561864 173046381 /nfs/dbraw/zinc/04/63/81/173046381.db2.gz SSSDVZRGFATANW-UHFFFAOYSA-N 0 3 372.429 1.870 20 5 FDBDHN COc1ccc(OCCN2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC000155867136 173564935 /nfs/dbraw/zinc/56/49/35/173564935.db2.gz JITLGINGKDYZAI-UHFFFAOYSA-N 0 3 361.402 1.986 20 5 FDBDHN CCCc1n[n-]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197317 258320972 /nfs/dbraw/zinc/32/09/72/258320972.db2.gz ZZXGSTMISYDDSL-LBPRGKRZSA-N 0 3 351.407 1.065 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000554336283 543785810 /nfs/dbraw/zinc/78/58/10/543785810.db2.gz YUNCQNVQGLUDOB-GXTWGEPZSA-N 0 3 360.414 1.078 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C1CC1 ZINC000557561236 544309044 /nfs/dbraw/zinc/30/90/44/544309044.db2.gz IMCOWIGGVFVMBL-ZDUSSCGKSA-N 0 3 374.441 1.685 20 5 FDBDHN CCNC(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000558119337 544387379 /nfs/dbraw/zinc/38/73/79/544387379.db2.gz DHLKOWWSWMATBJ-MRXNPFEDSA-N 0 3 373.409 1.874 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](N2CCCC2)C1 ZINC000301231444 259023864 /nfs/dbraw/zinc/02/38/64/259023864.db2.gz FOMLOCYMYRQVOZ-CYBMUJFWSA-N 0 3 354.432 1.307 20 5 FDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](N2CCCC2)C1 ZINC000302090432 259038756 /nfs/dbraw/zinc/03/87/56/259038756.db2.gz LXQQURJDCLNGSE-CYBMUJFWSA-N 0 3 354.432 1.307 20 5 FDBDHN CCOc1cccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000302132813 259039522 /nfs/dbraw/zinc/03/95/22/259039522.db2.gz CBXAZYIMSBXXRW-HNNXBMFYSA-N 0 3 362.430 1.912 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)CC1 ZINC000331549640 259203187 /nfs/dbraw/zinc/20/31/87/259203187.db2.gz VNUSPSLDLCJQFY-CYBMUJFWSA-N 0 3 352.439 1.381 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000332450169 259267667 /nfs/dbraw/zinc/26/76/67/259267667.db2.gz TXHPGYXQTGPHBI-QLFBSQMISA-N 0 3 362.430 1.620 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363151199 259541864 /nfs/dbraw/zinc/54/18/64/259541864.db2.gz CPZVDXXWQXYBGJ-LBPRGKRZSA-N 0 3 355.416 1.462 20 5 FDBDHN CCOc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363706967 259647722 /nfs/dbraw/zinc/64/77/22/259647722.db2.gz DTPJNXCCSFFOIB-OAHLLOKOSA-N 0 3 363.414 1.977 20 5 FDBDHN COC(=O)c1cc(C)nc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000367265609 260018422 /nfs/dbraw/zinc/01/84/22/260018422.db2.gz YLQZELUQVKQOSJ-CYBMUJFWSA-N 0 3 364.402 1.750 20 5 FDBDHN CCOC(=O)[C@]1(COC)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000374172440 261088960 /nfs/dbraw/zinc/08/89/60/261088960.db2.gz LNVGXYSMWPFXNO-QGZVFWFLSA-N 0 3 367.402 1.048 20 5 FDBDHN CCCN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000374224055 261096558 /nfs/dbraw/zinc/09/65/58/261096558.db2.gz QCAQGOPGEVMLKG-UHFFFAOYSA-N 0 3 374.397 1.135 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)C1 ZINC000374762363 261190547 /nfs/dbraw/zinc/19/05/47/261190547.db2.gz CQKYOLIUSSFNPD-LBPRGKRZSA-N 0 3 365.409 1.168 20 5 FDBDHN C[C@@H](CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C1CC1 ZINC000375376413 261325972 /nfs/dbraw/zinc/32/59/72/261325972.db2.gz BPLCSNFCNRVQKT-GXTWGEPZSA-N 0 3 350.423 1.621 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000377481843 261805011 /nfs/dbraw/zinc/80/50/11/261805011.db2.gz PCJDVSDLWJOGBP-GFCCVEGCSA-N 0 3 355.416 1.462 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000271388459 674338904 /nfs/dbraw/zinc/33/89/04/674338904.db2.gz KTXIGZXSIGHIAT-UHFFFAOYSA-N 0 3 367.475 1.810 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007340203 518414707 /nfs/dbraw/zinc/41/47/07/518414707.db2.gz IMFHHCIIODDLKQ-UHFFFAOYSA-N 0 3 352.822 1.993 20 5 FDBDHN CC[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])N1CCCC1 ZINC000029623242 519304256 /nfs/dbraw/zinc/30/42/56/519304256.db2.gz BLXXMBHKWFFTRI-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000041321454 519651924 /nfs/dbraw/zinc/65/19/24/519651924.db2.gz URZZRFRCTPDRCC-CQSZACIVSA-N 0 3 350.419 1.934 20 5 FDBDHN CN1CCN(CCCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000041362611 519653235 /nfs/dbraw/zinc/65/32/35/519653235.db2.gz AIAMVMDHVXVPOG-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000043270173 521842963 /nfs/dbraw/zinc/84/29/63/521842963.db2.gz BLMASOPWZSJFKW-ZDUSSCGKSA-N 0 3 358.402 1.637 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000044533554 521965031 /nfs/dbraw/zinc/96/50/31/521965031.db2.gz VNLOLNHQVVQYDN-GFCCVEGCSA-N 0 3 374.397 1.039 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073095298 522465136 /nfs/dbraw/zinc/46/51/36/522465136.db2.gz IZOVCWQPIXQPRQ-CYBMUJFWSA-N 0 3 363.414 1.709 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000061524751 522466339 /nfs/dbraw/zinc/46/63/39/522466339.db2.gz LOMGDFUOSYTRGO-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN O=C(CNC1(CO)Cc2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000074326781 522751878 /nfs/dbraw/zinc/75/18/78/522751878.db2.gz JVXNWKQOHVNVRA-UHFFFAOYSA-N 0 3 367.405 1.603 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066223380 522989878 /nfs/dbraw/zinc/98/98/78/522989878.db2.gz HKCWVCYIMFNCBQ-ZDUSSCGKSA-N 0 3 362.386 1.239 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066223381 522991775 /nfs/dbraw/zinc/99/17/75/522991775.db2.gz HKCWVCYIMFNCBQ-CYBMUJFWSA-N 0 3 362.386 1.239 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000067271250 523371655 /nfs/dbraw/zinc/37/16/55/523371655.db2.gz MIRLNAVYTKEGNN-INIZCTEOSA-N 0 3 370.413 1.876 20 5 FDBDHN CN1CCC(O)(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077839456 523486436 /nfs/dbraw/zinc/48/64/36/523486436.db2.gz SCRWEOMWZFTDSR-UHFFFAOYSA-N 0 3 364.446 1.673 20 5 FDBDHN CN(CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281526 523610470 /nfs/dbraw/zinc/61/04/70/523610470.db2.gz NGTHYBFVKSFIAC-UHFFFAOYSA-N 0 3 370.409 1.573 20 5 FDBDHN COC1CCN(CCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000079682079 523780662 /nfs/dbraw/zinc/78/06/62/523780662.db2.gz BTNDURMBTBIBSF-UHFFFAOYSA-N 0 3 353.423 1.025 20 5 FDBDHN CS(=O)(=O)NC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055902735 523874111 /nfs/dbraw/zinc/87/41/11/523874111.db2.gz AVQCAIYXEJFMOL-CQSZACIVSA-N 0 3 371.459 1.625 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000120959191 524110101 /nfs/dbraw/zinc/11/01/01/524110101.db2.gz WZNFRPOOEDJVFR-GFCCVEGCSA-N 0 3 362.430 1.998 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000083026365 524232058 /nfs/dbraw/zinc/23/20/58/524232058.db2.gz XXNCHTRBMFKBAE-RYUDHWBXSA-N 0 3 368.409 1.935 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144578478 524389288 /nfs/dbraw/zinc/38/92/88/524389288.db2.gz PDCAZLDWFRHUPD-GJZGRUSLSA-N 0 3 365.430 1.837 20 5 FDBDHN CCCCCNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173523314 524405839 /nfs/dbraw/zinc/40/58/39/524405839.db2.gz ICTOLDCSEWMWAY-MRXNPFEDSA-N 0 3 367.450 1.171 20 5 FDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150823662 524491345 /nfs/dbraw/zinc/49/13/45/524491345.db2.gz WOQZZALEQXTKPF-GFCCVEGCSA-N 0 3 357.432 1.708 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)COCc3ccco3)C2)nc1 ZINC000122282664 524498144 /nfs/dbraw/zinc/49/81/44/524498144.db2.gz IAXRQFUUHYXQEF-DZGCQCFKSA-N 0 3 362.386 1.647 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112922335 524598753 /nfs/dbraw/zinc/59/87/53/524598753.db2.gz FTFIGMQNLAGEFX-GFCCVEGCSA-N 0 3 367.425 1.320 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000122954905 524650750 /nfs/dbraw/zinc/65/07/50/524650750.db2.gz HJHHZGBICNFEJU-UHFFFAOYSA-N 0 3 361.402 1.507 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159381571 524656463 /nfs/dbraw/zinc/65/64/63/524656463.db2.gz AJEQRZODTGBAGS-INIZCTEOSA-N 0 3 362.430 1.518 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000123078071 524674698 /nfs/dbraw/zinc/67/46/98/524674698.db2.gz NLGJLBAKSZMKCA-UHFFFAOYSA-N 0 3 365.434 1.751 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000174665311 524680523 /nfs/dbraw/zinc/68/05/23/524680523.db2.gz DTURJWFAJTXZKL-LRDDRELGSA-N 0 3 357.374 1.084 20 5 FDBDHN CC[C@H]1CCCCN1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000113438183 524683322 /nfs/dbraw/zinc/68/33/22/524683322.db2.gz LLKQYXLGTUHNTJ-HNNXBMFYSA-N 0 3 362.430 1.705 20 5 FDBDHN Nc1c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000159583376 524702453 /nfs/dbraw/zinc/70/24/53/524702453.db2.gz CIIPGCXTUYLXJG-AWEZNQCLSA-N 0 3 362.430 1.894 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721546 524709083 /nfs/dbraw/zinc/70/90/83/524709083.db2.gz HDDTZPORWKHTFY-PXAZEXFGSA-N 0 3 373.413 1.852 20 5 FDBDHN Cc1c(Br)cc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000151878846 524714436 /nfs/dbraw/zinc/71/44/36/524714436.db2.gz SVYYTDZVOZDKRH-AWEZNQCLSA-N 0 3 374.235 1.708 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000123840952 524841247 /nfs/dbraw/zinc/84/12/47/524841247.db2.gz FWFISAYMOWPIDW-CYBMUJFWSA-N 0 3 350.419 1.513 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644108 524845764 /nfs/dbraw/zinc/84/57/64/524845764.db2.gz AXAWAASCHJVIMY-MRXNPFEDSA-N 0 3 357.414 1.881 20 5 FDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000160274888 524846756 /nfs/dbraw/zinc/84/67/56/524846756.db2.gz BJUWXIOKHLKYAZ-KRWDZBQOSA-N 0 3 373.413 1.357 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160607407 524926992 /nfs/dbraw/zinc/92/69/92/524926992.db2.gz LXXNHXAGZJUGKI-CYBMUJFWSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152710978 524976715 /nfs/dbraw/zinc/97/67/15/524976715.db2.gz HCEUMRYVZPXILY-ZDUSSCGKSA-N 0 3 360.208 1.400 20 5 FDBDHN C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000175776859 525004165 /nfs/dbraw/zinc/00/41/65/525004165.db2.gz NHFFRWXKZUIHHV-OAHLLOKOSA-N 0 3 363.462 1.620 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000126931061 525366120 /nfs/dbraw/zinc/36/61/20/525366120.db2.gz YPUGCOWICWFLEN-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104532183 525417888 /nfs/dbraw/zinc/41/78/88/525417888.db2.gz QCBPAJALGLYMED-AWEZNQCLSA-N 0 3 350.419 1.576 20 5 FDBDHN CCc1ccc([C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000131453701 525859536 /nfs/dbraw/zinc/85/95/36/525859536.db2.gz QAGCKZWZRGFSOA-KRWDZBQOSA-N 0 3 374.445 1.956 20 5 FDBDHN CC(C)(O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171155678 525875536 /nfs/dbraw/zinc/87/55/36/525875536.db2.gz PMMZKFHVODFRCP-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN CN(C)CCn1nnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000108120022 525935642 /nfs/dbraw/zinc/93/56/42/525935642.db2.gz SCPYFLUFXBDWIJ-UHFFFAOYSA-N 0 3 366.403 1.302 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000120041677 525942416 /nfs/dbraw/zinc/94/24/16/525942416.db2.gz MWKKRIAAGHTUBF-YOEHRIQHSA-N 0 3 357.414 1.818 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000171442334 525995128 /nfs/dbraw/zinc/99/51/28/525995128.db2.gz JTUWVUGUOVRFKI-MRXNPFEDSA-N 0 3 370.413 1.794 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000120457099 526070219 /nfs/dbraw/zinc/07/02/19/526070219.db2.gz DNUQOXKGFCEVRY-WBMJQRKESA-N 0 3 358.402 1.588 20 5 FDBDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190103 526086920 /nfs/dbraw/zinc/08/69/20/526086920.db2.gz PGMYPMBMPUQQTL-MRXNPFEDSA-N 0 3 373.409 1.826 20 5 FDBDHN O=C(NCCN1CCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000171880103 526164410 /nfs/dbraw/zinc/16/44/10/526164410.db2.gz CHSKTVXNDJEXPS-GFCCVEGCSA-N 0 3 366.443 1.473 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171908360 526180086 /nfs/dbraw/zinc/18/00/86/526180086.db2.gz FNUMWYYDUMASPJ-HNNXBMFYSA-N 0 3 350.419 1.847 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109984623 526212501 /nfs/dbraw/zinc/21/25/01/526212501.db2.gz VLDMXKPAXYDLDO-UHFFFAOYSA-N 0 3 356.382 1.793 20 5 FDBDHN Cc1ccc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000182844840 535873492 /nfs/dbraw/zinc/87/34/92/535873492.db2.gz VWDFSAZCUALBQZ-OAHLLOKOSA-N 0 3 361.402 1.399 20 5 FDBDHN Cc1ccc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000182844822 535873909 /nfs/dbraw/zinc/87/39/09/535873909.db2.gz VWDFSAZCUALBQZ-HNNXBMFYSA-N 0 3 361.402 1.399 20 5 FDBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](N2CCCC2)C1 ZINC000182997679 535901659 /nfs/dbraw/zinc/90/16/59/535901659.db2.gz LSLAMJLKFXGHIV-GUYCJALGSA-N 0 3 358.398 1.785 20 5 FDBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000183516856 535996011 /nfs/dbraw/zinc/99/60/11/535996011.db2.gz QZBJBPRAHYPYBN-AWEZNQCLSA-N 0 3 355.460 1.789 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1 ZINC000183712871 536033716 /nfs/dbraw/zinc/03/37/16/536033716.db2.gz YLAQPWJDTRWJAZ-MRXNPFEDSA-N 0 3 367.471 1.885 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000183712892 536034238 /nfs/dbraw/zinc/03/42/38/536034238.db2.gz YLAQPWJDTRWJAZ-INIZCTEOSA-N 0 3 367.471 1.885 20 5 FDBDHN CCN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000183966079 536073562 /nfs/dbraw/zinc/07/35/62/536073562.db2.gz OPAIPSZWZHACRH-UHFFFAOYSA-N 0 3 374.235 1.330 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000184079149 536092453 /nfs/dbraw/zinc/09/24/53/536092453.db2.gz AQFNASNFJILPAD-GFCCVEGCSA-N 0 3 360.418 1.227 20 5 FDBDHN COc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184172271 536107496 /nfs/dbraw/zinc/10/74/96/536107496.db2.gz XLAWDVNCQJLQOH-UHFFFAOYSA-N 0 3 364.446 1.749 20 5 FDBDHN COc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000184231768 536120020 /nfs/dbraw/zinc/12/00/20/536120020.db2.gz WIBCMDNWPYTNNU-ZDUSSCGKSA-N 0 3 353.394 1.897 20 5 FDBDHN CCc1n[n-]c(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)c1[N+](=O)[O-] ZINC000185739650 536216416 /nfs/dbraw/zinc/21/64/16/536216416.db2.gz KLEDNIUCEXRGMI-GFCCVEGCSA-N 0 3 365.434 1.644 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187736174 536273279 /nfs/dbraw/zinc/27/32/79/536273279.db2.gz IIPWZOWAKUVOIK-CYBMUJFWSA-N 0 3 350.419 1.230 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267311101 536967917 /nfs/dbraw/zinc/96/79/17/536967917.db2.gz LVIVMZUPXZBNTQ-MRXNPFEDSA-N 0 3 366.443 1.395 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246696463 537005911 /nfs/dbraw/zinc/00/59/11/537005911.db2.gz ZDFRODVZQDYDQA-JSGCOSHPSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189382448 537037386 /nfs/dbraw/zinc/03/73/86/537037386.db2.gz IZTNSYDVKPCCHJ-CYBMUJFWSA-N 0 3 350.419 1.230 20 5 FDBDHN CCOC(=O)C(C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1nc(C)cs1 ZINC000263640657 537049076 /nfs/dbraw/zinc/04/90/76/537049076.db2.gz AXIOQPFMCAOQNZ-GFCCVEGCSA-N 0 3 365.367 1.437 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1[N+](=O)[O-] ZINC000189971471 537123329 /nfs/dbraw/zinc/12/33/29/537123329.db2.gz KFENNYSXGGWVOU-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247673508 537144821 /nfs/dbraw/zinc/14/48/21/537144821.db2.gz ZXDPVPPYSQAIMP-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190168965 537149186 /nfs/dbraw/zinc/14/91/86/537149186.db2.gz ABPYBXIRPNMPSN-ZDUSSCGKSA-N 0 3 365.434 1.462 20 5 FDBDHN CNS(=O)(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000190313700 537163875 /nfs/dbraw/zinc/16/38/75/537163875.db2.gz BHZDLDJCCIHUHQ-UHFFFAOYSA-N 0 3 355.441 1.962 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248527607 537189878 /nfs/dbraw/zinc/18/98/78/537189878.db2.gz DEOQDGJRTNEZNP-DOTOQJQBSA-N 0 3 367.471 1.883 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000191839123 537213130 /nfs/dbraw/zinc/21/31/30/537213130.db2.gz JWGJYMHFAIFLEW-BETUJISGSA-N 0 3 353.423 1.430 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192230234 537222069 /nfs/dbraw/zinc/22/20/69/537222069.db2.gz BAECEADHRGZWEV-OAHLLOKOSA-N 0 3 373.413 1.349 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000249319501 537233964 /nfs/dbraw/zinc/23/39/64/537233964.db2.gz FXDRSXSLNHQOJR-GDBMZVCRSA-N 0 3 367.446 1.112 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000290174020 537278604 /nfs/dbraw/zinc/27/86/04/537278604.db2.gz NABKHRPEGGRDBR-LBPRGKRZSA-N 0 3 361.489 1.947 20 5 FDBDHN C[C@@H]1CN(CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278440675 537328579 /nfs/dbraw/zinc/32/85/79/537328579.db2.gz HNAYKEKFMMHYLZ-OAHLLOKOSA-N 0 3 364.446 1.648 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000273046977 537388577 /nfs/dbraw/zinc/38/85/77/537388577.db2.gz IUIZWAICPRVDFY-SWLSCSKDSA-N 0 3 360.414 1.232 20 5 FDBDHN COCCNCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237288993 537621187 /nfs/dbraw/zinc/62/11/87/537621187.db2.gz FSCSTYAXXOTOEO-UHFFFAOYSA-N 0 3 353.422 1.507 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292372094 537730922 /nfs/dbraw/zinc/73/09/22/537730922.db2.gz RBFSXGGFLYSRMO-SCLBCKFNSA-N 0 3 360.414 1.267 20 5 FDBDHN CN(C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000416301657 537791472 /nfs/dbraw/zinc/79/14/72/537791472.db2.gz MGNBXMAADSZDFJ-LLVKDONJSA-N 0 3 366.443 1.471 20 5 FDBDHN Cc1cc(OCC(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366674473 537818086 /nfs/dbraw/zinc/81/80/86/537818086.db2.gz RXKBOKJJYUEYHJ-HNNXBMFYSA-N 0 3 363.414 1.652 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000411986397 537923689 /nfs/dbraw/zinc/92/36/89/537923689.db2.gz RCZMOECUJYSSIT-CRAIPNDOSA-N 0 3 359.430 1.359 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419157878 537963688 /nfs/dbraw/zinc/96/36/88/537963688.db2.gz WXHGIWRDGSKVMQ-GMXVVIOVSA-N 0 3 364.402 1.001 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000444161135 538123430 /nfs/dbraw/zinc/12/34/30/538123430.db2.gz YREIGRIISSKYHI-YOEHRIQHSA-N 0 3 351.403 1.752 20 5 FDBDHN C[C@H]1CN(CCCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000439151273 538156573 /nfs/dbraw/zinc/15/65/73/538156573.db2.gz DXFVNJMPCFPQHU-STQMWFEESA-N 0 3 350.419 1.995 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000560508246 545529645 /nfs/dbraw/zinc/52/96/45/545529645.db2.gz YLNMBYRTAYNSSQ-LJQANCHMSA-N 0 3 374.441 1.382 20 5 FDBDHN Cc1nc(NCCCN2CCN(C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000450239704 538430314 /nfs/dbraw/zinc/43/03/14/538430314.db2.gz FGJPAICUCBBBBF-SFHVURJKSA-N 0 3 370.457 2.484 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000482990899 538660848 /nfs/dbraw/zinc/66/08/48/538660848.db2.gz WPKKYGJHXQUIDM-JOYOIKCWSA-N 0 3 370.207 1.661 20 5 FDBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)C2CC3CC(C2)CC1C3 ZINC000459783115 538698616 /nfs/dbraw/zinc/69/86/16/538698616.db2.gz VHZLVEFSUHXJJP-UHFFFAOYSA-N 0 3 360.414 1.026 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000488211792 538725755 /nfs/dbraw/zinc/72/57/55/538725755.db2.gz WBHKBRTYNXVVPM-CYBMUJFWSA-N 0 3 365.386 1.146 20 5 FDBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000484648012 538794398 /nfs/dbraw/zinc/79/43/98/538794398.db2.gz ZLVPJMMHSNHINH-SGIREYDYSA-N 0 3 367.402 1.714 20 5 FDBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000484648010 538794720 /nfs/dbraw/zinc/79/47/20/538794720.db2.gz ZLVPJMMHSNHINH-DJSGYFEHSA-N 0 3 367.402 1.714 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474346077 538834430 /nfs/dbraw/zinc/83/44/30/538834430.db2.gz PGYCRGKSFIYJIM-WFASDCNBSA-N 0 3 363.414 1.719 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561419870 545841545 /nfs/dbraw/zinc/84/15/45/545841545.db2.gz TUJSMIMERXWYIM-VXGBXAGGSA-N 0 3 354.432 1.305 20 5 FDBDHN CCN1CCC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000563511862 546564286 /nfs/dbraw/zinc/56/42/86/546564286.db2.gz CQXJJMAMIPURAT-OAHLLOKOSA-N 0 3 362.430 1.963 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000563618401 546617915 /nfs/dbraw/zinc/61/79/15/546617915.db2.gz VFNIYDDZYWUTBL-VIBAHUMZSA-N 0 3 366.414 1.651 20 5 FDBDHN COCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCN(C)CC1 ZINC000563758429 546673645 /nfs/dbraw/zinc/67/36/45/546673645.db2.gz BLVMKGLSWGWMQK-UHFFFAOYSA-N 0 3 367.450 1.449 20 5 FDBDHN COc1cc2c(cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)O[C@@H](C)C2 ZINC000564852520 547068315 /nfs/dbraw/zinc/06/83/15/547068315.db2.gz MOMCIKDEFSAUSQ-XHDPSFHLSA-N 0 3 362.386 1.274 20 5 FDBDHN C[C@]1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)OCCc2sccc21 ZINC000564869856 547075635 /nfs/dbraw/zinc/07/56/35/547075635.db2.gz KXDUFXFCPVGZKX-SWLSCSKDSA-N 0 3 352.416 1.291 20 5 FDBDHN [NH3+]C1CCC(OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000566169714 547637146 /nfs/dbraw/zinc/63/71/46/547637146.db2.gz RQHATLILKWIPED-UHFFFAOYSA-N 0 3 359.386 2.210 20 5 FDBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000566221107 547665745 /nfs/dbraw/zinc/66/57/45/547665745.db2.gz XMKFBDCELUTOGL-HTQZYQBOSA-N 0 3 366.237 1.761 20 5 FDBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000566221113 547665805 /nfs/dbraw/zinc/66/58/05/547665805.db2.gz XMKFBDCELUTOGL-SFYZADRCSA-N 0 3 366.237 1.761 20 5 FDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000567858537 548293370 /nfs/dbraw/zinc/29/33/70/548293370.db2.gz BYBBCNFTDGZHDH-GFCCVEGCSA-N 0 3 353.425 1.903 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000570692069 549377662 /nfs/dbraw/zinc/37/76/62/549377662.db2.gz FTXNKBZENCSRBL-INIZCTEOSA-N 0 3 351.403 1.929 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)CC2CCCC2)c1 ZINC000571790438 549764629 /nfs/dbraw/zinc/76/46/29/549764629.db2.gz NSZQWLWJIRKVCW-HNNXBMFYSA-N 0 3 371.459 1.404 20 5 FDBDHN O=C1CCCN1Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000573712635 550199299 /nfs/dbraw/zinc/19/92/99/550199299.db2.gz CNQZFFKFSISTCD-QGZVFWFLSA-N 0 3 373.413 1.064 20 5 FDBDHN CC(=O)Nc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000574271071 550286408 /nfs/dbraw/zinc/28/64/08/550286408.db2.gz PKMBJAMLRGGZAA-HNNXBMFYSA-N 0 3 360.370 1.478 20 5 FDBDHN COc1ccc(CC(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000574891918 550387643 /nfs/dbraw/zinc/38/76/43/550387643.db2.gz ZXMGYIWGNYADLG-CQSZACIVSA-N 0 3 365.430 1.763 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000575069032 550420723 /nfs/dbraw/zinc/42/07/23/550420723.db2.gz LPBNVLKVSQNDOV-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN N[C@@H]1C[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935563 550492871 /nfs/dbraw/zinc/49/28/71/550492871.db2.gz YUSLBEOZHONXST-GOEBONIOSA-N 0 3 356.382 1.599 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000576479242 550553815 /nfs/dbraw/zinc/55/38/15/550553815.db2.gz CCHLMPXNLBTWTF-IUODEOHRSA-N 0 3 356.382 1.599 20 5 FDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000577297740 550642116 /nfs/dbraw/zinc/64/21/16/550642116.db2.gz DKMWTPOIDKCYNL-JCGIZDLHSA-N 0 3 374.441 1.794 20 5 FDBDHN O=C(CCNCc1ccc2c(c1)C(=O)NCC2)Nc1ccccc1[N+](=O)[O-] ZINC000577624294 550677037 /nfs/dbraw/zinc/67/70/37/550677037.db2.gz WRDMPMYPJVYPID-UHFFFAOYSA-N 0 3 368.393 1.999 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000577744653 550690397 /nfs/dbraw/zinc/69/03/97/550690397.db2.gz RZBGLBFKWFUPNR-INIZCTEOSA-N 0 3 353.806 1.743 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000578368435 550757238 /nfs/dbraw/zinc/75/72/38/550757238.db2.gz QDMYYQJCOPYSEB-BBRMVZONSA-N 0 3 353.444 1.986 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000580645579 551003996 /nfs/dbraw/zinc/00/39/96/551003996.db2.gz MQFRSWGODRRZMQ-AWEZNQCLSA-N 0 3 358.402 1.739 20 5 FDBDHN CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000581021474 551044004 /nfs/dbraw/zinc/04/40/04/551044004.db2.gz SZKOSTCLZFOEOK-NEPJUHHUSA-N 0 3 351.432 1.224 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000581396692 551084299 /nfs/dbraw/zinc/08/42/99/551084299.db2.gz PRFJOGXNXQZEEO-OAHLLOKOSA-N 0 3 365.430 1.635 20 5 FDBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)OC(C)(C)C ZINC000581486541 551094452 /nfs/dbraw/zinc/09/44/52/551094452.db2.gz RAOCXTGLKBTIBJ-VHDGCEQUSA-N 0 3 368.434 1.452 20 5 FDBDHN CSC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000581494200 551095527 /nfs/dbraw/zinc/09/55/27/551095527.db2.gz ATJRYJNEGHXBCI-UHFFFAOYSA-N 0 3 359.473 1.701 20 5 FDBDHN Cc1c(Br)cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000583331959 551336460 /nfs/dbraw/zinc/33/64/60/551336460.db2.gz SKPFROXWRKSSKW-STQMWFEESA-N 0 3 372.219 1.413 20 5 FDBDHN CSC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN(C)CC1 ZINC000583474515 551356621 /nfs/dbraw/zinc/35/66/21/551356621.db2.gz GRBOVRQVGYTMBB-UHFFFAOYSA-N 0 3 367.427 1.881 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000583494800 551360716 /nfs/dbraw/zinc/36/07/16/551360716.db2.gz GJXBKVAMMATZIA-UKRRQHHQSA-N 0 3 350.350 1.795 20 5 FDBDHN O=C1CCCN1Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583688284 551387465 /nfs/dbraw/zinc/38/74/65/551387465.db2.gz BGSTUFPNEJNOJQ-QGZVFWFLSA-N 0 3 373.413 1.064 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000588002850 551639476 /nfs/dbraw/zinc/63/94/76/551639476.db2.gz VZZMDAJVYZHABS-GFCCVEGCSA-N 0 3 350.375 1.442 20 5 FDBDHN Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000589689962 551742294 /nfs/dbraw/zinc/74/22/94/551742294.db2.gz KVZDXFXQJPLLKV-CQSZACIVSA-N 0 3 350.394 1.961 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000590399069 551780317 /nfs/dbraw/zinc/78/03/17/551780317.db2.gz DZCYWDFHDDTJHC-UHFFFAOYSA-N 0 3 369.425 1.462 20 5 FDBDHN CC[C@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590646167 551801463 /nfs/dbraw/zinc/80/14/63/551801463.db2.gz XZMFKCWSFQBJHJ-STQMWFEESA-N 0 3 357.432 1.420 20 5 FDBDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000591966022 551921188 /nfs/dbraw/zinc/92/11/88/551921188.db2.gz IPIFNOCGSNTYMT-STQMWFEESA-N 0 3 363.418 1.417 20 5 FDBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592490418 552001305 /nfs/dbraw/zinc/00/13/05/552001305.db2.gz COTUASIFMHTDNS-CYBMUJFWSA-N 0 3 370.793 1.024 20 5 FDBDHN COc1cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000592525578 552005089 /nfs/dbraw/zinc/00/50/89/552005089.db2.gz RTCZBEABVFQZLP-LBPRGKRZSA-N 0 3 366.418 1.164 20 5 FDBDHN C[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000592870907 552037091 /nfs/dbraw/zinc/03/70/91/552037091.db2.gz HDISHAHATQWOAK-NWDGAFQWSA-N 0 3 366.393 1.416 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592872882 552037464 /nfs/dbraw/zinc/03/74/64/552037464.db2.gz MQHAMCIXOGDQEO-ZDUSSCGKSA-N 0 3 362.430 1.451 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Cn2cnnc2)CC1 ZINC000593077361 552058960 /nfs/dbraw/zinc/05/89/60/552058960.db2.gz JXZNINXTCLAWFI-HNNXBMFYSA-N 0 3 361.402 1.338 20 5 FDBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593090479 552060909 /nfs/dbraw/zinc/06/09/09/552060909.db2.gz XZVCDPKXBHNNLB-FUHWJXTLSA-N 0 3 359.430 1.011 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593234282 552075311 /nfs/dbraw/zinc/07/53/11/552075311.db2.gz BNSUHWNPQXGHEB-UHFFFAOYSA-N 0 3 362.430 1.366 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593451371 552110234 /nfs/dbraw/zinc/11/02/34/552110234.db2.gz YIPASAHPRCJLJF-OAHLLOKOSA-N 0 3 353.394 1.846 20 5 FDBDHN COC[C@@H](CC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593596474 552147230 /nfs/dbraw/zinc/14/72/30/552147230.db2.gz BTUYGSJNVLMWJX-CYBMUJFWSA-N 0 3 373.475 1.914 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593615212 552152522 /nfs/dbraw/zinc/15/25/22/552152522.db2.gz NUFGQIXHOSFJLF-UHFFFAOYSA-N 0 3 366.437 1.809 20 5 FDBDHN NS(=O)(=O)c1cc(N[C@@H]2CCCN3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594599288 552339190 /nfs/dbraw/zinc/33/91/90/552339190.db2.gz ISNSVVIEEPKPHU-HUUCEWRRSA-N 0 3 354.432 1.671 20 5 FDBDHN O=C(c1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000594603954 552339899 /nfs/dbraw/zinc/33/98/99/552339899.db2.gz PMRBIGZAFGYLDR-LSDHHAIUSA-N 0 3 360.414 1.086 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000595576231 552586950 /nfs/dbraw/zinc/58/69/50/552586950.db2.gz WLWSBHBHUXJTFM-KRWDZBQOSA-N 0 3 362.430 1.690 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595631754 552595457 /nfs/dbraw/zinc/59/54/57/552595457.db2.gz KXFWUJGPXKJNKI-KFWWJZLASA-N 0 3 365.430 1.997 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595631156 552595542 /nfs/dbraw/zinc/59/55/42/552595542.db2.gz GDVGLYRJLNENNL-KCPJHIHWSA-N 0 3 351.403 1.349 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595747455 552610605 /nfs/dbraw/zinc/61/06/05/552610605.db2.gz JPJIGGZINWLFIK-RYQLBKOJSA-N 0 3 360.414 1.250 20 5 FDBDHN O=C(c1cc2c(s1)CCNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595914617 552632432 /nfs/dbraw/zinc/63/24/32/552632432.db2.gz DZEYFKFUCFZPCL-UHFFFAOYSA-N 0 3 373.438 1.659 20 5 FDBDHN CN(CCN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000596113699 552656592 /nfs/dbraw/zinc/65/65/92/552656592.db2.gz XCPKDUGLDDRVIQ-UHFFFAOYSA-N 0 3 370.457 1.826 20 5 FDBDHN O=c1[nH]c(N2CCC(N3CCCOCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000596267890 552669903 /nfs/dbraw/zinc/66/99/03/552669903.db2.gz BMWCYAMRXYZOSV-UHFFFAOYSA-N 0 3 373.413 1.935 20 5 FDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596325608 552674376 /nfs/dbraw/zinc/67/43/76/552674376.db2.gz CBKFWASXHQHPQM-NSHDSACASA-N 0 3 356.448 1.788 20 5 FDBDHN NC(=O)c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424164 552677927 /nfs/dbraw/zinc/67/79/27/552677927.db2.gz QHCKPLJIPAMBDO-MRXNPFEDSA-N 0 3 370.409 1.872 20 5 FDBDHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000596543761 552687742 /nfs/dbraw/zinc/68/77/42/552687742.db2.gz TYTJFFYRIZLYOR-CYBMUJFWSA-N 0 3 365.434 1.317 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596625549 552694906 /nfs/dbraw/zinc/69/49/06/552694906.db2.gz VIWUUJYGOUMWOH-CQSZACIVSA-N 0 3 364.402 1.978 20 5 FDBDHN Nc1c(NC(=O)NC[C@@H]2CCCCN2CCO)cc(Cl)cc1[N+](=O)[O-] ZINC000597092541 552745768 /nfs/dbraw/zinc/74/57/68/552745768.db2.gz NIPYANJZERJSMO-NSHDSACASA-N 0 3 371.825 1.799 20 5 FDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597694064 552823138 /nfs/dbraw/zinc/82/31/38/552823138.db2.gz IROBTIPCDTYFFI-HZPDHXFCSA-N 0 3 369.368 1.737 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000597696700 552823630 /nfs/dbraw/zinc/82/36/30/552823630.db2.gz XHEUNCFIFBBLTI-UHFFFAOYSA-N 0 3 357.414 1.396 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597857385 552841360 /nfs/dbraw/zinc/84/13/60/552841360.db2.gz GEMWIBVBDOVWJZ-CQSZACIVSA-N 0 3 362.430 1.622 20 5 FDBDHN CCCN1CC[C@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000598341665 552887287 /nfs/dbraw/zinc/88/72/87/552887287.db2.gz FOYNLCVOMLXPRN-ZDUSSCGKSA-N 0 3 358.402 1.698 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000598578188 552910956 /nfs/dbraw/zinc/91/09/56/552910956.db2.gz ZSAWRKQTVNQLHX-LBPRGKRZSA-N 0 3 366.443 1.242 20 5 FDBDHN CC(C)N1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598585421 552911707 /nfs/dbraw/zinc/91/17/07/552911707.db2.gz CYOLLIJUTKPHNY-UHFFFAOYSA-N 0 3 350.423 1.506 20 5 FDBDHN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@H](N2CCCC2)C1 ZINC000598590189 552912278 /nfs/dbraw/zinc/91/22/78/552912278.db2.gz LWUWAHCQTNBIIF-AWEZNQCLSA-N 0 3 362.434 1.286 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598624811 552917335 /nfs/dbraw/zinc/91/73/35/552917335.db2.gz HNADOXMVWISEQU-ZIAGYGMSSA-N 0 3 362.434 1.284 20 5 FDBDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598831210 552935824 /nfs/dbraw/zinc/93/58/24/552935824.db2.gz IJNCNGLSTJJZRW-GHMZBOCLSA-N 0 3 363.292 1.937 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000598904391 552942634 /nfs/dbraw/zinc/94/26/34/552942634.db2.gz WXIKGZHFISMJFX-QGZVFWFLSA-N 0 3 361.402 1.271 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000599504713 553075867 /nfs/dbraw/zinc/07/58/67/553075867.db2.gz FBPCEHBNIKIHJU-HNNXBMFYSA-N 0 3 364.377 1.835 20 5 FDBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000599632079 553108759 /nfs/dbraw/zinc/10/87/59/553108759.db2.gz UGJXAJFXKMAZCP-VXMWWYGOSA-N 0 3 351.428 1.909 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939051 553179017 /nfs/dbraw/zinc/17/90/17/553179017.db2.gz GEQMZLTZXQQCRM-HUUCEWRRSA-N 0 3 363.414 1.663 20 5 FDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(C)CC1 ZINC000599986213 553193693 /nfs/dbraw/zinc/19/36/93/553193693.db2.gz RFRRYBVXTZOHOF-UHFFFAOYSA-N 0 3 351.403 1.925 20 5 FDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600473109 553273683 /nfs/dbraw/zinc/27/36/83/553273683.db2.gz QSPIJWGTBJXJLE-INIZCTEOSA-N 0 3 370.413 1.922 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601184800 553357635 /nfs/dbraw/zinc/35/76/35/553357635.db2.gz OIBCIAHEBFWYRO-QWHCGFSZSA-N 0 3 368.459 1.233 20 5 FDBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000601849630 553480896 /nfs/dbraw/zinc/48/08/96/553480896.db2.gz IIXOWNMJUUUXBV-MRXNPFEDSA-N 0 3 370.409 1.456 20 5 FDBDHN Cn1cc(CN2CCC(C)(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602616509 553612756 /nfs/dbraw/zinc/61/27/56/553612756.db2.gz VHTYMFLBTVDIGM-UHFFFAOYSA-N 0 3 350.467 1.178 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000603052696 553701990 /nfs/dbraw/zinc/70/19/90/553701990.db2.gz MLKPYWISQHDVJC-GFCCVEGCSA-N 0 3 372.219 1.544 20 5 FDBDHN CN(C)CCn1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000604511235 553882635 /nfs/dbraw/zinc/88/26/35/553882635.db2.gz JLURZVXXEJNTIK-UHFFFAOYSA-N 0 3 374.401 1.112 20 5 FDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000604573509 553890880 /nfs/dbraw/zinc/89/08/80/553890880.db2.gz OMCBHMUFIHVURI-OAHLLOKOSA-N 0 3 362.430 1.720 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609199314 554348846 /nfs/dbraw/zinc/34/88/46/554348846.db2.gz SNPWKRGGYUEJKZ-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609405202 554374696 /nfs/dbraw/zinc/37/46/96/554374696.db2.gz PTWYWUPEYPQPQG-LBPRGKRZSA-N 0 3 362.386 1.142 20 5 FDBDHN CN(C)CCOC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609583035 554397556 /nfs/dbraw/zinc/39/75/56/554397556.db2.gz JHURONHSUSKIBL-UHFFFAOYSA-N 0 3 365.386 1.506 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612449051 554783507 /nfs/dbraw/zinc/78/35/07/554783507.db2.gz QQLRPZXAYOKQPI-HNNXBMFYSA-N 0 3 370.413 1.457 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000616175477 555278576 /nfs/dbraw/zinc/27/85/76/555278576.db2.gz BLBZQTXRPQXOTH-CHWSQXEVSA-N 0 3 371.415 1.142 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619255141 555745594 /nfs/dbraw/zinc/74/55/94/555745594.db2.gz VCBCWJSVYHGXEE-INIZCTEOSA-N 0 3 355.822 1.706 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000619477672 555783762 /nfs/dbraw/zinc/78/37/62/555783762.db2.gz XSJOJFZQNSXXID-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000619486329 555786382 /nfs/dbraw/zinc/78/63/82/555786382.db2.gz KBCBSMAZVPXSCA-CYBMUJFWSA-N 0 3 350.423 1.038 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000619491649 555787867 /nfs/dbraw/zinc/78/78/67/555787867.db2.gz FNFCXHOWVRHJDD-CHWSQXEVSA-N 0 3 369.443 1.708 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000619583449 555803994 /nfs/dbraw/zinc/80/39/94/555803994.db2.gz JXHMFIPBEOHTBP-HNNXBMFYSA-N 0 3 365.430 1.899 20 5 FDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291631508 568232592 /nfs/dbraw/zinc/23/25/92/568232592.db2.gz DITNUFOJHZTUET-HNNXBMFYSA-N 0 3 357.407 1.759 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000291709868 568278435 /nfs/dbraw/zinc/27/84/35/568278435.db2.gz GGWFSSVERAINHF-YOEHRIQHSA-N 0 3 357.414 1.961 20 5 FDBDHN CCC[NH+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736482308 599266490 /nfs/dbraw/zinc/26/64/90/599266490.db2.gz WFJIEFFKBUIHRJ-UHFFFAOYSA-N 0 3 368.401 1.855 20 5 FDBDHN COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821813923 599434192 /nfs/dbraw/zinc/43/41/92/599434192.db2.gz PENQUAKBQOQIRS-UHFFFAOYSA-N 0 3 370.369 1.952 20 5 FDBDHN COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000821813923 599434195 /nfs/dbraw/zinc/43/41/95/599434195.db2.gz PENQUAKBQOQIRS-UHFFFAOYSA-N 0 3 370.369 1.952 20 5 FDBDHN CC(=O)NCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272978151 674494235 /nfs/dbraw/zinc/49/42/35/674494235.db2.gz XGIPKMPCPJHWRV-OAHLLOKOSA-N 0 3 351.403 1.183 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000273434938 674537063 /nfs/dbraw/zinc/53/70/63/674537063.db2.gz LUEPYNCDMKDOQJ-BZUAXINKSA-N 0 3 366.439 1.916 20 5 FDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824605305 608482305 /nfs/dbraw/zinc/48/23/05/608482305.db2.gz HLBXYVCFEUEUPG-NSHDSACASA-N 0 3 355.358 1.287 20 5 FDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824605305 608482306 /nfs/dbraw/zinc/48/23/06/608482306.db2.gz HLBXYVCFEUEUPG-NSHDSACASA-N 0 3 355.358 1.287 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000273650844 674558827 /nfs/dbraw/zinc/55/88/27/674558827.db2.gz ZBAKFVUHHJEDFC-LBPRGKRZSA-N 0 3 371.415 1.096 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176235561 672112287 /nfs/dbraw/zinc/11/22/87/672112287.db2.gz GOTIGENSFZWTPZ-CYBMUJFWSA-N 0 3 352.410 1.798 20 5 FDBDHN Cc1cc(F)cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176821207 672117630 /nfs/dbraw/zinc/11/76/30/672117630.db2.gz RNMKKRRXMXOZPH-GFCCVEGCSA-N 0 3 352.410 1.656 20 5 FDBDHN COc1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000194909755 672390396 /nfs/dbraw/zinc/39/03/96/672390396.db2.gz KGFKOTYBQURPBU-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000278864614 675209797 /nfs/dbraw/zinc/20/97/97/675209797.db2.gz YRTIWEDNKYHNPY-NSHDSACASA-N 0 3 351.432 1.994 20 5 FDBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCNC1=O ZINC000298431937 676462375 /nfs/dbraw/zinc/46/23/75/676462375.db2.gz GNIMLLPAAMVSLI-CYBMUJFWSA-N 0 3 350.375 1.142 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361033430 676881982 /nfs/dbraw/zinc/88/19/82/676881982.db2.gz SKAQYAMVKLNWIY-UONOGXRCSA-N 0 3 353.806 1.770 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364541895 677027431 /nfs/dbraw/zinc/02/74/31/677027431.db2.gz FFFLYDHHQSUTJQ-GFCCVEGCSA-N 0 3 352.391 1.524 20 5 FDBDHN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000367045313 677482001 /nfs/dbraw/zinc/48/20/01/677482001.db2.gz KPPJTOZABKSUAV-TZMCWYRMSA-N 0 3 352.460 1.754 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)C[NH2+]2)c(C(F)(F)F)c1 ZINC000370731472 677609953 /nfs/dbraw/zinc/60/99/53/677609953.db2.gz XCOOLHTWZOCOEW-YUMQZZPRSA-N 0 3 371.312 1.592 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422976626 680769587 /nfs/dbraw/zinc/76/95/87/680769587.db2.gz DISOOLUWTCSWBU-NSHDSACASA-N 0 3 365.415 1.031 20 5 FDBDHN N[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCC1 ZINC000423049820 680774218 /nfs/dbraw/zinc/77/42/18/680774218.db2.gz XWVVBSXGWSXMEK-CYBMUJFWSA-N 0 3 352.416 1.068 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377510143 678550942 /nfs/dbraw/zinc/55/09/42/678550942.db2.gz DWYDKHBWFWDQRK-AAEUAGOBSA-N 0 3 353.350 1.092 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CN3CCC2CC3)c1F ZINC000413425769 679266528 /nfs/dbraw/zinc/26/65/28/679266528.db2.gz IOODRXYCRYZCCG-AWEZNQCLSA-N 0 3 351.378 1.838 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CN3CCC2CC3)c1F ZINC000413425770 679266557 /nfs/dbraw/zinc/26/65/57/679266557.db2.gz IOODRXYCRYZCCG-CQSZACIVSA-N 0 3 351.378 1.838 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCCN1CCO ZINC000452796176 683120484 /nfs/dbraw/zinc/12/04/84/683120484.db2.gz KKOSKPOCDKUTOC-LLVKDONJSA-N 0 3 357.357 1.379 20 5 FDBDHN CO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453198132 683154998 /nfs/dbraw/zinc/15/49/98/683154998.db2.gz VDRDSEBVDUQNMT-LSDHHAIUSA-N 0 3 354.428 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CCc1ccc([C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000548711370 542760429 /nfs/dbraw/zinc/76/04/29/542760429.db2.gz GCTDNTWMCVNECC-OAHLLOKOSA-N 0 3 357.414 2.167 20 5 FDBDHN CN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000552067292 543414176 /nfs/dbraw/zinc/41/41/76/543414176.db2.gz FUTUSMCNDZIJLL-IXDOHACOSA-N 0 3 367.471 1.831 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000552082783 543416397 /nfs/dbraw/zinc/41/63/97/543416397.db2.gz CGRGSHBJCAINGI-JTQLQIEISA-N 0 3 354.432 1.113 20 5 FDBDHN Cc1sc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000552700388 543504065 /nfs/dbraw/zinc/50/40/65/543504065.db2.gz HKUTVNYENKUZFF-UHFFFAOYSA-N 0 3 368.459 1.687 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067301187 172008484 /nfs/dbraw/zinc/00/84/84/172008484.db2.gz DQGLEDMSRRNHIB-UHFFFAOYSA-N 0 3 358.402 1.589 20 5 FDBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC000067274342 172008890 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368.459 1.090 20 5 FDBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090519807 172265564 /nfs/dbraw/zinc/26/55/64/172265564.db2.gz YRCBZTYULDBQIA-XHSDSOJGSA-N 0 3 364.446 1.330 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000090549975 172266834 /nfs/dbraw/zinc/26/68/34/172266834.db2.gz BNAGOCILFPCACK-CQSZACIVSA-N 0 3 368.397 1.679 20 5 FDBDHN COc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093817661 172320974 /nfs/dbraw/zinc/32/09/74/172320974.db2.gz NRPLYTHPXYCRPE-AWEZNQCLSA-N 0 3 365.430 1.766 20 5 FDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CN3CCOCC3)C2)c2c(c1)COCO2 ZINC000129579905 173144384 /nfs/dbraw/zinc/14/43/84/173144384.db2.gz WHCMKAYCZRBDRL-AWEZNQCLSA-N 0 3 363.414 1.615 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134150764 173319262 /nfs/dbraw/zinc/31/92/62/173319262.db2.gz MDOLVXJVVSTDOH-LLVKDONJSA-N 0 3 368.821 1.987 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134279661 173322224 /nfs/dbraw/zinc/32/22/24/173322224.db2.gz JQSZSEBIFHZADT-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000136187030 173357799 /nfs/dbraw/zinc/35/77/99/173357799.db2.gz BTRYZNAWWSIQAA-QFBILLFUSA-N 0 3 358.394 1.758 20 5 FDBDHN Cc1nn(C)c(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000176674319 174082283 /nfs/dbraw/zinc/08/22/83/174082283.db2.gz BKYKOKNGKWHATJ-UHFFFAOYSA-N 0 3 353.423 1.256 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176721098 174085149 /nfs/dbraw/zinc/08/51/49/174085149.db2.gz DWNDGKZGTCVDDI-HOCLYGCPSA-N 0 3 357.414 1.961 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000176720599 174085156 /nfs/dbraw/zinc/08/51/56/174085156.db2.gz ITIWCZONIKPLRX-ZFWWWQNUSA-N 0 3 350.419 1.936 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000177322660 174121829 /nfs/dbraw/zinc/12/18/29/174121829.db2.gz FTCQVZTYWJYOJE-UHFFFAOYSA-N 0 3 366.393 1.264 20 5 FDBDHN CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000180132713 258363207 /nfs/dbraw/zinc/36/32/07/258363207.db2.gz BQVSEMWOFKJMJT-YJBOKZPZSA-N 0 3 356.382 1.318 20 5 FDBDHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000174104462 258319252 /nfs/dbraw/zinc/31/92/52/258319252.db2.gz SGHIIEJDZVYRNX-LSDHHAIUSA-N 0 3 363.462 1.839 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000184348821 258381264 /nfs/dbraw/zinc/38/12/64/258381264.db2.gz QTMCETIVEYLIBZ-AWEZNQCLSA-N 0 3 371.441 1.899 20 5 FDBDHN CCN1CC[C@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000555591113 543981998 /nfs/dbraw/zinc/98/19/98/543981998.db2.gz SKBAEEARYPJFIL-ZWKOTPCHSA-N 0 3 374.441 1.279 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000559238730 544611052 /nfs/dbraw/zinc/61/10/52/544611052.db2.gz KAVBRRZILUBFJH-OAHLLOKOSA-N 0 3 360.366 1.896 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000559931764 544845888 /nfs/dbraw/zinc/84/58/88/544845888.db2.gz YEJBOSRTSVWHDJ-UHFFFAOYSA-N 0 3 368.384 1.613 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000560325191 544956079 /nfs/dbraw/zinc/95/60/79/544956079.db2.gz MVRHPFXHBPMJSU-AWEZNQCLSA-N 0 3 351.403 1.109 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C[C@H](C)O1 ZINC000332483104 259269854 /nfs/dbraw/zinc/26/98/54/259269854.db2.gz CDNHEDGUSCSYSC-BETUJISGSA-N 0 3 365.434 1.669 20 5 FDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cncnc2)cc1 ZINC000361029300 259447767 /nfs/dbraw/zinc/44/77/67/259447767.db2.gz JZAAQKASZNJQAI-ACJLOTCBSA-N 0 3 368.397 1.960 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000363396501 259587204 /nfs/dbraw/zinc/58/72/04/259587204.db2.gz SYCGEAJXCMIAOP-CYBMUJFWSA-N 0 3 368.459 1.697 20 5 FDBDHN O=[N+]([O-])c1ccc(F)cc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365107473 259813378 /nfs/dbraw/zinc/81/33/78/259813378.db2.gz HFOHGEAAJUXXOG-CYBMUJFWSA-N 0 3 357.407 1.479 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000367206503 260009643 /nfs/dbraw/zinc/00/96/43/260009643.db2.gz ACNPCFMAWLSYML-HNNXBMFYSA-N 0 3 361.402 1.541 20 5 FDBDHN Cn1cc(C[C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000368255602 260157699 /nfs/dbraw/zinc/15/76/99/260157699.db2.gz VEWCPLFCMDUOEJ-ZBFHGGJFSA-N 0 3 360.414 1.633 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368399064 260177291 /nfs/dbraw/zinc/17/72/91/260177291.db2.gz HSQRDYWXBMZCTR-ZFWWWQNUSA-N 0 3 360.414 1.703 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368598379 260208035 /nfs/dbraw/zinc/20/80/35/260208035.db2.gz ZWGANLPWSQSYSM-BBRMVZONSA-N 0 3 370.413 1.650 20 5 FDBDHN C[C@H](CO)N1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000368974608 260271266 /nfs/dbraw/zinc/27/12/66/260271266.db2.gz PULOZTPWKLXZHP-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000369274949 260331178 /nfs/dbraw/zinc/33/11/78/260331178.db2.gz UCDVALZNXDTQOL-ZDUSSCGKSA-N 0 3 362.430 1.502 20 5 FDBDHN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000373316363 261000633 /nfs/dbraw/zinc/00/06/33/261000633.db2.gz HQOCMUGGZPCMIO-ZDUSSCGKSA-N 0 3 362.434 1.044 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540421 261149727 /nfs/dbraw/zinc/14/97/27/261149727.db2.gz DWIGLNDMLGCDFU-GFCCVEGCSA-N 0 3 374.401 1.930 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375023889 261251141 /nfs/dbraw/zinc/25/11/41/261251141.db2.gz VRJWMHCVQUQUAP-HEHGZKQESA-N 0 3 360.414 1.266 20 5 FDBDHN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408310854 262092969 /nfs/dbraw/zinc/09/29/69/262092969.db2.gz UZIIACILXZAQAM-KGLIPLIRSA-N 0 3 357.407 1.947 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000409724753 262136966 /nfs/dbraw/zinc/13/69/66/262136966.db2.gz YPDXCRDMJGDXRU-OAHLLOKOSA-N 0 3 364.446 1.606 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000271116281 674311559 /nfs/dbraw/zinc/31/15/59/674311559.db2.gz KAJBDWJZSSUEEV-KGLIPLIRSA-N 0 3 368.415 1.929 20 5 FDBDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000015131491 518710835 /nfs/dbraw/zinc/71/08/35/518710835.db2.gz GLUZQCDHJQWPLC-INIZCTEOSA-N 0 3 364.427 1.957 20 5 FDBDHN NC(=O)CCN(Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025303248 519054594 /nfs/dbraw/zinc/05/45/94/519054594.db2.gz UBPIFXPAXSNYCC-KRWDZBQOSA-N 0 3 373.409 1.712 20 5 FDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCN(C)CCOC)cc1OC ZINC000041967318 519674310 /nfs/dbraw/zinc/67/43/10/519674310.db2.gz AJSWOGWQEZMUDT-UHFFFAOYSA-N 0 3 369.418 1.700 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000045779335 522157305 /nfs/dbraw/zinc/15/73/05/522157305.db2.gz OPXNJUZBIXLOGL-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CNS(=O)(=O)c1ccc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000057854567 522170855 /nfs/dbraw/zinc/17/08/55/522170855.db2.gz LMGDABXWMZNFSK-UHFFFAOYSA-N 0 3 368.419 1.005 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000061035287 522433240 /nfs/dbraw/zinc/43/32/40/522433240.db2.gz YFPBPROEOQYXMB-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047147802 522457906 /nfs/dbraw/zinc/45/79/06/522457906.db2.gz IHFPIACWKCOYRI-CQSZACIVSA-N 0 3 362.430 1.563 20 5 FDBDHN CN1CCN(CCCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061524960 522466603 /nfs/dbraw/zinc/46/66/03/522466603.db2.gz FVHLWUFKDGVUJB-UHFFFAOYSA-N 0 3 363.462 1.541 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063783733 522652020 /nfs/dbraw/zinc/65/20/20/522652020.db2.gz DZWQXMVUIHXHFJ-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064333885 522700857 /nfs/dbraw/zinc/70/08/57/522700857.db2.gz UJAYQVWFLTXTMG-JKSUJKDBSA-N 0 3 371.397 1.374 20 5 FDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000048716953 522773252 /nfs/dbraw/zinc/77/32/52/522773252.db2.gz OESNFHQDCMXUEL-OCCSQVGLSA-N 0 3 370.427 1.502 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000050993489 522958470 /nfs/dbraw/zinc/95/84/70/522958470.db2.gz KNFCUXJNSHPACF-UHFFFAOYSA-N 0 3 364.402 1.533 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000076980979 523223731 /nfs/dbraw/zinc/22/37/31/523223731.db2.gz XVODXUWBMPODGX-MRXNPFEDSA-N 0 3 373.457 1.911 20 5 FDBDHN CN(C)C(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053399170 523417922 /nfs/dbraw/zinc/41/79/22/523417922.db2.gz ULKAORIVSXOTEY-HNNXBMFYSA-N 0 3 351.403 1.135 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccnc(OCCN(C)C)c1 ZINC000135380558 524134711 /nfs/dbraw/zinc/13/47/11/524134711.db2.gz CYJZPWBLVQBASJ-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN C[C@H](NC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000157968082 524377465 /nfs/dbraw/zinc/37/74/65/524377465.db2.gz XQRZKWRGYVESHA-ZDUSSCGKSA-N 0 3 373.413 1.948 20 5 FDBDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173595637 524420572 /nfs/dbraw/zinc/42/05/72/524420572.db2.gz QNWLDJZUWPXOEE-CJNGLKHVSA-N 0 3 367.450 1.025 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122471930 524545895 /nfs/dbraw/zinc/54/58/95/524545895.db2.gz QOMRRPZAULXWBY-YPMHNXCESA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000151620187 524632629 /nfs/dbraw/zinc/63/26/29/524632629.db2.gz ZXBOOKCFLOAUKZ-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000151625267 524633438 /nfs/dbraw/zinc/63/34/38/524633438.db2.gz RYZZBZDPHUGYFG-HNNXBMFYSA-N 0 3 353.444 1.842 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000151657387 524643450 /nfs/dbraw/zinc/64/34/50/524643450.db2.gz JKRHZYDRBAUTIO-ZBFHGGJFSA-N 0 3 372.429 1.754 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000151943044 524734098 /nfs/dbraw/zinc/73/40/98/524734098.db2.gz ZVXOHOARSKKPRE-UHFFFAOYSA-N 0 3 356.448 1.743 20 5 FDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000114141109 524745457 /nfs/dbraw/zinc/74/54/57/524745457.db2.gz XDIXWLFOGNWZNT-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000159933124 524770630 /nfs/dbraw/zinc/77/06/30/524770630.db2.gz IZPSSDPHVUYGPE-CQSZACIVSA-N 0 3 355.822 1.754 20 5 FDBDHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000114512623 524824405 /nfs/dbraw/zinc/82/44/05/524824405.db2.gz BQJCEQGZQWMNFU-UHFFFAOYSA-N 0 3 365.434 1.106 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115444032 524998215 /nfs/dbraw/zinc/99/82/15/524998215.db2.gz BYCFXJQCSYLPEI-KBPBESRZSA-N 0 3 362.430 1.513 20 5 FDBDHN CCOc1ccc([C@H](C)NC2CCN(CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000152858198 525029358 /nfs/dbraw/zinc/02/93/58/525029358.db2.gz LOOIHGJZZQMEDO-ZDUSSCGKSA-N 0 3 364.446 1.855 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000161302637 525076324 /nfs/dbraw/zinc/07/63/24/525076324.db2.gz WPJOACIIHCBEKT-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000153096857 525105129 /nfs/dbraw/zinc/10/51/29/525105129.db2.gz RJPCPBSOGOMWOV-OAHLLOKOSA-N 0 3 360.414 1.282 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125285708 525184489 /nfs/dbraw/zinc/18/44/89/525184489.db2.gz AUOUGTOBHFGJGL-LLVKDONJSA-N 0 3 365.477 1.600 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000161966400 525194806 /nfs/dbraw/zinc/19/48/06/525194806.db2.gz IAHNHSMNMGSLIP-UHFFFAOYSA-N 0 3 372.429 1.718 20 5 FDBDHN C[C@H]1CCC[C@](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)(N(C)C)C1 ZINC000162502551 525270214 /nfs/dbraw/zinc/27/02/14/525270214.db2.gz VSMABHNGUPXORT-GUYCJALGSA-N 0 3 350.419 1.383 20 5 FDBDHN COc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000126706114 525342988 /nfs/dbraw/zinc/34/29/88/525342988.db2.gz XUUBOZDFSJBGFT-INIZCTEOSA-N 0 3 373.413 1.753 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118096493 525438873 /nfs/dbraw/zinc/43/88/73/525438873.db2.gz TUMGQXLFOYADOH-NSHDSACASA-N 0 3 354.794 1.787 20 5 FDBDHN CCCCN1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000164196714 525485048 /nfs/dbraw/zinc/48/50/48/525485048.db2.gz ROLCBYGPTNEFNB-CQSZACIVSA-N 0 3 350.419 1.527 20 5 FDBDHN CC(C)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000180053176 525654466 /nfs/dbraw/zinc/65/44/66/525654466.db2.gz VTMKZBGJOCIVQS-MRXNPFEDSA-N 0 3 351.403 1.447 20 5 FDBDHN CCN1CCN(c2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000130024753 525714720 /nfs/dbraw/zinc/71/47/20/525714720.db2.gz UXHBNBKUCFWLJP-UHFFFAOYSA-N 0 3 372.429 1.363 20 5 FDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000171127470 525863331 /nfs/dbraw/zinc/86/33/31/525863331.db2.gz IOFNAEHEEZXSJM-UHFFFAOYSA-N 0 3 354.363 1.428 20 5 FDBDHN COCCN(C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171212027 525900155 /nfs/dbraw/zinc/90/01/55/525900155.db2.gz WFPFSEQRAXXMNA-UHFFFAOYSA-N 0 3 365.434 1.005 20 5 FDBDHN CN1CCC[C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000171768727 526114053 /nfs/dbraw/zinc/11/40/53/526114053.db2.gz JELAYDNAQQHPSC-OAHLLOKOSA-N 0 3 361.446 1.768 20 5 FDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)Cc1ccccc1 ZINC000110353816 526237494 /nfs/dbraw/zinc/23/74/94/526237494.db2.gz WJYNZJVGCDCOTL-AWEZNQCLSA-N 0 3 358.398 1.393 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182739802 535855272 /nfs/dbraw/zinc/85/52/72/535855272.db2.gz OPIKOWBJVUBNML-UHFFFAOYSA-N 0 3 368.821 1.987 20 5 FDBDHN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000182736208 535855848 /nfs/dbraw/zinc/85/58/48/535855848.db2.gz ZPVHHXHUUPCEHV-GFCCVEGCSA-N 0 3 366.805 1.883 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C1CC1 ZINC000182768454 535860305 /nfs/dbraw/zinc/86/03/05/535860305.db2.gz GTAXTYANZQRUJY-VIFPVBQESA-N 0 3 354.794 1.786 20 5 FDBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183570424 536006327 /nfs/dbraw/zinc/00/63/27/536006327.db2.gz UGFBXTOEXFOQFF-UHFFFAOYSA-N 0 3 359.386 1.902 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000184389544 536143943 /nfs/dbraw/zinc/14/39/43/536143943.db2.gz KCQYWCIIKMLBEN-NSHDSACASA-N 0 3 356.373 1.629 20 5 FDBDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185829557 536218623 /nfs/dbraw/zinc/21/86/23/536218623.db2.gz DJGUEMRWILZCLK-CYBMUJFWSA-N 0 3 371.459 1.308 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000186338059 536232602 /nfs/dbraw/zinc/23/26/02/536232602.db2.gz JSRNFFUWPUOSBH-DLEKYWELSA-N 0 3 360.458 1.998 20 5 FDBDHN O=C(C[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000246426496 536950505 /nfs/dbraw/zinc/95/05/05/536950505.db2.gz CWHPLSPCLIPGSW-GXTWGEPZSA-N 0 3 364.427 1.951 20 5 FDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN2CCC1CC2 ZINC000188848967 536959476 /nfs/dbraw/zinc/95/94/76/536959476.db2.gz LXMAOVFXLPZZLH-UHFFFAOYSA-N 0 3 374.397 1.590 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246480281 536962032 /nfs/dbraw/zinc/96/20/32/536962032.db2.gz OQKHAWKBNYYGCU-LXZKKBNFSA-N 0 3 374.441 1.798 20 5 FDBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246717888 537010930 /nfs/dbraw/zinc/01/09/30/537010930.db2.gz LJFVVMFTIQPYCU-RHSMWYFYSA-N 0 3 373.413 1.503 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246951544 537057678 /nfs/dbraw/zinc/05/76/78/537057678.db2.gz ICYDPCZOMNYIBK-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000246991861 537065107 /nfs/dbraw/zinc/06/51/07/537065107.db2.gz KFIGWRGEAAIKSC-MOPGFXCFSA-N 0 3 374.441 1.876 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000189704728 537083240 /nfs/dbraw/zinc/08/32/40/537083240.db2.gz GXRQDTVYNHZKKK-HNNXBMFYSA-N 0 3 351.403 1.969 20 5 FDBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247337461 537110240 /nfs/dbraw/zinc/11/02/40/537110240.db2.gz JAWFACBLPAQKRK-WBMJQRKESA-N 0 3 372.429 1.896 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000249556956 537238690 /nfs/dbraw/zinc/23/86/90/537238690.db2.gz KDPWKHGOXDPWRD-AWEZNQCLSA-N 0 3 350.419 1.230 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000290216076 537292219 /nfs/dbraw/zinc/29/22/19/537292219.db2.gz JHBQJVXQUHAEMY-ZDUSSCGKSA-N 0 3 362.430 1.944 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272687858 537320361 /nfs/dbraw/zinc/32/03/61/537320361.db2.gz WMYSFTMNAJYPOT-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272870619 537352412 /nfs/dbraw/zinc/35/24/12/537352412.db2.gz SKYRUERSFZVEJN-UHFFFAOYSA-N 0 3 357.414 1.662 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000276244661 537361585 /nfs/dbraw/zinc/36/15/85/537361585.db2.gz RARYSBIDIAFPBH-GFCCVEGCSA-N 0 3 371.415 1.096 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270726288 537372125 /nfs/dbraw/zinc/37/21/25/537372125.db2.gz IYTNCTASILXVLT-QWHCGFSZSA-N 0 3 354.388 1.621 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000273930038 537514985 /nfs/dbraw/zinc/51/49/85/537514985.db2.gz CEWRZWHINISASI-VXGBXAGGSA-N 0 3 350.375 1.176 20 5 FDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000272131765 537530136 /nfs/dbraw/zinc/53/01/36/537530136.db2.gz BVLOCYWMGBIBGJ-ZDUSSCGKSA-N 0 3 363.414 1.975 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366602839 537795993 /nfs/dbraw/zinc/79/59/93/537795993.db2.gz RWTNFSCCVZYQCA-GOSISDBHSA-N 0 3 355.398 1.948 20 5 FDBDHN Cc1cc(OCC(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366674474 537817603 /nfs/dbraw/zinc/81/76/03/537817603.db2.gz RXKBOKJJYUEYHJ-OAHLLOKOSA-N 0 3 363.414 1.652 20 5 FDBDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000377742802 538010609 /nfs/dbraw/zinc/01/06/09/538010609.db2.gz LJKADSCNKMMCOL-LBPRGKRZSA-N 0 3 374.488 1.057 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN([C@@H](C)CO)CC1 ZINC000372740215 538019113 /nfs/dbraw/zinc/01/91/13/538019113.db2.gz LZOGGCKJTBOAMV-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000419970714 538169462 /nfs/dbraw/zinc/16/94/62/538169462.db2.gz CGCOIWKEYUJXAL-KRWDZBQOSA-N 0 3 361.402 1.213 20 5 FDBDHN Cn1c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000427158986 538177128 /nfs/dbraw/zinc/17/71/28/538177128.db2.gz AVHYUBFNFAAESA-CQSZACIVSA-N 0 3 350.419 1.650 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000420467634 538299323 /nfs/dbraw/zinc/29/93/23/538299323.db2.gz YSXHHDVHNJXYCP-UHFFFAOYSA-N 0 3 368.459 1.090 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452349972 538378418 /nfs/dbraw/zinc/37/84/18/538378418.db2.gz NRDRICZFIVZSEW-GFCCVEGCSA-N 0 3 353.444 1.893 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452369320 538383123 /nfs/dbraw/zinc/38/31/23/538383123.db2.gz RQQOMIQIAILLAS-CQSZACIVSA-N 0 3 351.403 1.245 20 5 FDBDHN O=C(NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000452378527 538386244 /nfs/dbraw/zinc/38/62/44/538386244.db2.gz OVHLNDJHZKAETD-CYBMUJFWSA-N 0 3 358.398 1.720 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000454137330 538519044 /nfs/dbraw/zinc/51/90/44/538519044.db2.gz SACKVGKNKHEYHO-CYBMUJFWSA-N 0 3 352.391 1.572 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000477080968 538586845 /nfs/dbraw/zinc/58/68/45/538586845.db2.gz FZJLTGLYMXAVMN-ZDUSSCGKSA-N 0 3 352.391 1.836 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000472611354 538669860 /nfs/dbraw/zinc/66/98/60/538669860.db2.gz KKUWZYPJFXHMJS-GFCCVEGCSA-N 0 3 366.393 1.909 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)cc1OC ZINC000496987265 538724024 /nfs/dbraw/zinc/72/40/24/538724024.db2.gz FICGPGYRFOSXGO-UHFFFAOYSA-N 0 3 367.402 1.453 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465890534 538734692 /nfs/dbraw/zinc/73/46/92/538734692.db2.gz OZERYCNWMJBQRA-OAHLLOKOSA-N 0 3 350.419 1.547 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488525274 538742700 /nfs/dbraw/zinc/74/27/00/538742700.db2.gz XOXYKXGWHCJCBD-ZFWWWQNUSA-N 0 3 358.402 1.213 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470142014 538830591 /nfs/dbraw/zinc/83/05/91/538830591.db2.gz QNIYADXDGZLBBP-HNNXBMFYSA-N 0 3 354.382 1.948 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000474346006 538835271 /nfs/dbraw/zinc/83/52/71/538835271.db2.gz CFDDOFHYWCBSOJ-RDJZCZTQSA-N 0 3 352.387 1.787 20 5 FDBDHN COC(=O)c1cnc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])c1 ZINC000481035694 538870597 /nfs/dbraw/zinc/87/05/97/538870597.db2.gz IAQHSQQARGXBMH-UHFFFAOYSA-N 0 3 373.369 1.507 20 5 FDBDHN CSC1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000562149269 546040593 /nfs/dbraw/zinc/04/05/93/546040593.db2.gz AQBYKJMUDPNGGU-UHFFFAOYSA-N 0 3 366.443 1.477 20 5 FDBDHN O=C(CN[C@H](CO)C1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564001907 546770169 /nfs/dbraw/zinc/77/01/69/546770169.db2.gz CNZJDNIZORHLNS-CYBMUJFWSA-N 0 3 357.794 1.564 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000564017699 546776074 /nfs/dbraw/zinc/77/60/74/546776074.db2.gz QHOLMGSTENOGFV-IUODEOHRSA-N 0 3 362.430 1.461 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000564056398 546789572 /nfs/dbraw/zinc/78/95/72/546789572.db2.gz HGTBMPAVKUENIO-GOSISDBHSA-N 0 3 362.430 1.360 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000564702203 547007163 /nfs/dbraw/zinc/00/71/63/547007163.db2.gz GWUYTZSQPOFQSP-HZPDHXFCSA-N 0 3 363.418 1.562 20 5 FDBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CN2CCOCC2)cc(C(F)(F)F)c1 ZINC000565655755 547433630 /nfs/dbraw/zinc/43/36/30/547433630.db2.gz XRLGYIOPRICJTG-CQSZACIVSA-N 0 3 363.336 1.396 20 5 FDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000565950454 547543599 /nfs/dbraw/zinc/54/35/99/547543599.db2.gz DTVZGQXURYQMAO-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN CCc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000566162189 547633354 /nfs/dbraw/zinc/63/33/54/547633354.db2.gz YAQIWOBAKMIAHX-UHFFFAOYSA-N 0 3 372.491 1.271 20 5 FDBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000566221114 547665916 /nfs/dbraw/zinc/66/59/16/547665916.db2.gz XMKFBDCELUTOGL-YUMQZZPRSA-N 0 3 366.237 1.761 20 5 FDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000566219712 547665967 /nfs/dbraw/zinc/66/59/67/547665967.db2.gz FKPGWKOXNRPVNG-KRWDZBQOSA-N 0 3 361.423 1.983 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000566588941 547817664 /nfs/dbraw/zinc/81/76/64/547817664.db2.gz DDXDOYXFIPMMDA-STQMWFEESA-N 0 3 372.219 1.033 20 5 FDBDHN COc1cc(C(=O)N(CCN(C)C)CCN(C)C)cc([N+](=O)[O-])c1C ZINC000567008420 547962081 /nfs/dbraw/zinc/96/20/81/547962081.db2.gz FZQWGKXZTWEYJO-UHFFFAOYSA-N 0 3 352.435 1.477 20 5 FDBDHN Cc1nccn1-c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000567566145 548162458 /nfs/dbraw/zinc/16/24/58/548162458.db2.gz GGGXKAYQMXSTEJ-OAHLLOKOSA-N 0 3 374.376 1.575 20 5 FDBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570395449 549263865 /nfs/dbraw/zinc/26/38/65/549263865.db2.gz LCPPTONCIKYQQP-YUMQZZPRSA-N 0 3 366.237 1.761 20 5 FDBDHN CN(C(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000570949016 549472301 /nfs/dbraw/zinc/47/23/01/549472301.db2.gz UHJAUJVDXZPBCC-QZTJIDSGSA-N 0 3 363.414 1.467 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cn3ccnc3)cc2)c1 ZINC000571516178 549672296 /nfs/dbraw/zinc/67/22/96/549672296.db2.gz JAAKHCHIWPYLQC-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572986380 550038482 /nfs/dbraw/zinc/03/84/82/550038482.db2.gz GTPZENADKLTEBM-WCQYABFASA-N 0 3 364.427 1.091 20 5 FDBDHN N[C@@H]1C[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000576479244 550553796 /nfs/dbraw/zinc/55/37/96/550553796.db2.gz CCHLMPXNLBTWTF-SWLSCSKDSA-N 0 3 356.382 1.599 20 5 FDBDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576937119 550601808 /nfs/dbraw/zinc/60/18/08/550601808.db2.gz XALGUCGURDZSSH-XZJROXQQSA-N 0 3 352.366 1.657 20 5 FDBDHN CNc1nccc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000577230269 550634929 /nfs/dbraw/zinc/63/49/29/550634929.db2.gz ZAWCEOYAEPPMLF-UHFFFAOYSA-N 0 3 372.429 2.021 20 5 FDBDHN CNc1nccc(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000580343206 550969572 /nfs/dbraw/zinc/96/95/72/550969572.db2.gz KNZGUEUSMCIXRI-UHFFFAOYSA-N 0 3 373.413 1.902 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000581592884 551108481 /nfs/dbraw/zinc/10/84/81/551108481.db2.gz DJYSOKGVRCGGFE-OAHLLOKOSA-N 0 3 366.418 1.120 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000581939598 551152576 /nfs/dbraw/zinc/15/25/76/551152576.db2.gz OVRGKNUNFZKLKX-SWLSCSKDSA-N 0 3 350.350 1.795 20 5 FDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000582280409 551200518 /nfs/dbraw/zinc/20/05/18/551200518.db2.gz NMZUDXLBAKOZBJ-RDTXWAMCSA-N 0 3 372.473 1.929 20 5 FDBDHN C[C@H]1CCN(CC(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000583093283 551302869 /nfs/dbraw/zinc/30/28/69/551302869.db2.gz IISHOEYFSCYUPP-ZDUSSCGKSA-N 0 3 372.429 1.798 20 5 FDBDHN O=C([C@H]1CNCc2ccccc21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583379324 551342557 /nfs/dbraw/zinc/34/25/57/551342557.db2.gz PYDPYKHJXMCKSF-YOEHRIQHSA-N 0 3 367.409 1.890 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000583778538 551400977 /nfs/dbraw/zinc/40/09/77/551400977.db2.gz YNJHXWXJDBRNJL-UHFFFAOYSA-N 0 3 351.403 1.327 20 5 FDBDHN Nc1cc(NCc2ccccc2CN2CC[C@H](O)C2)cc(CO)c1[N+](=O)[O-] ZINC000588014413 551640744 /nfs/dbraw/zinc/64/07/44/551640744.db2.gz AWBFSIBLWFXEAI-KRWDZBQOSA-N 0 3 372.425 1.848 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588861084 551694537 /nfs/dbraw/zinc/69/45/37/551694537.db2.gz OEGBZSTYMZDRJE-IAGOWNOFSA-N 0 3 362.430 1.454 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCCN(CCCO)C1)OCCO2 ZINC000590655101 551801657 /nfs/dbraw/zinc/80/16/57/551801657.db2.gz FGQYFFBTNPASRZ-CQSZACIVSA-N 0 3 351.403 1.302 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000590763278 551814216 /nfs/dbraw/zinc/81/42/16/551814216.db2.gz CJBYNPMNIBFPAU-YOGCLGLASA-N 0 3 355.416 1.507 20 5 FDBDHN CCNC(=O)c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728028 551903956 /nfs/dbraw/zinc/90/39/56/551903956.db2.gz FBUJCAKXVLODIY-INIZCTEOSA-N 0 3 373.409 1.874 20 5 FDBDHN CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000591745517 551905622 /nfs/dbraw/zinc/90/56/22/551905622.db2.gz LPUSNGUZUJYZMV-HUUCEWRRSA-N 0 3 354.794 1.783 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCN(c2ccccn2)C1 ZINC000591757086 551906681 /nfs/dbraw/zinc/90/66/81/551906681.db2.gz YCTYFWSCHHOXSS-GJZGRUSLSA-N 0 3 358.398 1.598 20 5 FDBDHN CCOc1ccc2c(c1)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591761110 551907044 /nfs/dbraw/zinc/90/70/44/551907044.db2.gz VZIKOYDJYCBALP-BBRMVZONSA-N 0 3 362.386 1.664 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000591995649 551924770 /nfs/dbraw/zinc/92/47/70/551924770.db2.gz YBHUQFDJPITPEY-UHFFFAOYSA-N 0 3 362.430 1.644 20 5 FDBDHN CCc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000592029775 551929250 /nfs/dbraw/zinc/92/92/50/551929250.db2.gz JLYVVFYTVDYICT-UHFFFAOYSA-N 0 3 371.459 1.546 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000592329200 551980867 /nfs/dbraw/zinc/98/08/67/551980867.db2.gz PUBGJTIXOQZXNJ-UHFFFAOYSA-N 0 3 368.393 1.553 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000592540644 552006556 /nfs/dbraw/zinc/00/65/56/552006556.db2.gz CPQOOLKTZYDTTR-CYBMUJFWSA-N 0 3 373.417 1.507 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)n1 ZINC000592881106 552038560 /nfs/dbraw/zinc/03/85/60/552038560.db2.gz KNWOFRUDTCGOGP-CABCVRRESA-N 0 3 357.414 1.886 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898105 552040498 /nfs/dbraw/zinc/04/04/98/552040498.db2.gz BWLORYLNBXZVST-UHFFFAOYSA-N 0 3 351.407 1.378 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898105 552040499 /nfs/dbraw/zinc/04/04/99/552040499.db2.gz BWLORYLNBXZVST-UHFFFAOYSA-N 0 3 351.407 1.378 20 5 FDBDHN Cc1cc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000593707459 552178916 /nfs/dbraw/zinc/17/89/16/552178916.db2.gz IKRAMIGVRJLKQA-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000593720246 552182370 /nfs/dbraw/zinc/18/23/70/552182370.db2.gz ADDOISQFWMUIBS-UHFFFAOYSA-N 0 3 364.402 1.486 20 5 FDBDHN COc1cc(OCC(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593884027 552216831 /nfs/dbraw/zinc/21/68/31/552216831.db2.gz QGKXGLUWYFZIJE-UHFFFAOYSA-N 0 3 351.403 1.927 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000593905404 552222756 /nfs/dbraw/zinc/22/27/56/552222756.db2.gz FPQCECYBEYQSBM-GXTWGEPZSA-N 0 3 357.414 1.970 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594418398 552306809 /nfs/dbraw/zinc/30/68/09/552306809.db2.gz IMRSKAHCURTKOZ-CVEARBPZSA-N 0 3 360.414 1.458 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594418176 552306914 /nfs/dbraw/zinc/30/69/14/552306914.db2.gz GVIPBASAOVKSPO-XKQJLSEDSA-N 0 3 374.441 1.846 20 5 FDBDHN NC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594535917 552330417 /nfs/dbraw/zinc/33/04/17/552330417.db2.gz IFKJOWJUQPJVOK-LBPRGKRZSA-N 0 3 361.324 1.316 20 5 FDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594711213 552361300 /nfs/dbraw/zinc/36/13/00/552361300.db2.gz OIPMHVXIAWIXIU-WFASDCNBSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(S(C)(=O)=O)CC1 ZINC000595003761 552436356 /nfs/dbraw/zinc/43/63/56/552436356.db2.gz LWEVWUGNDHGPTK-NSHDSACASA-N 0 3 357.432 1.678 20 5 FDBDHN COC1([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000595017947 552437958 /nfs/dbraw/zinc/43/79/58/552437958.db2.gz YDTUZWABIPUFEK-GFCCVEGCSA-N 0 3 357.432 1.420 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CC[NH+](CC2CC2)CC1 ZINC000595413070 552554235 /nfs/dbraw/zinc/55/42/35/552554235.db2.gz VHMVOMHYUDOOTH-UHFFFAOYSA-N 0 3 353.444 1.995 20 5 FDBDHN CO[C@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595659875 552598466 /nfs/dbraw/zinc/59/84/66/552598466.db2.gz QQVYWEIUSYNNCY-QGZVFWFLSA-N 0 3 351.403 1.705 20 5 FDBDHN O=C(CCN1CC[C@@H](CN2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595827475 552620651 /nfs/dbraw/zinc/62/06/51/552620651.db2.gz CIFIUZQLVYQLDS-CQSZACIVSA-N 0 3 360.414 1.868 20 5 FDBDHN C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]C1 ZINC000596050604 552649747 /nfs/dbraw/zinc/64/97/47/552649747.db2.gz MANRYBWDXKWVMP-NSHDSACASA-N 0 3 353.322 1.644 20 5 FDBDHN CC(C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCCC1 ZINC000596070114 552652106 /nfs/dbraw/zinc/65/21/06/552652106.db2.gz NHXSYONFSSRZFU-CQSZACIVSA-N 0 3 356.448 1.775 20 5 FDBDHN CC(C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCCC1 ZINC000596069696 552652317 /nfs/dbraw/zinc/65/23/17/552652317.db2.gz IQWPMFDACRSOQP-AWEZNQCLSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596108411 552655982 /nfs/dbraw/zinc/65/59/82/552655982.db2.gz BYFQRZKXDWTEEW-OAHLLOKOSA-N 0 3 363.418 1.048 20 5 FDBDHN NC(=O)c1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596424577 552677940 /nfs/dbraw/zinc/67/79/40/552677940.db2.gz SJXROLCTPWRVNM-INIZCTEOSA-N 0 3 370.409 1.872 20 5 FDBDHN CSc1cccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000597574855 552806865 /nfs/dbraw/zinc/80/68/65/552806865.db2.gz SIOWROUNJPKFPJ-INIZCTEOSA-N 0 3 353.444 1.845 20 5 FDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000597717046 552825954 /nfs/dbraw/zinc/82/59/54/552825954.db2.gz XBQAUAUQMBMWRL-SFHVURJKSA-N 0 3 361.398 1.924 20 5 FDBDHN COc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000598377174 552890435 /nfs/dbraw/zinc/89/04/35/552890435.db2.gz ULPXIJLYBJNXTQ-GFCCVEGCSA-N 0 3 367.377 1.726 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)n1 ZINC000598535338 552906840 /nfs/dbraw/zinc/90/68/40/552906840.db2.gz BTDFIBXGQIJNIH-ZDUSSCGKSA-N 0 3 365.434 1.527 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536801 552907055 /nfs/dbraw/zinc/90/70/55/552907055.db2.gz XLPAVKKVUXXEAS-GFCCVEGCSA-N 0 3 351.407 1.342 20 5 FDBDHN Cc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536801 552907057 /nfs/dbraw/zinc/90/70/57/552907057.db2.gz XLPAVKKVUXXEAS-GFCCVEGCSA-N 0 3 351.407 1.342 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCN1 ZINC000598572864 552910497 /nfs/dbraw/zinc/91/04/97/552910497.db2.gz MBNNKCDTVWAZMJ-CYBMUJFWSA-N 0 3 374.397 1.318 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897987 552941170 /nfs/dbraw/zinc/94/11/70/552941170.db2.gz NJPCAKIKHXOAJS-TZMCWYRMSA-N 0 3 363.418 1.657 20 5 FDBDHN CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598911026 552943765 /nfs/dbraw/zinc/94/37/65/552943765.db2.gz ZBFPFKJWNHVKMY-OAHLLOKOSA-N 0 3 363.418 1.659 20 5 FDBDHN C[N@@H+]1CC[C@@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962509 552951844 /nfs/dbraw/zinc/95/18/44/552951844.db2.gz BMNJDFCVJHCLMA-CYBMUJFWSA-N 0 3 370.475 1.336 20 5 FDBDHN C[N@H+]1CC[C@@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962509 552951846 /nfs/dbraw/zinc/95/18/46/552951846.db2.gz BMNJDFCVJHCLMA-CYBMUJFWSA-N 0 3 370.475 1.336 20 5 FDBDHN COC(=O)CCNC(=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599089738 552966144 /nfs/dbraw/zinc/96/61/44/552966144.db2.gz WMPIAZIMGBOFAK-HNNXBMFYSA-N 0 3 363.414 1.976 20 5 FDBDHN [NH3+]CCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599110209 552969182 /nfs/dbraw/zinc/96/91/82/552969182.db2.gz KYBSJOUUQJCDAC-UHFFFAOYSA-N 0 3 371.337 1.257 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)[C@@H]2C1 ZINC000599967503 553188406 /nfs/dbraw/zinc/18/84/06/553188406.db2.gz ZAMMZBYXBUXICP-MEDUHNTESA-N 0 3 359.361 1.696 20 5 FDBDHN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCN(C)CC1 ZINC000599985286 553193755 /nfs/dbraw/zinc/19/37/55/553193755.db2.gz BOBLOOAUTUJGQA-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600533184 553281352 /nfs/dbraw/zinc/28/13/52/553281352.db2.gz KMSVOHMSQHNMQS-GFCCVEGCSA-N 0 3 357.794 1.200 20 5 FDBDHN CN1CCN(C(=O)CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602542128 553602955 /nfs/dbraw/zinc/60/29/55/553602955.db2.gz UEPQRBDVWJENJG-UHFFFAOYSA-N 0 3 374.363 1.867 20 5 FDBDHN Cn1ccnc1CN1CCC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000602600805 553610563 /nfs/dbraw/zinc/61/05/63/553610563.db2.gz HRGITUYSVMTTMG-INIZCTEOSA-N 0 3 357.414 1.652 20 5 FDBDHN CC(C)(C)N1CC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602702055 553625015 /nfs/dbraw/zinc/62/50/15/553625015.db2.gz NAUSIHUAAPYZKK-OAHLLOKOSA-N 0 3 361.446 1.948 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000603052698 553701705 /nfs/dbraw/zinc/70/17/05/553701705.db2.gz MLKPYWISQHDVJC-LBPRGKRZSA-N 0 3 372.219 1.544 20 5 FDBDHN CN1CCN(CCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000604439039 553877647 /nfs/dbraw/zinc/87/76/47/553877647.db2.gz WNIKPKGAJZAGNG-UHFFFAOYSA-N 0 3 364.402 1.081 20 5 FDBDHN Cc1nn(CCC(=O)N2CCN(c3ccncc3)CC2)c(C)c1[N+](=O)[O-] ZINC000608810909 554321591 /nfs/dbraw/zinc/32/15/91/554321591.db2.gz ZYNJTDANDQFDHW-UHFFFAOYSA-N 0 3 358.402 1.542 20 5 FDBDHN COCCN1CC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000609347423 554370507 /nfs/dbraw/zinc/37/05/07/554370507.db2.gz HPTMICYDSPMHPH-AWEZNQCLSA-N 0 3 373.413 1.446 20 5 FDBDHN C[C@@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609574727 554395904 /nfs/dbraw/zinc/39/59/04/554395904.db2.gz FPWCQMFDYRRBJA-ZIAGYGMSSA-N 0 3 370.413 1.970 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)Cc3ccccc3C1)OCCO2 ZINC000610010209 554448453 /nfs/dbraw/zinc/44/84/53/554448453.db2.gz VNDXPJSMHGQRJL-UHFFFAOYSA-N 0 3 356.378 1.986 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000610241469 554477049 /nfs/dbraw/zinc/47/70/49/554477049.db2.gz FSXOHLACXNUHOP-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1nc(CN2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000611430787 554632893 /nfs/dbraw/zinc/63/28/93/554632893.db2.gz AXUUKPWNJORLGR-UHFFFAOYSA-N 0 3 360.418 1.608 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611876591 554694959 /nfs/dbraw/zinc/69/49/59/554694959.db2.gz YCXSTZMPBPWLAU-CYBMUJFWSA-N 0 3 362.386 1.142 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612449052 554783768 /nfs/dbraw/zinc/78/37/68/554783768.db2.gz QQLRPZXAYOKQPI-OAHLLOKOSA-N 0 3 370.413 1.457 20 5 FDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000613078651 554879451 /nfs/dbraw/zinc/87/94/51/554879451.db2.gz ZMUAYDINMSEMAD-CALCHBBNSA-N 0 3 360.458 1.812 20 5 FDBDHN CN(C)CCn1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000615838778 555246808 /nfs/dbraw/zinc/24/68/08/555246808.db2.gz CLRUUIDXZJMRHO-UHFFFAOYSA-N 0 3 374.401 1.648 20 5 FDBDHN C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586198 607329431 /nfs/dbraw/zinc/32/94/31/607329431.db2.gz NMBANRVYKYOWMB-UHFFFAOYSA-N 0 3 368.401 1.738 20 5 FDBDHN C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586198 607329432 /nfs/dbraw/zinc/32/94/32/607329432.db2.gz NMBANRVYKYOWMB-UHFFFAOYSA-N 0 3 368.401 1.738 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369769 598500053 /nfs/dbraw/zinc/50/00/53/598500053.db2.gz OAUWYAVCMCEPDV-UHFFFAOYSA-N 0 3 358.406 1.482 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369769 598500055 /nfs/dbraw/zinc/50/00/55/598500055.db2.gz OAUWYAVCMCEPDV-UHFFFAOYSA-N 0 3 358.406 1.482 20 5 FDBDHN COc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821809606 599434307 /nfs/dbraw/zinc/43/43/07/599434307.db2.gz PJDYJYBOYHLCQB-HNNXBMFYSA-N 0 3 370.369 1.607 20 5 FDBDHN COc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000821809606 599434309 /nfs/dbraw/zinc/43/43/09/599434309.db2.gz PJDYJYBOYHLCQB-HNNXBMFYSA-N 0 3 370.369 1.607 20 5 FDBDHN C[NH+](C)[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821583505 599518368 /nfs/dbraw/zinc/51/83/68/599518368.db2.gz XYDPHLHIHBYGOC-LBPRGKRZSA-N 0 3 368.401 1.854 20 5 FDBDHN C[NH+](C)[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821583505 599518370 /nfs/dbraw/zinc/51/83/70/599518370.db2.gz XYDPHLHIHBYGOC-LBPRGKRZSA-N 0 3 368.401 1.854 20 5 FDBDHN C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000273507467 674543934 /nfs/dbraw/zinc/54/39/34/674543934.db2.gz ZSOPHBNTHBTVCR-OLZOCXBDSA-N 0 3 353.444 1.583 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000277620435 674981472 /nfs/dbraw/zinc/98/14/72/674981472.db2.gz QXPNVMCYMQQGFA-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2CCN(C3CC3)CC2)cc1 ZINC000277637008 674985842 /nfs/dbraw/zinc/98/58/42/674985842.db2.gz CGHYHVRIHXZUPU-UHFFFAOYSA-N 0 3 367.471 1.931 20 5 FDBDHN COc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008117373 670568957 /nfs/dbraw/zinc/56/89/57/670568957.db2.gz ITQRYVQQDFOIGB-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(NS(C)(=O)=O)c1 ZINC000119005182 671669077 /nfs/dbraw/zinc/66/90/77/671669077.db2.gz NRGKRDMAHIXOLB-LLVKDONJSA-N 0 3 353.404 1.514 20 5 FDBDHN Cc1cc(F)cc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176232095 672112381 /nfs/dbraw/zinc/11/23/81/672112381.db2.gz ULUUPNSKQBDWQY-UHFFFAOYSA-N 0 3 352.410 1.752 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000290266353 676193984 /nfs/dbraw/zinc/19/39/84/676193984.db2.gz OTPHHUAEWQLLRS-MRVPVSSYSA-N 0 3 373.207 1.362 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)C(C)(C)C ZINC000298633707 676484121 /nfs/dbraw/zinc/48/41/21/676484121.db2.gz PATMTZGNAYREGL-UHFFFAOYSA-N 0 3 352.391 1.518 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000299367127 676531050 /nfs/dbraw/zinc/53/10/50/676531050.db2.gz QAKNTFHWIHTWQH-UONOGXRCSA-N 0 3 350.419 1.310 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000299367131 676531059 /nfs/dbraw/zinc/53/10/59/676531059.db2.gz QAKNTFHWIHTWQH-ZIAGYGMSSA-N 0 3 350.419 1.310 20 5 FDBDHN COC(=O)[C@@H]1CSCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412085308 679154008 /nfs/dbraw/zinc/15/40/08/679154008.db2.gz UKEKKFGTWGTKGP-QWHCGFSZSA-N 0 3 370.427 1.173 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000420976867 680582852 /nfs/dbraw/zinc/58/28/52/680582852.db2.gz UEFXOXQVGZHQNP-HUUCEWRRSA-N 0 3 357.432 1.108 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000421700457 680672522 /nfs/dbraw/zinc/67/25/22/680672522.db2.gz FADHAGWAXFGDBI-GFCCVEGCSA-N 0 3 366.443 1.338 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000439213265 681913350 /nfs/dbraw/zinc/91/33/50/681913350.db2.gz UUNJBYKOYLYPPL-UHFFFAOYSA-N 0 3 350.375 1.096 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000514671228 689750658 /nfs/dbraw/zinc/75/06/58/689750658.db2.gz XHWMEPJNEWJFNS-PBHICJAKSA-N 0 3 351.403 1.622 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000517373814 690060983 /nfs/dbraw/zinc/06/09/83/690060983.db2.gz QKMBDNBEICHPKW-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000520555669 690333844 /nfs/dbraw/zinc/33/38/44/690333844.db2.gz KYCODWCCNCJCEF-INIZCTEOSA-N 0 3 351.403 1.543 20 5 FDBDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164619053 719131114 /nfs/dbraw/zinc/13/11/14/719131114.db2.gz BYKYBPZHBAPIFA-SECBINFHSA-N 0 3 350.709 1.139 20 5 FDBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(N)n4)C[C@H]3C2)cn1 ZINC001164773228 721156920 /nfs/dbraw/zinc/15/69/20/721156920.db2.gz XGRCOPGAYUMORE-ZIAGYGMSSA-N 0 3 357.418 1.264 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632449 771282812 /nfs/dbraw/zinc/28/28/12/771282812.db2.gz QZKUITFYEMTZGR-RDJZCZTQSA-N 0 3 372.425 1.546 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000261810133 774457168 /nfs/dbraw/zinc/45/71/68/774457168.db2.gz RLWJVLMEVJMTQQ-QGZVFWFLSA-N 0 3 355.398 1.883 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCN(C2CC2)CC1 ZINC000376467617 787924717 /nfs/dbraw/zinc/92/47/17/787924717.db2.gz GHGWGHPYKVINNT-UHFFFAOYSA-N 0 3 358.402 1.851 20 5 FDBDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472692638 791319473 /nfs/dbraw/zinc/31/94/73/791319473.db2.gz NCVRFAUKQXYDIB-UHFFFAOYSA-N 0 3 366.393 1.911 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000415713254 792858213 /nfs/dbraw/zinc/85/82/13/792858213.db2.gz RSAIYDPBRKZECS-INIZCTEOSA-N 0 3 368.393 1.845 20 5 FDBDHN COC(=O)C1=C(C)O[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000759857607 795920410 /nfs/dbraw/zinc/92/04/10/795920410.db2.gz VSMZBZCELWXVFX-TZMCWYRMSA-N 0 3 362.386 1.712 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000760005511 810963275 /nfs/dbraw/zinc/96/32/75/810963275.db2.gz QBGVFDQLFTYPQY-UHFFFAOYSA-N 0 3 371.397 1.781 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729254523 811080431 /nfs/dbraw/zinc/08/04/31/811080431.db2.gz DXSULRDFOOATRX-CQSZACIVSA-N 0 3 350.419 1.501 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000280089114 811712279 /nfs/dbraw/zinc/71/22/79/811712279.db2.gz WKNJTKMDMFJOPJ-RDJZCZTQSA-N 0 3 355.398 1.934 20 5 FDBDHN CCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280449635 811819941 /nfs/dbraw/zinc/81/99/41/811819941.db2.gz DQAXZWTUKDZFLO-UHFFFAOYSA-N 0 3 364.446 1.426 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000505392942 815507952 /nfs/dbraw/zinc/50/79/52/815507952.db2.gz ADKPMEZXDUVMSS-INIZCTEOSA-N 0 3 372.429 1.427 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](CO)CN2CCCCC2)c1F ZINC000413794145 814170468 /nfs/dbraw/zinc/17/04/68/814170468.db2.gz CIAQEUHRPQWIHN-GFCCVEGCSA-N 0 3 369.393 1.248 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000413800198 814184670 /nfs/dbraw/zinc/18/46/70/814184670.db2.gz PSWUQVPSZOAZQT-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000421787768 814313096 /nfs/dbraw/zinc/31/30/96/814313096.db2.gz VGZXXSYXPIHSPN-INIZCTEOSA-N 0 3 374.441 1.590 20 5 FDBDHN CN1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000367088956 814318884 /nfs/dbraw/zinc/31/88/84/814318884.db2.gz FUXIASPRGVFHFU-HNNXBMFYSA-N 0 3 358.402 1.036 20 5 FDBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000515870461 816489892 /nfs/dbraw/zinc/48/98/92/816489892.db2.gz ZFILVDLKRVKSDN-KBPBESRZSA-N 0 3 371.372 1.544 20 5 FDBDHN COc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000506009843 816979288 /nfs/dbraw/zinc/97/92/88/816979288.db2.gz NAAKDWXPUTWMPT-OAHLLOKOSA-N 0 3 374.401 1.148 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000729430953 817604803 /nfs/dbraw/zinc/60/48/03/817604803.db2.gz BULZRXVNMJISOH-AWEZNQCLSA-N 0 3 369.393 1.682 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)n1 ZINC000427381603 818803683 /nfs/dbraw/zinc/80/36/83/818803683.db2.gz IKMACUYOJHBICJ-UHFFFAOYSA-N 0 3 374.401 1.932 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000440923044 828402037 /nfs/dbraw/zinc/40/20/37/828402037.db2.gz FHMQVENPFIATMS-JKOKRWQUSA-N 0 3 364.450 1.569 20 5 FDBDHN CN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CCCN(C)C1 ZINC000895492517 822624281 /nfs/dbraw/zinc/62/42/81/822624281.db2.gz WRCOQMOFPDUYTQ-HNNXBMFYSA-N 0 3 358.402 1.401 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000896824476 825042146 /nfs/dbraw/zinc/04/21/46/825042146.db2.gz KBHYZQWBEYYXKR-UHFFFAOYSA-N 0 3 374.445 1.894 20 5 FDBDHN C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840672953 825411012 /nfs/dbraw/zinc/41/10/12/825411012.db2.gz PLGZFYPVBFCHLC-NUEKZKHPSA-N 0 3 361.398 1.100 20 5 FDBDHN CCOC(=O)[C@@]1(COC)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281527531 825976339 /nfs/dbraw/zinc/97/63/39/825976339.db2.gz VYOIEWPTVRTQHM-WMZOPIPTSA-N 0 3 366.414 1.920 20 5 FDBDHN CCOc1cc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450889300 830168067 /nfs/dbraw/zinc/16/80/67/830168067.db2.gz CNJWXRNKDFGYAO-AWEZNQCLSA-N 0 3 362.430 1.784 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532322164 831135281 /nfs/dbraw/zinc/13/52/81/831135281.db2.gz KSIRXAJTPDYHQL-CZUORRHYSA-N 0 3 374.445 1.304 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428549610 832877016 /nfs/dbraw/zinc/87/70/16/832877016.db2.gz QEMUCSNYUCCSDX-INIZCTEOSA-N 0 3 373.413 1.695 20 5 FDBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000455501536 836095009 /nfs/dbraw/zinc/09/50/09/836095009.db2.gz JUHDTBVGKBCUNB-UHFFFAOYSA-N 0 3 358.402 1.631 20 5 FDBDHN CNc1nc(C(=O)NCC(C)(C)N2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000455510195 836099978 /nfs/dbraw/zinc/09/99/78/836099978.db2.gz AGFRWRUMXIEQIK-UHFFFAOYSA-N 0 3 365.434 1.651 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000907548097 854346775 /nfs/dbraw/zinc/34/67/75/854346775.db2.gz MDJHYRNTTHHYSO-XJKSGUPXSA-N 0 3 353.444 1.729 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000907556068 854357112 /nfs/dbraw/zinc/35/71/12/854357112.db2.gz XMSSCPUADAHFOA-ZUZCIYMTSA-N 0 3 373.406 1.315 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c1C ZINC000916663683 882012713 /nfs/dbraw/zinc/01/27/13/882012713.db2.gz LEKSYDOEQVARLY-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000152494874 871163986 /nfs/dbraw/zinc/16/39/86/871163986.db2.gz NDSHYSUUOVYHQO-UHFFFAOYSA-N 0 3 372.429 1.142 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)c2ccccc2F)cc1 ZINC000914573109 874268723 /nfs/dbraw/zinc/26/87/23/874268723.db2.gz AROSGNGHXCCPMB-ULQDDVLXSA-N 0 3 350.346 1.451 20 5 FDBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000272277363 876922172 /nfs/dbraw/zinc/92/21/72/876922172.db2.gz DDFQRCKAYOFXJV-ZDUSSCGKSA-N 0 3 370.400 1.686 20 5 FDBDHN CC(C)(C)c1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643391 884602369 /nfs/dbraw/zinc/60/23/69/884602369.db2.gz NODDRQDYOXKVBH-FDYHWXHSSA-N 0 3 365.434 1.549 20 5 FDBDHN Cc1nnsc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034816895 885147873 /nfs/dbraw/zinc/14/78/73/885147873.db2.gz VFJQTUBTMGPLIK-ZIAGYGMSSA-N 0 3 361.427 1.418 20 5 FDBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429301327 887876564 /nfs/dbraw/zinc/87/65/64/887876564.db2.gz LLUHXFNWLPVLNI-CQSZACIVSA-N 0 3 353.378 1.947 20 5 FDBDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000273064346 911025934 /nfs/dbraw/zinc/02/59/34/911025934.db2.gz YUWQHIQUFQCWLA-LBPRGKRZSA-N 0 3 370.413 1.864 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000730456864 916833325 /nfs/dbraw/zinc/83/33/25/916833325.db2.gz LMYFBCVJPNLFLI-DZGCQCFKSA-N 0 3 356.386 1.329 20 5 FDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000734467307 923373437 /nfs/dbraw/zinc/37/34/37/923373437.db2.gz IFPGFHYKSMVAFH-SVEBXFOSSA-N 0 3 374.441 1.131 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN(C2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169043512 928236547 /nfs/dbraw/zinc/23/65/47/928236547.db2.gz GXVSGSXKJDEWLT-CABCVRRESA-N 0 3 368.478 1.669 20 5 FDBDHN Cn1c2cc(NC[C@@H]3CN4CCC[C@H]4CO3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804397444 938423147 /nfs/dbraw/zinc/42/31/47/938423147.db2.gz XZVNCVPGIYAKIA-NWDGAFQWSA-N 0 3 361.402 1.060 20 5 FDBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000808171552 940528118 /nfs/dbraw/zinc/52/81/18/940528118.db2.gz KDPQJULQNUQSRC-CYBMUJFWSA-N 0 3 350.419 1.237 20 5 FDBDHN CC(COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000813099942 941325154 /nfs/dbraw/zinc/32/51/54/941325154.db2.gz HYJOAFOQLJUBSH-SECBINFHSA-N 0 3 354.363 1.525 20 5 FDBDHN COc1nn(C)c2nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c12 ZINC000813102838 941326005 /nfs/dbraw/zinc/32/60/05/941326005.db2.gz JZFCBTDBEIVHPK-VIFPVBQESA-N 0 3 350.375 1.735 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813104366 941326258 /nfs/dbraw/zinc/32/62/58/941326258.db2.gz ZGJXPYBWFFHYEO-QMMMGPOBSA-N 0 3 350.780 1.412 20 5 FDBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC ZINC000813104344 941326396 /nfs/dbraw/zinc/32/63/96/941326396.db2.gz YTWBZMJVQANWEX-LLVKDONJSA-N 0 3 374.415 1.548 20 5 FDBDHN CC(COC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[N+](=O)[O-] ZINC000813109660 941334331 /nfs/dbraw/zinc/33/43/31/941334331.db2.gz VAOVEGVQJBFOOO-SKDRFNHKSA-N 0 3 369.761 1.753 20 5 FDBDHN CC(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813109353 941334784 /nfs/dbraw/zinc/33/47/84/941334784.db2.gz JACXWGOESDDGLI-RYUDHWBXSA-N 0 3 374.390 1.435 20 5 FDBDHN CC(COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813112656 941335797 /nfs/dbraw/zinc/33/57/97/941335797.db2.gz SJMINCGHEWVPBD-VIFPVBQESA-N 0 3 350.780 1.169 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813114317 941336456 /nfs/dbraw/zinc/33/64/56/941336456.db2.gz PPPYLXGYJAREOO-ZDUSSCGKSA-N 0 3 358.416 1.489 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Br)cc2F)c1 ZINC000819053387 943396714 /nfs/dbraw/zinc/39/67/14/943396714.db2.gz JFCIGCZHBAGJGJ-GFCCVEGCSA-N 0 3 373.182 1.844 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC001195488827 970988981 /nfs/dbraw/zinc/98/89/81/970988981.db2.gz UCTPBSWWBODNCH-CYBMUJFWSA-N 0 3 357.432 1.232 20 5 FDBDHN O=C1[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1cccnc1 ZINC000819224449 943496444 /nfs/dbraw/zinc/49/64/44/943496444.db2.gz FNQISPYZVLUOHV-IRXDYDNUSA-N 0 3 356.382 1.808 20 5 FDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819721212 943706699 /nfs/dbraw/zinc/70/66/99/943706699.db2.gz YKAGVQGCMABUQA-MEDUHNTESA-N 0 3 364.377 1.859 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000820263484 943985687 /nfs/dbraw/zinc/98/56/87/943985687.db2.gz GBPHYCLYDKTLJH-UFBFGSQYSA-N 0 3 369.219 1.716 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844034171 947633189 /nfs/dbraw/zinc/63/31/89/947633189.db2.gz KBMAHHRNWAZUEZ-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN CC([C@H](OC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881279 950057597 /nfs/dbraw/zinc/05/75/97/950057597.db2.gz LEHWVQBMJCVQMX-WQAKAFBOSA-N 0 3 360.363 1.109 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148882112 952822404 /nfs/dbraw/zinc/82/24/04/952822404.db2.gz LKKJPTGGRMFTOJ-AWEZNQCLSA-N 0 3 362.430 1.892 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148882340 952823741 /nfs/dbraw/zinc/82/37/41/952823741.db2.gz YHQGKVGYNGVFAE-SNVBAGLBSA-N 0 3 371.825 1.687 20 5 FDBDHN COC(=O)C[C@@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001197104387 972098728 /nfs/dbraw/zinc/09/87/28/972098728.db2.gz CJWCTTLZYCJDMC-MRXNPFEDSA-N 0 3 370.427 1.690 20 5 FDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC001197844919 972469218 /nfs/dbraw/zinc/46/92/18/972469218.db2.gz PTVHZQHLNOAUOT-XEZPLFJOSA-N 0 3 351.403 1.953 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001183886120 963326417 /nfs/dbraw/zinc/32/64/17/963326417.db2.gz QNKIIJIKPTXHIN-SUNKGSAMSA-N 0 3 355.416 1.335 20 5 FDBDHN Cc1noc(CNCCCN(CC2CCCC2)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001177314065 963756000 /nfs/dbraw/zinc/75/60/00/963756000.db2.gz YXDJSOFCKSJVTD-HUUCEWRRSA-N 0 3 365.434 1.542 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468602 963950252 /nfs/dbraw/zinc/95/02/52/963950252.db2.gz ZHDCSGGRJDZFQA-OLZOCXBDSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468602 963950253 /nfs/dbraw/zinc/95/02/53/963950253.db2.gz ZHDCSGGRJDZFQA-OLZOCXBDSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1noc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)c1[N+](=O)[O-] ZINC000853888975 968404646 /nfs/dbraw/zinc/40/46/46/968404646.db2.gz LNLLXBZTUUZVOY-HTRCEHHLSA-N 0 3 351.237 1.392 20 5 FDBDHN C/C(=C\C(=O)N1CC(CN2CCN(C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854644601 969050265 /nfs/dbraw/zinc/05/02/65/969050265.db2.gz PWHMZPOETZPHLT-RVDMUPIBSA-N 0 3 358.442 1.704 20 5 FDBDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000867581176 976419929 /nfs/dbraw/zinc/41/99/29/976419929.db2.gz JNJGCRJUGGTQIQ-UHFFFAOYSA-N 0 3 371.459 1.574 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCN3C)C2)cc1F ZINC000867808451 976907553 /nfs/dbraw/zinc/90/75/53/976907553.db2.gz HXWXUKTUEMLQKX-WCQYABFASA-N 0 3 357.407 1.757 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000867808364 976907818 /nfs/dbraw/zinc/90/78/18/976907818.db2.gz MXWLMIGIONDPAK-DGCLKSJQSA-N 0 3 357.407 1.757 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000849566833 977763164 /nfs/dbraw/zinc/76/31/64/977763164.db2.gz DOAHCVMEQKBHBF-ZWKOTPCHSA-N 0 3 371.441 1.723 20 5 FDBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC001202611476 982663571 /nfs/dbraw/zinc/66/35/71/982663571.db2.gz IYJGFQWYNLURON-HZMBPMFUSA-N 0 3 362.329 1.641 20 5 FDBDHN COC(=O)[C@@]1(OC)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000859559173 982917643 /nfs/dbraw/zinc/91/76/43/982917643.db2.gz QZSCPQMGZGWCLA-MRXNPFEDSA-N 0 3 369.349 1.326 20 5 FDBDHN COc1cc(OCC(=O)OC[C@]2(C)C[C@@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861344575 983695666 /nfs/dbraw/zinc/69/56/66/983695666.db2.gz QGQDJSYUMXJKHO-DYVFJYSZSA-N 0 3 368.386 1.635 20 5 FDBDHN Cn1cc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000886417004 986188135 /nfs/dbraw/zinc/18/81/35/986188135.db2.gz FKUPHQFEKSNLRQ-GOSISDBHSA-N 0 3 359.430 1.445 20 5 FDBDHN Cc1nn(C)c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000299163929 988185711 /nfs/dbraw/zinc/18/57/11/988185711.db2.gz QJZUGMQFEJEPCG-UHFFFAOYSA-N 0 3 361.402 1.966 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000293948398 988267202 /nfs/dbraw/zinc/26/72/02/988267202.db2.gz DFWIMULKMDOGID-UHFFFAOYSA-N 0 3 370.373 1.186 20 5 FDBDHN C[C@@H]1CN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000363042742 988863796 /nfs/dbraw/zinc/86/37/96/988863796.db2.gz ORPHZCWAFDWBML-ZIAGYGMSSA-N 0 3 365.434 1.139 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363659318 989372880 /nfs/dbraw/zinc/37/28/80/989372880.db2.gz HPANXTZVYGENPA-CVEARBPZSA-N 0 3 374.441 1.788 20 5 FDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364712370 989729541 /nfs/dbraw/zinc/72/95/41/989729541.db2.gz DOXHJRBBMYZCJU-YOEHRIQHSA-N 0 3 358.402 1.338 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298429961 990109432 /nfs/dbraw/zinc/10/94/32/990109432.db2.gz UXKNZGKTXIFHBN-UHFFFAOYSA-N 0 3 374.441 1.638 20 5 FDBDHN CC(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000371505477 990485605 /nfs/dbraw/zinc/48/56/05/990485605.db2.gz JLQGARXKKYBLJO-QGZVFWFLSA-N 0 3 359.430 1.883 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874835903 990558546 /nfs/dbraw/zinc/55/85/46/990558546.db2.gz BTHVRIHBVTZVDW-MJBXVCDLSA-N 0 3 364.450 1.522 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876475548 992648366 /nfs/dbraw/zinc/64/83/66/992648366.db2.gz MBKJMDYDKJMWFF-KBXCAEBGSA-N 0 3 365.430 1.504 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(C(C)C)CC1 ZINC000469196487 993789973 /nfs/dbraw/zinc/78/99/73/993789973.db2.gz HIALOLLSCWCAEW-AWEZNQCLSA-N 0 3 366.466 1.770 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000879993130 995527687 /nfs/dbraw/zinc/52/76/87/995527687.db2.gz NTFADSBJQKRVKZ-LLVKDONJSA-N 0 3 359.785 1.503 20 5 FDBDHN CC(C)(C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000889769982 998632722 /nfs/dbraw/zinc/63/27/22/998632722.db2.gz XMGOVZOWCQNGAA-DLBZAZTESA-N 0 3 361.442 1.930 20 5 FDBDHN C[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000271667857 999723460 /nfs/dbraw/zinc/72/34/60/999723460.db2.gz HIZICPVYCQNAAS-HUUCEWRRSA-N 0 3 363.462 1.839 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000285020711 999894989 /nfs/dbraw/zinc/89/49/89/999894989.db2.gz OHJNTXHAILAUIH-JKSUJKDBSA-N 0 3 363.414 1.604 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1 ZINC000285020705 999895029 /nfs/dbraw/zinc/89/50/29/999895029.db2.gz OHJNTXHAILAUIH-HZPDHXFCSA-N 0 3 363.414 1.604 20 5 FDBDHN Cc1cc(=O)c(C(=O)N[C@@H](C)CN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000286883133 999953041 /nfs/dbraw/zinc/95/30/41/999953041.db2.gz FLSYRVJEBFGLQW-NSHDSACASA-N 0 3 359.386 1.129 20 5 FDBDHN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000289258399 1000085524 /nfs/dbraw/zinc/08/55/24/1000085524.db2.gz QKZGXDSULCAXTB-XJKSGUPXSA-N 0 3 360.418 1.782 20 5 FDBDHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000928124157 1001401432 /nfs/dbraw/zinc/40/14/32/1001401432.db2.gz GZKLYWGUVPGULK-AAVRWANBSA-N 0 3 357.332 1.831 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931915252 1004604366 /nfs/dbraw/zinc/60/43/66/1004604366.db2.gz OINBLPLYKJBRSM-QWRGUYRKSA-N 0 3 352.288 1.519 20 5 FDBDHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934260621 1005724589 /nfs/dbraw/zinc/72/45/89/1005724589.db2.gz BELURFKCHLUVKK-DLBZAZTESA-N 0 3 374.441 1.015 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])c2)CC1 ZINC000935445452 1005912696 /nfs/dbraw/zinc/91/26/96/1005912696.db2.gz DGUYCXMQJDBGHK-UHFFFAOYSA-N 0 3 372.429 1.880 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000935984023 1006206365 /nfs/dbraw/zinc/20/63/65/1006206365.db2.gz KZEFJDAHQANCHJ-HUUCEWRRSA-N 0 3 351.378 1.334 20 5 FDBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000194879954 178229555 /nfs/dbraw/zinc/22/95/55/178229555.db2.gz XNTFWEMTBLHBGH-KRWDZBQOSA-N 0 3 351.403 1.668 20 5 FDBDHN CS(=O)(=O)c1cc(C(=O)N[C@@H](CN)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000237424245 178313695 /nfs/dbraw/zinc/31/36/95/178313695.db2.gz MWHSTYRUTOKFRL-HNNXBMFYSA-N 0 3 369.443 1.636 20 5 FDBDHN C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000237423646 178314250 /nfs/dbraw/zinc/31/42/50/178314250.db2.gz QLSPPDYBFJOLNR-NXEZZACHSA-N 0 3 354.794 1.187 20 5 FDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 ZINC000237899276 178337116 /nfs/dbraw/zinc/33/71/16/178337116.db2.gz QNAWKBJGQXVAEE-UHFFFAOYSA-N 0 3 358.320 1.754 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000516942226 539333439 /nfs/dbraw/zinc/33/34/39/539333439.db2.gz IBVJRRYOMMHILV-UHFFFAOYSA-N 0 3 374.397 1.625 20 5 FDBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](N2CCCCC2)C1 ZINC000518067619 539394699 /nfs/dbraw/zinc/39/46/99/539394699.db2.gz ZEZPCNLUDJYZEW-LBPRGKRZSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000519141397 539471111 /nfs/dbraw/zinc/47/11/11/539471111.db2.gz DFWSBZAAYRWFNZ-IJEWVQPXSA-N 0 3 353.419 1.033 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000264125783 179032417 /nfs/dbraw/zinc/03/24/17/179032417.db2.gz XUNSKYSQMPMNLP-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN CCN(CC)CCN(CCOC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264279900 179067635 /nfs/dbraw/zinc/06/76/35/179067635.db2.gz QGKJZODYIPHCCP-UHFFFAOYSA-N 0 3 366.418 1.350 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000522118454 539542798 /nfs/dbraw/zinc/54/27/98/539542798.db2.gz VANPLZMUVGVEJS-UHFFFAOYSA-N 0 3 372.429 1.270 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000264555275 179134326 /nfs/dbraw/zinc/13/43/26/179134326.db2.gz LDRZNWWYVOTYCT-CQSZACIVSA-N 0 3 352.391 1.422 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264662211 179160432 /nfs/dbraw/zinc/16/04/32/179160432.db2.gz YZBFIWVMDUYGJN-ZDUSSCGKSA-N 0 3 368.459 1.568 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264761904 179191769 /nfs/dbraw/zinc/19/17/69/179191769.db2.gz MXPHXKNNJIHLON-LBPRGKRZSA-N 0 3 374.397 1.181 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000265030786 179271110 /nfs/dbraw/zinc/27/11/10/179271110.db2.gz LARMATSZEBPGNA-UHFFFAOYSA-N 0 3 366.418 1.196 20 5 FDBDHN COC(=O)[C@H]1CC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000265100310 179286663 /nfs/dbraw/zinc/28/66/63/179286663.db2.gz XHACDBYPDYXSLS-GDBMZVCRSA-N 0 3 364.398 1.610 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CCOCC1 ZINC000265128441 179293442 /nfs/dbraw/zinc/29/34/42/179293442.db2.gz XUUHKRACJQKKPS-UHFFFAOYSA-N 0 3 364.402 1.069 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265509064 179394199 /nfs/dbraw/zinc/39/41/99/179394199.db2.gz FMKOFGITABVRMM-ZDUSSCGKSA-N 0 3 352.391 1.123 20 5 FDBDHN CCN1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268520529 180104992 /nfs/dbraw/zinc/10/49/92/180104992.db2.gz ZZLDEMRYNVABSG-UHFFFAOYSA-N 0 3 358.240 1.802 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCNCC3)cn2)c1 ZINC000269150635 180227840 /nfs/dbraw/zinc/22/78/40/180227840.db2.gz ALGFAVIMZOWIHA-UHFFFAOYSA-N 0 3 357.370 1.660 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269625746 180343544 /nfs/dbraw/zinc/34/35/44/180343544.db2.gz COLUDMHWEVVWBH-LXZKKBNFSA-N 0 3 365.430 1.491 20 5 FDBDHN COC(=O)COc1ccc(CNCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530493961 539985529 /nfs/dbraw/zinc/98/55/29/539985529.db2.gz YWJSUPDCEQAXLB-ZDUSSCGKSA-N 0 3 351.403 1.578 20 5 FDBDHN O=C(CCN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000274213492 181047628 /nfs/dbraw/zinc/04/76/28/181047628.db2.gz NGZZVFLMLPJETK-CYBMUJFWSA-N 0 3 361.402 1.459 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274535937 181116478 /nfs/dbraw/zinc/11/64/78/181116478.db2.gz FMJPCQSHRFZNJX-OAHLLOKOSA-N 0 3 363.462 1.463 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000531029053 540077750 /nfs/dbraw/zinc/07/77/50/540077750.db2.gz SMQVYYHHNVEDEJ-UHFFFAOYSA-N 0 3 366.393 1.264 20 5 FDBDHN CSC[C@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000275197052 181259266 /nfs/dbraw/zinc/25/92/66/181259266.db2.gz PXPIRFIPVPWFTA-CYBMUJFWSA-N 0 3 365.459 1.707 20 5 FDBDHN COCCO[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000534130153 540327914 /nfs/dbraw/zinc/32/79/14/540327914.db2.gz QNPXRUKWHOPIDI-RDJZCZTQSA-N 0 3 354.403 1.462 20 5 FDBDHN Cc1sc(C(=O)NCCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000535381917 540469936 /nfs/dbraw/zinc/46/99/36/540469936.db2.gz GLVVUEBNPDSLRG-UHFFFAOYSA-N 0 3 370.475 1.085 20 5 FDBDHN CN(C)CCOCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542457326 541408943 /nfs/dbraw/zinc/40/89/43/541408943.db2.gz DYNJTAQZLMVSRS-UHFFFAOYSA-N 0 3 360.208 1.665 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542958220 541509156 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/nfs/dbraw/zinc/34/98/21/172349821.db2.gz WFLHSLPAEHHQCN-UHFFFAOYSA-N 0 3 355.441 1.962 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000103122829 172359457 /nfs/dbraw/zinc/35/94/57/172359457.db2.gz JTARWFWHOYJKHC-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN O=[N+]([O-])c1cc(CN2CC[C@H](CN3CCOCC3)C2)c2c(c1)COCO2 ZINC000129579661 173143837 /nfs/dbraw/zinc/14/38/37/173143837.db2.gz WHCMKAYCZRBDRL-CQSZACIVSA-N 0 3 363.414 1.615 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000136037828 173355932 /nfs/dbraw/zinc/35/59/32/173355932.db2.gz QWEFLHXLBRMZBN-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN CCN1CCN(Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000136037828 173355934 /nfs/dbraw/zinc/35/59/34/173355934.db2.gz QWEFLHXLBRMZBN-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150778181 173380889 /nfs/dbraw/zinc/38/08/89/173380889.db2.gz AXNXTHAPSHJDFE-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000150963207 173386902 /nfs/dbraw/zinc/38/69/02/173386902.db2.gz FJEPZHDDRJZYID-AWEZNQCLSA-N 0 3 360.418 1.611 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170868287 173844717 /nfs/dbraw/zinc/84/47/17/173844717.db2.gz VQMORNLJLRBFED-WBVHZDCISA-N 0 3 374.441 1.670 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000178153113 174175191 /nfs/dbraw/zinc/17/51/91/174175191.db2.gz MHZJWKYFHIYVEG-LBPRGKRZSA-N 0 3 352.416 1.035 20 5 FDBDHN COc1cc(C)c([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000179636371 258355112 /nfs/dbraw/zinc/35/51/12/258355112.db2.gz QYTBSELUXUSNBD-GXTWGEPZSA-N 0 3 364.402 1.829 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180590240 258371186 /nfs/dbraw/zinc/37/11/86/258371186.db2.gz HQGDLPHBCHIWKN-ZDUSSCGKSA-N 0 3 360.208 1.400 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000173635232 258306024 /nfs/dbraw/zinc/30/60/24/258306024.db2.gz OLOMFGALEHWVKA-GOEBONIOSA-N 0 3 374.397 1.761 20 5 FDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173992416 258316747 /nfs/dbraw/zinc/31/67/47/258316747.db2.gz SAEJXSORXIFDEU-ZDUSSCGKSA-N 0 3 357.432 1.708 20 5 FDBDHN Cc1cc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000178726716 258333506 /nfs/dbraw/zinc/33/35/06/258333506.db2.gz MMSFPEWLKYZZCO-CQSZACIVSA-N 0 3 371.459 1.418 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCN(c3ccccn3)CC2)c1 ZINC000183850336 258380934 /nfs/dbraw/zinc/38/09/34/258380934.db2.gz JMROQTWQZNDBBM-KRWDZBQOSA-N 0 3 372.425 1.942 20 5 FDBDHN NS(=O)(=O)c1cccc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000273447336 258450912 /nfs/dbraw/zinc/45/09/12/258450912.db2.gz FCPORCIGESBELE-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](O)CN1CCCCC1 ZINC000279627942 258569688 /nfs/dbraw/zinc/56/96/88/258569688.db2.gz IHIGMMHHRCMOMU-LBPRGKRZSA-N 0 3 373.812 1.893 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000556851089 544214575 /nfs/dbraw/zinc/21/45/75/544214575.db2.gz MKAMIEWELFKUOF-INIZCTEOSA-N 0 3 351.428 1.503 20 5 FDBDHN COC(=O)C1CCN(CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000557493778 544299663 /nfs/dbraw/zinc/29/96/63/544299663.db2.gz BULAOFOVRWRAOV-UHFFFAOYSA-N 0 3 364.402 1.381 20 5 FDBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000558749707 544524879 /nfs/dbraw/zinc/52/48/79/544524879.db2.gz SJJPZQANSVPVKK-UHFFFAOYSA-N 0 3 353.448 1.799 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000559198304 544605518 /nfs/dbraw/zinc/60/55/18/544605518.db2.gz MBSAMFZGFVDGGA-AWEZNQCLSA-N 0 3 364.450 1.052 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(N2CN=NC2=O)CC1 ZINC000559691354 544765653 /nfs/dbraw/zinc/76/56/53/544765653.db2.gz PTPWOBIEGRVLPS-UHFFFAOYSA-N 0 3 374.401 1.866 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299503348 259002225 /nfs/dbraw/zinc/00/22/25/259002225.db2.gz BRTDPHDQABWYFW-ZYHUDNBSSA-N 0 3 368.821 1.985 20 5 FDBDHN CN(C)C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301289627 259025152 /nfs/dbraw/zinc/02/51/52/259025152.db2.gz SRHMQNGMVSXOLU-ZDUSSCGKSA-N 0 3 357.414 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000325407260 259049523 /nfs/dbraw/zinc/04/95/23/259049523.db2.gz JAXMLUYZIMXYHG-LBPRGKRZSA-N 0 3 357.407 1.901 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000367241884 260014628 /nfs/dbraw/zinc/01/46/28/260014628.db2.gz UGBUOEZCDIQVFM-STQMWFEESA-N 0 3 365.434 1.290 20 5 FDBDHN Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367400099 260035826 /nfs/dbraw/zinc/03/58/26/260035826.db2.gz SPQKYMBNLGGKDN-LBPRGKRZSA-N 0 3 364.402 1.235 20 5 FDBDHN COCCCN1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367420870 260039093 /nfs/dbraw/zinc/03/90/93/260039093.db2.gz WARLPTYUKUSTCL-UHFFFAOYSA-N 0 3 361.402 1.792 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000367763728 260087991 /nfs/dbraw/zinc/08/79/91/260087991.db2.gz PQLSNHVYRQLXHF-YGRLFVJLSA-N 0 3 366.805 1.739 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368616703 260210243 /nfs/dbraw/zinc/21/02/43/260210243.db2.gz FAKLUXKVOGISHT-HZPDHXFCSA-N 0 3 362.430 1.642 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](n3cc4ccccc4n3)C2)c1 ZINC000371644412 260743167 /nfs/dbraw/zinc/74/31/67/260743167.db2.gz BFONITAINXBMFB-ZBFHGGJFSA-N 0 3 356.386 1.449 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000371685789 260750738 /nfs/dbraw/zinc/75/07/38/260750738.db2.gz ORSRJFLCSWVTJA-QMTHXVAHSA-N 0 3 366.805 1.739 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000373921740 261052488 /nfs/dbraw/zinc/05/24/88/261052488.db2.gz OKXFQQFANOKCCG-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN CCCN1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374000899 261064042 /nfs/dbraw/zinc/06/40/42/261064042.db2.gz GEMCMTCMVZFQBI-AWEZNQCLSA-N 0 3 362.430 1.657 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375024872 261250348 /nfs/dbraw/zinc/25/03/48/261250348.db2.gz YJFQBTCSJCLJQK-SUMWQHHRSA-N 0 3 362.430 1.958 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375236691 261294809 /nfs/dbraw/zinc/29/48/09/261294809.db2.gz HZHYSPWGMWIHAE-UHFFFAOYSA-N 0 3 350.467 1.178 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375339455 261317792 /nfs/dbraw/zinc/31/77/92/261317792.db2.gz ZROWUUJEKICQLM-BLLLJJGKSA-N 0 3 366.805 1.834 20 5 FDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375626941 261384282 /nfs/dbraw/zinc/38/42/82/261384282.db2.gz ZPVVTNIJWMZKPI-CJNGLKHVSA-N 0 3 353.444 1.983 20 5 FDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CN2CCN1CCC2 ZINC000378302050 262004694 /nfs/dbraw/zinc/00/46/94/262004694.db2.gz STTDTQVSIVYLCH-OAHLLOKOSA-N 0 3 352.822 1.597 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CCN(C)CC1 ZINC000378366447 262012465 /nfs/dbraw/zinc/01/24/65/262012465.db2.gz BJFBQSFWJYCUIP-LBPRGKRZSA-N 0 3 352.460 1.897 20 5 FDBDHN CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000270659829 674246240 /nfs/dbraw/zinc/24/62/40/674246240.db2.gz OQFQJWVBDHGERK-CABCVRRESA-N 0 3 352.460 1.819 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000610330720 492242779 /nfs/dbraw/zinc/24/27/79/492242779.db2.gz AEATZOMVLQZJSR-UHFFFAOYSA-N 0 3 362.390 1.553 20 5 FDBDHN CCN1CCC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000043292654 521847609 /nfs/dbraw/zinc/84/76/09/521847609.db2.gz ZCGURNOPKJUNPM-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN CN1CCN(CC2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000057151646 522015449 /nfs/dbraw/zinc/01/54/49/522015449.db2.gz ZCWHIMYXALXKIP-UHFFFAOYSA-N 0 3 364.475 1.768 20 5 FDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000060244346 522356762 /nfs/dbraw/zinc/35/67/62/522356762.db2.gz JIEPMOCCOFQYNR-MRXNPFEDSA-N 0 3 353.444 1.985 20 5 FDBDHN CC(C)(C)N1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063864995 522665992 /nfs/dbraw/zinc/66/59/92/522665992.db2.gz NILMCIQZUODTBE-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CCCCC1 ZINC000048245510 522699906 /nfs/dbraw/zinc/69/99/06/522699906.db2.gz KICWPQJEBIOSRD-UHFFFAOYSA-N 0 3 358.402 1.489 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000048882689 522790585 /nfs/dbraw/zinc/79/05/85/522790585.db2.gz MBWZLHYQQPHJDC-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000052160007 523129834 /nfs/dbraw/zinc/12/98/34/523129834.db2.gz WWZXYIPWIDJTTK-NEPJUHHUSA-N 0 3 356.448 1.775 20 5 FDBDHN CCOC(=O)c1ccnc(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000077928126 523499706 /nfs/dbraw/zinc/49/97/06/523499706.db2.gz JDMVXTYSEWLELA-UHFFFAOYSA-N 0 3 365.434 1.606 20 5 FDBDHN CCN1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467862 523794809 /nfs/dbraw/zinc/79/48/09/523794809.db2.gz PTTDGPFHRRBYSJ-UHFFFAOYSA-N 0 3 359.430 1.303 20 5 FDBDHN CC(C)N(CCN(C)C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000156791942 524149516 /nfs/dbraw/zinc/14/95/16/524149516.db2.gz IUFKAQSURSVLCN-UHFFFAOYSA-N 0 3 350.375 1.301 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110959454 524174993 /nfs/dbraw/zinc/17/49/93/524174993.db2.gz IZPYVHBDUQQFAL-CQSZACIVSA-N 0 3 373.413 1.798 20 5 FDBDHN COc1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000121372462 524235744 /nfs/dbraw/zinc/23/57/44/524235744.db2.gz BVQCFFXRDXTDIA-UHFFFAOYSA-N 0 3 357.432 1.459 20 5 FDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)N(C)C ZINC000140036489 524302236 /nfs/dbraw/zinc/30/22/36/524302236.db2.gz BUGGTOVFUFFPON-UHFFFAOYSA-N 0 3 366.418 1.732 20 5 FDBDHN CCCN(CCN(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661346 524319116 /nfs/dbraw/zinc/31/91/16/524319116.db2.gz JEFIZOVFPPHEOO-CYBMUJFWSA-N 0 3 366.418 1.593 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000085457578 524360647 /nfs/dbraw/zinc/36/06/47/524360647.db2.gz YOYHMQZOSLXHKF-KBPBESRZSA-N 0 3 367.450 1.532 20 5 FDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCN(C2CC2)C1 ZINC000143995796 524379616 /nfs/dbraw/zinc/37/96/16/524379616.db2.gz MQFWNJYDNHLTNH-LBPRGKRZSA-N 0 3 374.397 1.636 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112922828 524600682 /nfs/dbraw/zinc/60/06/82/524600682.db2.gz DJYOJEQOIFMGNM-CYBMUJFWSA-N 0 3 374.445 1.475 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151647202 524642206 /nfs/dbraw/zinc/64/22/06/524642206.db2.gz JBKVSDAVBJFWHT-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCN1CCN(C)CC1 ZINC000174711225 524699906 /nfs/dbraw/zinc/69/99/06/524699906.db2.gz FPSBLYBCWSAOFD-OAHLLOKOSA-N 0 3 363.462 1.491 20 5 FDBDHN CC(C)C(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159791425 524738746 /nfs/dbraw/zinc/73/87/46/524738746.db2.gz AQHDFHHMRZVOLK-CQSZACIVSA-N 0 3 350.419 1.241 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000124329229 524958103 /nfs/dbraw/zinc/95/81/03/524958103.db2.gz FCJUBCPKKOXILI-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115585909 525030626 /nfs/dbraw/zinc/03/06/26/525030626.db2.gz LQMSUTYXPDVYPX-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN CC(C)OCCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176228138 525067963 /nfs/dbraw/zinc/06/79/63/525067963.db2.gz UDKZGDTXGRSGCD-UHFFFAOYSA-N 0 3 367.450 1.435 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000153071373 525098247 /nfs/dbraw/zinc/09/82/47/525098247.db2.gz DQWNSODMIPGEFF-UHFFFAOYSA-N 0 3 374.401 1.606 20 5 FDBDHN CC1CCN(C[C@@H](O)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161686154 525151194 /nfs/dbraw/zinc/15/11/94/525151194.db2.gz SWNILZYDKSKCED-INIZCTEOSA-N 0 3 371.459 1.107 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000153296312 525170215 /nfs/dbraw/zinc/17/02/15/525170215.db2.gz OVGAIDJVXARZMF-UHFFFAOYSA-N 0 3 361.402 1.546 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177046935 525227514 /nfs/dbraw/zinc/22/75/14/525227514.db2.gz ZYVKLWLDBLGOGY-UHFFFAOYSA-N 0 3 373.413 1.476 20 5 FDBDHN CCCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)N(C)C ZINC000117336270 525322607 /nfs/dbraw/zinc/32/26/07/525322607.db2.gz NLIKESNZMINCBK-UHFFFAOYSA-N 0 3 364.402 1.693 20 5 FDBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339054 525323615 /nfs/dbraw/zinc/32/36/15/525323615.db2.gz XSHYMSZNWNUGQQ-VXGBXAGGSA-N 0 3 362.386 1.479 20 5 FDBDHN COc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000103150551 525333456 /nfs/dbraw/zinc/33/34/56/525333456.db2.gz ZKFLCGYPRMMSBX-UHFFFAOYSA-N 0 3 362.430 1.343 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000104102450 525392146 /nfs/dbraw/zinc/39/21/46/525392146.db2.gz YYFKOMRSCFSNGO-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000118129083 525474549 /nfs/dbraw/zinc/47/45/49/525474549.db2.gz ONNUMJCIHVWSHH-VIFPVBQESA-N 0 3 354.794 1.786 20 5 FDBDHN CN(C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154330164 525495972 /nfs/dbraw/zinc/49/59/72/525495972.db2.gz PUXUPNDOQYYOIX-UHFFFAOYSA-N 0 3 370.409 1.919 20 5 FDBDHN C[C@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393493 525700210 /nfs/dbraw/zinc/70/02/10/525700210.db2.gz BOIFFOHCWWCOJK-WFASDCNBSA-N 0 3 369.377 1.903 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129953211 525707631 /nfs/dbraw/zinc/70/76/31/525707631.db2.gz AVEONMDRJRYKFU-HNNXBMFYSA-N 0 3 360.414 1.846 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000119587298 525797086 /nfs/dbraw/zinc/79/70/86/525797086.db2.gz YIULVLYZOYFWAB-CXAGYDPISA-N 0 3 370.413 1.732 20 5 FDBDHN CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000106906905 525820506 /nfs/dbraw/zinc/82/05/06/525820506.db2.gz AFPUANGFYYTJRM-CQSZACIVSA-N 0 3 368.459 1.527 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108303750 525949986 /nfs/dbraw/zinc/94/99/86/525949986.db2.gz ZDZSZHFMZXWRDL-DOMZBBRYSA-N 0 3 360.414 1.314 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120225285 526000775 /nfs/dbraw/zinc/00/07/75/526000775.db2.gz SZKHJSZVWWXSFP-UHFFFAOYSA-N 0 3 374.445 1.346 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000109761274 526177910 /nfs/dbraw/zinc/17/79/10/526177910.db2.gz KMKCEJJLHRSVOV-INIZCTEOSA-N 0 3 370.409 1.537 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000183407017 535976494 /nfs/dbraw/zinc/97/64/94/535976494.db2.gz RTVATHAEMWRWCG-HNNXBMFYSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1C[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000183728505 536036811 /nfs/dbraw/zinc/03/68/11/536036811.db2.gz PQKUGIYHENYGSK-XJKSGUPXSA-N 0 3 355.460 1.882 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000184079132 536092701 /nfs/dbraw/zinc/09/27/01/536092701.db2.gz AQFNASNFJILPAD-LBPRGKRZSA-N 0 3 360.418 1.227 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184708776 536177983 /nfs/dbraw/zinc/17/79/83/536177983.db2.gz LBUCEAWOKNHIIX-HIFRSBDPSA-N 0 3 353.444 1.841 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186225037 536229289 /nfs/dbraw/zinc/22/92/89/536229289.db2.gz UFLQFDMECLBXPK-INIZCTEOSA-N 0 3 361.402 1.338 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000187726513 536272693 /nfs/dbraw/zinc/27/26/93/536272693.db2.gz WUJLPUBNSLWDQV-UHFFFAOYSA-N 0 3 354.794 1.739 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246396791 536944627 /nfs/dbraw/zinc/94/46/27/536944627.db2.gz KONLAXVMIYPOQT-OBJOEFQTSA-N 0 3 360.414 1.455 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189430269 537045262 /nfs/dbraw/zinc/04/52/62/537045262.db2.gz QWPCVUALWHVBIV-CABCVRRESA-N 0 3 367.446 1.112 20 5 FDBDHN Cc1c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000263641724 537049146 /nfs/dbraw/zinc/04/91/46/537049146.db2.gz AQPSEJZVLPXFMF-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000189886716 537110000 /nfs/dbraw/zinc/11/00/00/537110000.db2.gz DMNRUWIDVKWRPH-CHWSQXEVSA-N 0 3 360.414 1.993 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000247736344 537147388 /nfs/dbraw/zinc/14/73/88/537147388.db2.gz VVGXEBHSBJTRQC-XJKSGUPXSA-N 0 3 362.430 1.704 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248762277 537211524 /nfs/dbraw/zinc/21/15/24/537211524.db2.gz GRVCWYDPPCTZPR-MLGOLLRUSA-N 0 3 355.398 1.822 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000276205487 537328802 /nfs/dbraw/zinc/32/88/02/537328802.db2.gz ZLCRKXMCAVWZDQ-WCQYABFASA-N 0 3 364.402 1.483 20 5 FDBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000298813633 537328979 /nfs/dbraw/zinc/32/89/79/537328979.db2.gz KGSUORBCPLNLNQ-GOEBONIOSA-N 0 3 355.398 1.934 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000293318639 537413559 /nfs/dbraw/zinc/41/35/59/537413559.db2.gz JSWUJIHLHRAEGI-SFHVURJKSA-N 0 3 360.414 1.786 20 5 FDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000293349187 537424345 /nfs/dbraw/zinc/42/43/45/537424345.db2.gz SZAVKSKCHXFYNE-HNNXBMFYSA-N 0 3 354.382 1.813 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)CCCOC ZINC000290921477 537471685 /nfs/dbraw/zinc/47/16/85/537471685.db2.gz XSMBJEZLYMMVPQ-UHFFFAOYSA-N 0 3 366.418 1.180 20 5 FDBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271694242 537476819 /nfs/dbraw/zinc/47/68/19/537476819.db2.gz KSARBGITECFTHS-GFCCVEGCSA-N 0 3 365.411 1.972 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294476917 537702316 /nfs/dbraw/zinc/70/23/16/537702316.db2.gz FPKLCJIIOQLMRC-UHFFFAOYSA-N 0 3 361.402 1.635 20 5 FDBDHN COC(=O)C1CCN(CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000298665281 537726133 /nfs/dbraw/zinc/72/61/33/537726133.db2.gz JEVQMDPEHPVVAM-UHFFFAOYSA-N 0 3 367.431 1.991 20 5 FDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000411701698 537829605 /nfs/dbraw/zinc/82/96/05/537829605.db2.gz YGPZSZKICKSBFM-CQSZACIVSA-N 0 3 362.386 1.393 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(=O)N(C)C)CC1 ZINC000411917644 537900513 /nfs/dbraw/zinc/90/05/13/537900513.db2.gz ZDRIROJXSFLWBC-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN NCCN(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419043485 537910381 /nfs/dbraw/zinc/91/03/81/537910381.db2.gz RFFMDYASDNAOQQ-UHFFFAOYSA-N 0 3 370.409 1.241 20 5 FDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000411986401 537923041 /nfs/dbraw/zinc/92/30/41/537923041.db2.gz RCZMOECUJYSSIT-QAPCUYQASA-N 0 3 359.430 1.359 20 5 FDBDHN CC1(C)CN(C2(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000372359551 537935306 /nfs/dbraw/zinc/93/53/06/537935306.db2.gz VPLAYPQHSBPWDM-UHFFFAOYSA-N 0 3 365.434 1.861 20 5 FDBDHN COC(=O)[C@H]1CSCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412075796 537945049 /nfs/dbraw/zinc/94/50/49/537945049.db2.gz MRLRVDPRJDVGOV-GFCCVEGCSA-N 0 3 367.427 1.761 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000419241594 538005020 /nfs/dbraw/zinc/00/50/20/538005020.db2.gz CAVGDDBKKLJOMZ-IUODEOHRSA-N 0 3 362.430 1.714 20 5 FDBDHN Cc1cccc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000372706000 538006189 /nfs/dbraw/zinc/00/61/89/538006189.db2.gz WELCRHUWIPJHJD-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000372782973 538026882 /nfs/dbraw/zinc/02/68/82/538026882.db2.gz PWWABOGZRCXGEU-SJLPKXTDSA-N 0 3 362.474 1.960 20 5 FDBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419389441 538055489 /nfs/dbraw/zinc/05/54/89/538055489.db2.gz FGYWGLPQJYMEQM-HOCLYGCPSA-N 0 3 361.402 1.399 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000444135446 538120159 /nfs/dbraw/zinc/12/01/59/538120159.db2.gz CIHHUBBKYWODOV-RHSMWYFYSA-N 0 3 350.419 1.655 20 5 FDBDHN Cn1c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000427158985 538176572 /nfs/dbraw/zinc/17/65/72/538176572.db2.gz AVHYUBFNFAAESA-AWEZNQCLSA-N 0 3 350.419 1.650 20 5 FDBDHN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)c(C)c1[N+](=O)[O-] ZINC000423989574 538204996 /nfs/dbraw/zinc/20/49/96/538204996.db2.gz IKWVZSLHNDTGBM-INIZCTEOSA-N 0 3 373.413 1.175 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424413540 538292033 /nfs/dbraw/zinc/29/20/33/538292033.db2.gz DFQXQGQFRAQLNQ-LSDHHAIUSA-N 0 3 358.402 1.849 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420469172 538300579 /nfs/dbraw/zinc/30/05/79/538300579.db2.gz IISLHGQRLXHJHL-UONOGXRCSA-N 0 3 365.386 1.849 20 5 FDBDHN CN(C)C(=O)CCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000461095550 538502380 /nfs/dbraw/zinc/50/23/80/538502380.db2.gz CTCUMJOLQAGMKW-UHFFFAOYSA-N 0 3 362.430 1.196 20 5 FDBDHN CN(C)CCOc1cnccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000494722484 538581756 /nfs/dbraw/zinc/58/17/56/538581756.db2.gz QCNIEWMKJMRBAZ-UHFFFAOYSA-N 0 3 359.386 1.442 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000472555991 538656413 /nfs/dbraw/zinc/65/64/13/538656413.db2.gz WUIYXCGAOHVJPZ-CQSZACIVSA-N 0 3 364.377 1.759 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000488111006 538713312 /nfs/dbraw/zinc/71/33/12/538713312.db2.gz RCZAXWHHLAZXMX-ZDUSSCGKSA-N 0 3 365.405 1.988 20 5 FDBDHN COC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000480372073 538852311 /nfs/dbraw/zinc/85/23/11/538852311.db2.gz XAJZBDHEXSQZFV-UHFFFAOYSA-N 0 3 371.459 1.812 20 5 FDBDHN Cc1nccn1C[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562986811 546342588 /nfs/dbraw/zinc/34/25/88/546342588.db2.gz CEKMUQPIZKHDNO-ZDUSSCGKSA-N 0 3 366.443 1.799 20 5 FDBDHN CC(C)Oc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000563404611 546521842 /nfs/dbraw/zinc/52/18/42/546521842.db2.gz ZHFAHTRGKLCRGL-GFCCVEGCSA-N 0 3 366.418 1.178 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCNC[C@H]1C(F)F ZINC000564987335 547146553 /nfs/dbraw/zinc/14/65/53/547146553.db2.gz XWTLUVPPMAGKAE-LBPRGKRZSA-N 0 3 356.329 1.432 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000565362998 547320684 /nfs/dbraw/zinc/32/06/84/547320684.db2.gz XNIZUYRKAIFJNI-CYBMUJFWSA-N 0 3 360.374 1.131 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCN(c2ncccn2)CC1 ZINC000565784277 547480008 /nfs/dbraw/zinc/48/00/08/547480008.db2.gz HMOUHHFIZARUBE-KRWDZBQOSA-N 0 3 368.441 1.784 20 5 FDBDHN CCc1nn(C)c(CC)c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566111653 547609158 /nfs/dbraw/zinc/60/91/58/547609158.db2.gz KIBKONHTWUHQLD-AWEZNQCLSA-N 0 3 362.430 1.983 20 5 FDBDHN CCc1n[nH]c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000566345323 547722803 /nfs/dbraw/zinc/72/28/03/547722803.db2.gz FTKFRNSZRANKEQ-UHFFFAOYSA-N 0 3 360.418 1.869 20 5 FDBDHN CCc1[nH]nc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000566345323 547722809 /nfs/dbraw/zinc/72/28/09/547722809.db2.gz FTKFRNSZRANKEQ-UHFFFAOYSA-N 0 3 360.418 1.869 20 5 FDBDHN Nc1nccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566442420 547759899 /nfs/dbraw/zinc/75/98/99/547759899.db2.gz GJSXGPDCLDGHBC-ZDUSSCGKSA-N 0 3 363.418 1.289 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2cccc3ccccc32)c1 ZINC000567345554 548085834 /nfs/dbraw/zinc/08/58/34/548085834.db2.gz LQRQFKKLEUHZFK-INIZCTEOSA-N 0 3 356.382 1.974 20 5 FDBDHN CNC(=O)c1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568621572 548609958 /nfs/dbraw/zinc/60/99/58/548609958.db2.gz VCCBINJQJYDZEJ-INIZCTEOSA-N 0 3 359.382 1.484 20 5 FDBDHN Nc1nccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000568650836 548625967 /nfs/dbraw/zinc/62/59/67/548625967.db2.gz YMFDOMXRPVZUIX-UHFFFAOYSA-N 0 3 371.397 1.781 20 5 FDBDHN O=C(c1ccc2c(c1)CNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571436397 549645294 /nfs/dbraw/zinc/64/52/94/549645294.db2.gz KZWZJLCEKGHOJZ-UHFFFAOYSA-N 0 3 353.382 1.555 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000571798499 549767396 /nfs/dbraw/zinc/76/73/96/549767396.db2.gz PLJCZGJURVWJQW-CYBMUJFWSA-N 0 3 350.419 1.316 20 5 FDBDHN CCN(C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572385643 549902916 /nfs/dbraw/zinc/90/29/16/549902916.db2.gz WHXOVWKVEODOTH-UHFFFAOYSA-N 0 3 373.207 1.364 20 5 FDBDHN CNc1nccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000573134555 550072716 /nfs/dbraw/zinc/07/27/16/550072716.db2.gz MWPNZRUPAHRSPS-ZDUSSCGKSA-N 0 3 357.414 2.282 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@]1(O)CN2CCC1CC2 ZINC000573996329 550244445 /nfs/dbraw/zinc/24/44/45/550244445.db2.gz ZCJJCGPWHLITJQ-MRXNPFEDSA-N 0 3 353.806 1.364 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000575047896 550415516 /nfs/dbraw/zinc/41/55/16/550415516.db2.gz FUVYTTXTCVUXHD-UHFFFAOYSA-N 0 3 355.391 1.262 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000578257080 550745474 /nfs/dbraw/zinc/74/54/74/550745474.db2.gz FZXQIASDHFPDRI-AWEZNQCLSA-N 0 3 362.430 1.320 20 5 FDBDHN Cc1ncsc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579828050 550914377 /nfs/dbraw/zinc/91/43/77/550914377.db2.gz BBDZHXDOUASFDF-UHFFFAOYSA-N 0 3 355.441 1.966 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000579830905 550914996 /nfs/dbraw/zinc/91/49/96/550914996.db2.gz BHGFLPIJHDMZJE-MRXNPFEDSA-N 0 3 373.457 1.611 20 5 FDBDHN CNc1nccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000584359664 551486222 /nfs/dbraw/zinc/48/62/22/551486222.db2.gz KFFLOQWOHZJLSL-BETUJISGSA-N 0 3 365.434 1.651 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(N2CN=NC2=O)CC1 ZINC000584418465 551493964 /nfs/dbraw/zinc/49/39/64/551493964.db2.gz BQQMZMLHXHECCZ-UHFFFAOYSA-N 0 3 374.401 1.866 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860158 551694047 /nfs/dbraw/zinc/69/40/47/551694047.db2.gz DZECFLLWIRDVAK-UONOGXRCSA-N 0 3 353.806 1.458 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000589503477 551734314 /nfs/dbraw/zinc/73/43/14/551734314.db2.gz RUANPTOLXIGBKO-AWEZNQCLSA-N 0 3 363.414 1.536 20 5 FDBDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590541065 551790286 /nfs/dbraw/zinc/79/02/86/551790286.db2.gz AGVBAEZRYZLRST-CYBMUJFWSA-N 0 3 367.450 1.651 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Cn3cccn3)c2)c1 ZINC000591727926 551903978 /nfs/dbraw/zinc/90/39/78/551903978.db2.gz LHODDFMQRSXOHJ-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN COC(=O)[C@@](C)(O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132553 551947761 /nfs/dbraw/zinc/94/77/61/551947761.db2.gz JBLZYYPGGQUUBP-MPGHIAIKSA-N 0 3 366.414 1.624 20 5 FDBDHN CCO[C@@H]1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592168611 551952701 /nfs/dbraw/zinc/95/27/01/551952701.db2.gz SRROKFFCSCNCSY-XZDPQHSOSA-N 0 3 356.444 1.833 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592212448 551961335 /nfs/dbraw/zinc/96/13/35/551961335.db2.gz HFFQGQGMXYWDIA-JTQLQIEISA-N 0 3 369.809 1.832 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592523750 552004699 /nfs/dbraw/zinc/00/46/99/552004699.db2.gz ALXLZFUECLXQEO-NSHDSACASA-N 0 3 372.372 1.748 20 5 FDBDHN CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592831694 552033398 /nfs/dbraw/zinc/03/33/98/552033398.db2.gz NSWISUAIOKJEPQ-AWEZNQCLSA-N 0 3 358.402 1.732 20 5 FDBDHN CCCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832789 552033653 /nfs/dbraw/zinc/03/36/53/552033653.db2.gz WCMOMIMDGWGKOQ-XJKSGUPXSA-N 0 3 362.430 1.656 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CCO2 ZINC000592898659 552040383 /nfs/dbraw/zinc/04/03/83/552040383.db2.gz LRYFTCNMBKMINK-UHFFFAOYSA-N 0 3 372.425 1.942 20 5 FDBDHN CN(CCN1CCCCC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593113679 552063986 /nfs/dbraw/zinc/06/39/86/552063986.db2.gz RFZCXOVGSQIJRA-UHFFFAOYSA-N 0 3 364.402 1.680 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235383 552075393 /nfs/dbraw/zinc/07/53/93/552075393.db2.gz OVCFUNFLXVCRJX-UHFFFAOYSA-N 0 3 368.821 1.403 20 5 FDBDHN COC[C@@H](CC(C)(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593591745 552145952 /nfs/dbraw/zinc/14/59/52/552145952.db2.gz MPXRFTDSWJOYIQ-CYBMUJFWSA-N 0 3 373.475 1.914 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-]CCC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593616260 552153106 /nfs/dbraw/zinc/15/31/06/552153106.db2.gz JWLAYFXUUNABHC-UHFFFAOYSA-N 0 3 359.448 1.860 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-]CCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593616260 552153108 /nfs/dbraw/zinc/15/31/08/552153108.db2.gz JWLAYFXUUNABHC-UHFFFAOYSA-N 0 3 359.448 1.860 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593930620 552228470 /nfs/dbraw/zinc/22/84/70/552228470.db2.gz UINOBVQRTNHBGU-UHFFFAOYSA-N 0 3 362.430 1.464 20 5 FDBDHN CNc1nccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000594317732 552286591 /nfs/dbraw/zinc/28/65/91/552286591.db2.gz GODOMMATIOOJJP-ZFWWWQNUSA-N 0 3 369.425 2.424 20 5 FDBDHN CC1(C)CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000594364670 552296397 /nfs/dbraw/zinc/29/63/97/552296397.db2.gz GBMWIQWRFQWNEN-UHFFFAOYSA-N 0 3 374.441 1.611 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC2(CCCCC2)C1 ZINC000594629000 552345503 /nfs/dbraw/zinc/34/55/03/552345503.db2.gz UYWWJZISWJOSPK-AWEZNQCLSA-N 0 3 374.441 1.848 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCNC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594629009 552345659 /nfs/dbraw/zinc/34/56/59/552345659.db2.gz VQKSXBWDNOSYCW-UHFFFAOYSA-N 0 3 374.441 1.768 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594718328 552362895 /nfs/dbraw/zinc/36/28/95/552362895.db2.gz OQEBSQLCDKPBFY-AWEZNQCLSA-N 0 3 355.460 1.831 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2COC3(CCC3)C2)c1 ZINC000595017990 552438062 /nfs/dbraw/zinc/43/80/62/552438062.db2.gz ZEMRYXUYNYHQNJ-LBPRGKRZSA-N 0 3 355.416 1.174 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(OCCO)CCOCC1 ZINC000595038276 552440916 /nfs/dbraw/zinc/44/09/16/552440916.db2.gz IPUHWOQVRCCENY-CYBMUJFWSA-N 0 3 354.403 1.812 20 5 FDBDHN Cc1noc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595447018 552561854 /nfs/dbraw/zinc/56/18/54/552561854.db2.gz AKSDTENVMHHYGY-GOSISDBHSA-N 0 3 360.414 1.960 20 5 FDBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595615255 552592892 /nfs/dbraw/zinc/59/28/92/552592892.db2.gz KZRLVISSARFJBQ-HNNXBMFYSA-N 0 3 367.402 1.573 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000595617559 552593383 /nfs/dbraw/zinc/59/33/83/552593383.db2.gz WFWYCVUWSBGPJM-MRXNPFEDSA-N 0 3 363.414 1.515 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596074592 552652782 /nfs/dbraw/zinc/65/27/82/552652782.db2.gz UQJIFSKYCVAUNR-UHFFFAOYSA-N 0 3 370.457 2.322 20 5 FDBDHN CC1(C)CCCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596213262 552665454 /nfs/dbraw/zinc/66/54/54/552665454.db2.gz XZTPJXYYLKZSEC-UHFFFAOYSA-N 0 3 356.448 1.776 20 5 FDBDHN COc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000596831777 552715650 /nfs/dbraw/zinc/71/56/50/552715650.db2.gz KCSONYQWHOTZPS-UHFFFAOYSA-N 0 3 367.406 1.087 20 5 FDBDHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000597188703 552759452 /nfs/dbraw/zinc/75/94/52/552759452.db2.gz YNZZZADJDVVABB-VZJVUDMVSA-N 0 3 351.359 1.232 20 5 FDBDHN COc1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597694564 552823143 /nfs/dbraw/zinc/82/31/43/552823143.db2.gz LHCDNBBOHPRHOC-GDBMZVCRSA-N 0 3 363.414 1.468 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597694067 552823341 /nfs/dbraw/zinc/82/33/41/552823341.db2.gz IROBTIPCDTYFFI-JKSUJKDBSA-N 0 3 369.368 1.737 20 5 FDBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000597802746 552834323 /nfs/dbraw/zinc/83/43/23/552834323.db2.gz DSTJOFVULIMONL-NSHDSACASA-N 0 3 369.443 1.930 20 5 FDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598195612 552875001 /nfs/dbraw/zinc/87/50/01/552875001.db2.gz PMCHKMKOQGBUMZ-MRXNPFEDSA-N 0 3 357.414 1.567 20 5 FDBDHN CCCN1CC[C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000598342833 552887489 /nfs/dbraw/zinc/88/74/89/552887489.db2.gz QNQUCSRCSPEKHV-ZDUSSCGKSA-N 0 3 374.397 1.462 20 5 FDBDHN CC[C@@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H](C)N1 ZINC000598536809 552907010 /nfs/dbraw/zinc/90/70/10/552907010.db2.gz XWNWEVGFRVOTHA-WCQYABFASA-N 0 3 358.402 1.696 20 5 FDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596680 552913144 /nfs/dbraw/zinc/91/31/44/552913144.db2.gz SPNXTBLAMKGLFC-OKILXGFUSA-N 0 3 364.450 1.896 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896777 552940722 /nfs/dbraw/zinc/94/07/22/552940722.db2.gz OJKZKKPANKRIDL-HNNXBMFYSA-N 0 3 363.418 1.659 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCC[C@H]1C(N)=O ZINC000598989833 552954757 /nfs/dbraw/zinc/95/47/57/552954757.db2.gz CBCXNHAPZSBQAN-HNNXBMFYSA-N 0 3 350.419 1.423 20 5 FDBDHN C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069590 552964579 /nfs/dbraw/zinc/96/45/79/552964579.db2.gz HWLGIAJLJQSIBZ-TZMCWYRMSA-N 0 3 353.386 1.962 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217461 552989940 /nfs/dbraw/zinc/98/99/40/552989940.db2.gz FWSWOQNTFFAXJR-JHJVBQTASA-N 0 3 371.463 1.354 20 5 FDBDHN NC(=O)c1cn(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000599574810 553092791 /nfs/dbraw/zinc/09/27/91/553092791.db2.gz CAEPBDWPDXOPNB-UHFFFAOYSA-N 0 3 374.401 1.391 20 5 FDBDHN CC1(N2CCOCC2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599621552 553106304 /nfs/dbraw/zinc/10/63/04/553106304.db2.gz FGYCAPXEBROFJL-UHFFFAOYSA-N 0 3 362.430 1.380 20 5 FDBDHN COC(=O)[C@@](C)(NC[C@@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599655731 553114454 /nfs/dbraw/zinc/11/44/54/553114454.db2.gz WSDYWWAYXXVHBA-WBVHZDCISA-N 0 3 351.403 1.028 20 5 FDBDHN COc1ccc([C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599681109 553120270 /nfs/dbraw/zinc/12/02/70/553120270.db2.gz WBPVJCDHKFXGBE-HIFRSBDPSA-N 0 3 364.377 1.789 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938599 553178726 /nfs/dbraw/zinc/17/87/26/553178726.db2.gz QLUFGWGYEXVZMH-NXHRZFHOSA-N 0 3 361.442 1.831 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600006757 553198074 /nfs/dbraw/zinc/19/80/74/553198074.db2.gz DRCNTTRGIIEYAR-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600006757 553198076 /nfs/dbraw/zinc/19/80/76/553198076.db2.gz DRCNTTRGIIEYAR-UHFFFAOYSA-N 0 3 351.407 1.207 20 5 FDBDHN COc1cccc([C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)OC)c1 ZINC000600746396 553310202 /nfs/dbraw/zinc/31/02/02/553310202.db2.gz SMRPDGVMNQEIDE-GOEBONIOSA-N 0 3 350.375 1.138 20 5 FDBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755424 553311446 /nfs/dbraw/zinc/31/14/46/553311446.db2.gz KCTSBOHHPWABSX-KBXCAEBGSA-N 0 3 371.393 1.751 20 5 FDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000601422199 553401341 /nfs/dbraw/zinc/40/13/41/553401341.db2.gz PQGCGXBQENUDNX-AAEUAGOBSA-N 0 3 364.427 1.856 20 5 FDBDHN CN(C)CCN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1=O ZINC000601655166 553453900 /nfs/dbraw/zinc/45/39/00/553453900.db2.gz WRIOTBWZJGCREU-UHFFFAOYSA-N 0 3 374.441 1.249 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609347025 554370117 /nfs/dbraw/zinc/37/01/17/554370117.db2.gz IFMDYSGILQEBDJ-UHFFFAOYSA-N 0 3 353.423 1.187 20 5 FDBDHN C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 ZINC000609392775 554373936 /nfs/dbraw/zinc/37/39/36/554373936.db2.gz VHDBRRXWLBETEW-NSHDSACASA-N 0 3 368.821 1.579 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609448079 554377503 /nfs/dbraw/zinc/37/75/03/554377503.db2.gz TVZHCKJWPCTMBJ-UHFFFAOYSA-N 0 3 360.418 1.835 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000609569900 554394618 /nfs/dbraw/zinc/39/46/18/554394618.db2.gz OYJAUXPPDGBPRK-UHFFFAOYSA-N 0 3 373.413 1.155 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609793903 554422288 /nfs/dbraw/zinc/42/22/88/554422288.db2.gz YRBYXOLEYPZCEO-CYBMUJFWSA-N 0 3 368.865 1.933 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1CCN(C(C)=O)CC1 ZINC000610247500 554477436 /nfs/dbraw/zinc/47/74/36/554477436.db2.gz UXRZKFHVXRTFDZ-NSHDSACASA-N 0 3 364.402 1.531 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611236962 554618644 /nfs/dbraw/zinc/61/86/44/554618644.db2.gz GXTGYRLSGVLKBQ-UHFFFAOYSA-N 0 3 359.386 1.537 20 5 FDBDHN CCS(=O)(=O)N1CCC(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612596317 554812313 /nfs/dbraw/zinc/81/23/13/554812313.db2.gz RRWORUIHSMVKAM-UHFFFAOYSA-N 0 3 359.423 1.885 20 5 FDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000613078480 554879538 /nfs/dbraw/zinc/87/95/38/554879538.db2.gz POVNRTAGXYDMQD-CALCHBBNSA-N 0 3 360.458 1.812 20 5 FDBDHN C[C@@H]1CN(CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H](C)O1 ZINC000613076071 554879579 /nfs/dbraw/zinc/87/95/79/554879579.db2.gz CIMKQKKZXKZYHF-CHWSQXEVSA-N 0 3 352.435 1.971 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000613078436 554879612 /nfs/dbraw/zinc/87/96/12/554879612.db2.gz OBOSARDCEQTYHI-GASCZTMLSA-N 0 3 361.446 1.587 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000618924112 555696455 /nfs/dbraw/zinc/69/64/55/555696455.db2.gz RFQKYNCCBOZLGF-SFHVURJKSA-N 0 3 374.397 1.377 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000618923378 555696664 /nfs/dbraw/zinc/69/66/64/555696664.db2.gz HTYJLWSJSHBPMR-GOSISDBHSA-N 0 3 373.413 1.309 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000619484013 555785346 /nfs/dbraw/zinc/78/53/46/555785346.db2.gz KJVASAOYIGCIOR-GFCCVEGCSA-N 0 3 357.432 1.566 20 5 FDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619836578 555842463 /nfs/dbraw/zinc/84/24/63/555842463.db2.gz GSKREDSCNDWFGW-QGZVFWFLSA-N 0 3 359.386 1.027 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271782788 674381295 /nfs/dbraw/zinc/38/12/95/674381295.db2.gz KDQDWBMWTBNKQX-ZFWWWQNUSA-N 0 3 367.427 1.290 20 5 FDBDHN NC(=O)c1ccnc(N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000291014870 567964296 /nfs/dbraw/zinc/96/42/96/567964296.db2.gz WSAMRHWHVONMJL-GASCZTMLSA-N 0 3 367.409 1.657 20 5 FDBDHN O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738370192 598245198 /nfs/dbraw/zinc/24/51/98/598245198.db2.gz NVQZWOOZKBNCDU-UHFFFAOYSA-N 0 3 373.417 1.832 20 5 FDBDHN O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738370192 598245200 /nfs/dbraw/zinc/24/52/00/598245200.db2.gz NVQZWOOZKBNCDU-UHFFFAOYSA-N 0 3 373.417 1.832 20 5 FDBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736143129 598335436 /nfs/dbraw/zinc/33/54/36/598335436.db2.gz ILWNXFQFPNEKRR-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736143129 598335437 /nfs/dbraw/zinc/33/54/37/598335437.db2.gz ILWNXFQFPNEKRR-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736143129 598335438 /nfs/dbraw/zinc/33/54/38/598335438.db2.gz ILWNXFQFPNEKRR-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736143129 598335439 /nfs/dbraw/zinc/33/54/39/598335439.db2.gz ILWNXFQFPNEKRR-NSHDSACASA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000272892441 674485683 /nfs/dbraw/zinc/48/56/83/674485683.db2.gz JYBFVFKTWNKRIM-RYUDHWBXSA-N 0 3 356.448 1.775 20 5 FDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273495422 674542968 /nfs/dbraw/zinc/54/29/68/674542968.db2.gz HMENMEDECKAVIU-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276260405 674725593 /nfs/dbraw/zinc/72/55/93/674725593.db2.gz UCTUMGOLVANMIP-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277030704 674838231 /nfs/dbraw/zinc/83/82/31/674838231.db2.gz SCJOWDWZESWHBJ-MFKMUULPSA-N 0 3 351.359 1.809 20 5 FDBDHN COCCN1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266098454 673055045 /nfs/dbraw/zinc/05/50/45/673055045.db2.gz JQQFAQWJKFPENB-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN NC(=O)c1ccnc(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000290591932 676216078 /nfs/dbraw/zinc/21/60/78/676216078.db2.gz XOYKSZUATSYUHR-UHFFFAOYSA-N 0 3 365.459 1.862 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000298472885 676466737 /nfs/dbraw/zinc/46/67/37/676466737.db2.gz CUKBYVRXCMMEBX-OLZOCXBDSA-N 0 3 355.416 1.509 20 5 FDBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299375216 676531841 /nfs/dbraw/zinc/53/18/41/676531841.db2.gz SFLPSJQCYPLPEB-UHFFFAOYSA-N 0 3 372.809 1.271 20 5 FDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000327985682 676597080 /nfs/dbraw/zinc/59/70/80/676597080.db2.gz QVPIHVGSGGKCAQ-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN COCCCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000363644669 676966865 /nfs/dbraw/zinc/96/68/65/676966865.db2.gz HXLWKFCFNXOMCR-UHFFFAOYSA-N 0 3 351.403 1.544 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000364923901 677064618 /nfs/dbraw/zinc/06/46/18/677064618.db2.gz RYFPINWLPQFCIO-CQSZACIVSA-N 0 3 350.419 1.312 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000367070586 677483839 /nfs/dbraw/zinc/48/38/39/677483839.db2.gz FGFJSJMKFXRNOY-LLVKDONJSA-N 0 3 354.382 1.963 20 5 FDBDHN Cc1cnc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369788931 677517149 /nfs/dbraw/zinc/51/71/49/677517149.db2.gz GUCVPWSHHFKDQO-TZMCWYRMSA-N 0 3 351.432 1.797 20 5 FDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000417984709 679973334 /nfs/dbraw/zinc/97/33/34/679973334.db2.gz GSSPOGNHFIYDDN-UHFFFAOYSA-N 0 3 354.794 1.175 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC(F)(F)C1 ZINC000420978381 680583360 /nfs/dbraw/zinc/58/33/60/680583360.db2.gz WTWDDQKKAXDQDO-UHFFFAOYSA-N 0 3 363.386 1.850 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000422038779 680686508 /nfs/dbraw/zinc/68/65/08/680686508.db2.gz QPBSQPPZISOAGU-CYBMUJFWSA-N 0 3 353.444 1.845 20 5 FDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)NC(C)C ZINC000428557528 681006799 /nfs/dbraw/zinc/00/67/99/681006799.db2.gz DDLRSTCNFNWLON-UKTHLTGXSA-N 0 3 356.448 1.420 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432332994 681153310 /nfs/dbraw/zinc/15/33/10/681153310.db2.gz FCPVYOQOQIPZFM-CQSZACIVSA-N 0 3 352.822 1.991 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000440846139 682033046 /nfs/dbraw/zinc/03/30/46/682033046.db2.gz KVMKAFLVJWMLNL-MRVPVSSYSA-N 0 3 353.322 1.501 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508314728 688725829 /nfs/dbraw/zinc/72/58/29/688725829.db2.gz GRWJDLKTACURIM-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000510089322 689345600 /nfs/dbraw/zinc/34/56/00/689345600.db2.gz VXJPMPORLUTADQ-SNVBAGLBSA-N 0 3 365.419 1.262 20 5 FDBDHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512812364 689641844 /nfs/dbraw/zinc/64/18/44/689641844.db2.gz SPDJNDNDKVMLTB-SECBINFHSA-N 0 3 357.388 1.381 20 5 FDBDHN CCN1CCN(CCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531296105 694828963 /nfs/dbraw/zinc/82/89/63/694828963.db2.gz RJDLJCNPHATGGT-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN Nc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164865446 721103915 /nfs/dbraw/zinc/10/39/15/721103915.db2.gz LJOYIJYWTJYKOZ-CABCVRRESA-N 0 3 370.413 1.447 20 5 FDBDHN O=C(c1cccc2c[nH]nc21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969523169 770373148 /nfs/dbraw/zinc/37/31/48/770373148.db2.gz UMRXHHRUJVVHPP-AYRXBEOTSA-N 0 3 369.381 1.044 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000262244042 776909819 /nfs/dbraw/zinc/90/98/19/776909819.db2.gz PJBLPRCKTBDGDH-MRXNPFEDSA-N 0 3 371.397 1.583 20 5 FDBDHN COc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000276833068 779834794 /nfs/dbraw/zinc/83/47/94/779834794.db2.gz OUCWFYATPXSNSV-UHFFFAOYSA-N 0 3 374.397 1.887 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1cccc([N+](=O)[O-])c1 ZINC000892112406 781573732 /nfs/dbraw/zinc/57/37/32/781573732.db2.gz RMRUTOSEHOJQKK-IAOVAPTHSA-N 0 3 362.430 1.896 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425055651 815503854 /nfs/dbraw/zinc/50/38/54/815503854.db2.gz HUBHCACHTMCPDD-WMLDXEAASA-N 0 3 355.398 1.947 20 5 FDBDHN CN(C)C(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000514952906 816046381 /nfs/dbraw/zinc/04/63/81/816046381.db2.gz QAQBNTFQUZUWPD-QGZVFWFLSA-N 0 3 373.409 1.826 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425820704 817162504 /nfs/dbraw/zinc/16/25/04/817162504.db2.gz PDNTWNMYGZDEBZ-DZGCQCFKSA-N 0 3 360.414 1.703 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000445769656 828360677 /nfs/dbraw/zinc/36/06/77/828360677.db2.gz ZUYWWVUOBLGPTR-UHTWSYAYSA-N 0 3 364.402 1.564 20 5 FDBDHN O=c1oc2ccccc2n1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519543149 824195458 /nfs/dbraw/zinc/19/54/58/824195458.db2.gz QEWYUHVFWCXRNE-AWEZNQCLSA-N 0 3 373.365 1.532 20 5 FDBDHN COc1ccc(-c2ccc(CN3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449521984 829542534 /nfs/dbraw/zinc/54/25/34/829542534.db2.gz JVBWLOQYPNSURZ-OKILXGFUSA-N 0 3 371.349 1.568 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428553990 833442267 /nfs/dbraw/zinc/44/22/67/833442267.db2.gz ZCRZRZJCPDXISP-CQSZACIVSA-N 0 3 357.370 1.391 20 5 FDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384531 830631232 /nfs/dbraw/zinc/63/12/32/830631232.db2.gz GHOZGJRVNZVGKP-HNNXBMFYSA-N 0 3 373.413 1.357 20 5 FDBDHN CNc1nc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455891149 842377071 /nfs/dbraw/zinc/37/70/71/842377071.db2.gz GGUZCJHJIPDRCY-STQMWFEESA-N 0 3 365.434 1.651 20 5 FDBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913103325 861425101 /nfs/dbraw/zinc/42/51/01/861425101.db2.gz LBLDSLZVEHLEQE-PBHICJAKSA-N 0 3 357.414 1.818 20 5 FDBDHN CN(CCO)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000899740006 846644416 /nfs/dbraw/zinc/64/44/16/846644416.db2.gz BRMSTEMNDUZKSO-UHFFFAOYSA-N 0 3 354.165 1.695 20 5 FDBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000484637507 850999533 /nfs/dbraw/zinc/99/95/33/850999533.db2.gz HCYJHHGQWWQYJZ-AXAPSJFSSA-N 0 3 367.402 1.714 20 5 FDBDHN CO[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547300 852007765 /nfs/dbraw/zinc/00/77/65/852007765.db2.gz WGALMTBTJOXWNY-CQSZACIVSA-N 0 3 360.457 1.480 20 5 FDBDHN CC(C)[C@@H]1CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCN1C ZINC000485732779 852798747 /nfs/dbraw/zinc/79/87/47/852798747.db2.gz KVZVOMJJCYWEER-CVEARBPZSA-N 0 3 360.414 1.499 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486256927 854068448 /nfs/dbraw/zinc/06/84/48/854068448.db2.gz SXOYYIGWPONBSR-LBPRGKRZSA-N 0 3 370.400 1.558 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908202318 855186797 /nfs/dbraw/zinc/18/67/97/855186797.db2.gz NYTBCKSVQJICGK-HUUCEWRRSA-N 0 3 367.833 1.848 20 5 FDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489207762 859411251 /nfs/dbraw/zinc/41/12/51/859411251.db2.gz STYHSYIBPGCIRR-DZGCQCFKSA-N 0 3 365.430 1.967 20 5 FDBDHN CN(CCO)CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000912606348 859948152 /nfs/dbraw/zinc/94/81/52/859948152.db2.gz PXGKEEVIGYPWBR-UHFFFAOYSA-N 0 3 359.810 1.400 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916664104 882019409 /nfs/dbraw/zinc/01/94/09/882019409.db2.gz PQACRYZBUOIORA-CABCVRRESA-N 0 3 353.444 1.351 20 5 FDBDHN O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000915648582 877147710 /nfs/dbraw/zinc/14/77/10/877147710.db2.gz BADJPSAALKEPTF-UHFFFAOYSA-N 0 3 368.821 1.580 20 5 FDBDHN CC(C)c1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034644753 884605307 /nfs/dbraw/zinc/60/53/07/884605307.db2.gz LRJVTLKYYKLCPE-AAVRWANBSA-N 0 3 350.419 1.980 20 5 FDBDHN C[C@@H]1NCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000262761236 884747938 /nfs/dbraw/zinc/74/79/38/884747938.db2.gz ILJMDPOHLSYYQO-RYUDHWBXSA-N 0 3 362.386 1.492 20 5 FDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000282537353 888286571 /nfs/dbraw/zinc/28/65/71/888286571.db2.gz SBDXEZJIKSWXNE-CQSZACIVSA-N 0 3 372.429 1.549 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3OCCN[C@@H]3C2)c1 ZINC000923384606 889067758 /nfs/dbraw/zinc/06/77/58/889067758.db2.gz IWZSNXKRRGQQBT-ZIAGYGMSSA-N 0 3 356.220 1.920 20 5 FDBDHN Cc1cc(N(C)C[C@@H](O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272817708 890746663 /nfs/dbraw/zinc/74/66/63/890746663.db2.gz IDEOTFDXFWOQRX-OAHLLOKOSA-N 0 3 360.414 1.581 20 5 FDBDHN Cn1ccnc1[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376430665 901373762 /nfs/dbraw/zinc/37/37/62/901373762.db2.gz YMGXFWYDEULDNB-GJZGRUSLSA-N 0 3 360.414 1.948 20 5 FDBDHN C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000764187860 903957444 /nfs/dbraw/zinc/95/74/44/903957444.db2.gz PDLNGNQLGFXENS-GJZGRUSLSA-N 0 3 358.446 1.705 20 5 FDBDHN CS[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000765267087 906669701 /nfs/dbraw/zinc/66/97/01/906669701.db2.gz BZCHYFPGBNOVIV-LSDHHAIUSA-N 0 3 363.443 1.449 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)[C@H]2C1 ZINC000273125076 911102649 /nfs/dbraw/zinc/10/26/49/911102649.db2.gz QFECHNIDHOFYSP-DQYPLSBCSA-N 0 3 358.398 1.640 20 5 FDBDHN CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)O ZINC000734002257 922786868 /nfs/dbraw/zinc/78/68/68/922786868.db2.gz JZJFEUYKRUFAFA-UHFFFAOYSA-N 0 3 364.446 1.336 20 5 FDBDHN CCCc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086363481 926830230 /nfs/dbraw/zinc/83/02/30/926830230.db2.gz WSOJNLYKGNMFHG-HBJVGIJOSA-N 0 3 352.460 1.745 20 5 FDBDHN Cn1nc(CN(c2ncccn2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025854 928251104 /nfs/dbraw/zinc/25/11/04/928251104.db2.gz ZJIRBGAJJMVVFP-ZIAGYGMSSA-N 0 3 371.445 1.308 20 5 FDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813101795 941325598 /nfs/dbraw/zinc/32/55/98/941325598.db2.gz IUGRRUKWNHRKQM-ZDUSSCGKSA-N 0 3 370.427 1.612 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000813104066 941326390 /nfs/dbraw/zinc/32/63/90/941326390.db2.gz JJUMVDXOFGYPIF-WUHRBBMRSA-N 0 3 372.443 1.492 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000815705673 941945821 /nfs/dbraw/zinc/94/58/21/941945821.db2.gz VJVPFOUMCAEWOO-GXFFZTMASA-N 0 3 350.350 1.143 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000818032925 943137891 /nfs/dbraw/zinc/13/78/91/943137891.db2.gz CZYJSLVJHNFHHM-DLBZAZTESA-N 0 3 373.413 1.266 20 5 FDBDHN COc1ccc(CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000818168082 943178353 /nfs/dbraw/zinc/17/83/53/943178353.db2.gz OXOVFCSUWWCJDW-CYBMUJFWSA-N 0 3 369.418 1.921 20 5 FDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccnc2N2CCOCC2)cc1 ZINC000818949291 943359712 /nfs/dbraw/zinc/35/97/12/943359712.db2.gz KKVAQPCLGGQEFY-KRWDZBQOSA-N 0 3 358.398 1.650 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC001195488828 970988883 /nfs/dbraw/zinc/98/88/83/970988883.db2.gz UCTPBSWWBODNCH-ZDUSSCGKSA-N 0 3 357.432 1.232 20 5 FDBDHN CS(=O)(=O)Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819134634 943434229 /nfs/dbraw/zinc/43/42/29/943434229.db2.gz KCKJVGBOLIMCLI-QGZVFWFLSA-N 0 3 364.423 1.963 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000824082704 946211769 /nfs/dbraw/zinc/21/17/69/946211769.db2.gz MKYNVJWMEXEZKR-SFHVURJKSA-N 0 3 357.414 1.881 20 5 FDBDHN CN(C)CCN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000845634933 949720674 /nfs/dbraw/zinc/72/06/74/949720674.db2.gz MBZRDPCDIWVMFT-UHFFFAOYSA-N 0 3 371.235 1.568 20 5 FDBDHN CC([C@@H](OC(=O)CCN1CCCS1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875165 950046630 /nfs/dbraw/zinc/04/66/30/950046630.db2.gz LZECNCIRLPTXRF-XHDPSFHLSA-N 0 3 374.390 1.501 20 5 FDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC001197844920 972468946 /nfs/dbraw/zinc/46/89/46/972468946.db2.gz PTVHZQHLNOAUOT-ZENOOKHLSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)N2CCOCC2)c1F ZINC001173176407 961952232 /nfs/dbraw/zinc/95/22/32/961952232.db2.gz GZIZZXFOGLRIBN-LLVKDONJSA-N 0 3 355.366 1.122 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@]2(C)CCC(=O)NC2=O)c1F ZINC001173187426 961957045 /nfs/dbraw/zinc/95/70/45/961957045.db2.gz DCCQYOSPYZXFQA-ABKXIKBNSA-N 0 3 353.350 1.458 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCS(=O)(=O)N(C)C)c1F ZINC001173190175 961958332 /nfs/dbraw/zinc/95/83/32/961958332.db2.gz VBKKTLJCJAOCAV-SNVBAGLBSA-N 0 3 363.411 1.155 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234046 961972567 /nfs/dbraw/zinc/97/25/67/961972567.db2.gz OXVHNATWEXZQBW-BPLDGKMQSA-N 0 3 364.398 1.810 20 5 FDBDHN C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCN1CC(C)(C)O ZINC000853509232 968064842 /nfs/dbraw/zinc/06/48/42/968064842.db2.gz XHECWWGBCBCGJA-AWEZNQCLSA-N 0 3 374.445 1.588 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794578568 973295940 /nfs/dbraw/zinc/29/59/40/973295940.db2.gz ZBIZZTBPSYSOLO-MNOVXSKESA-N 0 3 354.794 1.691 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864864273 973902943 /nfs/dbraw/zinc/90/29/43/973902943.db2.gz VXZPQLUUYFIKIT-UHFFFAOYSA-N 0 3 352.410 1.420 20 5 FDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776276722 975290126 /nfs/dbraw/zinc/29/01/26/975290126.db2.gz JHJWIFLTHVQWAX-BRWVUGGUSA-N 0 3 350.415 1.880 20 5 FDBDHN CN1CCN(C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC000866212101 975488715 /nfs/dbraw/zinc/48/87/15/975488715.db2.gz IEABJCZGHXUMAI-UHFFFAOYSA-N 0 3 356.430 1.754 20 5 FDBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000848926676 977240488 /nfs/dbraw/zinc/24/04/88/977240488.db2.gz VWBBCMRSFFBAQF-WDEREUQCSA-N 0 3 356.220 1.608 20 5 FDBDHN CN1CCN(C2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000868160269 977327897 /nfs/dbraw/zinc/32/78/97/977327897.db2.gz DDZDJRHGMFBENE-UHFFFAOYSA-N 0 3 361.446 1.516 20 5 FDBDHN Cc1ccc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868510764 977726530 /nfs/dbraw/zinc/72/65/30/977726530.db2.gz ZVSOAWDMQDKXOZ-HNNXBMFYSA-N 0 3 363.462 1.728 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466791746 984620460 /nfs/dbraw/zinc/62/04/60/984620460.db2.gz RUGCSRLHFHSCDW-KSSFIOAISA-N 0 3 373.457 1.909 20 5 FDBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000886360550 986098683 /nfs/dbraw/zinc/09/86/83/986098683.db2.gz XZBLKPHSXUTAAZ-LRDDRELGSA-N 0 3 352.387 1.993 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000886910584 986731101 /nfs/dbraw/zinc/73/11/01/986731101.db2.gz SIJZELNGROVVOU-GDBMZVCRSA-N 0 3 363.414 1.515 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000886911941 986733263 /nfs/dbraw/zinc/73/32/63/986733263.db2.gz GITPHUWRMLFWAS-HOCLYGCPSA-N 0 3 363.414 1.515 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000299228280 988254759 /nfs/dbraw/zinc/25/47/59/988254759.db2.gz FLGDPSITPVSZBJ-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN C[C@@H]1CN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000363042741 988863315 /nfs/dbraw/zinc/86/33/15/988863315.db2.gz ORPHZCWAFDWBML-OKILXGFUSA-N 0 3 365.434 1.139 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363146731 988952142 /nfs/dbraw/zinc/95/21/42/988952142.db2.gz GDZNCKSOYIOGGO-INIZCTEOSA-N 0 3 360.414 1.078 20 5 FDBDHN Cc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000363209324 988996219 /nfs/dbraw/zinc/99/62/19/988996219.db2.gz NIEZHSQRJWFMIL-MRXNPFEDSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000874096708 989740672 /nfs/dbraw/zinc/74/06/72/989740672.db2.gz YJJMQKVNXJNBGJ-UHFFFAOYSA-N 0 3 366.393 1.924 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000874832709 990557408 /nfs/dbraw/zinc/55/74/08/990557408.db2.gz HNDXNBVGVUDTBG-GJZGRUSLSA-N 0 3 365.455 1.988 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000874833609 990557489 /nfs/dbraw/zinc/55/74/89/990557489.db2.gz MJQYXEUZUQTJQO-JKSUJKDBSA-N 0 3 374.441 1.740 20 5 FDBDHN Cc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000874841473 990567385 /nfs/dbraw/zinc/56/73/85/990567385.db2.gz DHJNVRKFWJVDGK-JKSUJKDBSA-N 0 3 370.413 1.793 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000874847497 990575206 /nfs/dbraw/zinc/57/52/06/990575206.db2.gz PDTVWYANBTWDKY-ZIAGYGMSSA-N 0 3 374.397 1.015 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825765627 990801851 /nfs/dbraw/zinc/80/18/51/990801851.db2.gz ZFXMDFVVHLOFKV-INIZCTEOSA-N 0 3 365.430 1.634 20 5 FDBDHN COc1ccc(CC(=O)NC[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877343492 993229971 /nfs/dbraw/zinc/22/99/71/993229971.db2.gz ZDNIDKQDMXRTTH-MRXNPFEDSA-N 0 3 355.394 1.977 20 5 FDBDHN CC(C)c1nc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000266572422 999189727 /nfs/dbraw/zinc/18/97/27/999189727.db2.gz LJDFEIJAGDDWNJ-AWEZNQCLSA-N 0 3 364.406 1.538 20 5 FDBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000271667849 999723433 /nfs/dbraw/zinc/72/34/33/999723433.db2.gz HIZICPVYCQNAAS-CABCVRRESA-N 0 3 363.462 1.839 20 5 FDBDHN NC(=O)c1ncn(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)c1N ZINC000284227882 999784272 /nfs/dbraw/zinc/78/42/72/999784272.db2.gz KDCDXMDPQILBCC-UHFFFAOYSA-N 0 3 374.401 1.188 20 5 FDBDHN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[n-]2)[NH+]2CCCC2)cc1 ZINC000284960198 999888128 /nfs/dbraw/zinc/88/81/28/999888128.db2.gz KZYHRTYWDKYRBP-HNNXBMFYSA-N 0 3 359.386 1.893 20 5 FDBDHN NC(=O)c1ccnc(NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000290497816 1000141290 /nfs/dbraw/zinc/14/12/90/1000141290.db2.gz KBRPQYKIYCUYFR-UHFFFAOYSA-N 0 3 355.398 1.949 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934261839 1005724501 /nfs/dbraw/zinc/72/45/01/1005724501.db2.gz SIHIIHYJHHPQLR-HUUCEWRRSA-N 0 3 362.430 1.373 20 5 FDBDHN O=C(CN[C@@H]1CCOC12CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934402758 1005740748 /nfs/dbraw/zinc/74/07/48/1005740748.db2.gz CHLYOSAKBRKCTO-MRXNPFEDSA-N 0 3 361.398 1.412 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000935411121 1005907456 /nfs/dbraw/zinc/90/74/56/1005907456.db2.gz VWHJQZDSFUYJJL-XJKSGUPXSA-N 0 3 357.414 1.736 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000190016874 177972189 /nfs/dbraw/zinc/97/21/89/177972189.db2.gz NLYLGOONHUXVKR-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN COc1cc(CCNC(=O)[C@H](N)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000195139891 178241075 /nfs/dbraw/zinc/24/10/75/178241075.db2.gz GWRMDHVSYJGOKU-OAHLLOKOSA-N 0 3 373.409 1.841 20 5 FDBDHN Cc1nc2n(n1)C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000237710933 178326692 /nfs/dbraw/zinc/32/66/92/178326692.db2.gz KFJIZOKNPNTOHV-HNNXBMFYSA-N 0 3 367.413 2.000 20 5 FDBDHN C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1 ZINC000237566515 178319860 /nfs/dbraw/zinc/31/98/60/178319860.db2.gz FENZGSBZZZJXFF-NEPJUHHUSA-N 0 3 362.386 1.492 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000246062837 178398063 /nfs/dbraw/zinc/39/80/63/178398063.db2.gz YNNXAEYGJYKUJQ-HOTGVXAUSA-N 0 3 367.471 1.883 20 5 FDBDHN CCNC(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000519647336 539496090 /nfs/dbraw/zinc/49/60/90/539496090.db2.gz JRKICQAEQFUTLT-KRWDZBQOSA-N 0 3 373.409 1.874 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264436870 179107901 /nfs/dbraw/zinc/10/79/01/179107901.db2.gz CWZNQTWNLXTTHS-OAHLLOKOSA-N 0 3 360.414 1.929 20 5 FDBDHN CN1CCN(CC2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000264734521 179183067 /nfs/dbraw/zinc/18/30/67/179183067.db2.gz IXFHBOXPRXUUKW-UHFFFAOYSA-N 0 3 361.446 1.277 20 5 FDBDHN CCN(C)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000264943477 179247814 /nfs/dbraw/zinc/24/78/14/179247814.db2.gz WOJKKPSNAXAVDF-UHFFFAOYSA-N 0 3 350.375 1.351 20 5 FDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265380092 179359318 /nfs/dbraw/zinc/35/93/18/179359318.db2.gz KKDVGMQVTBHFNP-NSHDSACASA-N 0 3 352.391 1.388 20 5 FDBDHN COCCN(CCN(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268148882 180008592 /nfs/dbraw/zinc/00/85/92/180008592.db2.gz OLRXVKKXSIZHGU-UHFFFAOYSA-N 0 3 358.826 1.968 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268510648 180101562 /nfs/dbraw/zinc/10/15/62/180101562.db2.gz DCEYPYOCYJCRDP-INIZCTEOSA-N 0 3 370.409 1.489 20 5 FDBDHN CN1CCC(O)(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272601934 180766798 /nfs/dbraw/zinc/76/67/98/180766798.db2.gz XYRWRXDOHAXWTC-UHFFFAOYSA-N 0 3 370.837 1.547 20 5 FDBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N1CCCC1 ZINC000275101712 181239025 /nfs/dbraw/zinc/23/90/25/181239025.db2.gz KAFKACHNCSFLLK-RYUDHWBXSA-N 0 3 353.448 1.289 20 5 FDBDHN CC(C(=O)NCCc1cccc([N+](=O)[O-])c1)S(=O)(=O)C1CCOCC1 ZINC000536240361 540570994 /nfs/dbraw/zinc/57/09/94/540570994.db2.gz STFKERSXXRJUIZ-GFCCVEGCSA-N 0 3 370.427 1.236 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000539065984 540920508 /nfs/dbraw/zinc/92/05/08/540920508.db2.gz LHNAJGPZEOQQGZ-CABCVRRESA-N 0 3 354.428 1.319 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000540053093 541023388 /nfs/dbraw/zinc/02/33/88/541023388.db2.gz PVJIQNWHAABPRD-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN CN1CC=C(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000540544891 541073329 /nfs/dbraw/zinc/07/33/29/541073329.db2.gz OKUDOHUOEYDEPE-ZDUSSCGKSA-N 0 3 362.386 1.171 20 5 FDBDHN CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275503914 181335950 /nfs/dbraw/zinc/33/59/50/181335950.db2.gz SUTFGYWPQOANPU-HUUCEWRRSA-N 0 3 350.444 1.710 20 5 FDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1CCN(C2CC2)C1 ZINC000540726460 541092388 /nfs/dbraw/zinc/09/23/88/541092388.db2.gz WUWCBIQBTKGPRI-HNNXBMFYSA-N 0 3 374.441 1.740 20 5 FDBDHN CN(CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccncc1 ZINC000543713564 541643475 /nfs/dbraw/zinc/64/34/75/541643475.db2.gz NTGXPJLKBACFIE-CQSZACIVSA-N 0 3 370.413 1.924 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000269861076 674122984 /nfs/dbraw/zinc/12/29/84/674122984.db2.gz SAZJMMMFGJFZRT-UHFFFAOYSA-N 0 3 371.459 1.417 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000282499567 182020151 /nfs/dbraw/zinc/02/01/51/182020151.db2.gz NBKUYKPBCLCYFL-UHFFFAOYSA-N 0 3 366.393 1.924 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000282621641 182032850 /nfs/dbraw/zinc/03/28/50/182032850.db2.gz VZSWDCXIRPZFMV-UHFFFAOYSA-N 0 3 350.350 1.359 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1N1CCCC1 ZINC000283233281 182135267 /nfs/dbraw/zinc/13/52/67/182135267.db2.gz TUKKLYOEIKFAFG-HUUCEWRRSA-N 0 3 368.434 1.968 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC)CC2)c1 ZINC000283549880 182212434 /nfs/dbraw/zinc/21/24/34/182212434.db2.gz TXMGBKLTIZYOFM-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN COc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286505289 183084091 /nfs/dbraw/zinc/08/40/91/183084091.db2.gz ACFCAPQWRIFUAN-OCCSQVGLSA-N 0 3 369.443 1.851 20 5 FDBDHN CNC(=O)CC[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286618347 183111024 /nfs/dbraw/zinc/11/10/24/183111024.db2.gz XNKJBNRHQAJFGD-CABCVRRESA-N 0 3 365.430 1.715 20 5 FDBDHN O=C([C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287306078 183257748 /nfs/dbraw/zinc/25/77/48/183257748.db2.gz JGVONXMJLDGTEU-GJZGRUSLSA-N 0 3 363.414 1.279 20 5 FDBDHN CC1CCN(C[C@@H](O)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000546770229 542222402 /nfs/dbraw/zinc/22/24/02/542222402.db2.gz SIPVDUBIYDGDEY-HNNXBMFYSA-N 0 3 371.459 1.107 20 5 FDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296518767 184174629 /nfs/dbraw/zinc/17/46/29/184174629.db2.gz KPSGHOVBJCRUEF-NSHDSACASA-N 0 3 354.382 1.827 20 5 FDBDHN C[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000296672440 184189062 /nfs/dbraw/zinc/18/90/62/184189062.db2.gz OXSOABXGWROEGS-AWEZNQCLSA-N 0 3 374.445 1.472 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000296863544 184208939 /nfs/dbraw/zinc/20/89/39/184208939.db2.gz ZADQNEYKNNGQNK-CYBMUJFWSA-N 0 3 362.430 1.958 20 5 FDBDHN COC(=O)Cc1ccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000297407799 184267684 /nfs/dbraw/zinc/26/76/84/184267684.db2.gz GGFAGRQUFAVYTD-HUUCEWRRSA-N 0 3 353.444 1.792 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000297858786 184344428 /nfs/dbraw/zinc/34/44/28/184344428.db2.gz LSUOELCKOHQBMM-UHFFFAOYSA-N 0 3 360.414 1.893 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](OCCO)C1 ZINC000547749240 542436476 /nfs/dbraw/zinc/43/64/76/542436476.db2.gz COJLFLIIONTTKQ-CQSZACIVSA-N 0 3 365.386 1.366 20 5 FDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158693854 258263236 /nfs/dbraw/zinc/26/32/36/258263236.db2.gz YKJMQOJSEICVEA-ZDUSSCGKSA-N 0 3 358.398 1.720 20 5 FDBDHN Cc1c(NC(=O)CCN2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000172794238 258285472 /nfs/dbraw/zinc/28/54/72/258285472.db2.gz HYFHOLRTTNTHID-UHFFFAOYSA-N 0 3 371.397 1.384 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000548188272 542578270 /nfs/dbraw/zinc/57/82/70/542578270.db2.gz BBTBGMAIVGQGQY-UONOGXRCSA-N 0 3 368.434 1.968 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000550044262 542995733 /nfs/dbraw/zinc/99/57/33/542995733.db2.gz KHUUBWHMBSSGDK-UHFFFAOYSA-N 0 3 374.441 1.686 20 5 FDBDHN CC1(C)C[C@@H](NCC2(O)CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000551572794 543304445 /nfs/dbraw/zinc/30/44/45/543304445.db2.gz WILPWOKARHAKSL-OAHLLOKOSA-N 0 3 368.455 1.847 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000552099981 543417879 /nfs/dbraw/zinc/41/78/79/543417879.db2.gz ZIYOOBDNTLKILK-RYUDHWBXSA-N 0 3 369.443 1.867 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000552158646 543427469 /nfs/dbraw/zinc/42/74/69/543427469.db2.gz XHVUIYBMQKOCNJ-KBPBESRZSA-N 0 3 362.411 1.465 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)n1 ZINC000552473928 543473607 /nfs/dbraw/zinc/47/36/07/543473607.db2.gz HSMOYUXRGVWVFZ-CQSZACIVSA-N 0 3 361.402 1.853 20 5 FDBDHN CC[C@H](CO)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072797852 172049696 /nfs/dbraw/zinc/04/96/96/172049696.db2.gz PNLSQNBBUZZVHI-OAHLLOKOSA-N 0 3 364.446 1.620 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000103449213 172365778 /nfs/dbraw/zinc/36/57/78/172365778.db2.gz WPCJWHJIULOIBJ-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000103633337 172370843 /nfs/dbraw/zinc/37/08/43/172370843.db2.gz AZXBHECIILUGIU-UHFFFAOYSA-N 0 3 368.821 1.987 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000134297335 173322094 /nfs/dbraw/zinc/32/20/94/173322094.db2.gz WSWUGOPEDAPUOO-INIZCTEOSA-N 0 3 368.821 1.690 20 5 FDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137066922 173368175 /nfs/dbraw/zinc/36/81/75/173368175.db2.gz JQXIGEUDQSBEEM-GVDBMIGSSA-N 0 3 350.415 1.880 20 5 FDBDHN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC000150722299 173378794 /nfs/dbraw/zinc/37/87/94/173378794.db2.gz KIKMPZIKSQUDKA-AWEZNQCLSA-N 0 3 351.403 1.448 20 5 FDBDHN COc1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000150810038 173381926 /nfs/dbraw/zinc/38/19/26/173381926.db2.gz KTRBXCOSHQIJGW-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150871646 173383648 /nfs/dbraw/zinc/38/36/48/173383648.db2.gz YHFYUFBOHWNYQP-ZDUSSCGKSA-N 0 3 359.448 1.538 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000177837580 174160207 /nfs/dbraw/zinc/16/02/07/174160207.db2.gz FNSITDCEEINYOQ-HIFRSBDPSA-N 0 3 362.430 1.491 20 5 FDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000181447767 174225792 /nfs/dbraw/zinc/22/57/92/174225792.db2.gz HBHCEIIAWYVUNX-CXAGYDPISA-N 0 3 373.413 1.630 20 5 FDBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000174245283 258322150 /nfs/dbraw/zinc/32/21/50/258322150.db2.gz IHXFXSIIRIJSNS-UHFFFAOYSA-N 0 3 363.414 1.687 20 5 FDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178820498 258336221 /nfs/dbraw/zinc/33/62/21/258336221.db2.gz JZGSVYWISQJEGS-GJZGRUSLSA-N 0 3 362.430 1.576 20 5 FDBDHN CN(C(=O)CN1CCN(C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178829714 258336854 /nfs/dbraw/zinc/33/68/54/258336854.db2.gz HVZSLAWXZSFZHF-HNNXBMFYSA-N 0 3 362.430 1.212 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178823388 258336901 /nfs/dbraw/zinc/33/69/01/258336901.db2.gz RXKADMIFOZYDTR-HUUCEWRRSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000181920677 258378368 /nfs/dbraw/zinc/37/83/68/258378368.db2.gz FRQOMLLNQJKBNL-CVEARBPZSA-N 0 3 365.430 1.131 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000193206321 258393173 /nfs/dbraw/zinc/39/31/73/258393173.db2.gz GCEQQQMFZTYXNF-CQSZACIVSA-N 0 3 370.475 1.208 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000554845686 543880290 /nfs/dbraw/zinc/88/02/90/543880290.db2.gz DVTKQPKWXIAFQM-DAYGRLMNSA-N 0 3 351.447 1.539 20 5 FDBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1c[nH]nc1[N+](=O)[O-] ZINC000555309132 543940699 /nfs/dbraw/zinc/94/06/99/543940699.db2.gz ZBLKPHHZWZWOSL-CQSZACIVSA-N 0 3 359.386 1.339 20 5 FDBDHN O=C(CNC(=O)Cc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000557128858 544249656 /nfs/dbraw/zinc/24/96/56/544249656.db2.gz LTACQYMGKCEMSO-UHFFFAOYSA-N 0 3 362.430 1.246 20 5 FDBDHN CCN(CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000299510165 259002856 /nfs/dbraw/zinc/00/28/56/259002856.db2.gz MGNZRQUOOUCDFP-KRWDZBQOSA-N 0 3 372.425 1.956 20 5 FDBDHN Cc1n[n-]c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000299559747 259006307 /nfs/dbraw/zinc/00/63/07/259006307.db2.gz SXMMUTXGZDQIJX-LBPRGKRZSA-N 0 3 373.413 1.777 20 5 FDBDHN Cc1n[n-]c(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000299559747 259006308 /nfs/dbraw/zinc/00/63/08/259006308.db2.gz SXMMUTXGZDQIJX-LBPRGKRZSA-N 0 3 373.413 1.777 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000301430308 259027877 /nfs/dbraw/zinc/02/78/77/259027877.db2.gz NZNIBHCYJDVHRL-MNOVXSKESA-N 0 3 364.358 1.963 20 5 FDBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@H](C)O1 ZINC000301524453 259029313 /nfs/dbraw/zinc/02/93/13/259029313.db2.gz FLMRFPSFHWRUKM-BETUJISGSA-N 0 3 364.450 1.683 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3CN3CC[C@@H](O)C3)nn21 ZINC000302027789 259037588 /nfs/dbraw/zinc/03/75/88/259037588.db2.gz ALGNCBZSNZUAEX-OAHLLOKOSA-N 0 3 368.397 1.816 20 5 FDBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000330801451 259163247 /nfs/dbraw/zinc/16/32/47/259163247.db2.gz HTWYKLXICDBPNX-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(CCc2ccncc2)CC1 ZINC000367930952 260111205 /nfs/dbraw/zinc/11/12/05/260111205.db2.gz MLECPHNLXICUCY-UHFFFAOYSA-N 0 3 370.413 1.635 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368807946 260239750 /nfs/dbraw/zinc/23/97/50/260239750.db2.gz ZYULFSQDSXRTKS-UHFFFAOYSA-N 0 3 363.443 1.942 20 5 FDBDHN CCc1nccc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374121671 261081140 /nfs/dbraw/zinc/08/11/40/261081140.db2.gz OGJRQDQZMWQLOP-DZGCQCFKSA-N 0 3 360.418 1.384 20 5 FDBDHN O=C1[C@@H](N2CCC[C@H](c3nc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374551430 261151844 /nfs/dbraw/zinc/15/18/44/261151844.db2.gz XDNIEKODTOAEOH-WFASDCNBSA-N 0 3 356.386 1.698 20 5 FDBDHN Cc1nc(CO[C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375395355 261329884 /nfs/dbraw/zinc/32/98/84/261329884.db2.gz RYUXYAVJFJGZIQ-CABCVRRESA-N 0 3 367.431 1.208 20 5 FDBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378375184 262015384 /nfs/dbraw/zinc/01/53/84/262015384.db2.gz ZSHDNXRNLZKYRZ-OAHLLOKOSA-N 0 3 360.458 1.764 20 5 FDBDHN CN(C)[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000016599696 518762999 /nfs/dbraw/zinc/76/29/99/518762999.db2.gz JVQANZKGQXIDNR-KRWDZBQOSA-N 0 3 370.409 1.744 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000026936751 519148682 /nfs/dbraw/zinc/14/86/82/519148682.db2.gz QMHQFDKHOJZHIH-UHFFFAOYSA-N 0 3 365.386 1.771 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000027740073 519194338 /nfs/dbraw/zinc/19/43/38/519194338.db2.gz ZWHUIGCELJJZCJ-GFCCVEGCSA-N 0 3 374.397 1.181 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000030496721 519371551 /nfs/dbraw/zinc/37/15/51/519371551.db2.gz XHSNJGNBRRFYLF-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN CC(C)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000041297811 519651116 /nfs/dbraw/zinc/65/11/16/519651116.db2.gz UARWSWQBUQHYCK-UHFFFAOYSA-N 0 3 362.430 1.705 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000041321237 519651778 /nfs/dbraw/zinc/65/17/78/519651778.db2.gz XQSRQWIAMIHXKZ-CYBMUJFWSA-N 0 3 366.418 1.634 20 5 FDBDHN COCCCNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000056307746 521833113 /nfs/dbraw/zinc/83/31/13/521833113.db2.gz ZFXPNGORZLVQMX-UHFFFAOYSA-N 0 3 365.430 1.838 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000069501881 521895053 /nfs/dbraw/zinc/89/50/53/521895053.db2.gz DEUMNXINXCAQRL-AWEZNQCLSA-N 0 3 353.423 1.025 20 5 FDBDHN COc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000044669000 521983028 /nfs/dbraw/zinc/98/30/28/521983028.db2.gz SCWSKPOVJRSZDK-KRWDZBQOSA-N 0 3 373.413 1.753 20 5 FDBDHN CN(C)CCn1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000057854506 522170453 /nfs/dbraw/zinc/17/04/53/522170453.db2.gz PWODWEIGCOSLBX-UHFFFAOYSA-N 0 3 353.404 1.500 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000046947133 522395056 /nfs/dbraw/zinc/39/50/56/522395056.db2.gz TZENSFKFSFRGEQ-CQSZACIVSA-N 0 3 350.419 1.116 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073018549 522448673 /nfs/dbraw/zinc/44/86/73/522448673.db2.gz SNADNFPCSPWFHE-CYBMUJFWSA-N 0 3 363.414 1.899 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000073418250 522522976 /nfs/dbraw/zinc/52/29/76/522522976.db2.gz WUYZWCXBPPAALO-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000064994971 522768669 /nfs/dbraw/zinc/76/86/69/522768669.db2.gz GMRHDMFORBLNLP-CABCVRRESA-N 0 3 365.430 1.837 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(C)C)CC1 ZINC000075635412 522947841 /nfs/dbraw/zinc/94/78/41/522947841.db2.gz FTEWSHIYRHFEPG-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN(C)CCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000066373524 523037206 /nfs/dbraw/zinc/03/72/06/523037206.db2.gz LGGRDQDBOKVDOP-UHFFFAOYSA-N 0 3 358.464 1.989 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CC2CC2)CC1 ZINC000077196131 523262366 /nfs/dbraw/zinc/26/23/66/523262366.db2.gz UZNLHZXMQSWQSH-UHFFFAOYSA-N 0 3 362.430 1.960 20 5 FDBDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000077804692 523470697 /nfs/dbraw/zinc/47/06/97/523470697.db2.gz GVLAGPPRBLODCQ-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067636544 523530389 /nfs/dbraw/zinc/53/03/89/523530389.db2.gz CDLXCFGUAFXXLO-INIZCTEOSA-N 0 3 350.419 1.487 20 5 FDBDHN Cc1nn(CCC(=O)NC[C@H](O)CN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000078761834 523649048 /nfs/dbraw/zinc/64/90/48/523649048.db2.gz PLMPUXXIPOBVAQ-HNNXBMFYSA-N 0 3 367.450 1.007 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080037850 523824617 /nfs/dbraw/zinc/82/46/17/523824617.db2.gz OJWDHSXZTNKENI-AWEZNQCLSA-N 0 3 350.419 1.258 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000138542231 524259654 /nfs/dbraw/zinc/25/96/54/524259654.db2.gz PCHVIEGTMUYBDM-UHFFFAOYSA-N 0 3 373.413 1.621 20 5 FDBDHN CCC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCOC ZINC000121812402 524370953 /nfs/dbraw/zinc/37/09/53/524370953.db2.gz FUXSPAVCJJTDLY-INIZCTEOSA-N 0 3 364.446 1.626 20 5 FDBDHN O=c1[nH]cnc2cc(NC3CCN([C@@H]4CCOC4)CC3)c([N+](=O)[O-])cc21 ZINC000089603095 524513363 /nfs/dbraw/zinc/51/33/63/524513363.db2.gz RBBICIMVOPLNDP-GFCCVEGCSA-N 0 3 359.386 1.497 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000090590789 524606812 /nfs/dbraw/zinc/60/68/12/524606812.db2.gz HBARMPNQNXMXLT-CABCVRRESA-N 0 3 353.444 1.743 20 5 FDBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000122768057 524613704 /nfs/dbraw/zinc/61/37/04/524613704.db2.gz XSUFTUMAXAPPPT-AWEZNQCLSA-N 0 3 352.435 1.629 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000174762603 524728579 /nfs/dbraw/zinc/72/85/79/524728579.db2.gz SGDUJXSQLNLEHQ-SFHVURJKSA-N 0 3 374.441 1.876 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000114380131 524782930 /nfs/dbraw/zinc/78/29/30/524782930.db2.gz NQWVNXONLSZLAB-CYBMUJFWSA-N 0 3 366.487 1.930 20 5 FDBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)c2ncccc12 ZINC000114450827 524802352 /nfs/dbraw/zinc/80/23/52/524802352.db2.gz WFYKJJCJOKMKOO-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000175116122 524877666 /nfs/dbraw/zinc/87/76/66/524877666.db2.gz FUTAMKBHDXLFAF-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN CN(C)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000176377994 525113105 /nfs/dbraw/zinc/11/31/05/525113105.db2.gz HQGFCFVAPSTMKI-LLVKDONJSA-N 0 3 354.432 1.281 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000161830178 525174151 /nfs/dbraw/zinc/17/41/51/525174151.db2.gz GDWCCKHQODKMNC-CQSZACIVSA-N 0 3 355.460 1.789 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000125286786 525184363 /nfs/dbraw/zinc/18/43/63/525184363.db2.gz GXSSJUJMLJOQOI-UHFFFAOYSA-N 0 3 374.363 1.981 20 5 FDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCN1CCOCC1 ZINC000117341416 525324250 /nfs/dbraw/zinc/32/42/50/525324250.db2.gz QVCIHHXYPYDWMT-UHFFFAOYSA-N 0 3 364.402 1.157 20 5 FDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N(C)C1CC1 ZINC000128447983 525543562 /nfs/dbraw/zinc/54/35/62/525543562.db2.gz BJFMQICRMHFFLK-CYBMUJFWSA-N 0 3 362.430 1.644 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154634588 525597152 /nfs/dbraw/zinc/59/71/52/525597152.db2.gz IHKNLZFBPIYQKG-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155392310 525850382 /nfs/dbraw/zinc/85/03/82/525850382.db2.gz KPONVHCGWSURIU-ZBFHGGJFSA-N 0 3 360.414 1.267 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155468225 525874247 /nfs/dbraw/zinc/87/42/47/525874247.db2.gz LOSLJKCPKOAJSE-IOASZLSFSA-N 0 3 362.430 1.558 20 5 FDBDHN COCCCN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171200838 525894430 /nfs/dbraw/zinc/89/44/30/525894430.db2.gz FYDYCJRBKKDBQM-UHFFFAOYSA-N 0 3 364.446 1.937 20 5 FDBDHN CC(=O)c1ccc(Sc2nnnn2C[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000131964763 525923318 /nfs/dbraw/zinc/92/33/18/525923318.db2.gz JLQMXVIAYHHFEL-NSHDSACASA-N 0 3 362.415 1.887 20 5 FDBDHN CCO[C@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000181971386 526002861 /nfs/dbraw/zinc/00/28/61/526002861.db2.gz WWMMGLSJONWAQO-CABCVRRESA-N 0 3 371.459 1.666 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156269662 526097103 /nfs/dbraw/zinc/09/71/03/526097103.db2.gz BTTDUABMLIVMTM-GDBMZVCRSA-N 0 3 353.444 1.841 20 5 FDBDHN COc1cc(CNCCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000171766751 526113129 /nfs/dbraw/zinc/11/31/29/526113129.db2.gz ACDAOTFKBSPLAK-UHFFFAOYSA-N 0 3 353.419 1.812 20 5 FDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000109717095 526169132 /nfs/dbraw/zinc/16/91/32/526169132.db2.gz GWQAOIBQRTUREP-ZBFHGGJFSA-N 0 3 370.409 1.708 20 5 FDBDHN Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000120891343 526213494 /nfs/dbraw/zinc/21/34/94/526213494.db2.gz QRSKFKVRYOUSQT-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000183383125 535971002 /nfs/dbraw/zinc/97/10/02/535971002.db2.gz FISDVDSCEBARDM-OAHLLOKOSA-N 0 3 360.414 1.330 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000183423860 535978301 /nfs/dbraw/zinc/97/83/01/535978301.db2.gz LNSUPGRDGHCWHN-UHFFFAOYSA-N 0 3 364.446 1.679 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000183941331 536069583 /nfs/dbraw/zinc/06/95/83/536069583.db2.gz DRHPKLNCGSEUMW-UHFFFAOYSA-N 0 3 360.208 1.401 20 5 FDBDHN CC[C@H]1CN(c2ccccc2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184019093 536081960 /nfs/dbraw/zinc/08/19/60/536081960.db2.gz OOYNVWARPBJZHP-YJBOKZPZSA-N 0 3 359.430 1.753 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000184029089 536082783 /nfs/dbraw/zinc/08/27/83/536082783.db2.gz UCCJBCZEBUUJSI-WBVHZDCISA-N 0 3 374.441 1.576 20 5 FDBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184238524 536121877 /nfs/dbraw/zinc/12/18/77/536121877.db2.gz YCYWNEJKRFUMNR-UHFFFAOYSA-N 0 3 359.390 1.678 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185007124 536195763 /nfs/dbraw/zinc/19/57/63/536195763.db2.gz SYWZVJVLHFMNLE-UONOGXRCSA-N 0 3 366.437 1.980 20 5 FDBDHN CCOc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000185281919 536204206 /nfs/dbraw/zinc/20/42/06/536204206.db2.gz HOYJDQSBEWYTHW-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN O=C(NCc1ccc2c(c1)CNC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000188709766 536932281 /nfs/dbraw/zinc/93/22/81/536932281.db2.gz VARFGWMGAVCQIV-UHFFFAOYSA-N 0 3 364.365 1.709 20 5 FDBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000188733225 536937786 /nfs/dbraw/zinc/93/77/86/536937786.db2.gz CWLHGCBRKKLTSO-UHFFFAOYSA-N 0 3 364.365 1.709 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000246445811 536956371 /nfs/dbraw/zinc/95/63/71/536956371.db2.gz DXEQUCMNHIRLHP-CFVMTHIKSA-N 0 3 366.443 1.802 20 5 FDBDHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267241226 536964993 /nfs/dbraw/zinc/96/49/93/536964993.db2.gz BMJVIWJFSYPLLT-HNNXBMFYSA-N 0 3 352.416 1.087 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246512187 536970013 /nfs/dbraw/zinc/97/00/13/536970013.db2.gz BTTDUABMLIVMTM-HOCLYGCPSA-N 0 3 353.444 1.841 20 5 FDBDHN O=C(CCN1CCC[C@H](OCCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189013874 536985897 /nfs/dbraw/zinc/98/58/97/536985897.db2.gz DKYNVEIRVNIBLU-ZDUSSCGKSA-N 0 3 355.366 1.536 20 5 FDBDHN Cc1sc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000263683213 537064135 /nfs/dbraw/zinc/06/41/35/537064135.db2.gz HKABMIWTGLIADX-LBPRGKRZSA-N 0 3 368.459 1.637 20 5 FDBDHN CC(C)N1C[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247304586 537105729 /nfs/dbraw/zinc/10/57/29/537105729.db2.gz LOSLJKCPKOAJSE-XEZPLFJOSA-N 0 3 362.430 1.558 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247414396 537117576 /nfs/dbraw/zinc/11/75/76/537117576.db2.gz NLXVAZPNRRGEGP-DVOMOZLQSA-N 0 3 362.430 1.512 20 5 FDBDHN COCCN1CC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265613718 537162337 /nfs/dbraw/zinc/16/23/37/537162337.db2.gz OOFHBTGRCDPJDR-ZDUSSCGKSA-N 0 3 352.391 1.123 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265936472 537179293 /nfs/dbraw/zinc/17/92/93/537179293.db2.gz HKTRXDMHNMIPMJ-UHFFFAOYSA-N 0 3 355.391 1.262 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266303727 537196963 /nfs/dbraw/zinc/19/69/63/537196963.db2.gz YZACTBIIUFFEIH-RYUDHWBXSA-N 0 3 356.448 1.422 20 5 FDBDHN COc1cccc(CN(CCN(C)C)C(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000191949338 537215684 /nfs/dbraw/zinc/21/56/84/537215684.db2.gz DKJSAPIDDUJRHF-UHFFFAOYSA-N 0 3 361.402 1.390 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000249055263 537226101 /nfs/dbraw/zinc/22/61/01/537226101.db2.gz OQSQMWKUYCRHLW-BZUAXINKSA-N 0 3 366.805 1.925 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000249130353 537231230 /nfs/dbraw/zinc/23/12/30/537231230.db2.gz CXESLMBDZIWYSS-QMTHXVAHSA-N 0 3 368.821 1.985 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000249130349 537231406 /nfs/dbraw/zinc/23/14/06/537231406.db2.gz CXESLMBDZIWYSS-IINYFYTJSA-N 0 3 368.821 1.985 20 5 FDBDHN COC(CN(CCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000298753531 537300591 /nfs/dbraw/zinc/30/05/91/537300591.db2.gz CKGNUGXVNMVRRR-UHFFFAOYSA-N 0 3 355.391 1.227 20 5 FDBDHN C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272947640 537364520 /nfs/dbraw/zinc/36/45/20/537364520.db2.gz MMMXHLWTVSJDCK-GFCCVEGCSA-N 0 3 356.386 1.556 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270726290 537372162 /nfs/dbraw/zinc/37/21/62/537372162.db2.gz IYTNCTASILXVLT-STQMWFEESA-N 0 3 354.388 1.621 20 5 FDBDHN COCCN(C)CCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273047302 537389146 /nfs/dbraw/zinc/38/91/46/537389146.db2.gz ULXFMGGUXCFJLA-INIZCTEOSA-N 0 3 364.402 1.172 20 5 FDBDHN C[C@@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000273085412 537392740 /nfs/dbraw/zinc/39/27/40/537392740.db2.gz RNAFYGZBEQEVMF-IAGOWNOFSA-N 0 3 363.370 1.809 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000299041763 537417674 /nfs/dbraw/zinc/41/76/74/537417674.db2.gz XQWGQHQOJJVJOB-MRVPVSSYSA-N 0 3 360.317 1.201 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365583347 537555031 /nfs/dbraw/zinc/55/50/31/537555031.db2.gz XZQKICHBMMBTQV-DLBZAZTESA-N 0 3 371.397 1.374 20 5 FDBDHN NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000285124788 537621464 /nfs/dbraw/zinc/62/14/64/537621464.db2.gz NWJKYERFGHWRGR-CYBMUJFWSA-N 0 3 358.358 1.020 20 5 FDBDHN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000285124788 537621467 /nfs/dbraw/zinc/62/14/67/537621467.db2.gz NWJKYERFGHWRGR-CYBMUJFWSA-N 0 3 358.358 1.020 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291586454 537634637 /nfs/dbraw/zinc/63/46/37/537634637.db2.gz CYLFWMOHPVHHSA-UHFFFAOYSA-N 0 3 350.202 1.946 20 5 FDBDHN Cc1nn(Cc2ccc(C(=O)N3CCCNCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636031 537635380 /nfs/dbraw/zinc/63/53/80/537635380.db2.gz PGDGROSKMGUVGO-UHFFFAOYSA-N 0 3 357.414 1.892 20 5 FDBDHN CON(C)C(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000291662475 537654862 /nfs/dbraw/zinc/65/48/62/537654862.db2.gz FVWKOYKLRYAGFH-AWEZNQCLSA-N 0 3 367.402 1.066 20 5 FDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292298281 537726119 /nfs/dbraw/zinc/72/61/19/537726119.db2.gz UQYZQPLNBZLSKR-QIIPPGSGSA-N 0 3 373.409 1.582 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414569566 537837955 /nfs/dbraw/zinc/83/79/55/537837955.db2.gz IOFDMYRCASISEF-KBPBESRZSA-N 0 3 352.387 1.787 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000366900289 537883321 /nfs/dbraw/zinc/88/33/21/537883321.db2.gz GBXZFTNCUDQDKW-ZDUSSCGKSA-N 0 3 366.418 1.914 20 5 FDBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419389431 538055892 /nfs/dbraw/zinc/05/58/92/538055892.db2.gz FGYWGLPQJYMEQM-GOEBONIOSA-N 0 3 361.402 1.399 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@@H]21 ZINC000372978413 538073421 /nfs/dbraw/zinc/07/34/21/538073421.db2.gz LOEJGWCVZOQSOC-YOEHRIQHSA-N 0 3 374.441 1.598 20 5 FDBDHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423629440 538124878 /nfs/dbraw/zinc/12/48/78/538124878.db2.gz XHOWSVQUTRUSOJ-WBVHZDCISA-N 0 3 374.441 1.641 20 5 FDBDHN COC(=O)Cc1ccc(Nc2ccn(C3CCN(C)CC3)n2)c([N+](=O)[O-])c1 ZINC000450481654 538131183 /nfs/dbraw/zinc/13/11/83/538131183.db2.gz DXULRMMBFJNZRS-UHFFFAOYSA-N 0 3 373.413 2.517 20 5 FDBDHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H]1CN ZINC000423717440 538149371 /nfs/dbraw/zinc/14/93/71/538149371.db2.gz AYRMIHNRCVKOCR-CZUORRHYSA-N 0 3 362.430 1.182 20 5 FDBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000450777259 538157662 /nfs/dbraw/zinc/15/76/62/538157662.db2.gz SHHWWQNGDUHFES-INIZCTEOSA-N 0 3 361.446 1.760 20 5 FDBDHN COC(=O)c1cc([N-]C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000433400387 538238801 /nfs/dbraw/zinc/23/88/01/538238801.db2.gz SRBLXFFTVUKAMV-GFCCVEGCSA-N 0 3 374.357 1.150 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000442114513 538355558 /nfs/dbraw/zinc/35/55/58/538355558.db2.gz AMOYTVPEXSFYKY-WDEREUQCSA-N 0 3 350.375 1.141 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[C@H](O)CN3Cc3ccccc3)nc2c1 ZINC000447670247 538391992 /nfs/dbraw/zinc/39/19/92/538391992.db2.gz LZMLMMZKRIALLX-CVEARBPZSA-N 0 3 367.409 1.940 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)nc2c1 ZINC000447670248 538392838 /nfs/dbraw/zinc/39/28/38/538392838.db2.gz LZMLMMZKRIALLX-HOTGVXAUSA-N 0 3 367.409 1.940 20 5 FDBDHN COc1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000457917869 538529417 /nfs/dbraw/zinc/52/94/17/538529417.db2.gz HDLYWJDLMRMMCL-CQSZACIVSA-N 0 3 366.418 1.249 20 5 FDBDHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000472629686 538677545 /nfs/dbraw/zinc/67/75/45/538677545.db2.gz VQFBXVZEENDUDD-HZMBPMFUSA-N 0 3 352.366 1.517 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[C@@H]1C ZINC000469482138 538797840 /nfs/dbraw/zinc/79/78/40/538797840.db2.gz PSLSQJXCVHRKFU-AAEUAGOBSA-N 0 3 352.439 1.380 20 5 FDBDHN CSC1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000562179265 546047931 /nfs/dbraw/zinc/04/79/31/546047931.db2.gz SRXTWERWCZQGMZ-UHFFFAOYSA-N 0 3 353.444 1.917 20 5 FDBDHN CNc1nc(C(=O)Nc2cnccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000562596724 546190557 /nfs/dbraw/zinc/19/05/57/546190557.db2.gz OTQTXIGERBOGRI-UHFFFAOYSA-N 0 3 371.401 1.431 20 5 FDBDHN CNc1nc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000562596724 546190562 /nfs/dbraw/zinc/19/05/62/546190562.db2.gz OTQTXIGERBOGRI-UHFFFAOYSA-N 0 3 371.401 1.431 20 5 FDBDHN N[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000562814499 546281332 /nfs/dbraw/zinc/28/13/32/546281332.db2.gz ACYYAEONQAXPCA-MRXNPFEDSA-N 0 3 370.413 1.521 20 5 FDBDHN Cc1ccc(Cl)c(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000562997059 546347135 /nfs/dbraw/zinc/34/71/35/546347135.db2.gz QFOCFSPRKNPWHF-ZDUSSCGKSA-N 0 3 354.794 1.783 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000563866245 546713135 /nfs/dbraw/zinc/71/31/35/546713135.db2.gz SLSBCXXFDKJCNZ-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000563886457 546723993 /nfs/dbraw/zinc/72/39/93/546723993.db2.gz YLWPZHALUHZAOV-UHFFFAOYSA-N 0 3 359.404 1.032 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2Cn2cccn2)c1 ZINC000564565275 546954886 /nfs/dbraw/zinc/95/48/86/546954886.db2.gz VBBXSOPUPRBITJ-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000564817407 547050379 /nfs/dbraw/zinc/05/03/79/547050379.db2.gz ZWFLLNNCIUKUAA-AWEZNQCLSA-N 0 3 360.414 1.032 20 5 FDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564854197 547068247 /nfs/dbraw/zinc/06/82/47/547068247.db2.gz JZOVXNQCDXGESR-BFHYXJOUSA-N 0 3 372.443 1.280 20 5 FDBDHN CCc1ccccc1[C@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565765290 547472042 /nfs/dbraw/zinc/47/20/42/547472042.db2.gz XYQIQIBDJIAXFC-CYBMUJFWSA-N 0 3 350.400 1.531 20 5 FDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566655072 547841272 /nfs/dbraw/zinc/84/12/72/547841272.db2.gz PKMNHASDBLTEGY-CQSZACIVSA-N 0 3 362.430 1.990 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(C)C ZINC000567164897 548018142 /nfs/dbraw/zinc/01/81/42/548018142.db2.gz DGDXKFJBBLSYJU-DYVFJYSZSA-N 0 3 365.434 1.487 20 5 FDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2cccc3ccccc32)c1 ZINC000567345555 548085354 /nfs/dbraw/zinc/08/53/54/548085354.db2.gz LQRQFKKLEUHZFK-MRXNPFEDSA-N 0 3 356.382 1.974 20 5 FDBDHN CN(C)C(=O)c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000571120289 549533221 /nfs/dbraw/zinc/53/32/21/549533221.db2.gz GZSOMERJOSVWDX-INIZCTEOSA-N 0 3 373.409 1.826 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000571158484 549546407 /nfs/dbraw/zinc/54/64/07/549546407.db2.gz KCXURAURLOKVTQ-BBRMVZONSA-N 0 3 370.427 1.296 20 5 FDBDHN CSCc1cc(F)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575040041 550413620 /nfs/dbraw/zinc/41/36/20/550413620.db2.gz JFTCYZCTGVNXIP-HNNXBMFYSA-N 0 3 354.407 1.944 20 5 FDBDHN CCCC(=O)Nc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000575796670 550476982 /nfs/dbraw/zinc/47/69/82/550476982.db2.gz LLBKQNYUAKXAFK-MRXNPFEDSA-N 0 3 361.402 1.681 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000576622485 550568952 /nfs/dbraw/zinc/56/89/52/550568952.db2.gz KKYLXMMBDZGCEF-BETUJISGSA-N 0 3 350.419 1.956 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)Cc1ccc(O)cc1 ZINC000578507146 550771062 /nfs/dbraw/zinc/77/10/62/550771062.db2.gz FSIKQDGCBIJMJS-GOEBONIOSA-N 0 3 362.382 1.233 20 5 FDBDHN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000579001254 550824995 /nfs/dbraw/zinc/82/49/95/550824995.db2.gz HDQNJAXMSMIOBI-QWRGUYRKSA-N 0 3 354.382 1.020 20 5 FDBDHN CNC(=O)c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584464400 551500790 /nfs/dbraw/zinc/50/07/90/551500790.db2.gz GSYQIVMPMZROHB-OAHLLOKOSA-N 0 3 359.382 1.484 20 5 FDBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860126 551693823 /nfs/dbraw/zinc/69/38/23/551693823.db2.gz DUCBSNFYYYTSGK-GJZGRUSLSA-N 0 3 371.397 1.062 20 5 FDBDHN C[C@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1=CCN(C)CC1 ZINC000589189959 551716435 /nfs/dbraw/zinc/71/64/35/551716435.db2.gz FASNXOMTGUOROA-ZDUSSCGKSA-N 0 3 372.425 1.246 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCN([C@@H]2CCOC2)CC1 ZINC000589841387 551747812 /nfs/dbraw/zinc/74/78/12/551747812.db2.gz WNMOHKNTIFCYFI-GFCCVEGCSA-N 0 3 369.368 1.785 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047152 551757844 /nfs/dbraw/zinc/75/78/44/551757844.db2.gz VHFIYVWSUOMFNL-SWLSCSKDSA-N 0 3 372.381 1.024 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402032 551780982 /nfs/dbraw/zinc/78/09/82/551780982.db2.gz QPLVXRAJDTUEAK-IRXDYDNUSA-N 0 3 362.430 1.718 20 5 FDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590589856 551795945 /nfs/dbraw/zinc/79/59/45/551795945.db2.gz RFBIWFUWRAZPHW-WDEREUQCSA-N 0 3 371.415 1.079 20 5 FDBDHN COCC1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000590602288 551797441 /nfs/dbraw/zinc/79/74/41/551797441.db2.gz ZQEHDAHDFGSALA-UHFFFAOYSA-N 0 3 353.375 1.327 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCCN1CCO)OCCO2 ZINC000590655118 551801697 /nfs/dbraw/zinc/80/16/97/551801697.db2.gz KPQLEJPVUSMESC-CQSZACIVSA-N 0 3 351.403 1.302 20 5 FDBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(N2CCCC2)n1 ZINC000591759823 551906551 /nfs/dbraw/zinc/90/65/51/551906551.db2.gz YKIOMVKZORQJCR-INIZCTEOSA-N 0 3 360.418 1.246 20 5 FDBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592154654 551951191 /nfs/dbraw/zinc/95/11/91/551951191.db2.gz HYDPQHMOVUKJLE-MRXNPFEDSA-N 0 3 370.409 1.395 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592196233 551956917 /nfs/dbraw/zinc/95/69/17/551956917.db2.gz MAGBOYMPCIIGSE-TZMCWYRMSA-N 0 3 365.386 1.088 20 5 FDBDHN COc1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592243612 551966325 /nfs/dbraw/zinc/96/63/25/551966325.db2.gz BGUJJCMEMOXWAV-NSHDSACASA-N 0 3 365.390 1.187 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592875087 552037739 /nfs/dbraw/zinc/03/77/39/552037739.db2.gz WEGIYCFFTYBFPF-LBPRGKRZSA-N 0 3 364.402 1.186 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000592875443 552038118 /nfs/dbraw/zinc/03/81/18/552038118.db2.gz YSFTVKFAOQWFKE-LLVKDONJSA-N 0 3 359.386 1.268 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000593069770 552058118 /nfs/dbraw/zinc/05/81/18/552058118.db2.gz UNRGUEHEQIUKRP-OALUTQOASA-N 0 3 371.441 1.767 20 5 FDBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593090481 552060823 /nfs/dbraw/zinc/06/08/23/552060823.db2.gz XZVCDPKXBHNNLB-SJLPKXTDSA-N 0 3 359.430 1.011 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593133592 552065997 /nfs/dbraw/zinc/06/59/97/552065997.db2.gz LNKUITZBMJJVRD-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593468022 552113473 /nfs/dbraw/zinc/11/34/73/552113473.db2.gz RUFHPIMCWASRRM-AWEZNQCLSA-N 0 3 366.437 1.666 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)nc1 ZINC000593495850 552117434 /nfs/dbraw/zinc/11/74/34/552117434.db2.gz KWUDCOIMDBXZFV-SJORKVTESA-N 0 3 355.398 1.865 20 5 FDBDHN COC(=O)COc1ccc(CNCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593687165 552173714 /nfs/dbraw/zinc/17/37/14/552173714.db2.gz CWVIYWPJGLLXCR-KRWDZBQOSA-N 0 3 368.386 1.168 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN1CCCCC1 ZINC000593882397 552216417 /nfs/dbraw/zinc/21/64/17/552216417.db2.gz FPZLEZITTBMQOJ-CQSZACIVSA-N 0 3 362.430 1.657 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594326709 552288638 /nfs/dbraw/zinc/28/86/38/552288638.db2.gz QOOOQWGTNNVHRW-GDBMZVCRSA-N 0 3 360.414 1.975 20 5 FDBDHN CNc1nccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000594368621 552296674 /nfs/dbraw/zinc/29/66/74/552296674.db2.gz KTQFNIGYJXAKEQ-UHFFFAOYSA-N 0 3 363.443 2.297 20 5 FDBDHN CCc1cc(N2CCN3C[C@H](O)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594603051 552340148 /nfs/dbraw/zinc/34/01/48/552340148.db2.gz HPYBVFFLTDLOHL-DLBZAZTESA-N 0 3 369.425 1.869 20 5 FDBDHN N[C@@H]1C[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000594694225 552356204 /nfs/dbraw/zinc/35/62/04/552356204.db2.gz HFMXQVMZIFTNRO-VHSXEESVSA-N 0 3 355.192 1.106 20 5 FDBDHN CC(C)(C)N1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594802565 552390541 /nfs/dbraw/zinc/39/05/41/552390541.db2.gz XNHZXAXSCDXAJS-AWEZNQCLSA-N 0 3 355.460 1.930 20 5 FDBDHN COc1cc(CNC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000594994867 552434445 /nfs/dbraw/zinc/43/44/45/552434445.db2.gz WSSDEQDPJRUTMV-OAHLLOKOSA-N 0 3 365.430 1.955 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000595617556 552593405 /nfs/dbraw/zinc/59/34/05/552593405.db2.gz WFWYCVUWSBGPJM-INIZCTEOSA-N 0 3 363.414 1.515 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595636342 552596272 /nfs/dbraw/zinc/59/62/72/552596272.db2.gz XOHFZQUHQMWEGJ-LXZKKBNFSA-N 0 3 365.430 1.997 20 5 FDBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000595767273 552613262 /nfs/dbraw/zinc/61/32/62/552613262.db2.gz BBJPRRZFCQKWEI-CZUORRHYSA-N 0 3 357.414 1.928 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000595891077 552629283 /nfs/dbraw/zinc/62/92/83/552629283.db2.gz KKZPCCCTMVGKQN-ZDUSSCGKSA-N 0 3 374.363 1.724 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596049297 552649823 /nfs/dbraw/zinc/64/98/23/552649823.db2.gz DMXGEGWGMZFDHX-SECBINFHSA-N 0 3 357.310 1.114 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c1C ZINC000596049264 552649868 /nfs/dbraw/zinc/64/98/68/552649868.db2.gz CRYRCCYUANXYKY-LLVKDONJSA-N 0 3 355.338 1.722 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000596068983 552652116 /nfs/dbraw/zinc/65/21/16/552652116.db2.gz CNAZXIMOQPOKOT-HOTGVXAUSA-N 0 3 361.402 1.041 20 5 FDBDHN CCN1CCN(CCNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000596077229 552653234 /nfs/dbraw/zinc/65/32/34/552653234.db2.gz RNFQCQGRIFXPOA-UHFFFAOYSA-N 0 3 359.430 1.623 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)O1 ZINC000596156403 552660700 /nfs/dbraw/zinc/66/07/00/552660700.db2.gz PDHRSDCZSRAFTE-BETUJISGSA-N 0 3 350.419 1.995 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596174556 552662108 /nfs/dbraw/zinc/66/21/08/552662108.db2.gz IMXBJDCKEBYEDF-LBPRGKRZSA-N 0 3 353.810 1.562 20 5 FDBDHN CC1CCN(c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000597652982 552817950 /nfs/dbraw/zinc/81/79/50/552817950.db2.gz GXLFHPMHBKVWCE-HNNXBMFYSA-N 0 3 364.446 1.483 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000597695477 552823089 /nfs/dbraw/zinc/82/30/89/552823089.db2.gz RPFPBBZJDNOZSO-UHFFFAOYSA-N 0 3 358.398 1.660 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597697703 552823643 /nfs/dbraw/zinc/82/36/43/552823643.db2.gz ZERKZYLZSGNKCZ-ZWKOTPCHSA-N 0 3 372.425 1.871 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597925895 552846436 /nfs/dbraw/zinc/84/64/36/552846436.db2.gz XXBIASIAXQPTQR-OLZOCXBDSA-N 0 3 366.466 1.816 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261558 552880449 /nfs/dbraw/zinc/88/04/49/552880449.db2.gz HCKNLOVPYQTKBN-AWEZNQCLSA-N 0 3 362.430 1.561 20 5 FDBDHN CN(C)[C@@]1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCSC1 ZINC000598602351 552913946 /nfs/dbraw/zinc/91/39/46/552913946.db2.gz SGCFBLRHSAWFMO-OAHLLOKOSA-N 0 3 368.463 1.071 20 5 FDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000599099399 552967531 /nfs/dbraw/zinc/96/75/31/552967531.db2.gz DYWHQMUXYXDCOR-UHFFFAOYSA-N 0 3 356.373 1.880 20 5 FDBDHN COCCN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599279862 553013694 /nfs/dbraw/zinc/01/36/94/553013694.db2.gz VLWAINOSUWTQDZ-UHFFFAOYSA-N 0 3 365.365 1.228 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585286 553096011 /nfs/dbraw/zinc/09/60/11/553096011.db2.gz FAANAVNMAJBWLX-BPLDGKMQSA-N 0 3 368.434 1.452 20 5 FDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599627785 553107115 /nfs/dbraw/zinc/10/71/15/553107115.db2.gz ZDNOQXQITAWKKD-MQPMOYQSSA-N 0 3 351.359 1.664 20 5 FDBDHN CCN(CCN)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599892035 553168970 /nfs/dbraw/zinc/16/89/70/553168970.db2.gz UGUYUMMGIDJOIV-UHFFFAOYSA-N 0 3 359.180 1.103 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCC1 ZINC000600470690 553273462 /nfs/dbraw/zinc/27/34/62/553273462.db2.gz HPIJQIGRKYXPLP-QGZVFWFLSA-N 0 3 374.441 1.848 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602440199 553581680 /nfs/dbraw/zinc/58/16/80/553581680.db2.gz JXQWRXJPONHXMO-KRWDZBQOSA-N 0 3 354.410 1.943 20 5 FDBDHN CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602874946 553657419 /nfs/dbraw/zinc/65/74/19/553657419.db2.gz WCADQUGEDAKSAY-PBHICJAKSA-N 0 3 351.447 1.997 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000603611355 553806264 /nfs/dbraw/zinc/80/62/64/553806264.db2.gz FQYYDMNHZICTEK-UHFFFAOYSA-N 0 3 359.386 1.477 20 5 FDBDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604097770 553842009 /nfs/dbraw/zinc/84/20/09/553842009.db2.gz VROGWVQJJNYVNV-UHFFFAOYSA-N 0 3 371.441 1.861 20 5 FDBDHN O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604097770 553842012 /nfs/dbraw/zinc/84/20/12/553842012.db2.gz VROGWVQJJNYVNV-UHFFFAOYSA-N 0 3 371.441 1.861 20 5 FDBDHN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCCC1 ZINC000609620752 554403582 /nfs/dbraw/zinc/40/35/82/554403582.db2.gz JRPBVZUBWKMVQW-OAHLLOKOSA-N 0 3 361.446 1.903 20 5 FDBDHN Cc1c([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000610810565 554565270 /nfs/dbraw/zinc/56/52/70/554565270.db2.gz ABTFWHXRHAEUGJ-CQSZACIVSA-N 0 3 370.475 1.131 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611092372 554604393 /nfs/dbraw/zinc/60/43/93/554604393.db2.gz ROUKTXIHOJUXLS-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@]3(CCOC3)C1)OCCO2 ZINC000611293332 554623505 /nfs/dbraw/zinc/62/35/05/554623505.db2.gz AKMFPEROFWDZQQ-SUMWQHHRSA-N 0 3 350.371 1.794 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(O)cc1 ZINC000611526528 554641970 /nfs/dbraw/zinc/64/19/70/554641970.db2.gz QTTCJOWCNWWLNV-UHFFFAOYSA-N 0 3 351.384 1.369 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000611565163 554647336 /nfs/dbraw/zinc/64/73/36/554647336.db2.gz CWAPMVKAPAJAOF-NSHDSACASA-N 0 3 367.431 1.440 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000611591162 554651242 /nfs/dbraw/zinc/65/12/42/554651242.db2.gz GVXCIQLRFLLMTI-JTQLQIEISA-N 0 3 353.404 1.098 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000611753509 554675427 /nfs/dbraw/zinc/67/54/27/554675427.db2.gz QRTVDJVGHQBUFS-HNNXBMFYSA-N 0 3 362.430 1.598 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618288405 555605341 /nfs/dbraw/zinc/60/53/41/555605341.db2.gz BJYNRYSDIIIWIF-INIZCTEOSA-N 0 3 372.429 1.385 20 5 FDBDHN COC1(CO)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618550731 555648672 /nfs/dbraw/zinc/64/86/72/555648672.db2.gz CPEKZWHODDBYQY-UHFFFAOYSA-N 0 3 365.386 1.366 20 5 FDBDHN CCN1CCN(c2cccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])c2)CC1 ZINC000290999244 567945917 /nfs/dbraw/zinc/94/59/17/567945917.db2.gz UXMHZUOYPJKJKP-UHFFFAOYSA-N 0 3 370.413 1.974 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000291709856 568278457 /nfs/dbraw/zinc/27/84/57/568278457.db2.gz GGWFSSVERAINHF-PBHICJAKSA-N 0 3 357.414 1.961 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000273141075 674510533 /nfs/dbraw/zinc/51/05/33/674510533.db2.gz KDASORDXMKTEOV-HUUCEWRRSA-N 0 3 350.346 1.797 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821596922 606040866 /nfs/dbraw/zinc/04/08/66/606040866.db2.gz YQUZDLBPXNYHAX-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821596922 606040867 /nfs/dbraw/zinc/04/08/67/606040867.db2.gz YQUZDLBPXNYHAX-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821596922 606040875 /nfs/dbraw/zinc/04/08/75/606040875.db2.gz YQUZDLBPXNYHAX-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821596922 606040881 /nfs/dbraw/zinc/04/08/81/606040881.db2.gz YQUZDLBPXNYHAX-ZDUSSCGKSA-N 0 3 357.418 1.943 20 5 FDBDHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000273507471 674543982 /nfs/dbraw/zinc/54/39/82/674543982.db2.gz ZSOPHBNTHBTVCR-STQMWFEESA-N 0 3 353.444 1.583 20 5 FDBDHN C[C@H]1NCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000262704155 672832625 /nfs/dbraw/zinc/83/26/25/672832625.db2.gz BGJRFCXSJUVVQA-ZJUUUORDSA-N 0 3 354.794 1.187 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363206015 676941136 /nfs/dbraw/zinc/94/11/36/676941136.db2.gz AEFKSGAUAOKXGR-RISCZKNCSA-N 0 3 350.331 1.096 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364542782 677027750 /nfs/dbraw/zinc/02/77/50/677027750.db2.gz FFFLYDHHQSUTJQ-LBPRGKRZSA-N 0 3 352.391 1.524 20 5 FDBDHN Cc1cnc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369788928 677516986 /nfs/dbraw/zinc/51/69/86/677516986.db2.gz GUCVPWSHHFKDQO-JSGCOSHPSA-N 0 3 351.432 1.797 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000371685787 677757349 /nfs/dbraw/zinc/75/73/49/677757349.db2.gz ORSRJFLCSWVTJA-HZMBPMFUSA-N 0 3 366.805 1.739 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnccc1N ZINC000422938123 680766761 /nfs/dbraw/zinc/76/67/61/680766761.db2.gz PKAVYJDZVCYADM-LLVKDONJSA-N 0 3 365.415 1.031 20 5 FDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)NC(C)C ZINC000428557527 681006654 /nfs/dbraw/zinc/00/66/54/681006654.db2.gz DDLRSTCNFNWLON-LCYFTJDESA-N 0 3 356.448 1.420 20 5 FDBDHN CC[C@]1(CO)CCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475134368 685563245 /nfs/dbraw/zinc/56/32/45/685563245.db2.gz KVWQWDJGBGACSF-QGZVFWFLSA-N 0 3 352.387 1.884 20 5 FDBDHN O=C1CC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CCN1 ZINC000449704920 682702621 /nfs/dbraw/zinc/70/26/21/682702621.db2.gz WSVZDUWNWKAFIM-AWEZNQCLSA-N 0 3 350.394 1.520 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)C[C@H]1C ZINC000452134844 683036330 /nfs/dbraw/zinc/03/63/30/683036330.db2.gz VIIMJBAOTKUESB-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCCN1CCO ZINC000452798736 683120872 /nfs/dbraw/zinc/12/08/72/683120872.db2.gz PAWAONNTNWGKJJ-CQSZACIVSA-N 0 3 355.822 1.754 20 5 FDBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000458624394 684294545 /nfs/dbraw/zinc/29/45/45/684294545.db2.gz RTUSDXQLCUVRFV-KBPBESRZSA-N 0 3 350.419 1.802 20 5 FDBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000459557166 684425200 /nfs/dbraw/zinc/42/52/00/684425200.db2.gz GZAWATPJSVTGQJ-KRWDZBQOSA-N 0 3 351.403 1.810 20 5 FDBDHN COc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000500462111 688085542 /nfs/dbraw/zinc/08/55/42/688085542.db2.gz PUUBGTWVORFYRR-PWSUYJOCSA-N 0 3 373.431 1.117 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000532992845 694899034 /nfs/dbraw/zinc/89/90/34/694899034.db2.gz IUAGSOVHYZIBQK-GXTWGEPZSA-N 0 3 366.443 1.627 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164683423 719705907 /nfs/dbraw/zinc/70/59/07/719705907.db2.gz KDQISSIHFFXBOM-UHFFFAOYSA-N 0 3 351.382 1.310 20 5 FDBDHN CC1(C)CCc2onc(CN[C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)c2C1 ZINC001022064036 777695369 /nfs/dbraw/zinc/69/53/69/777695369.db2.gz RUIIJWOOWLKQOX-NWJSVONSSA-N 0 3 362.430 1.592 20 5 FDBDHN CN1CCN(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000933999318 780570221 /nfs/dbraw/zinc/57/02/21/780570221.db2.gz YXCFLTQRMNHNKF-UHFFFAOYSA-N 0 3 360.418 1.324 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277434313 781886763 /nfs/dbraw/zinc/88/67/63/781886763.db2.gz DXEUPQZTRLPNKX-KRWDZBQOSA-N 0 3 374.441 1.848 20 5 FDBDHN CCCN1CCN(C2CCN(c3c([N+](=O)[O-])c(CC)nn3C)CC2)CC1 ZINC000364905125 785224934 /nfs/dbraw/zinc/22/49/34/785224934.db2.gz MCBVZOWBWWDDMK-UHFFFAOYSA-N 0 3 364.494 1.887 20 5 FDBDHN C[C@H](CO)N1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000364894607 785229754 /nfs/dbraw/zinc/22/97/54/785229754.db2.gz KUOWMGCHROIEQN-RHSMWYFYSA-N 0 3 362.430 1.089 20 5 FDBDHN C[C@H](CO)N1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000364894606 785230122 /nfs/dbraw/zinc/23/01/22/785230122.db2.gz KUOWMGCHROIEQN-PBHICJAKSA-N 0 3 362.430 1.089 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411989418 785507289 /nfs/dbraw/zinc/50/72/89/785507289.db2.gz WYBYQTDXBZZJGH-GFCCVEGCSA-N 0 3 369.393 1.512 20 5 FDBDHN C[C@]1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CN2CCC1CC2 ZINC000892775544 791178434 /nfs/dbraw/zinc/17/84/34/791178434.db2.gz BRNKMVQKMGPVLR-AEFFLSMTSA-N 0 3 358.398 1.688 20 5 FDBDHN C[C@@]1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CN2CCC1CC2 ZINC000892775546 791178516 /nfs/dbraw/zinc/17/85/16/791178516.db2.gz BRNKMVQKMGPVLR-SJLPKXTDSA-N 0 3 358.398 1.688 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415135372 791465558 /nfs/dbraw/zinc/46/55/58/791465558.db2.gz WQALSSFUSYAYDE-INIZCTEOSA-N 0 3 360.418 1.881 20 5 FDBDHN COc1ccc(Cl)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775554 792010265 /nfs/dbraw/zinc/01/02/65/792010265.db2.gz FKXRNEUVZYIHEE-QUEVPRLRSA-N 0 3 365.817 1.560 20 5 FDBDHN C[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000893048603 792655846 /nfs/dbraw/zinc/65/58/46/792655846.db2.gz SDLCEZMDTXKIKJ-TZMCWYRMSA-N 0 3 360.418 1.593 20 5 FDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000377749476 792716760 /nfs/dbraw/zinc/71/67/60/792716760.db2.gz ZROMJIWRXIQZKQ-LAQIPUCWSA-N 0 3 374.441 1.131 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418785559 809206397 /nfs/dbraw/zinc/20/63/97/809206397.db2.gz RCLHMRQDGATSRN-WDMOLILDSA-N 0 3 364.402 1.001 20 5 FDBDHN CC(C)N1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000894167236 810691478 /nfs/dbraw/zinc/69/14/78/810691478.db2.gz MUZUZRKXLXJMJP-UHFFFAOYSA-N 0 3 372.429 1.791 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280665273 811892606 /nfs/dbraw/zinc/89/26/06/811892606.db2.gz XMVFAOQDGZOAMH-AWEZNQCLSA-N 0 3 364.446 1.282 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419938621 812306778 /nfs/dbraw/zinc/30/67/78/812306778.db2.gz XJUBTSNTSHEPCQ-KRWDZBQOSA-N 0 3 370.409 1.412 20 5 FDBDHN O=C(CN1CC[C@H]2OCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366785135 813956804 /nfs/dbraw/zinc/95/68/04/813956804.db2.gz MLCNPFLMEGGEAL-MAUKXSAKSA-N 0 3 374.441 1.354 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000502835939 814287086 /nfs/dbraw/zinc/28/70/86/814287086.db2.gz KBZBHLONMMQLSW-UHTWSYAYSA-N 0 3 364.402 1.435 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517092089 817214871 /nfs/dbraw/zinc/21/48/71/817214871.db2.gz ATGBYHLWUNSVDN-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4OCCN[C@H]4C3)o2)c1 ZINC000517576706 817491579 /nfs/dbraw/zinc/49/15/79/817491579.db2.gz SMIDUNIVAFTKHA-JKSUJKDBSA-N 0 3 358.398 1.855 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4OCCN[C@@H]4C3)o2)c1 ZINC000517576703 817491743 /nfs/dbraw/zinc/49/17/43/817491743.db2.gz SMIDUNIVAFTKHA-HZPDHXFCSA-N 0 3 358.398 1.855 20 5 FDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000427930677 820843117 /nfs/dbraw/zinc/84/31/17/820843117.db2.gz SELZMICPDUQHJF-LBPRGKRZSA-N 0 3 365.434 1.767 20 5 FDBDHN Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000896219487 824209979 /nfs/dbraw/zinc/20/99/79/824209979.db2.gz FGSNVWMGUNGBGI-HZPDHXFCSA-N 0 3 362.430 1.644 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000281056804 825866449 /nfs/dbraw/zinc/86/64/49/825866449.db2.gz YCJHDEDZWPLLIJ-ZDUSSCGKSA-N 0 3 374.445 1.929 20 5 FDBDHN CN1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000281694091 826170354 /nfs/dbraw/zinc/17/03/54/826170354.db2.gz GGYJQBSYIWWLLU-UHFFFAOYSA-N 0 3 373.457 1.692 20 5 FDBDHN CC(C)(C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)n1cc([N+](=O)[O-])cn1 ZINC000428525409 831882601 /nfs/dbraw/zinc/88/26/01/831882601.db2.gz NRHGUEXHIYRGJK-INIZCTEOSA-N 0 3 373.413 1.732 20 5 FDBDHN CN(C)CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C1CC1 ZINC000898019538 840701583 /nfs/dbraw/zinc/70/15/83/840701583.db2.gz NWGJOGLEWNVUIC-UHFFFAOYSA-N 0 3 358.402 1.401 20 5 FDBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccnc1 ZINC000484109619 850418284 /nfs/dbraw/zinc/41/82/84/850418284.db2.gz XKYZISMEPXLLNE-AWEZNQCLSA-N 0 3 356.386 1.900 20 5 FDBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000486247090 854080387 /nfs/dbraw/zinc/08/03/87/854080387.db2.gz YFMDOZGJRHPDDB-GFCCVEGCSA-N 0 3 370.400 1.415 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907555642 854356491 /nfs/dbraw/zinc/35/64/91/854356491.db2.gz WUWUQUIBFZMVFF-ZBFHGGJFSA-N 0 3 353.444 1.351 20 5 FDBDHN COc1cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000490004151 860233304 /nfs/dbraw/zinc/23/33/04/860233304.db2.gz LYKYRQMEGZVZNB-INIZCTEOSA-N 0 3 362.430 1.342 20 5 FDBDHN COc1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc([N+](=O)[O-])c1C ZINC000574082594 863680574 /nfs/dbraw/zinc/68/05/74/863680574.db2.gz VCHZISYIKYZDOE-CQSZACIVSA-N 0 3 374.401 1.439 20 5 FDBDHN COc1cc(CCNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000763025984 877605340 /nfs/dbraw/zinc/60/53/40/877605340.db2.gz SJHUWIWXVUCPQC-UHFFFAOYSA-N 0 3 351.403 1.755 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@@H]2C1 ZINC000272699161 879671655 /nfs/dbraw/zinc/67/16/55/879671655.db2.gz YGYPPZZRIIBNKI-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2C[C@]3(C)CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000918353007 884355307 /nfs/dbraw/zinc/35/53/07/884355307.db2.gz ZHEHDAQTQZCGOH-HOTGVXAUSA-N 0 3 353.444 1.866 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730218523 916324647 /nfs/dbraw/zinc/32/46/47/916324647.db2.gz LRLFZFIWVWPIIX-AFCDSYGPSA-N 0 3 372.425 1.549 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H]1CCCN(C)C1 ZINC000731635965 918296697 /nfs/dbraw/zinc/29/66/97/918296697.db2.gz RLIBUHOHAYFLPV-GFCCVEGCSA-N 0 3 351.359 1.005 20 5 FDBDHN CC(C)(C)c1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086364115 926847804 /nfs/dbraw/zinc/84/78/04/926847804.db2.gz UJVDMKCKFCIPGF-FDYHWXHSSA-N 0 3 350.419 1.622 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000788642463 932770498 /nfs/dbraw/zinc/77/04/98/932770498.db2.gz MRRHGHIZHLDZCP-NSHDSACASA-N 0 3 366.399 1.325 20 5 FDBDHN CC1(C)[C@H](O)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000812866189 941288712 /nfs/dbraw/zinc/28/87/12/941288712.db2.gz YLXBNABRIIIPOY-MRXNPFEDSA-N 0 3 362.430 1.089 20 5 FDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[N+](=O)[O-] ZINC000813100130 941325431 /nfs/dbraw/zinc/32/54/31/941325431.db2.gz NLAPZMUFJOAJGK-ZDUSSCGKSA-N 0 3 370.427 1.929 20 5 FDBDHN CSCC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000813104067 941326633 /nfs/dbraw/zinc/32/66/33/941326633.db2.gz JJUMVDXOFGYPIF-ZDEQEGDKSA-N 0 3 372.443 1.492 20 5 FDBDHN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105214 941333666 /nfs/dbraw/zinc/33/36/66/941333666.db2.gz KNAQKEGZASOVFC-VHSXEESVSA-N 0 3 356.762 1.910 20 5 FDBDHN CC(COC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107975 941333911 /nfs/dbraw/zinc/33/39/11/941333911.db2.gz SKAQCOWKSBVYOG-RYUDHWBXSA-N 0 3 373.406 1.101 20 5 FDBDHN CC(COC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813108316 941334185 /nfs/dbraw/zinc/33/41/85/941334185.db2.gz DDAKGHBMJHLUFZ-NSHDSACASA-N 0 3 362.379 1.435 20 5 FDBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)[N+](=O)[O-] ZINC000813108534 941334396 /nfs/dbraw/zinc/33/43/96/941334396.db2.gz GZPBMAJGIKMMLN-NEPJUHHUSA-N 0 3 373.431 1.268 20 5 FDBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[N+](=O)[O-] ZINC000813111061 941334748 /nfs/dbraw/zinc/33/47/48/941334748.db2.gz BOJFXZFTZRZOEP-SSDOTTSWSA-N 0 3 366.189 1.675 20 5 FDBDHN CC(COC(=O)c1cn(-c2ccccc2Br)nn1)[N+](=O)[O-] ZINC000813111064 941334812 /nfs/dbraw/zinc/33/48/12/941334812.db2.gz BRRRUEUKTAMVSQ-MRVPVSSYSA-N 0 3 355.148 1.852 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110785 941334858 /nfs/dbraw/zinc/33/48/58/941334858.db2.gz JHKYEWRCRXBWDV-NSHDSACASA-N 0 3 358.416 1.894 20 5 FDBDHN COc1cccc([C@@H]2[C@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C2CC2)c1 ZINC000813115292 941336930 /nfs/dbraw/zinc/33/69/30/941336930.db2.gz ONZOYZWCPUORLV-RGYTYGDFSA-N 0 3 362.382 1.956 20 5 FDBDHN C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625417 941921636 /nfs/dbraw/zinc/92/16/36/941921636.db2.gz CSMVKCJNJYSYTQ-WCQYABFASA-N 0 3 356.448 1.642 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccnc2N2CCOCC2)c1 ZINC000818949440 943359448 /nfs/dbraw/zinc/35/94/48/943359448.db2.gz MRCSZLOXHDPMHB-QGZVFWFLSA-N 0 3 358.398 1.650 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CCN(C)CC1 ZINC000824159093 946254533 /nfs/dbraw/zinc/25/45/33/946254533.db2.gz ZLQUWFXXJPLELN-UHFFFAOYSA-N 0 3 353.444 1.845 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000844036001 947635931 /nfs/dbraw/zinc/63/59/31/947635931.db2.gz PMNVFASOCPRFBG-NSHDSACASA-N 0 3 370.356 1.265 20 5 FDBDHN CC([C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876066 950047041 /nfs/dbraw/zinc/04/70/41/950047041.db2.gz PJONSNCPPPOJJI-OTYXRUKQSA-N 0 3 352.278 1.880 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001603121059 972206193 /nfs/dbraw/zinc/20/61/93/972206193.db2.gz QGUQIILLPQWVLA-GFCCVEGCSA-N 0 3 364.402 1.451 20 5 FDBDHN CN(C)C(=O)C1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173017529 961888931 /nfs/dbraw/zinc/88/89/31/961888931.db2.gz FIRKNCZXGAHWGV-UHFFFAOYSA-N 0 3 368.384 1.862 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NCc2cnco2)CC1 ZINC001173691965 962583700 /nfs/dbraw/zinc/58/37/00/962583700.db2.gz WYAJQLJSXNSRJO-UHFFFAOYSA-N 0 3 366.399 1.526 20 5 FDBDHN CNC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175363019 963167155 /nfs/dbraw/zinc/16/71/55/963167155.db2.gz ZWXKFBAGYUCVRL-CYBMUJFWSA-N 0 3 363.418 1.707 20 5 FDBDHN Cc1c(NC(=O)CCN2CCNC(=O)CC23CCC3)cccc1[N+](=O)[O-] ZINC001175946416 963340547 /nfs/dbraw/zinc/34/05/47/963340547.db2.gz KMMVVZKDHROYQX-UHFFFAOYSA-N 0 3 360.414 1.976 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCNCc1csnn1)CC1CCCC1 ZINC001177313558 963755841 /nfs/dbraw/zinc/75/58/41/963755841.db2.gz CPEWCQJKHXJQTE-HUUCEWRRSA-N 0 3 367.475 1.702 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468603 963950414 /nfs/dbraw/zinc/95/04/14/963950414.db2.gz ZHDCSGGRJDZFQA-QWHCGFSZSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468603 963950417 /nfs/dbraw/zinc/95/04/17/963950417.db2.gz ZHDCSGGRJDZFQA-QWHCGFSZSA-N 0 3 357.407 1.947 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008881 964625177 /nfs/dbraw/zinc/62/51/77/964625177.db2.gz UGQXLTGNATVXOA-LLVKDONJSA-N 0 3 351.428 1.910 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852297330 967195916 /nfs/dbraw/zinc/19/59/16/967195916.db2.gz GZMQTPXSRAYIQY-UHFFFAOYSA-N 0 3 372.381 1.763 20 5 FDBDHN CN(C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCO1 ZINC000853989953 968504096 /nfs/dbraw/zinc/50/40/96/968504096.db2.gz HQKVUEIDUDAAJH-CQSZACIVSA-N 0 3 371.459 1.545 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855694919 970618786 /nfs/dbraw/zinc/61/87/86/970618786.db2.gz DGIJAEKTAMLMAD-WYMLVPIESA-N 0 3 362.430 1.477 20 5 FDBDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001198218181 972895179 /nfs/dbraw/zinc/89/51/79/972895179.db2.gz DIXSKFIQZYKONH-LJQANCHMSA-N 0 3 373.409 1.786 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582693 976913289 /nfs/dbraw/zinc/91/32/89/976913289.db2.gz PGRDFZZBIJFYBW-TZMCWYRMSA-N 0 3 371.340 1.546 20 5 FDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811186 976913617 /nfs/dbraw/zinc/91/36/17/976913617.db2.gz ALWZZVHTZGZMRN-CMPLNLGQSA-N 0 3 359.835 1.963 20 5 FDBDHN CN1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000868056107 977243991 /nfs/dbraw/zinc/24/39/91/977243991.db2.gz PUILJXBUGZHYFW-UHFFFAOYSA-N 0 3 352.410 1.419 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000849552542 977735666 /nfs/dbraw/zinc/73/56/66/977735666.db2.gz FWOIDPQJYWRBCM-DLBZAZTESA-N 0 3 371.441 1.723 20 5 FDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000850593507 978454358 /nfs/dbraw/zinc/45/43/58/978454358.db2.gz UOCROZDNVJOLER-ZETCQYMHSA-N 0 3 352.210 1.244 20 5 FDBDHN CCN(C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)[C@@H]1CCN(CC)C1 ZINC000850607089 978475819 /nfs/dbraw/zinc/47/58/19/978475819.db2.gz PZSIDGNFTGUEKY-GFCCVEGCSA-N 0 3 366.393 1.924 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1=O ZINC000862121514 984140576 /nfs/dbraw/zinc/14/05/76/984140576.db2.gz JEXMPQKKGSYLAV-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000869784965 985344571 /nfs/dbraw/zinc/34/45/71/985344571.db2.gz WUGVXRAWXRAVRN-NSHDSACASA-N 0 3 353.444 1.892 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000885859714 985707516 /nfs/dbraw/zinc/70/75/16/985707516.db2.gz ABPDXPPXRFUJJZ-HNNXBMFYSA-N 0 3 362.430 1.766 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885881797 985746301 /nfs/dbraw/zinc/74/63/01/985746301.db2.gz AJLWUIKQDZKIRD-HNNXBMFYSA-N 0 3 363.414 1.652 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000885890948 985761764 /nfs/dbraw/zinc/76/17/64/985761764.db2.gz MOOPWUAURCZXFG-HNNXBMFYSA-N 0 3 351.378 1.646 20 5 FDBDHN COc1cnccc1N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000796575324 1015291574 /nfs/dbraw/zinc/29/15/74/1015291574.db2.gz LZLZEPOVFSLEDJ-KRWDZBQOSA-N 0 3 358.398 1.854 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000365938767 988247480 /nfs/dbraw/zinc/24/74/80/988247480.db2.gz YABNWDSQJWYOSO-CHWSQXEVSA-N 0 3 362.434 1.763 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)[C@H]2C1 ZINC000293961577 988270762 /nfs/dbraw/zinc/27/07/62/988270762.db2.gz TUVCGIZKLWLLQK-DLBZAZTESA-N 0 3 363.414 1.604 20 5 FDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(CCN2CCCOCC2)CC1 ZINC000364365623 989549855 /nfs/dbraw/zinc/54/98/55/989549855.db2.gz XBFWUQXOWSEQPY-UHFFFAOYSA-N 0 3 362.430 1.075 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000370724632 989951663 /nfs/dbraw/zinc/95/16/63/989951663.db2.gz LRMGLWMMIKMTBY-UHFFFAOYSA-N 0 3 363.370 1.887 20 5 FDBDHN C[C@H](N[C@@H]1CCCN(c2ccncn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000370901278 990107729 /nfs/dbraw/zinc/10/77/29/990107729.db2.gz XAYFDNVJADZYHV-DZGCQCFKSA-N 0 3 370.413 1.970 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@]1(CO)CCc2ccccc21 ZINC000371746323 990682395 /nfs/dbraw/zinc/68/23/95/990682395.db2.gz IIPCEDQZWHVPQH-HNAYVOBHSA-N 0 3 358.394 1.758 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000411669247 992553418 /nfs/dbraw/zinc/55/34/18/992553418.db2.gz JDVCPYKJFYHYJP-TZMCWYRMSA-N 0 3 362.386 1.142 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000876475347 992646810 /nfs/dbraw/zinc/64/68/10/992646810.db2.gz JZLRCVNPAKHGHS-KRWDZBQOSA-N 0 3 369.393 1.462 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878316383 993904162 /nfs/dbraw/zinc/90/41/62/993904162.db2.gz GJWKJPUGYNEMBG-UHFFFAOYSA-N 0 3 374.445 1.714 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000878431544 993955410 /nfs/dbraw/zinc/95/54/10/993955410.db2.gz NTDZHWOMSSIJPX-CQSZACIVSA-N 0 3 370.413 1.633 20 5 FDBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H](O)CO)cc1 ZINC000470360419 993991595 /nfs/dbraw/zinc/99/15/95/993991595.db2.gz BGSDGJVNKYWYES-SFHVURJKSA-N 0 3 368.393 1.890 20 5 FDBDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878640166 994083417 /nfs/dbraw/zinc/08/34/17/994083417.db2.gz AFRWIJOAWUJGHQ-SFHVURJKSA-N 0 3 358.398 1.916 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889768391 998627720 /nfs/dbraw/zinc/62/77/20/998627720.db2.gz NCBFRBJJABWMMB-CVEARBPZSA-N 0 3 367.833 1.848 20 5 FDBDHN CCN(Cc1ccc(OC)cc1OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266565650 999189288 /nfs/dbraw/zinc/18/92/88/999189288.db2.gz ZIJONIVGZOJDRK-OAHLLOKOSA-N 0 3 364.402 1.692 20 5 FDBDHN COc1ccc(OCCN2C[C@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286012798 999931290 /nfs/dbraw/zinc/93/12/90/999931290.db2.gz PMVOVOQSBHJCJF-LSDHHAIUSA-N 0 3 365.430 1.777 20 5 FDBDHN O=C1NC[C@H](O)CC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000932833925 1005205515 /nfs/dbraw/zinc/20/55/15/1005205515.db2.gz FSZJJMCJVLVQNM-GFCCVEGCSA-N 0 3 353.806 1.711 20 5 FDBDHN CN1CCN(CCCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778234127 1005720186 /nfs/dbraw/zinc/72/01/86/1005720186.db2.gz MASNGHXDHFTOGR-UHFFFAOYSA-N 0 3 370.400 1.830 20 5 FDBDHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193047615 178144669 /nfs/dbraw/zinc/14/46/69/178144669.db2.gz BZEMSYQTOVPJOW-GDBMZVCRSA-N 0 3 353.444 1.986 20 5 FDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000194733839 178223365 /nfs/dbraw/zinc/22/33/65/178223365.db2.gz QZWLGXTXICJTTL-SECBINFHSA-N 0 3 364.221 1.373 20 5 FDBDHN C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1=CCN(C)CC1 ZINC000512125849 538969688 /nfs/dbraw/zinc/96/96/88/538969688.db2.gz WUYDOKHZPXEFQM-GFCCVEGCSA-N 0 3 374.397 1.087 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000517008748 539338548 /nfs/dbraw/zinc/33/85/48/539338548.db2.gz QAFQZUTWNUPENA-BXUZGUMPSA-N 0 3 352.778 1.919 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000264474511 179117189 /nfs/dbraw/zinc/11/71/89/179117189.db2.gz KAZFPWVNTOJEKB-LLVKDONJSA-N 0 3 368.821 1.531 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000264566924 179137740 /nfs/dbraw/zinc/13/77/40/179137740.db2.gz ROJKVIDHBPPOEX-OAHLLOKOSA-N 0 3 350.419 1.624 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264640739 179156088 /nfs/dbraw/zinc/15/60/88/179156088.db2.gz VPRQSDHLBMNWQD-WMLDXEAASA-N 0 3 374.441 1.800 20 5 FDBDHN O=C1C[C@@H](N2CC[C@@H](N3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000264633730 179154127 /nfs/dbraw/zinc/15/41/27/179154127.db2.gz UPASXOFCMLFVNG-IAGOWNOFSA-N 0 3 372.425 1.787 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524715523 539658574 /nfs/dbraw/zinc/65/85/74/539658574.db2.gz CXRDZPZHGAJVDH-SFHVURJKSA-N 0 3 358.398 1.300 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000268974239 180190535 /nfs/dbraw/zinc/19/05/35/180190535.db2.gz OFTXOTYZCKOERS-VNQPRFMTSA-N 0 3 354.428 1.541 20 5 FDBDHN CC(C)(C(=O)NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273939703 181000511 /nfs/dbraw/zinc/00/05/11/181000511.db2.gz JVOGEUMYYVFROK-UHFFFAOYSA-N 0 3 367.421 1.975 20 5 FDBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000273995285 181008788 /nfs/dbraw/zinc/00/87/88/181008788.db2.gz KCPVKCLAKVPPDP-QWRGUYRKSA-N 0 3 353.375 1.719 20 5 FDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000274931805 181198326 /nfs/dbraw/zinc/19/83/26/181198326.db2.gz OHSBDEBMCWYICF-HNNXBMFYSA-N 0 3 357.414 1.969 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]c(=O)cc2C1 ZINC000274958423 181206152 /nfs/dbraw/zinc/20/61/52/181206152.db2.gz IIMCYANFXJGHFW-UHFFFAOYSA-N 0 3 373.369 1.074 20 5 FDBDHN CC(C)(O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000533345364 540236285 /nfs/dbraw/zinc/23/62/85/540236285.db2.gz BIGZZBCXLQNRCP-UHFFFAOYSA-N 0 3 351.403 1.785 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535701677 540495056 /nfs/dbraw/zinc/49/50/56/540495056.db2.gz PCYCHCNWDJMPRX-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000536434776 540594063 /nfs/dbraw/zinc/59/40/63/540594063.db2.gz VQLNBPSDCWNWRT-HOCLYGCPSA-N 0 3 358.398 1.536 20 5 FDBDHN CN1CC=C(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000540544890 541073219 /nfs/dbraw/zinc/07/32/19/541073219.db2.gz OKUDOHUOEYDEPE-CYBMUJFWSA-N 0 3 362.386 1.171 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542506883 541417660 /nfs/dbraw/zinc/41/76/60/541417660.db2.gz NOUORGVXRQNUKY-HNNXBMFYSA-N 0 3 370.413 1.281 20 5 FDBDHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000543689589 541636217 /nfs/dbraw/zinc/63/62/17/541636217.db2.gz WVQIDLZLJCAKKJ-UHFFFAOYSA-N 0 3 363.411 1.371 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282422948 182008530 /nfs/dbraw/zinc/00/85/30/182008530.db2.gz IRHIZEXULHRFDS-NSHDSACASA-N 0 3 352.366 1.581 20 5 FDBDHN CN(C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000282815773 182059971 /nfs/dbraw/zinc/05/99/71/182059971.db2.gz IKIFKPURVDSYGF-CYBMUJFWSA-N 0 3 351.794 1.864 20 5 FDBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283279966 182147288 /nfs/dbraw/zinc/14/72/88/182147288.db2.gz XEFBYBOQNRLJNQ-MNOVXSKESA-N 0 3 353.375 1.719 20 5 FDBDHN COc1ccc(CC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000546019608 542075885 /nfs/dbraw/zinc/07/58/85/542075885.db2.gz HQXPUQOZHNQWPV-CQSZACIVSA-N 0 3 364.446 1.288 20 5 FDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000286304681 183035530 /nfs/dbraw/zinc/03/55/30/183035530.db2.gz IHGRAJVDPDTHQQ-KBPBESRZSA-N 0 3 373.413 1.796 20 5 FDBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546570654 542167446 /nfs/dbraw/zinc/16/74/46/542167446.db2.gz CZSGMEQAVKQASN-MRXNPFEDSA-N 0 3 369.443 1.130 20 5 FDBDHN CON(C)C(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000291648327 183804224 /nfs/dbraw/zinc/80/42/24/183804224.db2.gz FDCGPWUTYOCPNY-UHFFFAOYSA-N 0 3 364.402 1.655 20 5 FDBDHN CC1(C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCO[C@@H]21 ZINC000296260160 184145812 /nfs/dbraw/zinc/14/58/12/184145812.db2.gz OBKAWJBJCINHTB-OBPXBXINSA-N 0 3 363.370 1.665 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000296854901 184207677 /nfs/dbraw/zinc/20/76/77/184207677.db2.gz YKHPQERGTKROHJ-ZDUSSCGKSA-N 0 3 362.430 1.958 20 5 FDBDHN COC(=O)Cc1ccc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296862454 184207976 /nfs/dbraw/zinc/20/79/76/184207976.db2.gz VHLJCCVQJIYZMB-UHFFFAOYSA-N 0 3 364.446 1.748 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](OCCO)C1 ZINC000547749239 542436168 /nfs/dbraw/zinc/43/61/68/542436168.db2.gz COJLFLIIONTTKQ-AWEZNQCLSA-N 0 3 365.386 1.366 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1COc2ccccc2O1 ZINC000551812416 543344754 /nfs/dbraw/zinc/34/47/54/543344754.db2.gz CYQQGOOVNLUNKL-KBPBESRZSA-N 0 3 360.366 1.764 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000552099982 543418040 /nfs/dbraw/zinc/41/80/40/543418040.db2.gz ZIYOOBDNTLKILK-VXGBXAGGSA-N 0 3 369.443 1.867 20 5 FDBDHN CCCCN(C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552562931 543485363 /nfs/dbraw/zinc/48/53/63/543485363.db2.gz JOZIHYOUXWRJOR-UHFFFAOYSA-N 0 3 362.430 1.328 20 5 FDBDHN NC(=O)c1cccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553143598 543576087 /nfs/dbraw/zinc/57/60/87/543576087.db2.gz PSBRMGOZAIIIDJ-LSDHHAIUSA-N 0 3 370.409 1.741 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000074137558 172073962 /nfs/dbraw/zinc/07/39/62/172073962.db2.gz MOLVJZFEPBJYNF-UHFFFAOYSA-N 0 3 374.445 1.619 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000078496950 172148752 /nfs/dbraw/zinc/14/87/52/172148752.db2.gz IYDVZJYGLPKQKX-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000081997492 172199441 /nfs/dbraw/zinc/19/94/41/172199441.db2.gz CZALZVXNEHYWPY-UHFFFAOYSA-N 0 3 365.430 1.979 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000085456755 172218673 /nfs/dbraw/zinc/21/86/73/172218673.db2.gz HGSXMFWYWKURMP-OKILXGFUSA-N 0 3 353.423 1.187 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000103448904 172365231 /nfs/dbraw/zinc/36/52/31/172365231.db2.gz BGYMASNERJJWDL-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000103448659 172365832 /nfs/dbraw/zinc/36/58/32/172365832.db2.gz FBUODKDAPJGLRN-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126077298 173027873 /nfs/dbraw/zinc/02/78/73/173027873.db2.gz RCXMFGWHDWOUFU-BZNIZROVSA-N 0 3 358.398 1.849 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000127934209 173095114 /nfs/dbraw/zinc/09/51/14/173095114.db2.gz UQPYZGAYYAWABN-QGZVFWFLSA-N 0 3 352.435 1.529 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000128568134 173113249 /nfs/dbraw/zinc/11/32/49/173113249.db2.gz YRJFAIZLEDAACS-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN O=C(NCCCN1CCc2ccccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000133145275 173255600 /nfs/dbraw/zinc/25/56/00/173255600.db2.gz VCUFFUALVUVGHF-UHFFFAOYSA-N 0 3 372.429 1.539 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000133492509 173265456 /nfs/dbraw/zinc/26/54/56/173265456.db2.gz HINOKSNEOFYWAM-KGLIPLIRSA-N 0 3 360.414 1.927 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000133689999 173272441 /nfs/dbraw/zinc/27/24/41/173272441.db2.gz FVBQVPZGAMVIDW-MRXNPFEDSA-N 0 3 372.429 1.755 20 5 FDBDHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000135918870 173354996 /nfs/dbraw/zinc/35/49/96/173354996.db2.gz SVMPWNRHIQNTIK-LBPRGKRZSA-N 0 3 368.459 1.671 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000176127014 174053367 /nfs/dbraw/zinc/05/33/67/174053367.db2.gz UVYPOHRQYRYNOL-GDBMZVCRSA-N 0 3 357.414 1.961 20 5 FDBDHN CN(CCn1ccc([N+](=O)[O-])n1)CCN1CCN(c2ccccc2)CC1 ZINC000176251421 174061831 /nfs/dbraw/zinc/06/18/31/174061831.db2.gz ZUULUUIKSDFYSJ-UHFFFAOYSA-N 0 3 358.446 1.545 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176721057 174085066 /nfs/dbraw/zinc/08/50/66/174085066.db2.gz DWNDGKZGTCVDDI-GDBMZVCRSA-N 0 3 357.414 1.961 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177108601 174106228 /nfs/dbraw/zinc/10/62/28/174106228.db2.gz KONLAXVMIYPOQT-OUCADQQQSA-N 0 3 360.414 1.455 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000179517313 258352621 /nfs/dbraw/zinc/35/26/21/258352621.db2.gz UCLVVGQAZCKKEI-UHFFFAOYSA-N 0 3 367.471 1.931 20 5 FDBDHN COc1cc(C)c([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000179636360 258354812 /nfs/dbraw/zinc/35/48/12/258354812.db2.gz QYTBSELUXUSNBD-TZMCWYRMSA-N 0 3 364.402 1.829 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174021952 258317326 /nfs/dbraw/zinc/31/73/26/258317326.db2.gz MFJWKQVHAMHZAX-IAGOWNOFSA-N 0 3 365.430 1.131 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178722930 258333609 /nfs/dbraw/zinc/33/36/09/258333609.db2.gz UKGXVDBGCXZIBF-ZDUSSCGKSA-N 0 3 360.208 1.400 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000178921732 258339538 /nfs/dbraw/zinc/33/95/38/258339538.db2.gz USQWTGNCFSJSKL-VIFPVBQESA-N 0 3 364.221 1.388 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000178919455 258339750 /nfs/dbraw/zinc/33/97/50/258339750.db2.gz RZYYDEGNVQWLOK-QMMMGPOBSA-N 0 3 353.322 1.644 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000181920658 258378301 /nfs/dbraw/zinc/37/83/01/258378301.db2.gz FRQOMLLNQJKBNL-HZPDHXFCSA-N 0 3 365.430 1.131 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183607651 258379849 /nfs/dbraw/zinc/37/98/49/258379849.db2.gz KLDIYBTZVLSBCJ-ZDUSSCGKSA-N 0 3 350.423 1.385 20 5 FDBDHN Nc1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000183783886 258380411 /nfs/dbraw/zinc/38/04/11/258380411.db2.gz GOROXKCODDYAAO-MRXNPFEDSA-N 0 3 370.409 1.674 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000186257226 258385429 /nfs/dbraw/zinc/38/54/29/258385429.db2.gz KNYPGYVRMOEIIW-HNNXBMFYSA-N 0 3 361.402 1.338 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(S(C)(=O)=O)CC1 ZINC000279605700 258568060 /nfs/dbraw/zinc/56/80/60/258568060.db2.gz DZLFCOWMFRFSQF-NSHDSACASA-N 0 3 355.416 1.479 20 5 FDBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)CN(C)C ZINC000553792586 543697759 /nfs/dbraw/zinc/69/77/59/543697759.db2.gz PKBFLUBTLYVRBG-WDEREUQCSA-N 0 3 372.447 1.106 20 5 FDBDHN COCCN(C)CC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000554860907 543882764 /nfs/dbraw/zinc/88/27/64/543882764.db2.gz SBXTYEPVXJUXCG-HNNXBMFYSA-N 0 3 361.402 1.757 20 5 FDBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1(C)C ZINC000281705916 258675234 /nfs/dbraw/zinc/67/52/34/258675234.db2.gz HIFXARCBWRAEHW-UHFFFAOYSA-N 0 3 371.441 1.899 20 5 FDBDHN O=C(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NCCN1CCCCCC1 ZINC000558360998 544415038 /nfs/dbraw/zinc/41/50/38/544415038.db2.gz NJNUJOXCQSGNIG-UHFFFAOYSA-N 0 3 362.430 1.246 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000282068396 258696558 /nfs/dbraw/zinc/69/65/58/258696558.db2.gz HSAVXNAKUZEFAN-LLVKDONJSA-N 0 3 364.377 1.747 20 5 FDBDHN CCC[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000560432409 545005780 /nfs/dbraw/zinc/00/57/80/545005780.db2.gz BKRMJZJFCPUMMR-HNNXBMFYSA-N 0 3 360.418 1.796 20 5 FDBDHN COCCOC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295098248 258930937 /nfs/dbraw/zinc/93/09/37/258930937.db2.gz SYUTTXVQFNCOPP-HNNXBMFYSA-N 0 3 354.403 1.462 20 5 FDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299477837 259000516 /nfs/dbraw/zinc/00/05/16/259000516.db2.gz YIVNWBNYUYPRPF-GDBMZVCRSA-N 0 3 365.430 1.573 20 5 FDBDHN CN(CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000299526643 259003900 /nfs/dbraw/zinc/00/39/00/259003900.db2.gz PUYWBBXXZCFFAT-UHFFFAOYSA-N 0 3 358.398 1.395 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000299729128 259019861 /nfs/dbraw/zinc/01/98/61/259019861.db2.gz WBQYSZTZAJAPMH-HIFRSBDPSA-N 0 3 362.430 1.949 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)CN1CCC(C)CC1 ZINC000301515289 259028929 /nfs/dbraw/zinc/02/89/29/259028929.db2.gz CRLIMRQBGOMMGF-CQSZACIVSA-N 0 3 350.419 1.459 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)nn21 ZINC000301924979 259036491 /nfs/dbraw/zinc/03/64/91/259036491.db2.gz GRCURFUQKZKDKV-GJZGRUSLSA-N 0 3 368.397 1.685 20 5 FDBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000330602887 259153067 /nfs/dbraw/zinc/15/30/67/259153067.db2.gz HNLVXEIDFREIGK-STQMWFEESA-N 0 3 357.432 1.553 20 5 FDBDHN COc1cc(S(=O)(=O)NCC2(N(C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000330955745 259170982 /nfs/dbraw/zinc/17/09/82/259170982.db2.gz MWKLNAYBHCCWON-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000330961805 259171127 /nfs/dbraw/zinc/17/11/27/259171127.db2.gz PEGZTTMFWXJYJI-UBHSHLNASA-N 0 3 366.466 1.768 20 5 FDBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(c2ccncc2)CC1 ZINC000363072873 259526408 /nfs/dbraw/zinc/52/64/08/259526408.db2.gz ZWHKWNQIGFKTPA-UHFFFAOYSA-N 0 3 358.402 1.704 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000367690564 260078501 /nfs/dbraw/zinc/07/85/01/260078501.db2.gz SHLHHKAFRPTKKC-JKSUJKDBSA-N 0 3 365.386 1.849 20 5 FDBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368875558 260253074 /nfs/dbraw/zinc/25/30/74/260253074.db2.gz LVSZFWKHIVCCNK-JFOHDYCDSA-N 0 3 363.414 1.453 20 5 FDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000368975724 260271722 /nfs/dbraw/zinc/27/17/22/260271722.db2.gz XQNYZRUPNZGOAQ-PKWAYOAASA-N 0 3 364.377 1.648 20 5 FDBDHN CCCN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000369156136 260304275 /nfs/dbraw/zinc/30/42/75/260304275.db2.gz GOHXGTNKTVEZAM-UHFFFAOYSA-N 0 3 350.419 1.820 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369310181 260337653 /nfs/dbraw/zinc/33/76/53/260337653.db2.gz MFEWVFICYYDPJB-KRWDZBQOSA-N 0 3 360.458 1.623 20 5 FDBDHN Cc1nc2c(s1)CCC[C@H]2CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369535395 260386211 /nfs/dbraw/zinc/38/62/11/260386211.db2.gz ALDRYRFRJNOCLN-GXTWGEPZSA-N 0 3 365.459 1.969 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000369561841 260391249 /nfs/dbraw/zinc/39/12/49/260391249.db2.gz SVNNJUPIIVAZOM-RYUDHWBXSA-N 0 3 350.375 1.442 20 5 FDBDHN Cc1ccnc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000372698682 260914914 /nfs/dbraw/zinc/91/49/14/260914914.db2.gz AYWFQTREQXQPKH-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN CN1CCC2(CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000374295904 261105645 /nfs/dbraw/zinc/10/56/45/261105645.db2.gz NWRKIOAHUPPFGW-UHFFFAOYSA-N 0 3 353.444 1.985 20 5 FDBDHN Cc1c(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000374324241 261110582 /nfs/dbraw/zinc/11/05/82/261110582.db2.gz AYEITXXFAXYKSU-CRAIPNDOSA-N 0 3 374.485 1.930 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC(C)(C)O)CC2)c1 ZINC000374831021 261205845 /nfs/dbraw/zinc/20/58/45/261205845.db2.gz VUZFVCMHNQNDFS-UHFFFAOYSA-N 0 3 365.430 1.912 20 5 FDBDHN CN1CC[C@@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000374858328 261213620 /nfs/dbraw/zinc/21/36/20/261213620.db2.gz UGWUHWKYDAKXTB-GDBMZVCRSA-N 0 3 353.444 1.493 20 5 FDBDHN C[C@H](CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C1CC1 ZINC000375376417 261326779 /nfs/dbraw/zinc/32/67/79/261326779.db2.gz BPLCSNFCNRVQKT-OCCSQVGLSA-N 0 3 350.423 1.621 20 5 FDBDHN CCCN1CCN(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000376488806 261578096 /nfs/dbraw/zinc/57/80/96/261578096.db2.gz AQOJDVQIVCNZJQ-UHFFFAOYSA-N 0 3 373.461 1.634 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000378457546 262028816 /nfs/dbraw/zinc/02/88/16/262028816.db2.gz WAUPULZVXJORLH-BXUZGUMPSA-N 0 3 362.386 1.095 20 5 FDBDHN CN1CC[C@@H]2CCN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000378456877 262029537 /nfs/dbraw/zinc/02/95/37/262029537.db2.gz UTFGKHXYISSVMF-DAXOMENPSA-N 0 3 358.398 1.253 20 5 FDBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270553679 674227187 /nfs/dbraw/zinc/22/71/87/674227187.db2.gz BWCBRRBWQGWXSA-TUKIKUTGSA-N 0 3 352.460 1.899 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000027744078 519194791 /nfs/dbraw/zinc/19/47/91/519194791.db2.gz QTCLCRDWYVYZSI-UONOGXRCSA-N 0 3 362.430 1.704 20 5 FDBDHN C[C@@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057721005 522144126 /nfs/dbraw/zinc/14/41/26/522144126.db2.gz ILGVQDHAZRKWNF-JTQLQIEISA-N 0 3 366.443 1.385 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c(C)c2)CC1 ZINC000048245188 522699483 /nfs/dbraw/zinc/69/94/83/522699483.db2.gz MQLANLBAXDUUCE-UHFFFAOYSA-N 0 3 373.417 1.275 20 5 FDBDHN COCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717154 522771960 /nfs/dbraw/zinc/77/19/60/522771960.db2.gz KXOOOCNIGVLXKE-LBPRGKRZSA-N 0 3 358.416 1.359 20 5 FDBDHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717166 522773230 /nfs/dbraw/zinc/77/32/30/522773230.db2.gz OZNNQGKPQHCKQE-CYBMUJFWSA-N 0 3 372.443 1.749 20 5 FDBDHN COCCCNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536181 522835067 /nfs/dbraw/zinc/83/50/67/522835067.db2.gz OASNFCJCARPJJW-UHFFFAOYSA-N 0 3 365.430 1.838 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCCCC1 ZINC000076250074 523054641 /nfs/dbraw/zinc/05/46/41/523054641.db2.gz UVFMUTCVDUFQNU-UHFFFAOYSA-N 0 3 362.430 1.707 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268098 523059345 /nfs/dbraw/zinc/05/93/45/523059345.db2.gz JADICZODJCXBPS-UHFFFAOYSA-N 0 3 371.445 1.717 20 5 FDBDHN CNS(=O)(=O)c1ccc(NCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000052160140 523132275 /nfs/dbraw/zinc/13/22/75/523132275.db2.gz WYBUFMPLKMVJPV-UHFFFAOYSA-N 0 3 356.448 1.647 20 5 FDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000076639149 523153773 /nfs/dbraw/zinc/15/37/73/523153773.db2.gz UDKZFJKTRYJRFA-HNNXBMFYSA-N 0 3 360.414 1.914 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCC(C)(C)N(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000052551826 523200419 /nfs/dbraw/zinc/20/04/19/523200419.db2.gz RVALHOZTVMGNCZ-UHFFFAOYSA-N 0 3 373.413 1.519 20 5 FDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067305337 523384903 /nfs/dbraw/zinc/38/49/03/523384903.db2.gz DSQXFTABHWSRMH-ZDUSSCGKSA-N 0 3 370.413 1.922 20 5 FDBDHN O=C(CCN1CCC(N2CCNC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053283881 523389122 /nfs/dbraw/zinc/38/91/22/523389122.db2.gz XIESHXWUQPSVHK-UHFFFAOYSA-N 0 3 361.402 1.413 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067632395 523526149 /nfs/dbraw/zinc/52/61/49/523526149.db2.gz SJQVFIPYYRMYLM-KRWDZBQOSA-N 0 3 364.446 1.529 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000055194365 523762968 /nfs/dbraw/zinc/76/29/68/523762968.db2.gz NMQRCEOOTMBVKO-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000081997066 524206019 /nfs/dbraw/zinc/20/60/19/524206019.db2.gz FCGZJFIBOZZSRU-UHFFFAOYSA-N 0 3 367.450 1.495 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172461024 524225678 /nfs/dbraw/zinc/22/56/78/524225678.db2.gz AEXRXEZFCKMISP-UHFFFAOYSA-N 0 3 365.434 1.061 20 5 FDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000157231679 524236206 /nfs/dbraw/zinc/23/62/06/524236206.db2.gz PIAMUZFHSDHZOP-UHFFFAOYSA-N 0 3 374.397 1.053 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCNC(=O)C(C)C ZINC000157380340 524263106 /nfs/dbraw/zinc/26/31/06/524263106.db2.gz OZXRFZKEWSBEKP-UHFFFAOYSA-N 0 3 350.419 1.936 20 5 FDBDHN CCN1CC[C@@H](N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000122119206 524455927 /nfs/dbraw/zinc/45/59/27/524455927.db2.gz ZHPSLUDNTCXIPG-CXAGYDPISA-N 0 3 372.429 1.978 20 5 FDBDHN CC(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000112914834 524589537 /nfs/dbraw/zinc/58/95/37/524589537.db2.gz ZXJFKWOXOBSDTP-MRXNPFEDSA-N 0 3 374.445 1.473 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112916862 524593229 /nfs/dbraw/zinc/59/32/29/524593229.db2.gz UBSRUEQJUXUIJL-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000122731332 524603334 /nfs/dbraw/zinc/60/33/34/524603334.db2.gz ORNJNVYQVLFHLO-QWHCGFSZSA-N 0 3 351.403 1.923 20 5 FDBDHN Cc1c(CC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122766915 524612347 /nfs/dbraw/zinc/61/23/47/524612347.db2.gz VQNXIVZYACHMRJ-GOSISDBHSA-N 0 3 362.474 1.834 20 5 FDBDHN CN(CCCN1CCN(C)CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000174716798 524703715 /nfs/dbraw/zinc/70/37/15/524703715.db2.gz SZFRCHGMZJXMFY-UHFFFAOYSA-N 0 3 363.462 1.127 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000115585728 525028548 /nfs/dbraw/zinc/02/85/48/525028548.db2.gz HRGKKCJMJYGVKX-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161555787 525128486 /nfs/dbraw/zinc/12/84/86/525128486.db2.gz CIWDDELOFURTKI-UHFFFAOYSA-N 0 3 360.418 1.565 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000161652480 525145267 /nfs/dbraw/zinc/14/52/67/525145267.db2.gz OGFONVOFSRQLIO-AWEZNQCLSA-N 0 3 371.459 1.274 20 5 FDBDHN CC1CC[NH+](C[C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000161677475 525150297 /nfs/dbraw/zinc/15/02/97/525150297.db2.gz VOTQBXGMEJBPDJ-LLVKDONJSA-N 0 3 363.461 1.027 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000116451330 525159542 /nfs/dbraw/zinc/15/95/42/525159542.db2.gz IUFXBLDUKSPRLL-GFCCVEGCSA-N 0 3 354.382 1.139 20 5 FDBDHN CC(C)[C@H](CCO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000162184634 525223003 /nfs/dbraw/zinc/22/30/03/525223003.db2.gz BBEGXZPCZWDWSA-KRWDZBQOSA-N 0 3 364.446 1.240 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000125863284 525244831 /nfs/dbraw/zinc/24/48/31/525244831.db2.gz UKXAYXJZGNIGRK-INIZCTEOSA-N 0 3 359.430 1.779 20 5 FDBDHN CN(C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000102324145 525281663 /nfs/dbraw/zinc/28/16/63/525281663.db2.gz HCPDEMXNUNJZTH-OAHLLOKOSA-N 0 3 359.430 1.816 20 5 FDBDHN CN(C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000177477428 525297780 /nfs/dbraw/zinc/29/77/80/525297780.db2.gz XHURVKXGSYHWPY-CHWSQXEVSA-N 0 3 369.443 1.601 20 5 FDBDHN C[C@@H]1CC[C@H](C(N)=O)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339049 525324236 /nfs/dbraw/zinc/32/42/36/525324236.db2.gz XSHYMSZNWNUGQQ-NEPJUHHUSA-N 0 3 362.386 1.479 20 5 FDBDHN CC1(C)C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000178006452 525369815 /nfs/dbraw/zinc/36/98/15/525369815.db2.gz ZPXHOZMYQFHWAB-AWEZNQCLSA-N 0 3 371.459 1.809 20 5 FDBDHN C[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000163419181 525407249 /nfs/dbraw/zinc/40/72/49/525407249.db2.gz AQIIGVHICIJGFA-GOSISDBHSA-N 0 3 357.414 1.962 20 5 FDBDHN COc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104755233 525430546 /nfs/dbraw/zinc/43/05/46/525430546.db2.gz WSAGYCDQFWAFHX-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000178656820 525459844 /nfs/dbraw/zinc/45/98/44/525459844.db2.gz XQVZNYMERPNUNV-INIZCTEOSA-N 0 3 353.444 1.985 20 5 FDBDHN CCN1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000105599402 525519228 /nfs/dbraw/zinc/51/92/28/525519228.db2.gz MCZZUXDQCABQDF-UHFFFAOYSA-N 0 3 351.403 1.925 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000179337590 525561996 /nfs/dbraw/zinc/56/19/96/525561996.db2.gz BUGSTSWWMIYMAV-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN CCOCCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000106106754 525593969 /nfs/dbraw/zinc/59/39/69/525593969.db2.gz JHGOCLQSNXXJQO-UHFFFAOYSA-N 0 3 364.446 1.886 20 5 FDBDHN COc1ccc(OCCN2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000119501395 525768495 /nfs/dbraw/zinc/76/84/95/525768495.db2.gz HAERTEDSRZTISR-AWEZNQCLSA-N 0 3 361.402 1.986 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171088494 525835132 /nfs/dbraw/zinc/83/51/32/525835132.db2.gz WMBLVEKEYLRFIM-DOTOQJQBSA-N 0 3 374.441 1.718 20 5 FDBDHN CCO[C@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000181613422 525881344 /nfs/dbraw/zinc/88/13/44/525881344.db2.gz IVPHFMPHFHGXHW-CABCVRRESA-N 0 3 371.459 1.666 20 5 FDBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000109312061 526107800 /nfs/dbraw/zinc/10/78/00/526107800.db2.gz USIWVAVOLBUNOH-AWEZNQCLSA-N 0 3 362.430 1.561 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000182251328 526111825 /nfs/dbraw/zinc/11/18/25/526111825.db2.gz VVSVRSYWYNFQNY-INIZCTEOSA-N 0 3 365.430 1.131 20 5 FDBDHN CCc1n[nH]c(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000171806221 526129307 /nfs/dbraw/zinc/12/93/07/526129307.db2.gz KIGPYKAJXLTMAC-UHFFFAOYSA-N 0 3 361.402 1.751 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183443098 535982876 /nfs/dbraw/zinc/98/28/76/535982876.db2.gz LETAWQCCOJNEOF-KRWDZBQOSA-N 0 3 370.409 1.795 20 5 FDBDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183559136 536003353 /nfs/dbraw/zinc/00/33/53/536003353.db2.gz KHGQZMBJBSRKAL-CQSZACIVSA-N 0 3 362.434 1.624 20 5 FDBDHN Cc1nn(C)c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000183788333 536048570 /nfs/dbraw/zinc/04/85/70/536048570.db2.gz UEWBZWPWSRIMDH-HNNXBMFYSA-N 0 3 373.413 1.133 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000184826292 536186447 /nfs/dbraw/zinc/18/64/47/536186447.db2.gz GCHLOHOTMKYZNY-CYBMUJFWSA-N 0 3 361.446 1.917 20 5 FDBDHN CCN1CCN(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184926551 536191818 /nfs/dbraw/zinc/19/18/18/536191818.db2.gz UNHXMNSWDPHPCN-CYBMUJFWSA-N 0 3 352.410 1.591 20 5 FDBDHN O=C([C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000246371965 536939195 /nfs/dbraw/zinc/93/91/95/536939195.db2.gz YPOCHUUANCESPB-NVXWUHKLSA-N 0 3 363.414 1.199 20 5 FDBDHN COC(=O)c1cc(C(=O)NC[C@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1 ZINC000267102580 536954687 /nfs/dbraw/zinc/95/46/87/536954687.db2.gz LFASOPXHMJYKJH-MRXNPFEDSA-N 0 3 367.427 1.549 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000246479337 536962564 /nfs/dbraw/zinc/96/25/64/536962564.db2.gz WRKNHDROZPINCR-JSGCOSHPSA-N 0 3 371.459 1.954 20 5 FDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000246936494 537054367 /nfs/dbraw/zinc/05/43/67/537054367.db2.gz AJPPTRUNEMJXRX-CABCVRRESA-N 0 3 362.386 1.314 20 5 FDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189686924 537081318 /nfs/dbraw/zinc/08/13/18/537081318.db2.gz UQASDGIZRRIPFU-ZDUSSCGKSA-N 0 3 355.366 1.800 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000247150075 537087696 /nfs/dbraw/zinc/08/76/96/537087696.db2.gz SVDSDCNZHQHABN-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000263814692 537107961 /nfs/dbraw/zinc/10/79/61/537107961.db2.gz RSNAFHBQROWZHA-KRWDZBQOSA-N 0 3 374.441 1.718 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(C2CCCC2)CC1 ZINC000265553989 537156567 /nfs/dbraw/zinc/15/65/67/537156567.db2.gz HTKXTTQENLAGIG-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248436106 537181673 /nfs/dbraw/zinc/18/16/73/537181673.db2.gz ANLHDLFONZTCHA-HDMKZQKVSA-N 0 3 350.415 1.962 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000266135902 537189640 /nfs/dbraw/zinc/18/96/40/537189640.db2.gz GYCCZDQLTORJTF-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000248711782 537208442 /nfs/dbraw/zinc/20/84/42/537208442.db2.gz BKJQKKDHRUSNGN-WMLDXEAASA-N 0 3 370.409 1.393 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1Cn1ccnn1 ZINC000363670430 537272610 /nfs/dbraw/zinc/27/26/10/537272610.db2.gz JRMHFNOOXKWGHS-LSDHHAIUSA-N 0 3 361.402 1.481 20 5 FDBDHN COc1cc(CNC[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407540 537282945 /nfs/dbraw/zinc/28/29/45/537282945.db2.gz KNLGHQYGZAVZNL-HNNXBMFYSA-N 0 3 362.329 1.488 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000273046983 537389049 /nfs/dbraw/zinc/38/90/49/537389049.db2.gz IUIZWAICPRVDFY-WFASDCNBSA-N 0 3 360.414 1.232 20 5 FDBDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273324532 537430298 /nfs/dbraw/zinc/43/02/98/537430298.db2.gz KXMZOHVATTZLQN-ZDUSSCGKSA-N 0 3 354.403 1.998 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000299246961 537507061 /nfs/dbraw/zinc/50/70/61/537507061.db2.gz CZHGXGPIZAIYBD-UHFFFAOYSA-N 0 3 359.430 1.834 20 5 FDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000284763712 537515721 /nfs/dbraw/zinc/51/57/21/537515721.db2.gz MKWCSLYPABUISP-WMZOPIPTSA-N 0 3 359.430 1.011 20 5 FDBDHN COCCN1CCC(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000299265312 537524202 /nfs/dbraw/zinc/52/42/02/537524202.db2.gz XMSWWNPVDPQAOZ-UHFFFAOYSA-N 0 3 366.418 1.513 20 5 FDBDHN CC[C@@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N(C)C ZINC000274817823 537531861 /nfs/dbraw/zinc/53/18/61/537531861.db2.gz WXLAYOTUSJESLA-INIZCTEOSA-N 0 3 374.445 1.850 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293934668 537626322 /nfs/dbraw/zinc/62/63/22/537626322.db2.gz QCLYVRSDIRUPCI-DLBZAZTESA-N 0 3 362.430 1.718 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCNCc1cccnc1 ZINC000237668082 537636295 /nfs/dbraw/zinc/63/62/95/537636295.db2.gz GHSVHKBRWKVXSN-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293996633 537637342 /nfs/dbraw/zinc/63/73/42/537637342.db2.gz XAGZLKVQBPJDBX-DOTOQJQBSA-N 0 3 363.414 1.685 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291833191 537682738 /nfs/dbraw/zinc/68/27/38/537682738.db2.gz GCULAQAYEXMPHG-HNNXBMFYSA-N 0 3 373.406 1.459 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000291962016 537693902 /nfs/dbraw/zinc/69/39/02/537693902.db2.gz WQNDFVBPQQAJFK-PBHICJAKSA-N 0 3 370.409 1.536 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292082173 537706461 /nfs/dbraw/zinc/70/64/61/537706461.db2.gz RDPWSSRHSYUCGA-AWEZNQCLSA-N 0 3 359.835 1.965 20 5 FDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000298224184 537717738 /nfs/dbraw/zinc/71/77/38/537717738.db2.gz IMHHONDCMZKWGP-KRWDZBQOSA-N 0 3 374.441 1.638 20 5 FDBDHN O=C1NC(=O)[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]12 ZINC000366547730 537779847 /nfs/dbraw/zinc/77/98/47/537779847.db2.gz BJRJOXBFORCVLT-OCCSQVGLSA-N 0 3 355.350 1.949 20 5 FDBDHN CCS(=O)(=O)CCCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414353359 537788372 /nfs/dbraw/zinc/78/83/72/537788372.db2.gz YLXXHRNRYQTFQR-GFCCVEGCSA-N 0 3 357.432 1.726 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC000416422507 537839222 /nfs/dbraw/zinc/83/92/22/537839222.db2.gz MFVIHIHDVFLOSV-STQMWFEESA-N 0 3 371.415 1.142 20 5 FDBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000411083583 538045839 /nfs/dbraw/zinc/04/58/39/538045839.db2.gz FLUBKTDBNXURML-CYBMUJFWSA-N 0 3 362.386 1.444 20 5 FDBDHN CN(Cc1ccccc1)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369950985 538080686 /nfs/dbraw/zinc/08/06/86/538080686.db2.gz HAGZFZBZRVTTFL-FUHWJXTLSA-N 0 3 359.430 1.359 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(N(C)C)CCC1 ZINC000438529197 538119860 /nfs/dbraw/zinc/11/98/60/538119860.db2.gz DDGRSIFSOVWVSR-LBPRGKRZSA-N 0 3 352.439 1.428 20 5 FDBDHN COC(=O)Cc1ccc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000450327354 538122312 /nfs/dbraw/zinc/12/23/12/538122312.db2.gz LRKPXXVVFNMDGI-HNNXBMFYSA-N 0 3 365.430 1.815 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424222916 538260683 /nfs/dbraw/zinc/26/06/83/538260683.db2.gz GONPGQSOYFQJLO-LSDHHAIUSA-N 0 3 357.414 1.820 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000434785032 538351071 /nfs/dbraw/zinc/35/10/71/538351071.db2.gz NFJKMEIGGDDLGD-STQMWFEESA-N 0 3 353.423 1.105 20 5 FDBDHN C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000437459276 538416907 /nfs/dbraw/zinc/41/69/07/538416907.db2.gz MMGJOPUTZVITOD-CQSZACIVSA-N 0 3 358.402 1.309 20 5 FDBDHN CNC(=O)CCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494922234 538607975 /nfs/dbraw/zinc/60/79/75/538607975.db2.gz JCFAZXYZXURRNR-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462701199 538653115 /nfs/dbraw/zinc/65/31/15/538653115.db2.gz HMJWVPPWQQZAFJ-SFHVURJKSA-N 0 3 358.398 2.047 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000560629588 545560275 /nfs/dbraw/zinc/56/02/75/545560275.db2.gz OPRUTRSZAQSKMM-UHFFFAOYSA-N 0 3 374.235 1.710 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000478446203 538743663 /nfs/dbraw/zinc/74/36/63/538743663.db2.gz LUTFLSQULAQZDL-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(N)=O)C(C)(C)C ZINC000474275511 538831683 /nfs/dbraw/zinc/83/16/83/538831683.db2.gz MJYZKFKVCXDGCD-UHFFFAOYSA-N 0 3 352.391 1.518 20 5 FDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000489740323 538838698 /nfs/dbraw/zinc/83/86/98/538838698.db2.gz FTEGZXLMNCBFGF-KCQAQPDRSA-N 0 3 350.423 1.163 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476359427 538864524 /nfs/dbraw/zinc/86/45/24/538864524.db2.gz QIZFCKLVJPGSFG-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN N[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000562981232 546340256 /nfs/dbraw/zinc/34/02/56/546340256.db2.gz WYTNJBIHJCLYRO-LBPRGKRZSA-N 0 3 355.350 1.896 20 5 FDBDHN CC1(C)CCN(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000563393344 546516340 /nfs/dbraw/zinc/51/63/40/546516340.db2.gz UGWJRPPFWBHUKL-UHFFFAOYSA-N 0 3 372.429 1.798 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000564056400 546789123 /nfs/dbraw/zinc/78/91/23/546789123.db2.gz HGTBMPAVKUENIO-SFHVURJKSA-N 0 3 362.430 1.360 20 5 FDBDHN Cc1cccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000564975938 547137087 /nfs/dbraw/zinc/13/70/87/547137087.db2.gz OJDFHLXJFFSQTR-IRXDYDNUSA-N 0 3 360.410 1.836 20 5 FDBDHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000565913477 547530696 /nfs/dbraw/zinc/53/06/96/547530696.db2.gz KCFCCOARYAXCCZ-HNNXBMFYSA-N 0 3 356.448 1.345 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566489250 547778856 /nfs/dbraw/zinc/77/88/56/547778856.db2.gz JRTQWEPVOIJFHA-MWLCHTKSSA-N 0 3 358.320 1.670 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N(CCN1CCCCCC1)C1CCC1 ZINC000566819424 547897285 /nfs/dbraw/zinc/89/72/85/547897285.db2.gz JIBZYBBNBJTXNO-UHFFFAOYSA-N 0 3 350.423 1.443 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@]1(O)CN2CCC1CC2 ZINC000572899180 550020359 /nfs/dbraw/zinc/02/03/59/550020359.db2.gz VQTDUVAMZFGJMT-SFHVURJKSA-N 0 3 358.398 1.122 20 5 FDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577504598 550663919 /nfs/dbraw/zinc/66/39/19/550663919.db2.gz JLFYQIRGBBOZGI-ICCXJUOJSA-N 0 3 357.794 1.149 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)CC2CCCC2)cc1 ZINC000577503513 550664124 /nfs/dbraw/zinc/66/41/24/550664124.db2.gz RUTFADMNJYETRZ-OAHLLOKOSA-N 0 3 371.459 1.404 20 5 FDBDHN COCCN(C)C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578335775 550753184 /nfs/dbraw/zinc/75/31/84/550753184.db2.gz QTAXQYTXQGLEDG-WMZOPIPTSA-N 0 3 351.447 1.713 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000580796858 551019483 /nfs/dbraw/zinc/01/94/83/551019483.db2.gz GXTSYXPWJWOTCY-GOEBONIOSA-N 0 3 366.414 1.604 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000582300526 551204011 /nfs/dbraw/zinc/20/40/11/551204011.db2.gz NBSWIXUJWGMOBQ-UHFFFAOYSA-N 0 3 367.349 1.892 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000583509113 551362920 /nfs/dbraw/zinc/36/29/20/551362920.db2.gz CYUFWKJTBRZZAA-RYUDHWBXSA-N 0 3 358.192 1.104 20 5 FDBDHN CN1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000583872580 551414120 /nfs/dbraw/zinc/41/41/20/551414120.db2.gz UCGKUUJETJLWTB-LBPRGKRZSA-N 0 3 356.810 1.118 20 5 FDBDHN CN(C)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000584585589 551522299 /nfs/dbraw/zinc/52/22/99/551522299.db2.gz MJRLENKBZRIANH-DZGCQCFKSA-N 0 3 355.460 1.831 20 5 FDBDHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584694557 551531047 /nfs/dbraw/zinc/53/10/47/551531047.db2.gz DFMIJGRAIYDZQG-WMLDXEAASA-N 0 3 374.441 1.463 20 5 FDBDHN O=c1[nH]c(N2CCN(c3ccncc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000587029751 551629561 /nfs/dbraw/zinc/62/95/61/551629561.db2.gz NFYAKRBQHHMLIR-UHFFFAOYSA-N 0 3 352.354 1.965 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000588056067 551643484 /nfs/dbraw/zinc/64/34/84/551643484.db2.gz SPOADICQTZJCIM-OAHLLOKOSA-N 0 3 360.414 1.120 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860157 551694038 /nfs/dbraw/zinc/69/40/38/551694038.db2.gz DZECFLLWIRDVAK-KGLIPLIRSA-N 0 3 353.806 1.458 20 5 FDBDHN COCCN(C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589610963 551738154 /nfs/dbraw/zinc/73/81/54/551738154.db2.gz VPAFSNHKUUDFRU-UHFFFAOYSA-N 0 3 352.391 1.077 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589614913 551738392 /nfs/dbraw/zinc/73/83/92/551738392.db2.gz WMELUVYQZHQEOS-LRDDRELGSA-N 0 3 360.414 1.982 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000590446094 551785784 /nfs/dbraw/zinc/78/57/84/551785784.db2.gz RHEAIRFXKBLCGM-GWCFXTLKSA-N 0 3 366.805 1.141 20 5 FDBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000590550862 551791373 /nfs/dbraw/zinc/79/13/73/551791373.db2.gz SSNOGVSGRXKVTA-DLBZAZTESA-N 0 3 371.397 1.062 20 5 FDBDHN CSc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000590550884 551791382 /nfs/dbraw/zinc/79/13/82/551791382.db2.gz SVNIDOAZBUWNFT-STQMWFEESA-N 0 3 351.428 1.598 20 5 FDBDHN CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](CN)C1 ZINC000591279330 551855582 /nfs/dbraw/zinc/85/55/82/551855582.db2.gz CTBVWCKOSPQBHF-JTQLQIEISA-N 0 3 359.333 1.303 20 5 FDBDHN CO[C@H](CN)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000591672141 551894941 /nfs/dbraw/zinc/89/49/41/551894941.db2.gz DCEHGZUVIGXJSY-TZMCWYRMSA-N 0 3 353.375 1.068 20 5 FDBDHN CO[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000591745516 551905599 /nfs/dbraw/zinc/90/55/99/551905599.db2.gz LPUSNGUZUJYZMV-GJZGRUSLSA-N 0 3 354.794 1.783 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000591985515 551923473 /nfs/dbraw/zinc/92/34/73/551923473.db2.gz PPLCPXNRSPACJP-VIFPVBQESA-N 0 3 372.223 1.309 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CCNC2 ZINC000592470812 551998831 /nfs/dbraw/zinc/99/88/31/551998831.db2.gz JAIBWWDAIGITJR-GFCCVEGCSA-N 0 3 368.393 1.998 20 5 FDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593062692 552057468 /nfs/dbraw/zinc/05/74/68/552057468.db2.gz FCRFUWVJIDEDHG-NWDGAFQWSA-N 0 3 353.375 1.014 20 5 FDBDHN COCCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101468 552062164 /nfs/dbraw/zinc/06/21/64/552062164.db2.gz VJXNKVDQTZVKCW-INIZCTEOSA-N 0 3 367.446 1.377 20 5 FDBDHN COCCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593102333 552062381 /nfs/dbraw/zinc/06/23/81/552062381.db2.gz YZZBAJQCYXWPBU-UHFFFAOYSA-N 0 3 364.446 1.966 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593459231 552111715 /nfs/dbraw/zinc/11/17/15/552111715.db2.gz YDLORWRDZJCANP-UHFFFAOYSA-N 0 3 352.410 1.372 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593495760 552117622 /nfs/dbraw/zinc/11/76/22/552117622.db2.gz IGEJTTVAEMUNFH-HZPDHXFCSA-N 0 3 357.414 1.808 20 5 FDBDHN CCOc1cc(C(=O)N[C@H](CN)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594450924 552313293 /nfs/dbraw/zinc/31/32/93/552313293.db2.gz ABHGREXCNQTGSF-LLVKDONJSA-N 0 3 351.281 1.622 20 5 FDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594711938 552361283 /nfs/dbraw/zinc/36/12/83/552361283.db2.gz SECLKZKKTIKZKM-BLLLJJGKSA-N 0 3 351.403 1.953 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN(C)CCC[NH+](C)C ZINC000594804317 552391473 /nfs/dbraw/zinc/39/14/73/552391473.db2.gz WSKHHDVZEWDEEG-AWEZNQCLSA-N 0 3 372.491 1.454 20 5 FDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595122091 552457974 /nfs/dbraw/zinc/45/79/74/552457974.db2.gz QVJGTDRNEMFINZ-SSDOTTSWSA-N 0 3 352.210 1.244 20 5 FDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275332 552509896 /nfs/dbraw/zinc/50/98/96/552509896.db2.gz KEWYPZADWRHYLP-UHFFFAOYSA-N 0 3 374.401 1.669 20 5 FDBDHN CCN1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000595535278 552580315 /nfs/dbraw/zinc/58/03/15/552580315.db2.gz MBVLMVNRSCWODO-GFCCVEGCSA-N 0 3 364.402 1.678 20 5 FDBDHN Cc1c(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595587073 552588599 /nfs/dbraw/zinc/58/85/99/552588599.db2.gz BQHGQRZDXGGHPR-INIZCTEOSA-N 0 3 362.430 1.956 20 5 FDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595631305 552595480 /nfs/dbraw/zinc/59/54/80/552595480.db2.gz GWXBBAJAELTYOU-GZBFAFLISA-N 0 3 351.403 1.689 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@](CO)(OC)C1 ZINC000595661549 552599221 /nfs/dbraw/zinc/59/92/21/552599221.db2.gz WOWKTEJCMNXSCP-QGZVFWFLSA-N 0 3 367.402 1.405 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595907085 552631701 /nfs/dbraw/zinc/63/17/01/552631701.db2.gz FXTUYJJKXNHGMR-PELKAZGASA-N 0 3 364.324 1.752 20 5 FDBDHN O=C(c1cccc2c1CCNC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595955394 552638190 /nfs/dbraw/zinc/63/81/90/552638190.db2.gz YCLFQUNIABIGJT-UHFFFAOYSA-N 0 3 355.398 1.914 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000595985829 552641151 /nfs/dbraw/zinc/64/11/51/552641151.db2.gz BZRVLIMKIMNWDO-LDYMZIIASA-N 0 3 362.308 1.061 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596051345 552650146 /nfs/dbraw/zinc/65/01/46/552650146.db2.gz NBHHVHOCZHBOCZ-JTQLQIEISA-N 0 3 357.310 1.114 20 5 FDBDHN CCN1CCN(Cc2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)cc2)CC1 ZINC000596076179 552653243 /nfs/dbraw/zinc/65/32/43/552653243.db2.gz MHTHFTXRDHASIL-UHFFFAOYSA-N 0 3 370.457 2.322 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091375 552654218 /nfs/dbraw/zinc/65/42/18/552654218.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 0 3 372.473 2.287 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000596169206 552661594 /nfs/dbraw/zinc/66/15/94/552661594.db2.gz SQWFKXYGYLZVAF-UHFFFAOYSA-N 0 3 368.459 1.697 20 5 FDBDHN NC(=O)c1ccnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422515 552677776 /nfs/dbraw/zinc/67/77/76/552677776.db2.gz DDWRJBMVRVTXBK-AWEZNQCLSA-N 0 3 371.397 1.267 20 5 FDBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597584380 552808876 /nfs/dbraw/zinc/80/88/76/552808876.db2.gz FUKWQRLPDXFWLS-GOSISDBHSA-N 0 3 365.430 1.911 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597586096 552809075 /nfs/dbraw/zinc/80/90/75/552809075.db2.gz LRRYBDSNIYGPBX-MRXNPFEDSA-N 0 3 353.444 1.602 20 5 FDBDHN CC1CCN(c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000597652983 552817935 /nfs/dbraw/zinc/81/79/35/552817935.db2.gz GXLFHPMHBKVWCE-OAHLLOKOSA-N 0 3 364.446 1.483 20 5 FDBDHN C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597694167 552823369 /nfs/dbraw/zinc/82/33/69/552823369.db2.gz JESFUYAXXKIRPF-ZDUSSCGKSA-N 0 3 364.421 1.543 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597857653 552841471 /nfs/dbraw/zinc/84/14/71/552841471.db2.gz HWMXBUGXMGYRTC-HNNXBMFYSA-N 0 3 362.430 1.704 20 5 FDBDHN CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597946007 552849083 /nfs/dbraw/zinc/84/90/83/552849083.db2.gz MNPWLVRLBRJWBX-NSHDSACASA-N 0 3 368.821 1.531 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598184584 552873479 /nfs/dbraw/zinc/87/34/79/552873479.db2.gz DXJVVRJWUWRNAM-UHFFFAOYSA-N 0 3 362.386 1.433 20 5 FDBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598186048 552873712 /nfs/dbraw/zinc/87/37/12/552873712.db2.gz RLFRDWFXLQKNBJ-UHFFFAOYSA-N 0 3 364.446 1.810 20 5 FDBDHN COc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc([N+](=O)[O-])c1C ZINC000598188701 552874109 /nfs/dbraw/zinc/87/41/09/552874109.db2.gz YMASERXKMUITQO-UHFFFAOYSA-N 0 3 366.418 1.004 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598195598 552875073 /nfs/dbraw/zinc/87/50/73/552875073.db2.gz OYQKHPIBDBMENT-QGZVFWFLSA-N 0 3 371.441 1.875 20 5 FDBDHN CC[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598531701 552906352 /nfs/dbraw/zinc/90/63/52/552906352.db2.gz OXEZBFCIXMPEGV-WDEREUQCSA-N 0 3 368.821 1.577 20 5 FDBDHN C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000598591135 552912488 /nfs/dbraw/zinc/91/24/88/552912488.db2.gz UFSSLYUNCVVZGQ-KGLIPLIRSA-N 0 3 364.450 1.754 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598893691 552940353 /nfs/dbraw/zinc/94/03/53/552940353.db2.gz CECMWGOVCWZIRE-ZDUSSCGKSA-N 0 3 363.418 1.564 20 5 FDBDHN CCN1CCC(N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598896995 552940779 /nfs/dbraw/zinc/94/07/79/552940779.db2.gz UWPIMYRYNNQIEB-UHFFFAOYSA-N 0 3 363.418 1.659 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896778 552940813 /nfs/dbraw/zinc/94/08/13/552940813.db2.gz OJKZKKPANKRIDL-OAHLLOKOSA-N 0 3 363.418 1.659 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599040625 552961911 /nfs/dbraw/zinc/96/19/11/552961911.db2.gz MDLBNRBAENAESM-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599413552 553051363 /nfs/dbraw/zinc/05/13/63/553051363.db2.gz ZXYAHYJYNBLUIV-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(N2CCOCC2)CC1 ZINC000599472495 553067684 /nfs/dbraw/zinc/06/76/84/553067684.db2.gz HNQDCGTYLUQGLG-INIZCTEOSA-N 0 3 365.430 1.131 20 5 FDBDHN COC(=O)[C@]1(OC)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599563730 553087906 /nfs/dbraw/zinc/08/79/06/553087906.db2.gz CTQOXVOUYUJSTG-KRWDZBQOSA-N 0 3 365.386 1.496 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623186 553106268 /nfs/dbraw/zinc/10/62/68/553106268.db2.gz JWJKSUVKLGVSBM-HDICACEKSA-N 0 3 365.430 1.545 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164405 553354975 /nfs/dbraw/zinc/35/49/75/553354975.db2.gz CNDAGYHJMJQKFA-ZDUSSCGKSA-N 0 3 352.410 1.737 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000601276513 553367905 /nfs/dbraw/zinc/36/79/05/553367905.db2.gz LUEPYNCDMKDOQJ-JYJNAYRXSA-N 0 3 366.439 1.916 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601312866 553374051 /nfs/dbraw/zinc/37/40/51/553374051.db2.gz MYPCAAKCCXJXBT-CQSZACIVSA-N 0 3 364.421 1.974 20 5 FDBDHN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000601391755 553392454 /nfs/dbraw/zinc/39/24/54/553392454.db2.gz AWXRZLFKHZEWIU-UKRRQHHQSA-N 0 3 364.421 1.832 20 5 FDBDHN COCCn1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602651494 553617900 /nfs/dbraw/zinc/61/79/00/553617900.db2.gz IKKSSKAPQKFFGY-UHFFFAOYSA-N 0 3 360.418 1.591 20 5 FDBDHN Cn1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602699122 553624011 /nfs/dbraw/zinc/62/40/11/553624011.db2.gz LUHJUIYZJACQAP-ZWKOTPCHSA-N 0 3 371.441 1.804 20 5 FDBDHN COC[C@]1(C(=O)OC(C)(C)C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602963894 553682015 /nfs/dbraw/zinc/68/20/15/553682015.db2.gz JRGGJVPFRQWOKD-KRWDZBQOSA-N 0 3 368.434 1.780 20 5 FDBDHN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CCN(C2CC2)CC1 ZINC000608869594 554326608 /nfs/dbraw/zinc/32/66/08/554326608.db2.gz DYCYLWWMIXFATE-UHFFFAOYSA-N 0 3 370.413 1.596 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000608905319 554328003 /nfs/dbraw/zinc/32/80/03/554328003.db2.gz BYVBSRYDMIHCMR-MRXNPFEDSA-N 0 3 360.414 1.411 20 5 FDBDHN CCN1CCC(N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000609027015 554334511 /nfs/dbraw/zinc/33/45/11/554334511.db2.gz CBNIDWBXEVVBAJ-UHFFFAOYSA-N 0 3 358.402 1.732 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000610404656 554500467 /nfs/dbraw/zinc/50/04/67/554500467.db2.gz HUYROLWMVYTNRV-KGLIPLIRSA-N 0 3 362.434 1.304 20 5 FDBDHN CC(C)(CO)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610481216 554516632 /nfs/dbraw/zinc/51/66/32/554516632.db2.gz RDVALLUBQXGVFV-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610925530 554581774 /nfs/dbraw/zinc/58/17/74/554581774.db2.gz XDPVNIYVKIWZGS-GFCCVEGCSA-N 0 3 351.407 1.424 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712888 554670001 /nfs/dbraw/zinc/67/00/01/554670001.db2.gz RWJYAVHNMIXUOG-MRXNPFEDSA-N 0 3 370.413 1.457 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938055 554706007 /nfs/dbraw/zinc/70/60/07/554706007.db2.gz HJEMYLQLSIWOQD-RBUKOAKNSA-N 0 3 373.457 1.969 20 5 FDBDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000612118797 554736576 /nfs/dbraw/zinc/73/65/76/554736576.db2.gz PWIFBEJAJCXYQQ-YOEHRIQHSA-N 0 3 365.430 1.571 20 5 FDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000613078612 554879533 /nfs/dbraw/zinc/87/95/33/554879533.db2.gz WLYVDQZZZWTRCQ-OKILXGFUSA-N 0 3 361.446 1.465 20 5 FDBDHN COc1cccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000618212394 555590512 /nfs/dbraw/zinc/59/05/12/555590512.db2.gz UXCSCUNKHAXDCV-ZDUSSCGKSA-N 0 3 362.430 1.502 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000618923379 555696615 /nfs/dbraw/zinc/69/66/15/555696615.db2.gz HTYJLWSJSHBPMR-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000619570375 555800930 /nfs/dbraw/zinc/80/09/30/555800930.db2.gz ASMAMAVSILVOND-ZDUSSCGKSA-N 0 3 351.451 1.355 20 5 FDBDHN CS(=O)(=O)NC1CC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000619748034 555830258 /nfs/dbraw/zinc/83/02/58/555830258.db2.gz WIPQLTGNHFHEKU-UHFFFAOYSA-N 0 3 365.358 1.366 20 5 FDBDHN CS[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000290984009 567916483 /nfs/dbraw/zinc/91/64/83/567916483.db2.gz SDJTXPYTGRWBLB-RYUDHWBXSA-N 0 3 351.432 1.105 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 ZINC000272024700 674406686 /nfs/dbraw/zinc/40/66/86/674406686.db2.gz WAOTXVXSYRFDFS-CYBMUJFWSA-N 0 3 353.444 1.914 20 5 FDBDHN C[NH+](C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000821581878 607162542 /nfs/dbraw/zinc/16/25/42/607162542.db2.gz XHRUAYLJTGLRPM-JTQLQIEISA-N 0 3 360.403 1.946 20 5 FDBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826499264 607978176 /nfs/dbraw/zinc/97/81/76/607978176.db2.gz BRILCPABVYRYCH-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826499264 607978177 /nfs/dbraw/zinc/97/81/77/607978177.db2.gz BRILCPABVYRYCH-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H](F)CN1 ZINC000275763538 674635976 /nfs/dbraw/zinc/63/59/76/674635976.db2.gz PVADMIMHWBZSJP-GXSJLCMTSA-N 0 3 364.299 1.842 20 5 FDBDHN COC(=O)c1cc(NC(=O)NC[C@@H]2CCCN2C)c(C)c([N+](=O)[O-])c1 ZINC000277210932 674886501 /nfs/dbraw/zinc/88/65/01/674886501.db2.gz MJXBWRAJMYXJQC-LBPRGKRZSA-N 0 3 350.375 1.906 20 5 FDBDHN CS(=O)(=O)N1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278725331 675186139 /nfs/dbraw/zinc/18/61/39/675186139.db2.gz MIVHRIAZSADSAS-XJKSGUPXSA-N 0 3 353.444 1.986 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000262782227 672849192 /nfs/dbraw/zinc/84/91/92/672849192.db2.gz ZKGPAWBINYVXFC-UHFFFAOYSA-N 0 3 364.221 1.388 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000267758959 673323317 /nfs/dbraw/zinc/32/33/17/673323317.db2.gz QBZSSOCHRHFZPP-DZGCQCFKSA-N 0 3 350.419 1.984 20 5 FDBDHN Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280529898 675432589 /nfs/dbraw/zinc/43/25/89/675432589.db2.gz LDDKESQWAVFWTF-UHFFFAOYSA-N 0 3 350.419 1.036 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361582322 676897039 /nfs/dbraw/zinc/89/70/39/676897039.db2.gz KSNLISYOAJMKLF-CHWSQXEVSA-N 0 3 350.375 1.588 20 5 FDBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000363119941 676936218 /nfs/dbraw/zinc/93/62/18/676936218.db2.gz OGJRRMHBLKHOKA-UHFFFAOYSA-N 0 3 351.403 1.788 20 5 FDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422945135 680767418 /nfs/dbraw/zinc/76/74/18/680767418.db2.gz MPAGFGDMUIWBME-NSHDSACASA-N 0 3 365.415 1.031 20 5 FDBDHN CCc1nn(C)c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000377141950 678462067 /nfs/dbraw/zinc/46/20/67/678462067.db2.gz PDLBFDAZWHGJOQ-CQSZACIVSA-N 0 3 350.467 1.495 20 5 FDBDHN CCc1nn(C)c(N2CCCC[C@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377173662 678472110 /nfs/dbraw/zinc/47/21/10/678472110.db2.gz ACSKVKPNOUPVIB-AWEZNQCLSA-N 0 3 350.467 1.497 20 5 FDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420435489 680449400 /nfs/dbraw/zinc/44/94/00/680449400.db2.gz HAJCXUPZNHUKKK-NKWVEPMBSA-N 0 3 352.210 1.371 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2CCN(C3CC3)CC2)c1 ZINC000445086708 682449360 /nfs/dbraw/zinc/44/93/60/682449360.db2.gz XCHLRZNIJJAQFZ-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451940229 682976166 /nfs/dbraw/zinc/97/61/66/682976166.db2.gz SRDKYTQBTDTBCH-UKRRQHHQSA-N 0 3 353.375 1.326 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452783795 683118589 /nfs/dbraw/zinc/11/85/89/683118589.db2.gz NCTNNYMEXIKQSM-AWEZNQCLSA-N 0 3 351.403 1.570 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000498503137 687798777 /nfs/dbraw/zinc/79/87/77/687798777.db2.gz AUMRTFKJQDKQKV-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN O=C(N[C@H]1C[C@@H](NCc2nnc(-c3cccs3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064564 777711462 /nfs/dbraw/zinc/71/14/62/777711462.db2.gz JOICVJYQBNHWKG-LMLFDSFASA-N 0 3 363.399 1.200 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000277356047 781564972 /nfs/dbraw/zinc/56/49/72/781564972.db2.gz AGFJKWBVWSKTLW-HNNXBMFYSA-N 0 3 373.413 1.349 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467723424 805644667 /nfs/dbraw/zinc/64/46/67/805644667.db2.gz OQOMOIMODAZZFJ-LEWSCRJBSA-N 0 3 364.450 1.426 20 5 FDBDHN CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cn2)CC1 ZINC000376306326 787202680 /nfs/dbraw/zinc/20/26/80/787202680.db2.gz UAXJDYIFSWKQIZ-UHFFFAOYSA-N 0 3 372.385 1.692 20 5 FDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3nsc4ccccc43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778118 791981702 /nfs/dbraw/zinc/98/17/02/791981702.db2.gz RGTLWKLRHNYYQN-NMQNIBJMSA-N 0 3 358.423 1.508 20 5 FDBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000377725692 792650747 /nfs/dbraw/zinc/65/07/47/792650747.db2.gz RFQWZMMLBDROJD-KBPBESRZSA-N 0 3 365.434 1.980 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415717340 792866635 /nfs/dbraw/zinc/86/66/35/792866635.db2.gz YCEMBYYWANIMCR-KRWDZBQOSA-N 0 3 368.393 1.845 20 5 FDBDHN COc1cc(CCNC(=O)N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000416927424 794799417 /nfs/dbraw/zinc/79/94/17/794799417.db2.gz VTFUISBGYSZESB-NWDGAFQWSA-N 0 3 366.418 1.546 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CCC3(O)CCC3)C2)nc1 ZINC001167778756 803657871 /nfs/dbraw/zinc/65/78/71/803657871.db2.gz KCGGAHJLEAJTEC-HIFRSBDPSA-N 0 3 350.419 1.532 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000423703640 815219807 /nfs/dbraw/zinc/21/98/07/815219807.db2.gz CIQITAVTDBSCIS-INIZCTEOSA-N 0 3 374.441 1.718 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424000192 815289178 /nfs/dbraw/zinc/28/91/78/815289178.db2.gz NZRNQSIMOSOZQP-LLVKDONJSA-N 0 3 355.369 1.539 20 5 FDBDHN C[C@H]1CN(CCCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCO1 ZINC000432848215 809592384 /nfs/dbraw/zinc/59/23/84/809592384.db2.gz SLOMTUZNGAYPLH-ZDUSSCGKSA-N 0 3 361.402 2.558 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)[C@@H]2C1 ZINC000425064839 815512983 /nfs/dbraw/zinc/51/29/83/815512983.db2.gz IZJABRWONJWUFB-WMLDXEAASA-N 0 3 374.441 1.598 20 5 FDBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc21 ZINC000521230254 821150947 /nfs/dbraw/zinc/15/09/47/821150947.db2.gz IUWZYFAWBMLLDB-UHFFFAOYSA-N 0 3 373.369 1.655 20 5 FDBDHN NC(=O)c1cccc(NC[C@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000439093919 821363162 /nfs/dbraw/zinc/36/31/62/821363162.db2.gz AEWLWNISQIJRFN-HNNXBMFYSA-N 0 3 370.409 1.525 20 5 FDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O)(COCCO)CC1 ZINC000895830355 822762784 /nfs/dbraw/zinc/76/27/84/822762784.db2.gz VOLWDMOAMPMCEN-PTNGSMBKSA-N 0 3 350.415 1.834 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000896316732 824310915 /nfs/dbraw/zinc/31/09/15/824310915.db2.gz GJKJGEWWKHAOTB-XYPHTWIQSA-N 0 3 362.430 1.896 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000896432978 824399556 /nfs/dbraw/zinc/39/95/56/824399556.db2.gz UDJVZMSHBSAYPY-STQMWFEESA-N 0 3 353.444 1.978 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)C1CC1 ZINC000840880257 827706503 /nfs/dbraw/zinc/70/65/03/827706503.db2.gz CMZZQKBSCJFDMV-LLVKDONJSA-N 0 3 355.416 1.479 20 5 FDBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451503327 830376105 /nfs/dbraw/zinc/37/61/05/830376105.db2.gz ILIFOIGVRAZPGI-BNGAFQBXSA-N 0 3 365.386 1.911 20 5 FDBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCN(C2CC2)C1 ZINC000532582230 834632230 /nfs/dbraw/zinc/63/22/30/834632230.db2.gz XIJQEWLLGASALI-GFCCVEGCSA-N 0 3 362.386 1.431 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000476135770 839945046 /nfs/dbraw/zinc/94/50/46/839945046.db2.gz FAWCXABLDOPKLU-AWEZNQCLSA-N 0 3 366.418 1.513 20 5 FDBDHN CNC(=O)C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000483425976 849565384 /nfs/dbraw/zinc/56/53/84/849565384.db2.gz ZNFSHLIEYAZONJ-SJLPKXTDSA-N 0 3 373.409 1.802 20 5 FDBDHN CO[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547299 852007786 /nfs/dbraw/zinc/00/77/86/852007786.db2.gz WGALMTBTJOXWNY-AWEZNQCLSA-N 0 3 360.457 1.480 20 5 FDBDHN CNc1nc(C(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456063129 866656956 /nfs/dbraw/zinc/65/69/56/866656956.db2.gz IWSLIYIOHPOSGM-UHFFFAOYSA-N 0 3 364.450 1.177 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)C[C@@]13CCN(C1)CCC3)C2 ZINC000914299449 872232799 /nfs/dbraw/zinc/23/27/99/872232799.db2.gz TWCGLOQAIQNZDW-KRWDZBQOSA-N 0 3 365.455 1.769 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCOCC1 ZINC000914325778 872343051 /nfs/dbraw/zinc/34/30/51/872343051.db2.gz SHFTWGKTTURCJZ-KRWDZBQOSA-N 0 3 362.430 1.690 20 5 FDBDHN CN1C[C@@]2(C)CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918360450 884368712 /nfs/dbraw/zinc/36/87/12/884368712.db2.gz SAYPQRFDCOEWSH-IRXDYDNUSA-N 0 3 367.471 1.741 20 5 FDBDHN CC(C)Cc1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643031 884601958 /nfs/dbraw/zinc/60/19/58/884601958.db2.gz JGNMQFFUMSRZDC-AAVRWANBSA-N 0 3 365.434 1.450 20 5 FDBDHN O=C(N[C@H]1CC[C@H](NCc2nc(C3CCC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645797 884608097 /nfs/dbraw/zinc/60/80/97/884608097.db2.gz VOSNYRLCFHPFBU-AAVRWANBSA-N 0 3 363.418 1.519 20 5 FDBDHN CC(C)COc1cccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031663260 887005944 /nfs/dbraw/zinc/00/59/44/887005944.db2.gz VQJAKVPAMUVAPL-QZTJIDSGSA-N 0 3 361.442 1.935 20 5 FDBDHN CC(C)Cc1noc(CNC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000940107980 891820694 /nfs/dbraw/zinc/82/06/94/891820694.db2.gz UDMCILCOPDJBNT-CHWSQXEVSA-N 0 3 365.434 1.404 20 5 FDBDHN COC(=O)CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182123203 892103826 /nfs/dbraw/zinc/10/38/26/892103826.db2.gz UNGVGFLGHGGEIM-OAHLLOKOSA-N 0 3 365.430 1.933 20 5 FDBDHN CC1(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000273119572 911095885 /nfs/dbraw/zinc/09/58/85/911095885.db2.gz HFPMBHQVIYPGEC-OAHLLOKOSA-N 0 3 366.414 1.810 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000741718815 925829640 /nfs/dbraw/zinc/82/96/40/925829640.db2.gz FCEGTXFSFSOZOI-ZDUSSCGKSA-N 0 3 365.386 1.347 20 5 FDBDHN O=C(NC[C@H]1C[C@H](NCc2nnc(C3CC3)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363274 926830535 /nfs/dbraw/zinc/83/05/35/926830535.db2.gz LGIDTNAZQZPTAS-HJQYOEGKSA-N 0 3 351.432 1.065 20 5 FDBDHN CC(=O)Nc1cc(-n2nncc2CN)c([N+](=O)[O-])cc1Br ZINC001169311992 928412411 /nfs/dbraw/zinc/41/24/11/928412411.db2.gz WZPAVFGMRLQLFN-UHFFFAOYSA-N 0 3 355.152 1.355 20 5 FDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000785803612 931627067 /nfs/dbraw/zinc/62/70/67/931627067.db2.gz XRYLZNAYFBGFCZ-CHWSQXEVSA-N 0 3 366.374 1.579 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804557441 938468932 /nfs/dbraw/zinc/46/89/32/938468932.db2.gz FSPXGJONYUIRSB-CQSZACIVSA-N 0 3 352.822 1.991 20 5 FDBDHN Cc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001132907564 941146518 /nfs/dbraw/zinc/14/65/18/941146518.db2.gz QOEVZETXQQBWGT-UHFFFAOYSA-N 0 3 374.441 1.849 20 5 FDBDHN CC(COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)[N+](=O)[O-] ZINC000813103553 941326614 /nfs/dbraw/zinc/32/66/14/941326614.db2.gz QHSIVFRFKGZSCX-UVWXRNBGSA-N 0 3 355.391 1.332 20 5 FDBDHN CC(COC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813111608 941335124 /nfs/dbraw/zinc/33/51/24/941335124.db2.gz ISVYEXWOOUIYAS-LRDDRELGSA-N 0 3 354.334 1.946 20 5 FDBDHN Cc1ccc(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)C2)cc1C ZINC000747966705 941697229 /nfs/dbraw/zinc/69/72/29/941697229.db2.gz BZWPINFBAWMLSF-APWZRJJASA-N 0 3 373.457 1.980 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000817402477 942762995 /nfs/dbraw/zinc/76/29/95/942762995.db2.gz UOIPQHOQYJFAPK-NSHDSACASA-N 0 3 354.794 1.739 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Br)cc2F)c1 ZINC000819053388 943396796 /nfs/dbraw/zinc/39/67/96/943396796.db2.gz JFCIGCZHBAGJGJ-LBPRGKRZSA-N 0 3 373.182 1.844 20 5 FDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000820990145 944288874 /nfs/dbraw/zinc/28/88/74/944288874.db2.gz JVRSHXPXLZKNGG-ZDUSSCGKSA-N 0 3 353.444 1.893 20 5 FDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000856410398 971129210 /nfs/dbraw/zinc/12/92/10/971129210.db2.gz JABYEESDMAKMMM-AWEZNQCLSA-N 0 3 362.430 1.892 20 5 FDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000844762760 948371325 /nfs/dbraw/zinc/37/13/25/948371325.db2.gz ZYEDKNXQDPYDHD-OWBHPGMISA-N 0 3 360.414 1.231 20 5 FDBDHN CC([C@H](OC(=O)CCCN1C(=O)CNC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872716 950042263 /nfs/dbraw/zinc/04/22/63/950042263.db2.gz MRJRLBAEBXLCQY-BMIGLBTASA-N 0 3 367.333 1.407 20 5 FDBDHN CC([C@H](OC(=O)COCc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876361 950048826 /nfs/dbraw/zinc/04/88/26/950048826.db2.gz CPSKDEFEVPLABS-BMIGLBTASA-N 0 3 352.322 1.421 20 5 FDBDHN CC([C@@H](OC(=O)[C@@H]1CCN(C)S1(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881275 950058485 /nfs/dbraw/zinc/05/84/85/950058485.db2.gz LEHWVQBMJCVQMX-JIMOISOXSA-N 0 3 360.363 1.109 20 5 FDBDHN COc1cc(-n2cc(Br)ccc2=NCCN)ncc1[N+](=O)[O-] ZINC001160972721 952118852 /nfs/dbraw/zinc/11/88/52/952118852.db2.gz BOWMTHKYMUYCQS-UHFFFAOYSA-N 0 3 368.191 1.411 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CCSC)C(N)=O)c1F ZINC001173183722 961955436 /nfs/dbraw/zinc/95/54/36/961955436.db2.gz NHOCSKKBMYVXMY-KOLCDFICSA-N 0 3 359.423 1.870 20 5 FDBDHN CO[C@@H]1CC[C@@H](N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852184196 967067212 /nfs/dbraw/zinc/06/72/12/967067212.db2.gz IARSDEJWQZAFHR-ZIAGYGMSSA-N 0 3 357.432 1.372 20 5 FDBDHN Cc1nn(CN2CCC(C)(N3CCOCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000863314669 972790122 /nfs/dbraw/zinc/79/01/22/972790122.db2.gz UBFRNCPOYFHOBK-UHFFFAOYSA-N 0 3 374.445 1.792 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794644130 973475256 /nfs/dbraw/zinc/47/52/56/973475256.db2.gz YJBYHHBDYFGYQQ-GFCCVEGCSA-N 0 3 364.402 1.237 20 5 FDBDHN COc1cc(CN[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])cc1OC ZINC000865655997 974406593 /nfs/dbraw/zinc/40/65/93/974406593.db2.gz QMTSHNUOGFXHNM-ZDUSSCGKSA-N 0 3 353.419 1.547 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865792731 974492990 /nfs/dbraw/zinc/49/29/90/974492990.db2.gz WYVMRNIUUJHOFF-ZDUSSCGKSA-N 0 3 352.410 1.419 20 5 FDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811189 976913094 /nfs/dbraw/zinc/91/30/94/976913094.db2.gz ALWZZVHTZGZMRN-ZYHUDNBSSA-N 0 3 359.835 1.963 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858045819 981807041 /nfs/dbraw/zinc/80/70/41/981807041.db2.gz BJHPFNRDPPFXTQ-SJORKVTESA-N 0 3 373.413 1.578 20 5 FDBDHN COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000886911942 986733152 /nfs/dbraw/zinc/73/31/52/986733152.db2.gz GITPHUWRMLFWAS-ZBFHGGJFSA-N 0 3 363.414 1.515 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000872781485 988050789 /nfs/dbraw/zinc/05/07/89/988050789.db2.gz ULIAXLVPECCINS-HOTGVXAUSA-N 0 3 374.441 1.740 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000293929064 988261524 /nfs/dbraw/zinc/26/15/24/988261524.db2.gz PNZKAXZSRGMOLR-ZWKOTPCHSA-N 0 3 372.425 1.871 20 5 FDBDHN COc1cc(C(=O)N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000294605707 988493642 /nfs/dbraw/zinc/49/36/42/988493642.db2.gz MOPVSMUCPFLBDW-UHFFFAOYSA-N 0 3 368.409 1.452 20 5 FDBDHN O=c1[nH]c(NC2CCN([C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000367262963 988943674 /nfs/dbraw/zinc/94/36/74/988943674.db2.gz AATYJOMUMXKSDB-CYBMUJFWSA-N 0 3 359.386 1.909 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000363645628 989366540 /nfs/dbraw/zinc/36/65/40/989366540.db2.gz FXXUACSVHBGDQK-UHFFFAOYSA-N 0 3 366.374 1.687 20 5 FDBDHN O=C(CCN1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000364193430 989509351 /nfs/dbraw/zinc/50/93/51/989509351.db2.gz XTGKYWIYXXBDLZ-CQSZACIVSA-N 0 3 360.414 1.914 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000370424140 989733668 /nfs/dbraw/zinc/73/36/68/989733668.db2.gz LXQUSVDDOVCVBZ-GOSISDBHSA-N 0 3 360.458 1.764 20 5 FDBDHN C[C@H](N[C@H]1CCCN(c2ccncn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000370901281 990107400 /nfs/dbraw/zinc/10/74/00/990107400.db2.gz XAYFDNVJADZYHV-ZFWWWQNUSA-N 0 3 370.413 1.970 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnc(OC2CCN(C)CC2)c1 ZINC000371421819 990419324 /nfs/dbraw/zinc/41/93/24/990419324.db2.gz APFRVODNLQVUSL-UHFFFAOYSA-N 0 3 374.401 1.606 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000371500174 990480233 /nfs/dbraw/zinc/48/02/33/990480233.db2.gz LSLUDDAPCYKPQC-NEPJUHHUSA-N 0 3 371.340 1.789 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000876473839 992641488 /nfs/dbraw/zinc/64/14/88/992641488.db2.gz ZYHFBKQDMBSBCW-INIZCTEOSA-N 0 3 355.366 1.153 20 5 FDBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCCN1CCCCC1 ZINC000412324976 992908922 /nfs/dbraw/zinc/90/89/22/992908922.db2.gz WIUYCPHEBUPTOH-GFCCVEGCSA-N 0 3 366.393 1.454 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000877574001 993350157 /nfs/dbraw/zinc/35/01/57/993350157.db2.gz WSLHZDXWNKZFBN-INIZCTEOSA-N 0 3 360.458 1.998 20 5 FDBDHN C[C@@H]1CC2(CC(NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000926150971 995941384 /nfs/dbraw/zinc/94/13/84/995941384.db2.gz QDMTWILFSGQKJL-VEAWUBTESA-N 0 3 354.428 1.916 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](N2CCCC2=O)C1 ZINC000270839011 999623262 /nfs/dbraw/zinc/62/32/62/999623262.db2.gz DTDMZWDFLWPLEM-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000270908121 999632344 /nfs/dbraw/zinc/63/23/44/999632344.db2.gz PUGXHKWHAXQYKR-IUODEOHRSA-N 0 3 355.398 1.993 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCNC(=O)C(C)C ZINC000271249255 999679915 /nfs/dbraw/zinc/67/99/15/999679915.db2.gz RGXBBEXWLVNOBQ-UHFFFAOYSA-N 0 3 366.418 1.636 20 5 FDBDHN COC(=O)[C@]12CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000284882010 999877601 /nfs/dbraw/zinc/87/76/01/999877601.db2.gz TUWRHEITZHMPOP-RDTXWAMCSA-N 0 3 361.398 1.859 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1 ZINC000285020689 999894908 /nfs/dbraw/zinc/89/49/08/999894908.db2.gz OHJNTXHAILAUIH-CVEARBPZSA-N 0 3 363.414 1.604 20 5 FDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292263428 1000225324 /nfs/dbraw/zinc/22/53/24/1000225324.db2.gz ROGDGIMDASWNLS-RPVQJOFSSA-N 0 3 373.409 1.582 20 5 FDBDHN O=C(NCC1CCN(C(=O)c2cccc3c[nH]nc32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949226005 1003120248 /nfs/dbraw/zinc/12/02/48/1003120248.db2.gz BBOUIUUMILXTCZ-HUUCEWRRSA-N 0 3 371.397 1.197 20 5 FDBDHN COCCN1CCC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932149929 1004794753 /nfs/dbraw/zinc/79/47/53/1004794753.db2.gz NEXZDTOHNGGEFU-HNNXBMFYSA-N 0 3 353.394 1.894 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932202109 1004826096 /nfs/dbraw/zinc/82/60/96/1004826096.db2.gz UOUOWOUPYSSWAN-GXTWGEPZSA-N 0 3 351.432 1.563 20 5 FDBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)CCN(C)CC1 ZINC000933994822 1005675178 /nfs/dbraw/zinc/67/51/78/1005675178.db2.gz DCSRTAXALYDGJT-AWEZNQCLSA-N 0 3 374.445 1.885 20 5 FDBDHN CN(C(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000934265042 1005725399 /nfs/dbraw/zinc/72/53/99/1005725399.db2.gz QOEIXCXDRJLLPW-DLBZAZTESA-N 0 3 362.430 1.089 20 5 FDBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(C4CCOCC4)CC3)n2)cc1 ZINC000083114857 1011797473 /nfs/dbraw/zinc/79/74/73/1011797473.db2.gz BYRGNHHWBRNFMT-UHFFFAOYSA-N 0 3 372.429 1.607 20 5 FDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000953928626 1012904797 /nfs/dbraw/zinc/90/47/97/1012904797.db2.gz GMEYFNGBXFEHLZ-HUUCEWRRSA-N 0 3 371.397 1.291 20 5 FDBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000192805665 178133386 /nfs/dbraw/zinc/13/33/86/178133386.db2.gz IQUBWTDMASYZSP-CHWSQXEVSA-N 0 3 368.409 1.449 20 5 FDBDHN Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193278954 178155739 /nfs/dbraw/zinc/15/57/39/178155739.db2.gz ASMYWPOHJHCKCH-UHFFFAOYSA-N 0 3 358.402 1.650 20 5 FDBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000513441634 538995974 /nfs/dbraw/zinc/99/59/74/538995974.db2.gz DADXDVIJAKDTFQ-OAHLLOKOSA-N 0 3 358.398 1.810 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000264225505 179054305 /nfs/dbraw/zinc/05/43/05/179054305.db2.gz YVSSAXNRLGRKQC-UHFFFAOYSA-N 0 3 364.402 1.342 20 5 FDBDHN CCc1n[nH]c(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000264671394 179163009 /nfs/dbraw/zinc/16/30/09/179163009.db2.gz LSXMZJFDQPFWTM-UHFFFAOYSA-N 0 3 351.407 1.255 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCN1CCOCC1 ZINC000265201120 179311069 /nfs/dbraw/zinc/31/10/69/179311069.db2.gz JXEGYISIPWCHKY-UHFFFAOYSA-N 0 3 366.418 1.196 20 5 FDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267293308 179805271 /nfs/dbraw/zinc/80/52/71/179805271.db2.gz YOAFCPHSKCXFKA-UHFFFAOYSA-N 0 3 358.240 1.802 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268160465 180012578 /nfs/dbraw/zinc/01/25/78/180012578.db2.gz PBUGINWMJVWDKL-UHFFFAOYSA-N 0 3 367.377 1.739 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268255317 180037115 /nfs/dbraw/zinc/03/71/15/180037115.db2.gz XTKMYOQTBJRKDE-ZBEGNZNMSA-N 0 3 361.398 1.984 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269060288 180208273 /nfs/dbraw/zinc/20/82/73/180208273.db2.gz UKYNNRHERWJKOL-OAHLLOKOSA-N 0 3 358.402 1.365 20 5 FDBDHN CC(C)NC(=O)CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273970587 181005430 /nfs/dbraw/zinc/00/54/30/181005430.db2.gz GSGPBJBKUIAXBB-UHFFFAOYSA-N 0 3 374.445 1.898 20 5 FDBDHN CC(C)(C)[C@H](CCO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274129567 181030767 /nfs/dbraw/zinc/03/07/67/181030767.db2.gz BSVSVYXJXQSPFA-AWEZNQCLSA-N 0 3 353.375 1.649 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274433947 181093208 /nfs/dbraw/zinc/09/32/08/181093208.db2.gz BVMOTOQGKPDWIL-NSHDSACASA-N 0 3 356.373 1.629 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274587079 181127676 /nfs/dbraw/zinc/12/76/76/181127676.db2.gz MHBROCKHOQYCPO-GFCCVEGCSA-N 0 3 353.398 1.881 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000274651287 181138684 /nfs/dbraw/zinc/13/86/84/181138684.db2.gz WVDOXMZNERKOBI-LBPRGKRZSA-N 0 3 352.439 1.197 20 5 FDBDHN CCOC[C@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274844612 181175761 /nfs/dbraw/zinc/17/57/61/181175761.db2.gz PKCNEOOZYPQCRI-CQSZACIVSA-N 0 3 363.418 1.381 20 5 FDBDHN NC(=O)c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533640046 540274559 /nfs/dbraw/zinc/27/45/59/540274559.db2.gz IAOMQBACHCVWDY-HNNXBMFYSA-N 0 3 362.430 1.775 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000534222636 540336728 /nfs/dbraw/zinc/33/67/28/540336728.db2.gz BBYJTKHJUFHHJS-UHFFFAOYSA-N 0 3 374.397 1.869 20 5 FDBDHN COc1ccc(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000535729932 540500185 /nfs/dbraw/zinc/50/01/85/540500185.db2.gz YZZGRCUHCZFUMR-UKRRQHHQSA-N 0 3 353.444 1.650 20 5 FDBDHN Cc1n[nH]c(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000542013016 541319603 /nfs/dbraw/zinc/31/96/03/541319603.db2.gz CRLVLYQUPAMQEL-HNNXBMFYSA-N 0 3 373.413 1.513 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542076265 541331349 /nfs/dbraw/zinc/33/13/49/541331349.db2.gz PKGNFKNRLSQHGF-CMPLNLGQSA-N 0 3 350.375 1.141 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCN2CCN(C)CC2)c1 ZINC000543899471 541679670 /nfs/dbraw/zinc/67/96/70/541679670.db2.gz PPOACRCBWWRWSK-UHFFFAOYSA-N 0 3 350.419 1.455 20 5 FDBDHN C[N@@H+]1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000282422193 182008485 /nfs/dbraw/zinc/00/84/85/182008485.db2.gz FOQRGJVLYYJYNW-UHFFFAOYSA-N 0 3 374.438 1.038 20 5 FDBDHN C[N@H+]1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000282422193 182008486 /nfs/dbraw/zinc/00/84/86/182008486.db2.gz FOQRGJVLYYJYNW-UHFFFAOYSA-N 0 3 374.438 1.038 20 5 FDBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282682427 182042468 /nfs/dbraw/zinc/04/24/68/182042468.db2.gz ZXCVTUFMZVLBSR-UHFFFAOYSA-N 0 3 370.381 1.017 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000545156696 541885340 /nfs/dbraw/zinc/88/53/40/541885340.db2.gz AFACXJYRHSYPHO-CYBMUJFWSA-N 0 3 358.192 1.154 20 5 FDBDHN CCN1CCC(NC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000282790686 182057005 /nfs/dbraw/zinc/05/70/05/182057005.db2.gz NFLKNZHZHWPCPY-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN CN(C)CCOc1ccc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000545585204 542001685 /nfs/dbraw/zinc/00/16/85/542001685.db2.gz JRONMYPQBBRYRE-UHFFFAOYSA-N 0 3 358.358 1.986 20 5 FDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286550594 183094796 /nfs/dbraw/zinc/09/47/96/183094796.db2.gz CQNVHJKNETVNLT-UKRRQHHQSA-N 0 3 353.444 1.983 20 5 FDBDHN C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295462543 184074203 /nfs/dbraw/zinc/07/42/03/184074203.db2.gz XPKPGSLTIRXJRY-ZDUSSCGKSA-N 0 3 360.414 1.267 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000296137129 184133619 /nfs/dbraw/zinc/13/36/19/184133619.db2.gz WPLIYMUVZRIYOJ-UHFFFAOYSA-N 0 3 364.377 1.724 20 5 FDBDHN C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN(C2CC2)C1 ZINC000296526786 184175075 /nfs/dbraw/zinc/17/50/75/184175075.db2.gz CQMHLWOGHZFJLD-CQSZACIVSA-N 0 3 358.442 1.900 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296865465 184208909 /nfs/dbraw/zinc/20/89/09/184208909.db2.gz JSGJEAXNQKHTTC-NWDGAFQWSA-N 0 3 366.393 1.922 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000297325103 184258063 /nfs/dbraw/zinc/25/80/63/184258063.db2.gz JBGHZEYVCKIUAV-RISCZKNCSA-N 0 3 366.393 1.826 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297516900 184280899 /nfs/dbraw/zinc/28/08/99/184280899.db2.gz RRIRCDYWSFSGNT-UHFFFAOYSA-N 0 3 374.445 1.448 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297457984 184274113 /nfs/dbraw/zinc/27/41/13/184274113.db2.gz QQRPICINLOQXTI-UHFFFAOYSA-N 0 3 374.401 1.648 20 5 FDBDHN COCCN(CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297884283 184349374 /nfs/dbraw/zinc/34/93/74/184349374.db2.gz NPOSIOJIZLGLTN-UHFFFAOYSA-N 0 3 355.391 1.527 20 5 FDBDHN Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068220362 172016775 /nfs/dbraw/zinc/01/67/75/172016775.db2.gz YOXGHILPJGAUHT-NSHDSACASA-N 0 3 358.402 1.696 20 5 FDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000081171458 172184171 /nfs/dbraw/zinc/18/41/71/172184171.db2.gz HMVUNNUZYTXJNK-CMPLNLGQSA-N 0 3 366.805 1.882 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083027291 172201598 /nfs/dbraw/zinc/20/15/98/172201598.db2.gz OBYKSEIHCCCAAW-GJZGRUSLSA-N 0 3 365.430 1.979 20 5 FDBDHN Cc1nn(CCC(=O)N(CCN(C)C)Cc2ccco2)c(C)c1[N+](=O)[O-] ZINC000088229837 172230285 /nfs/dbraw/zinc/23/02/85/172230285.db2.gz SBZRUFMAZYZECR-UHFFFAOYSA-N 0 3 363.418 1.982 20 5 FDBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522648 172265995 /nfs/dbraw/zinc/26/59/95/172265995.db2.gz FJTAWAFMQUBSJG-HUUCEWRRSA-N 0 3 364.446 1.773 20 5 FDBDHN Cc1c(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000133264523 173259810 /nfs/dbraw/zinc/25/98/10/173259810.db2.gz IAANOKXDNUQNKR-QGZVFWFLSA-N 0 3 374.441 1.211 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150811077 173382448 /nfs/dbraw/zinc/38/24/48/173382448.db2.gz HUIPQDJRFFCYQX-LBPRGKRZSA-N 0 3 369.443 1.899 20 5 FDBDHN Cc1ccc([C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000150906535 173385187 /nfs/dbraw/zinc/38/51/87/173385187.db2.gz USHCCMBLPKWWRK-INIZCTEOSA-N 0 3 360.418 1.702 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170868280 173844949 /nfs/dbraw/zinc/84/49/49/173844949.db2.gz VQMORNLJLRBFED-RDJZCZTQSA-N 0 3 374.441 1.670 20 5 FDBDHN CCN1CCN([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000175582967 174013656 /nfs/dbraw/zinc/01/36/56/174013656.db2.gz SUCJKHVCNZAFHK-OAHLLOKOSA-N 0 3 359.430 1.948 20 5 FDBDHN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000174104450 258319051 /nfs/dbraw/zinc/31/90/51/258319051.db2.gz SGHIIEJDZVYRNX-CABCVRRESA-N 0 3 363.462 1.839 20 5 FDBDHN CC[C@@H](CO)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000174139288 258319673 /nfs/dbraw/zinc/31/96/73/258319673.db2.gz HQTXABZHEKCQPR-AWEZNQCLSA-N 0 3 353.419 1.371 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199157935 258395089 /nfs/dbraw/zinc/39/50/89/258395089.db2.gz BJIHXWGPWACEHU-SFHVURJKSA-N 0 3 354.410 1.813 20 5 FDBDHN CS(=O)(=O)c1ccc(N2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000265798887 258418021 /nfs/dbraw/zinc/41/80/21/258418021.db2.gz JGWIJKHVVHHUGU-CYBMUJFWSA-N 0 3 353.444 1.920 20 5 FDBDHN O=C(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000554453820 543802638 /nfs/dbraw/zinc/80/26/38/543802638.db2.gz FPTFAHJHNRRDBO-UHFFFAOYSA-N 0 3 366.393 1.456 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000556851090 544214375 /nfs/dbraw/zinc/21/43/75/544214375.db2.gz MKAMIEWELFKUOF-MRXNPFEDSA-N 0 3 351.428 1.503 20 5 FDBDHN N[C@@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000557297255 544275282 /nfs/dbraw/zinc/27/52/82/544275282.db2.gz CJJQPNULXHBXIO-INIZCTEOSA-N 0 3 368.393 1.296 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000558732136 544519779 /nfs/dbraw/zinc/51/97/79/544519779.db2.gz QDYLXEKHAJXRAR-HOCLYGCPSA-N 0 3 373.413 1.383 20 5 FDBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000299515417 259003161 /nfs/dbraw/zinc/00/31/61/259003161.db2.gz KLAOOEZYGMYPDV-OAHLLOKOSA-N 0 3 370.413 1.876 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000299534764 259004574 /nfs/dbraw/zinc/00/45/74/259004574.db2.gz HOIGWRUSLNRJFX-UHFFFAOYSA-N 0 3 369.425 1.932 20 5 FDBDHN Cc1nn(C)c(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301271501 259024762 /nfs/dbraw/zinc/02/47/62/259024762.db2.gz JVAXBNXRXNCOGU-CHWSQXEVSA-N 0 3 351.451 1.962 20 5 FDBDHN CC1CCN(C[C@H](O)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301520124 259029393 /nfs/dbraw/zinc/02/93/93/259029393.db2.gz FIIZKDBLIAETNR-GFCCVEGCSA-N 0 3 361.402 1.748 20 5 FDBDHN COC(=O)c1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000302523777 259043081 /nfs/dbraw/zinc/04/30/81/259043081.db2.gz YWFAGUWVRRTVIE-CYBMUJFWSA-N 0 3 365.430 1.971 20 5 FDBDHN COC(=O)c1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000302523779 259043531 /nfs/dbraw/zinc/04/35/31/259043531.db2.gz YWFAGUWVRRTVIE-ZDUSSCGKSA-N 0 3 365.430 1.971 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)C[C@@H](C)O1 ZINC000330420557 259143711 /nfs/dbraw/zinc/14/37/11/259143711.db2.gz GNIPQZHTZARHFB-ZIAGYGMSSA-N 0 3 364.446 1.895 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)C[C@H](C)O1 ZINC000330420556 259144045 /nfs/dbraw/zinc/14/40/45/259144045.db2.gz GNIPQZHTZARHFB-OKILXGFUSA-N 0 3 364.446 1.895 20 5 FDBDHN CCN1CCC(N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000331158661 259179270 /nfs/dbraw/zinc/17/92/70/259179270.db2.gz FHKYIVQYVHTKCN-UHFFFAOYSA-N 0 3 355.460 1.883 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000332137326 259244746 /nfs/dbraw/zinc/24/47/46/259244746.db2.gz KXMPNCGFHHLDCT-XBFCOCLRSA-N 0 3 364.450 1.522 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000332477192 259269239 /nfs/dbraw/zinc/26/92/39/259269239.db2.gz OFYCTIIUCNUUQY-KBPBESRZSA-N 0 3 362.434 1.304 20 5 FDBDHN N[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364179551 259725227 /nfs/dbraw/zinc/72/52/27/259725227.db2.gz GXYKIMLYGXOFMD-HOTGVXAUSA-N 0 3 365.386 1.849 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000368299306 260163417 /nfs/dbraw/zinc/16/34/17/260163417.db2.gz NJLZBGCJHYYGHN-MRXNPFEDSA-N 0 3 364.358 1.822 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000368634599 260213116 /nfs/dbraw/zinc/21/31/16/260213116.db2.gz PTYFKSIJPKSZHP-GFCCVEGCSA-N 0 3 359.835 1.977 20 5 FDBDHN COc1cc(C(=O)N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000369008485 260275989 /nfs/dbraw/zinc/27/59/89/260275989.db2.gz FWMTZJJANPXBAN-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000369275755 260329571 /nfs/dbraw/zinc/32/95/71/260329571.db2.gz CSAHLDKYRWVQGI-ZDUSSCGKSA-N 0 3 362.430 1.502 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369412954 260362060 /nfs/dbraw/zinc/36/20/60/260362060.db2.gz INQUDTFOFPYNAF-UHFFFAOYSA-N 0 3 368.865 1.887 20 5 FDBDHN O=C(NC1CC1)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373676517 261029994 /nfs/dbraw/zinc/02/99/94/261029994.db2.gz WNWVMNOZUCPAAZ-GJZGRUSLSA-N 0 3 360.414 1.762 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000373881544 261049358 /nfs/dbraw/zinc/04/93/58/261049358.db2.gz KZHWRKSINDDFMW-HNNXBMFYSA-N 0 3 360.414 1.458 20 5 FDBDHN CN1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC000373908833 261051876 /nfs/dbraw/zinc/05/18/76/261051876.db2.gz DLNJYDRUJVBTFV-INIZCTEOSA-N 0 3 363.418 1.715 20 5 FDBDHN O=C(NC1CC1)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000374596990 261160054 /nfs/dbraw/zinc/16/00/54/261160054.db2.gz SSTMZXRZLYMIDD-OAHLLOKOSA-N 0 3 363.414 1.325 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000375036956 261253008 /nfs/dbraw/zinc/25/30/08/261253008.db2.gz ILVGRBYPVZFXAK-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CN1CC[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375038275 261254517 /nfs/dbraw/zinc/25/45/17/261254517.db2.gz LAEZLGAPOPSMJM-HOCLYGCPSA-N 0 3 353.444 1.493 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@@H]21 ZINC000375060175 261259249 /nfs/dbraw/zinc/25/92/49/261259249.db2.gz LGJUKOGTZKKBNF-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375310136 261310046 /nfs/dbraw/zinc/31/00/46/261310046.db2.gz QZTUVBVHBQHJAF-LLVKDONJSA-N 0 3 373.406 1.601 20 5 FDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375339456 261316897 /nfs/dbraw/zinc/31/68/97/261316897.db2.gz ZROWUUJEKICQLM-LRDDRELGSA-N 0 3 366.805 1.834 20 5 FDBDHN Cc1c(F)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408310857 262092783 /nfs/dbraw/zinc/09/27/83/262092783.db2.gz UZIIACILXZAQAM-UONOGXRCSA-N 0 3 357.407 1.947 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000408465501 262111873 /nfs/dbraw/zinc/11/18/73/262111873.db2.gz KLCALFNISOURGI-QAPCUYQASA-N 0 3 358.442 1.974 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000409714035 262135471 /nfs/dbraw/zinc/13/54/71/262135471.db2.gz FQMPVZKYHWZRDZ-CQSZACIVSA-N 0 3 351.403 1.426 20 5 FDBDHN COc1ccc(OCCN2CCC(CCC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000270997235 674296430 /nfs/dbraw/zinc/29/64/30/674296430.db2.gz CAXFJNQYJFFEKH-UHFFFAOYSA-N 0 3 351.403 1.960 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000041662958 519663786 /nfs/dbraw/zinc/66/37/86/519663786.db2.gz IKVIAGITPZDKRJ-LBPRGKRZSA-N 0 3 364.402 1.533 20 5 FDBDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000041860043 519669686 /nfs/dbraw/zinc/66/96/86/519669686.db2.gz XYJACZXMHXJMCD-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069500268 521892168 /nfs/dbraw/zinc/89/21/68/521892168.db2.gz HVXWOSHVMSHYGR-AWEZNQCLSA-N 0 3 351.403 1.373 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000069502456 521895117 /nfs/dbraw/zinc/89/51/17/521895117.db2.gz UXHLGHUIOLAUOA-INIZCTEOSA-N 0 3 360.414 1.777 20 5 FDBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H](C)N(C)C ZINC000056969309 521953111 /nfs/dbraw/zinc/95/31/11/521953111.db2.gz DUVMCFPZCYLAGC-WDEREUQCSA-N 0 3 372.447 1.106 20 5 FDBDHN O=C([C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000046054863 522215600 /nfs/dbraw/zinc/21/56/00/522215600.db2.gz WJIAHUUTVKOYPD-OAHLLOKOSA-N 0 3 363.414 1.544 20 5 FDBDHN COc1cc(OCC(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000061634814 522480801 /nfs/dbraw/zinc/48/08/01/522480801.db2.gz TXVJBBDFWHEXSG-UHFFFAOYSA-N 0 3 363.374 1.379 20 5 FDBDHN CC[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000048321560 522714413 /nfs/dbraw/zinc/71/44/13/522714413.db2.gz CNCDTSFMZHIGDB-HNNXBMFYSA-N 0 3 358.402 1.139 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000065931488 522921192 /nfs/dbraw/zinc/92/11/92/522921192.db2.gz XYWLYTTZTYIDTK-UHFFFAOYSA-N 0 3 363.393 1.829 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067137345 523332094 /nfs/dbraw/zinc/33/20/94/523332094.db2.gz OHMOHOYWWWDAOI-CYBMUJFWSA-N 0 3 358.402 1.637 20 5 FDBDHN Cc1ccccc1CN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000053968534 523545184 /nfs/dbraw/zinc/54/51/84/523545184.db2.gz XEYWEXPYYSQVOC-UHFFFAOYSA-N 0 3 357.414 1.881 20 5 FDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000110998257 524185648 /nfs/dbraw/zinc/18/56/48/524185648.db2.gz PMTIYKIXYMCTNY-AWEZNQCLSA-N 0 3 358.402 1.780 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCNC(=O)C(C)C ZINC000157590909 524302352 /nfs/dbraw/zinc/30/23/52/524302352.db2.gz YKEQNCDJQZJWAO-UHFFFAOYSA-N 0 3 350.419 1.936 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCCC2)C1 ZINC000111597132 524307333 /nfs/dbraw/zinc/30/73/33/524307333.db2.gz DYBMFMAPRDWNTP-CYBMUJFWSA-N 0 3 356.382 1.747 20 5 FDBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000150875593 524499527 /nfs/dbraw/zinc/49/95/27/524499527.db2.gz XYDVVDATYZTCIZ-CYBMUJFWSA-N 0 3 359.448 1.538 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000112916734 524590405 /nfs/dbraw/zinc/59/04/05/524590405.db2.gz OSBPKEZVYPXCAX-HNNXBMFYSA-N 0 3 364.446 1.506 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000112916735 524592526 /nfs/dbraw/zinc/59/25/26/524592526.db2.gz OSBPKEZVYPXCAX-OAHLLOKOSA-N 0 3 364.446 1.506 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000151657444 524646006 /nfs/dbraw/zinc/64/60/06/524646006.db2.gz JKRHZYDRBAUTIO-HOCLYGCPSA-N 0 3 372.429 1.754 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000174710446 524698182 /nfs/dbraw/zinc/69/81/82/524698182.db2.gz ZSVNXEJWKPSDHQ-SFHVURJKSA-N 0 3 359.430 1.360 20 5 FDBDHN CCc1nn(C)c(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000091744788 524771835 /nfs/dbraw/zinc/77/18/35/524771835.db2.gz VEXBAHAOJVNHQB-AWEZNQCLSA-N 0 3 351.451 1.972 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000175081100 524864454 /nfs/dbraw/zinc/86/44/54/524864454.db2.gz SCTZOYKSURGBDQ-RYUDHWBXSA-N 0 3 357.432 1.755 20 5 FDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160654361 524939278 /nfs/dbraw/zinc/93/92/78/524939278.db2.gz CGDBXRXYTHOZMT-ZDUSSCGKSA-N 0 3 367.471 1.896 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115444028 524998335 /nfs/dbraw/zinc/99/83/35/524998335.db2.gz BYCFXJQCSYLPEI-ZIAGYGMSSA-N 0 3 362.430 1.513 20 5 FDBDHN CCOc1ccc([C@@H](C)NC2CCN(CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000152858112 525028402 /nfs/dbraw/zinc/02/84/02/525028402.db2.gz LOOIHGJZZQMEDO-CYBMUJFWSA-N 0 3 364.446 1.855 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000152901373 525043177 /nfs/dbraw/zinc/04/31/77/525043177.db2.gz ZXDPVPPYSQAIMP-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000152935684 525054293 /nfs/dbraw/zinc/05/42/93/525054293.db2.gz YZXCHXDBORJLCA-UHFFFAOYSA-N 0 3 373.457 1.762 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cn1 ZINC000126428798 525311206 /nfs/dbraw/zinc/31/12/06/525311206.db2.gz MZJHYUHOJLYLJJ-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN COc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000104755587 525430785 /nfs/dbraw/zinc/43/07/85/525430785.db2.gz KFAWYXZRHFPOHN-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c2cnccc21 ZINC000164360797 525498192 /nfs/dbraw/zinc/49/81/92/525498192.db2.gz KUNVXICKVVMJIK-UHFFFAOYSA-N 0 3 362.411 1.819 20 5 FDBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000105328779 525500422 /nfs/dbraw/zinc/50/04/22/525500422.db2.gz OGBGHSNJGBBFNS-WBVHZDCISA-N 0 3 374.441 1.544 20 5 FDBDHN COCCCN1CCC(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000171137706 525867968 /nfs/dbraw/zinc/86/79/68/525867968.db2.gz FHRNVDFFIFZZNV-UHFFFAOYSA-N 0 3 367.450 1.415 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC(C)(C)O)CC1 ZINC000171155670 525874427 /nfs/dbraw/zinc/87/44/27/525874427.db2.gz SAPYDPPSKBENMX-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN Cc1cn2c(n1)CC[C@H](N[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147081 526082149 /nfs/dbraw/zinc/08/21/49/526082149.db2.gz SNMFXWMUVGWMBD-XJKSGUPXSA-N 0 3 355.398 1.810 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000109313137 526106960 /nfs/dbraw/zinc/10/69/60/526106960.db2.gz IHGKCTZPSBQDNR-OAHLLOKOSA-N 0 3 373.417 1.094 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182766081 535859198 /nfs/dbraw/zinc/85/91/98/535859198.db2.gz YAEXFMPRMSFLLQ-NSHDSACASA-N 0 3 354.794 1.787 20 5 FDBDHN COC[C@@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000183474163 535987478 /nfs/dbraw/zinc/98/74/78/535987478.db2.gz DKPIHFYDYGMPGK-QGZVFWFLSA-N 0 3 362.430 1.258 20 5 FDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000183933009 536068505 /nfs/dbraw/zinc/06/85/05/536068505.db2.gz RRRIIFOSCPWXGY-UHFFFAOYSA-N 0 3 354.363 1.164 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000184270556 536124771 /nfs/dbraw/zinc/12/47/71/536124771.db2.gz RXENAFCJSOOFAV-UHFFFAOYSA-N 0 3 358.402 1.572 20 5 FDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000186338073 536232616 /nfs/dbraw/zinc/23/26/16/536232616.db2.gz JSRNFFUWPUOSBH-XYGUXCPDSA-N 0 3 360.458 1.998 20 5 FDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186370471 536233305 /nfs/dbraw/zinc/23/33/05/536233305.db2.gz WVHTWWXZUGMPPQ-SNVBAGLBSA-N 0 3 363.411 1.751 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000186791113 536244322 /nfs/dbraw/zinc/24/43/22/536244322.db2.gz JOECDFATDOURAE-CYBMUJFWSA-N 0 3 365.434 1.751 20 5 FDBDHN CNC(=O)c1ccc(NC2CCN(CCCOC)CC2)c([N+](=O)[O-])c1 ZINC000263813542 537107341 /nfs/dbraw/zinc/10/73/41/537107341.db2.gz VGJAYTNTVOIWQV-UHFFFAOYSA-N 0 3 350.419 1.867 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000248713585 537208361 /nfs/dbraw/zinc/20/83/61/537208361.db2.gz BPOXSOPQUCAVPV-RHSMWYFYSA-N 0 3 372.429 1.611 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000191874739 537213859 /nfs/dbraw/zinc/21/38/59/537213859.db2.gz BFZBQNHKERGQSC-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192230241 537222387 /nfs/dbraw/zinc/22/23/87/537222387.db2.gz BAECEADHRGZWEV-HNNXBMFYSA-N 0 3 373.413 1.349 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3ncccc3F)CC2)c1 ZINC000278401485 537314860 /nfs/dbraw/zinc/31/48/60/537314860.db2.gz WKTVTAQZOSEZQA-ZDUSSCGKSA-N 0 3 365.365 1.230 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000272807748 537344330 /nfs/dbraw/zinc/34/43/30/537344330.db2.gz BKIDUHHPKAIPKJ-JTQLQIEISA-N 0 3 350.375 1.141 20 5 FDBDHN CC(C)S(=O)(=O)CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290543279 537369088 /nfs/dbraw/zinc/36/90/88/537369088.db2.gz ZZIQBPVRDQHDBR-LBPRGKRZSA-N 0 3 357.432 1.725 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273088999 537396456 /nfs/dbraw/zinc/39/64/56/537396456.db2.gz JDTVAJQAQYVTFD-ZDUSSCGKSA-N 0 3 355.192 1.877 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000273393565 537447296 /nfs/dbraw/zinc/44/72/96/537447296.db2.gz FDKONWRMRYKRRA-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272003548 537516062 /nfs/dbraw/zinc/51/60/62/537516062.db2.gz IHTLLEIDQTZTHX-XJKSGUPXSA-N 0 3 374.441 1.644 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365583348 537554004 /nfs/dbraw/zinc/55/40/04/537554004.db2.gz XZQKICHBMMBTQV-IAGOWNOFSA-N 0 3 371.397 1.374 20 5 FDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236899140 537602901 /nfs/dbraw/zinc/60/29/01/537602901.db2.gz BRDLZYMMIDNFFP-MFKMUULPSA-N 0 3 354.432 1.314 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCNCc1cccnc1 ZINC000237533777 537631992 /nfs/dbraw/zinc/63/19/92/537631992.db2.gz WVXXHPQMRZLEJL-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCNCC1 ZINC000237698112 537637091 /nfs/dbraw/zinc/63/70/91/537637091.db2.gz KWDILWHVLUBREW-UHFFFAOYSA-N 0 3 354.215 1.886 20 5 FDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH2+]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000237741133 537638899 /nfs/dbraw/zinc/63/88/99/537638899.db2.gz UMOPCVXKIBTCTE-UHFFFAOYSA-N 0 3 364.427 1.756 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000294011931 537640756 /nfs/dbraw/zinc/64/07/56/537640756.db2.gz YFIUQQPRBAYCJN-QGZVFWFLSA-N 0 3 350.394 1.968 20 5 FDBDHN CN(C)S(=O)(=O)CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290097678 537670640 /nfs/dbraw/zinc/67/06/40/537670640.db2.gz HUONMOBKTXTKPY-ZFWWWQNUSA-N 0 3 355.460 1.787 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291932013 537691894 /nfs/dbraw/zinc/69/18/94/537691894.db2.gz SWDVWTHXYVGVIG-RBUKOAKNSA-N 0 3 374.441 1.469 20 5 FDBDHN CCN1CCC[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298189410 537716835 /nfs/dbraw/zinc/71/68/35/537716835.db2.gz NJLMOVBOOYWXED-LBPRGKRZSA-N 0 3 366.443 1.386 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292457358 537737923 /nfs/dbraw/zinc/73/79/23/537737923.db2.gz ZRBHQRCQTWGLFE-HNNXBMFYSA-N 0 3 354.432 1.035 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)C1 ZINC000292529815 537743258 /nfs/dbraw/zinc/74/32/58/537743258.db2.gz KEHSWVYDQQXWFA-LJQANCHMSA-N 0 3 374.441 1.599 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)CN1CCO ZINC000416310512 537801721 /nfs/dbraw/zinc/80/17/21/537801721.db2.gz NYKAMPWMPXRBHU-CHWSQXEVSA-N 0 3 373.413 1.512 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@@H]2CCOC2)CC1 ZINC000372115739 537871455 /nfs/dbraw/zinc/87/14/55/537871455.db2.gz JIRICIFKTHOYJD-MRXNPFEDSA-N 0 3 362.430 1.638 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN(CCc2ccccc2)CC1 ZINC000409801589 537875108 /nfs/dbraw/zinc/87/51/08/537875108.db2.gz PKYASFOLRSAHLM-UHFFFAOYSA-N 0 3 358.402 1.010 20 5 FDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000444135444 538120380 /nfs/dbraw/zinc/12/03/80/538120380.db2.gz CIHHUBBKYWODOV-PBHICJAKSA-N 0 3 350.419 1.655 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444234363 538134128 /nfs/dbraw/zinc/13/41/28/538134128.db2.gz DGCUNGDPVNYBKH-FQEVSTJZSA-N 0 3 371.412 1.863 20 5 FDBDHN CN(C)CCOCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444288996 538144504 /nfs/dbraw/zinc/14/45/04/538144504.db2.gz MIALRJATPNCBCF-UHFFFAOYSA-N 0 3 353.422 1.989 20 5 FDBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000419998321 538182690 /nfs/dbraw/zinc/18/26/90/538182690.db2.gz MTSYYAJAAIAZJZ-QGZVFWFLSA-N 0 3 351.403 1.377 20 5 FDBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2[N+](=O)[O-])C1 ZINC000423996857 538207578 /nfs/dbraw/zinc/20/75/78/538207578.db2.gz XNGCRCDEMNAJFG-ZFWWWQNUSA-N 0 3 362.430 1.549 20 5 FDBDHN CN(C)CCOCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445134640 538230313 /nfs/dbraw/zinc/23/03/13/538230313.db2.gz MAYMFASBYGBVBJ-UHFFFAOYSA-N 0 3 353.422 1.989 20 5 FDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440851870 538287791 /nfs/dbraw/zinc/28/77/91/538287791.db2.gz WOIZXDQCQZHZFN-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000420425180 538291586 /nfs/dbraw/zinc/29/15/86/538291586.db2.gz UDYFETQPASTUGV-VIFPVBQESA-N 0 3 353.322 1.644 20 5 FDBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000449530077 538424818 /nfs/dbraw/zinc/42/48/18/538424818.db2.gz BXUBGXYIFBLDRW-GASCZTMLSA-N 0 3 373.457 1.882 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000457135099 538475974 /nfs/dbraw/zinc/47/59/74/538475974.db2.gz VYMAUEQUVWMGHW-AWEZNQCLSA-N 0 3 363.414 1.850 20 5 FDBDHN NC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000479187998 538790322 /nfs/dbraw/zinc/79/03/22/538790322.db2.gz CIHLJYLGIGMVRJ-GOEBONIOSA-N 0 3 373.388 1.884 20 5 FDBDHN COC(=O)COc1ccc(CNCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000474344373 538834358 /nfs/dbraw/zinc/83/43/58/538834358.db2.gz JEWACMXHWBCRSZ-AWEZNQCLSA-N 0 3 365.430 1.968 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000498487962 538835266 /nfs/dbraw/zinc/83/52/66/538835266.db2.gz GXFLPEJEJKCOSO-RTXFEEFZSA-N 0 3 364.402 1.435 20 5 FDBDHN C[C@H]1OCC[C@]1(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000562503574 546160318 /nfs/dbraw/zinc/16/03/18/546160318.db2.gz RRXUQRRQABESIW-QAPCUYQASA-N 0 3 360.414 1.833 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000564017698 546775987 /nfs/dbraw/zinc/77/59/87/546775987.db2.gz QHOLMGSTENOGFV-DOMZBBRYSA-N 0 3 362.430 1.461 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000564050606 546786889 /nfs/dbraw/zinc/78/68/89/546786889.db2.gz NVLWDKSDSFMFGU-HIFRSBDPSA-N 0 3 350.467 1.582 20 5 FDBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000565221693 547260952 /nfs/dbraw/zinc/26/09/52/547260952.db2.gz KVWSOFAAUWVZMY-UHFFFAOYSA-N 0 3 351.451 2.217 20 5 FDBDHN CCc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000566066014 547585930 /nfs/dbraw/zinc/58/59/30/547585930.db2.gz WIRXEZBMUPLWRT-INIZCTEOSA-N 0 3 353.444 1.874 20 5 FDBDHN CNc1nccc(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000566437155 547756336 /nfs/dbraw/zinc/75/63/36/547756336.db2.gz LHOQCGKZNSFHDU-UHFFFAOYSA-N 0 3 365.434 1.651 20 5 FDBDHN NC(=O)[C@H]1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568741388 548660145 /nfs/dbraw/zinc/66/01/45/548660145.db2.gz SMSPSHOSDURULK-JOCQHMNTSA-N 0 3 369.443 1.250 20 5 FDBDHN NCc1cn([C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000569119984 548804780 /nfs/dbraw/zinc/80/47/80/548804780.db2.gz WHHLXBALYQXBEH-MRXNPFEDSA-N 0 3 358.402 1.441 20 5 FDBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000569593426 548974238 /nfs/dbraw/zinc/97/42/38/548974238.db2.gz KYMTYLLJYMEBPI-UHFFFAOYSA-N 0 3 361.324 1.853 20 5 FDBDHN C[C@H]1[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570526556 549311828 /nfs/dbraw/zinc/31/18/28/549311828.db2.gz ALHVTYCRORLQBL-SWLSCSKDSA-N 0 3 355.398 1.965 20 5 FDBDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000571120290 549532687 /nfs/dbraw/zinc/53/26/87/549532687.db2.gz GZSOMERJOSVWDX-MRXNPFEDSA-N 0 3 373.409 1.826 20 5 FDBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571494780 549664372 /nfs/dbraw/zinc/66/43/72/549664372.db2.gz DNYOGJFNMFMZKC-AEFFLSMTSA-N 0 3 358.442 1.691 20 5 FDBDHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000572973332 550035789 /nfs/dbraw/zinc/03/57/89/550035789.db2.gz UUFQQEODGJSMPI-GFCCVEGCSA-N 0 3 366.443 1.283 20 5 FDBDHN O=C1CN(CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000573137574 550073214 /nfs/dbraw/zinc/07/32/14/550073214.db2.gz RFJHRYCMOIAOER-UHFFFAOYSA-N 0 3 358.398 1.766 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H]1O ZINC000573742753 550203694 /nfs/dbraw/zinc/20/36/94/550203694.db2.gz ZUECNVIFJXQQEO-GJZGRUSLSA-N 0 3 356.382 1.404 20 5 FDBDHN O=C(CNC(=O)Cc1cccc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000574346418 550299340 /nfs/dbraw/zinc/29/93/40/550299340.db2.gz KXQMYKKJBRZYOA-UHFFFAOYSA-N 0 3 362.430 1.246 20 5 FDBDHN CS(=O)(=O)CC1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000575982154 550498059 /nfs/dbraw/zinc/49/80/59/550498059.db2.gz IJGNQWQWHVYZQJ-CYBMUJFWSA-N 0 3 372.443 1.139 20 5 FDBDHN CN(C)CCN(Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000578545014 550775525 /nfs/dbraw/zinc/77/55/25/550775525.db2.gz BTHYFNZRZDHBCF-UHFFFAOYSA-N 0 3 357.414 1.653 20 5 FDBDHN CCNC(=O)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578759615 550798807 /nfs/dbraw/zinc/79/88/07/550798807.db2.gz AEVOYHDFWXKJIB-UHFFFAOYSA-N 0 3 357.432 1.120 20 5 FDBDHN N[C@@H]1C[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217304 550956304 /nfs/dbraw/zinc/95/63/04/550956304.db2.gz ZWJZLUZSGJINQY-LSDHHAIUSA-N 0 3 371.397 1.036 20 5 FDBDHN Cc1ccc(C(=O)NCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580769326 551016513 /nfs/dbraw/zinc/01/65/13/551016513.db2.gz MBCTWKCXIGWSDL-KRWDZBQOSA-N 0 3 373.409 1.663 20 5 FDBDHN NC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000580770913 551016644 /nfs/dbraw/zinc/01/66/44/551016644.db2.gz GGFUYCOLVSHTHU-INIZCTEOSA-N 0 3 355.398 1.381 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CN)c([N+](=O)[O-])n1 ZINC000581369459 551081249 /nfs/dbraw/zinc/08/12/49/551081249.db2.gz BEJGRBIHBARKLW-ZDUSSCGKSA-N 0 3 365.415 1.058 20 5 FDBDHN CNc1nccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000582973597 551287115 /nfs/dbraw/zinc/28/71/15/551287115.db2.gz DDYVBMYDDZLYIX-UHFFFAOYSA-N 0 3 369.425 1.861 20 5 FDBDHN O=C1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000583929545 551421899 /nfs/dbraw/zinc/42/18/99/551421899.db2.gz POZRGOZOQKCTDR-GDBMZVCRSA-N 0 3 371.393 1.730 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000585757226 551593922 /nfs/dbraw/zinc/59/39/22/551593922.db2.gz ASICJJYPBLAOKV-LLVKDONJSA-N 0 3 350.419 1.897 20 5 FDBDHN COC(=O)C1CCN(CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587216372 551631613 /nfs/dbraw/zinc/63/16/13/551631613.db2.gz MVALXLXDKAOHOJ-UHFFFAOYSA-N 0 3 366.418 1.356 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841424 551691761 /nfs/dbraw/zinc/69/17/61/551691761.db2.gz HEDDZRKXWBKUPP-UHFFFAOYSA-N 0 3 366.381 1.688 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860570 551693898 /nfs/dbraw/zinc/69/38/98/551693898.db2.gz IRQLMMDDVLUNDR-LSDHHAIUSA-N 0 3 358.398 1.286 20 5 FDBDHN COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000590399682 551780222 /nfs/dbraw/zinc/78/02/22/551780222.db2.gz CZGNUKIQHWIFLC-GDBMZVCRSA-N 0 3 363.414 1.847 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590399657 551780367 /nfs/dbraw/zinc/78/03/67/551780367.db2.gz CWJCQOVJNWIFML-VXGBXAGGSA-N 0 3 351.407 1.377 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC000590398949 551780446 /nfs/dbraw/zinc/78/04/46/551780446.db2.gz BWEFFHSDURHJHM-UHFFFAOYSA-N 0 3 364.471 1.636 20 5 FDBDHN Cn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590446470 551785732 /nfs/dbraw/zinc/78/57/32/551785732.db2.gz UBISLVIPTROYAC-CJNGLKHVSA-N 0 3 355.398 1.771 20 5 FDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590589854 551795716 /nfs/dbraw/zinc/79/57/16/551795716.db2.gz RFBIWFUWRAZPHW-MNOVXSKESA-N 0 3 371.415 1.079 20 5 FDBDHN COC(=O)Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000590694578 551806163 /nfs/dbraw/zinc/80/61/63/551806163.db2.gz QZVHKLILYIFQNB-HNNXBMFYSA-N 0 3 363.414 1.976 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000591015747 551835865 /nfs/dbraw/zinc/83/58/65/551835865.db2.gz OSRRFNWMPAGDAH-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FDBDHN CN(C)[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000591747845 551905616 /nfs/dbraw/zinc/90/56/16/551905616.db2.gz NOGDTPVRVJRWAS-OAHLLOKOSA-N 0 3 373.500 1.395 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592177741 551954426 /nfs/dbraw/zinc/95/44/26/551954426.db2.gz OTASCHMYHYHJJN-ZWKOTPCHSA-N 0 3 372.425 1.812 20 5 FDBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592199248 551957745 /nfs/dbraw/zinc/95/77/45/551957745.db2.gz SWPJPAYPMZYLMX-STQMWFEESA-N 0 3 365.386 1.088 20 5 FDBDHN CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CN)C1 ZINC000592309867 551977613 /nfs/dbraw/zinc/97/76/13/551977613.db2.gz XBEYATICUDRSCO-ZDUSSCGKSA-N 0 3 361.427 1.433 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000592463438 551998446 /nfs/dbraw/zinc/99/84/46/551998446.db2.gz RXUJIRFPYBBLPP-JTQLQIEISA-N 0 3 353.354 1.318 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000592875628 552038109 /nfs/dbraw/zinc/03/81/09/552038109.db2.gz ZVSUZUYIRFDPSW-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN O=C([C@H]1CNCCC1(F)F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592964062 552050050 /nfs/dbraw/zinc/05/00/50/552050050.db2.gz DVERCQDIMOXSJV-CMPLNLGQSA-N 0 3 355.345 1.247 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)n1 ZINC000593069812 552058056 /nfs/dbraw/zinc/05/80/56/552058056.db2.gz VFAWVZAPSLKKKS-MSOLQXFVSA-N 0 3 371.441 1.767 20 5 FDBDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593091940 552060966 /nfs/dbraw/zinc/06/09/66/552060966.db2.gz NYFVKTCGGPBLFO-HIFRSBDPSA-N 0 3 368.434 1.739 20 5 FDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593130195 552065701 /nfs/dbraw/zinc/06/57/01/552065701.db2.gz KCLYPQGKINOJRG-SOUVJXGZSA-N 0 3 364.398 1.466 20 5 FDBDHN CSc1cccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593235431 552075540 /nfs/dbraw/zinc/07/55/40/552075540.db2.gz PVRDKSQBKZXYJJ-UHFFFAOYSA-N 0 3 366.443 1.163 20 5 FDBDHN C[C@@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593235448 552075564 /nfs/dbraw/zinc/07/55/64/552075564.db2.gz QCNKIVURRNKFBE-GFCCVEGCSA-N 0 3 366.393 1.070 20 5 FDBDHN C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000593389076 552100655 /nfs/dbraw/zinc/10/06/55/552100655.db2.gz NQMDSGLHZDRYEQ-CYBMUJFWSA-N 0 3 363.418 1.071 20 5 FDBDHN COCCCN1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593448969 552110062 /nfs/dbraw/zinc/11/00/62/552110062.db2.gz SOBXNCPXEIAQTP-UHFFFAOYSA-N 0 3 353.394 1.894 20 5 FDBDHN Cn1cnc([N+](=O)[O-])c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593495759 552117497 /nfs/dbraw/zinc/11/74/97/552117497.db2.gz IGEJTTVAEMUNFH-HOTGVXAUSA-N 0 3 357.414 1.808 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC2(N(C)C)CC2)c1 ZINC000593745147 552189371 /nfs/dbraw/zinc/18/93/71/552189371.db2.gz WQQSFJCHAYRWAM-UHFFFAOYSA-N 0 3 357.414 1.972 20 5 FDBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594243139 552269728 /nfs/dbraw/zinc/26/97/28/552269728.db2.gz INGMAFVDPHPZCK-LSDHHAIUSA-N 0 3 373.413 1.079 20 5 FDBDHN NC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594533528 552330000 /nfs/dbraw/zinc/33/00/00/552330000.db2.gz OSQSRVSAZZYSQT-MRVPVSSYSA-N 0 3 354.672 1.193 20 5 FDBDHN CC(C)Oc1nc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000594574057 552335716 /nfs/dbraw/zinc/33/57/16/552335716.db2.gz YELVJWCOUAMPNX-AWEZNQCLSA-N 0 3 351.451 2.215 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594597003 552338978 /nfs/dbraw/zinc/33/89/78/552338978.db2.gz BWLVRHWAIMGRBN-TZMCWYRMSA-N 0 3 354.432 1.671 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594717514 552362445 /nfs/dbraw/zinc/36/24/45/552362445.db2.gz AKIRMBGSFAVGFU-DGCLKSJQSA-N 0 3 366.340 1.632 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594717516 552362635 /nfs/dbraw/zinc/36/26/35/552362635.db2.gz AKIRMBGSFAVGFU-YPMHNXCESA-N 0 3 366.340 1.632 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000595010295 552436794 /nfs/dbraw/zinc/43/67/94/552436794.db2.gz GLKRMLYJNMXSDN-CYBMUJFWSA-N 0 3 350.419 1.418 20 5 FDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595834478 552622030 /nfs/dbraw/zinc/62/20/30/552622030.db2.gz ZZUDSYSOBGEBDD-GDBMZVCRSA-N 0 3 363.414 1.279 20 5 FDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595850758 552623377 /nfs/dbraw/zinc/62/33/77/552623377.db2.gz ODCQPOKPBKSJPT-ZBFHGGJFSA-N 0 3 365.430 1.571 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595907086 552631737 /nfs/dbraw/zinc/63/17/37/552631737.db2.gz FXTUYJJKXNHGMR-PRHODGIISA-N 0 3 364.324 1.752 20 5 FDBDHN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596209766 552664927 /nfs/dbraw/zinc/66/49/27/552664927.db2.gz QGBKHOOKHBFOHL-SFHVURJKSA-N 0 3 358.398 1.769 20 5 FDBDHN CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596209766 552664929 /nfs/dbraw/zinc/66/49/29/552664929.db2.gz QGBKHOOKHBFOHL-SFHVURJKSA-N 0 3 358.398 1.769 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000596296091 552671766 /nfs/dbraw/zinc/67/17/66/552671766.db2.gz GTFGJGULBSZASW-OLZOCXBDSA-N 0 3 354.432 1.671 20 5 FDBDHN NC(=O)c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424162 552677970 /nfs/dbraw/zinc/67/79/70/552677970.db2.gz QHCKPLJIPAMBDO-INIZCTEOSA-N 0 3 370.409 1.872 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597573323 552806642 /nfs/dbraw/zinc/80/66/42/552806642.db2.gz DILZZJBIYSOZLB-GOSISDBHSA-N 0 3 360.414 1.465 20 5 FDBDHN Cc1c(Br)cc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597655048 552818336 /nfs/dbraw/zinc/81/83/36/552818336.db2.gz XWOVDUSRGOCJLW-JTQLQIEISA-N 0 3 360.208 1.318 20 5 FDBDHN C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000598187248 552873942 /nfs/dbraw/zinc/87/39/42/552873942.db2.gz VHRXATKDUMKNBW-GFCCVEGCSA-N 0 3 368.409 1.316 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1 ZINC000598576619 552910595 /nfs/dbraw/zinc/91/05/95/552910595.db2.gz XWYRDOHUESPUIV-HNNXBMFYSA-N 0 3 362.430 1.501 20 5 FDBDHN COC(=O)c1ccnc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000598609185 552915242 /nfs/dbraw/zinc/91/52/42/552915242.db2.gz ZHUKBDGUFVUJHL-GFCCVEGCSA-N 0 3 350.375 1.442 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901106 552941612 /nfs/dbraw/zinc/94/16/12/552941612.db2.gz NYQWBUFXHNYGGF-IAQYHMDHSA-N 0 3 361.402 1.315 20 5 FDBDHN C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000598902286 552942050 /nfs/dbraw/zinc/94/20/50/552942050.db2.gz NBZZVEXVEUDEBN-GFCCVEGCSA-N 0 3 361.402 1.483 20 5 FDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598992200 552955036 /nfs/dbraw/zinc/95/50/36/552955036.db2.gz XZRJHIKHMCFKIA-SJDLMVEWSA-N 0 3 365.397 1.914 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599107805 552968633 /nfs/dbraw/zinc/96/86/33/552968633.db2.gz VQBDJRQDMXNOIU-GFCCVEGCSA-N 0 3 359.379 1.305 20 5 FDBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165217 552977300 /nfs/dbraw/zinc/97/73/00/552977300.db2.gz NRGDUEGQGXCRER-LBPRGKRZSA-N 0 3 354.432 1.671 20 5 FDBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000599183146 552980069 /nfs/dbraw/zinc/98/00/69/552980069.db2.gz IIDCWGMAHNEMIP-UHFFFAOYSA-N 0 3 362.430 1.775 20 5 FDBDHN CN(C)CCOC1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601116802 553349260 /nfs/dbraw/zinc/34/92/60/553349260.db2.gz XHLWIKHUENUVMH-UHFFFAOYSA-N 0 3 365.356 1.894 20 5 FDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601612215 553445538 /nfs/dbraw/zinc/44/55/38/553445538.db2.gz MEJVJUIOBSUMSR-MRXNPFEDSA-N 0 3 361.442 1.980 20 5 FDBDHN O=C([C@H]1CCN1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602160032 553531567 /nfs/dbraw/zinc/53/15/67/553531567.db2.gz VLWBMJZKNCRSFG-MRXNPFEDSA-N 0 3 359.430 1.655 20 5 FDBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874580 553656874 /nfs/dbraw/zinc/65/68/74/553656874.db2.gz QTXUQTBYCTUIIA-BETUJISGSA-N 0 3 350.419 1.956 20 5 FDBDHN CN1CCC2(CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602877351 553657824 /nfs/dbraw/zinc/65/78/24/553657824.db2.gz HAVOBZWMTQXHMV-UHFFFAOYSA-N 0 3 367.471 1.786 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(C3CC3)C2)ncnc1N[C@@H]1CCN(C2CC2)C1 ZINC000603279145 553752039 /nfs/dbraw/zinc/75/20/39/553752039.db2.gz NOAISZUSWNTTRA-CHWSQXEVSA-N 0 3 373.461 1.682 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000608860252 554325782 /nfs/dbraw/zinc/32/57/82/554325782.db2.gz IHKGQRSKSZBDJZ-HNNXBMFYSA-N 0 3 369.377 1.684 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000609350966 554371585 /nfs/dbraw/zinc/37/15/85/554371585.db2.gz YRNNCPAKNPGGDO-GFCCVEGCSA-N 0 3 354.432 1.307 20 5 FDBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000609696130 554412880 /nfs/dbraw/zinc/41/28/80/554412880.db2.gz HFQLEURVOSTWLZ-CYBMUJFWSA-N 0 3 358.402 1.528 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C(C)(C)CO)CC2)cccc1[N+](=O)[O-] ZINC000609845989 554428268 /nfs/dbraw/zinc/42/82/68/554428268.db2.gz SNJGBFSTAMVGQV-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000611239063 554618596 /nfs/dbraw/zinc/61/85/96/554618596.db2.gz ICUQQRXLIHHGOS-CYBMUJFWSA-N 0 3 351.407 1.045 20 5 FDBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1OCC(=O)NC ZINC000611379735 554629874 /nfs/dbraw/zinc/62/98/74/554629874.db2.gz CDVABRSBVSZXHY-AWEZNQCLSA-N 0 3 361.402 1.657 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938056 554705896 /nfs/dbraw/zinc/70/58/96/554705896.db2.gz HJEMYLQLSIWOQD-RTBURBONSA-N 0 3 373.457 1.969 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OCCCO)CC1 ZINC000612090065 554732793 /nfs/dbraw/zinc/73/27/93/554732793.db2.gz QGPBOKABBJJUQN-CQSZACIVSA-N 0 3 354.403 1.198 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCC(OC)CC1 ZINC000614936999 555140190 /nfs/dbraw/zinc/14/01/90/555140190.db2.gz MQEFSCARRKTQSX-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)n1 ZINC000617381163 555429701 /nfs/dbraw/zinc/42/97/01/555429701.db2.gz MLQDCHGEZJPIQR-LBPRGKRZSA-N 0 3 359.386 1.781 20 5 FDBDHN COc1cccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000618212388 555590244 /nfs/dbraw/zinc/59/02/44/555590244.db2.gz UXCSCUNKHAXDCV-CYBMUJFWSA-N 0 3 362.430 1.502 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000618923025 555696669 /nfs/dbraw/zinc/69/66/69/555696669.db2.gz AUKXLJGMEFFRMR-KRWDZBQOSA-N 0 3 350.419 1.312 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000619254965 555745726 /nfs/dbraw/zinc/74/57/26/555745726.db2.gz RBHLGMVLMINFBB-SFHVURJKSA-N 0 3 360.414 1.534 20 5 FDBDHN CN1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000452974878 568087824 /nfs/dbraw/zinc/08/78/24/568087824.db2.gz MKVIPVVCHXXQIA-DOMZBBRYSA-N 0 3 356.382 1.684 20 5 FDBDHN CS[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000272023823 674406487 /nfs/dbraw/zinc/40/64/87/674406487.db2.gz LUVDPYLORLIPAJ-CVEARBPZSA-N 0 3 364.471 1.461 20 5 FDBDHN CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000736243780 599062103 /nfs/dbraw/zinc/06/21/03/599062103.db2.gz ZGHCJMRVJRPQFW-UHFFFAOYSA-N 0 3 372.433 1.871 20 5 FDBDHN CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000736243780 599062105 /nfs/dbraw/zinc/06/21/05/599062105.db2.gz ZGHCJMRVJRPQFW-UHFFFAOYSA-N 0 3 372.433 1.871 20 5 FDBDHN C[NH+](C)C[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825856237 607738379 /nfs/dbraw/zinc/73/83/79/607738379.db2.gz SKAMMSOHVBZTEQ-INIZCTEOSA-N 0 3 372.389 1.048 20 5 FDBDHN C[NH+](C)C[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825856237 607738380 /nfs/dbraw/zinc/73/83/80/607738380.db2.gz SKAMMSOHVBZTEQ-INIZCTEOSA-N 0 3 372.389 1.048 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596210 606040261 /nfs/dbraw/zinc/04/02/61/606040261.db2.gz CSILFLNGTLGJPN-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821596210 606040266 /nfs/dbraw/zinc/04/02/66/606040266.db2.gz CSILFLNGTLGJPN-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596210 606040272 /nfs/dbraw/zinc/04/02/72/606040272.db2.gz CSILFLNGTLGJPN-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821596210 606040279 /nfs/dbraw/zinc/04/02/79/606040279.db2.gz CSILFLNGTLGJPN-CYBMUJFWSA-N 0 3 357.418 1.943 20 5 FDBDHN CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821099913 606186180 /nfs/dbraw/zinc/18/61/80/606186180.db2.gz QQZQBUVBRFNVEY-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821099913 606186181 /nfs/dbraw/zinc/18/61/81/606186181.db2.gz QQZQBUVBRFNVEY-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821099913 606186184 /nfs/dbraw/zinc/18/61/84/606186184.db2.gz QQZQBUVBRFNVEY-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821099913 606186185 /nfs/dbraw/zinc/18/61/85/606186185.db2.gz QQZQBUVBRFNVEY-UHFFFAOYSA-N 0 3 356.390 1.884 20 5 FDBDHN COCCOC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273405555 674534000 /nfs/dbraw/zinc/53/40/00/674534000.db2.gz WVPBZHZOYFKQNA-CQSZACIVSA-N 0 3 354.403 1.462 20 5 FDBDHN CC[N@@H+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825464995 607821856 /nfs/dbraw/zinc/82/18/56/607821856.db2.gz FWEASOKQMPIMEE-NSHDSACASA-N 0 3 368.401 1.854 20 5 FDBDHN CC[N@H+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825464995 607821857 /nfs/dbraw/zinc/82/18/57/607821857.db2.gz FWEASOKQMPIMEE-NSHDSACASA-N 0 3 368.401 1.854 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000277364841 674925852 /nfs/dbraw/zinc/92/58/52/674925852.db2.gz VBMULDYATZGKSF-CYBMUJFWSA-N 0 3 369.443 1.555 20 5 FDBDHN COc1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192551855 672356108 /nfs/dbraw/zinc/35/61/08/672356108.db2.gz HDJLJXSARNWZCY-UHFFFAOYSA-N 0 3 350.419 1.313 20 5 FDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000195666900 672408665 /nfs/dbraw/zinc/40/86/65/672408665.db2.gz WWZXYIPWIDJTTK-VXGBXAGGSA-N 0 3 356.448 1.775 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245577941 672452154 /nfs/dbraw/zinc/45/21/54/672452154.db2.gz HBARMPNQNXMXLT-GJZGRUSLSA-N 0 3 353.444 1.743 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292937733 676329943 /nfs/dbraw/zinc/32/99/43/676329943.db2.gz ZRDQKCPWHXPLDJ-MRXNPFEDSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000299042944 676513499 /nfs/dbraw/zinc/51/34/99/676513499.db2.gz DIUVTRFEONUMSE-STQMWFEESA-N 0 3 355.416 1.509 20 5 FDBDHN CSc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000377513312 678551993 /nfs/dbraw/zinc/55/19/93/678551993.db2.gz SQPVPQYZUDOGAD-STQMWFEESA-N 0 3 351.428 1.910 20 5 FDBDHN Cc1ncc(CN2CC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000378318503 678739478 /nfs/dbraw/zinc/73/94/78/678739478.db2.gz MKDJHJOKSKROMH-BXKDBHETSA-N 0 3 364.431 1.723 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000394820505 678798774 /nfs/dbraw/zinc/79/87/74/678798774.db2.gz UBHQPRWZNNGHBO-SECBINFHSA-N 0 3 357.766 1.817 20 5 FDBDHN COC(=O)[C@H]1CSCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412085307 679153823 /nfs/dbraw/zinc/15/38/23/679153823.db2.gz UKEKKFGTWGTKGP-OLZOCXBDSA-N 0 3 370.427 1.173 20 5 FDBDHN O=C([C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000430667476 681090230 /nfs/dbraw/zinc/09/02/30/681090230.db2.gz QBFZVOGKWWNYNU-CYBMUJFWSA-N 0 3 350.394 1.378 20 5 FDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433795590 681215392 /nfs/dbraw/zinc/21/53/92/681215392.db2.gz YUBCLFZZDCUBIR-CYBMUJFWSA-N 0 3 368.459 1.932 20 5 FDBDHN CS[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000442560530 682158312 /nfs/dbraw/zinc/15/83/12/682158312.db2.gz WZTCFSJIVOYXPK-STQMWFEESA-N 0 3 352.416 1.037 20 5 FDBDHN COC(=O)COc1ccc(CN(C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475690743 685627227 /nfs/dbraw/zinc/62/72/27/685627227.db2.gz FRLYJEDPNAWHMW-HNNXBMFYSA-N 0 3 354.403 1.985 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501108718 688156360 /nfs/dbraw/zinc/15/63/60/688156360.db2.gz TXGOOZUXOOMKLA-CYBMUJFWSA-N 0 3 373.207 1.545 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1N(C)C ZINC000537924921 694910065 /nfs/dbraw/zinc/91/00/65/694910065.db2.gz WRBQINNRXMJIFA-RISCZKNCSA-N 0 3 353.400 1.441 20 5 FDBDHN CC(C)[C@@H](O)C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000574083400 694912767 /nfs/dbraw/zinc/91/27/67/694912767.db2.gz BILLVGDVGAVMKA-OAHLLOKOSA-N 0 3 356.444 1.755 20 5 FDBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868340 721048416 /nfs/dbraw/zinc/04/84/16/721048416.db2.gz NYLRFCVWCPEQTN-DLBZAZTESA-N 0 3 355.398 1.865 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261703269 774360671 /nfs/dbraw/zinc/36/06/71/774360671.db2.gz GLAPXZLCNMKEIE-OAHLLOKOSA-N 0 3 358.402 1.222 20 5 FDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292841898 787614910 /nfs/dbraw/zinc/61/49/10/787614910.db2.gz BCWWNDMORNXLLK-INIZCTEOSA-N 0 3 361.402 1.785 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415135374 791465290 /nfs/dbraw/zinc/46/52/90/791465290.db2.gz WQALSSFUSYAYDE-MRXNPFEDSA-N 0 3 360.418 1.881 20 5 FDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000377749474 792716367 /nfs/dbraw/zinc/71/63/67/792716367.db2.gz ZROMJIWRXIQZKQ-BDUNBXCCSA-N 0 3 374.441 1.131 20 5 FDBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000500141448 795533911 /nfs/dbraw/zinc/53/39/11/795533911.db2.gz NGVGFWGNNMHYJD-OCCSQVGLSA-N 0 3 364.406 1.813 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCc2ccc(F)c(F)c2)CC1 ZINC000981136895 807576737 /nfs/dbraw/zinc/57/67/37/807576737.db2.gz LAWMVXOBQNFSMH-CZUORRHYSA-N 0 3 353.369 1.707 20 5 FDBDHN COc1cccc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC000981764838 808451709 /nfs/dbraw/zinc/45/17/09/808451709.db2.gz GCRPOASXTJEZKU-HUUCEWRRSA-N 0 3 360.414 1.180 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425017528 815502349 /nfs/dbraw/zinc/50/23/49/815502349.db2.gz ZDSBUODOXKVWLY-LSDHHAIUSA-N 0 3 355.398 1.675 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000366629566 813706761 /nfs/dbraw/zinc/70/67/61/813706761.db2.gz NBIAFCQCRVMYHW-INIZCTEOSA-N 0 3 362.430 1.342 20 5 FDBDHN COCCN(C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521847669 821366821 /nfs/dbraw/zinc/36/68/21/821366821.db2.gz WSHISXPKKKORTP-UHFFFAOYSA-N 0 3 361.402 1.303 20 5 FDBDHN C[C@]1(Br)C[C@H]1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000895948869 823796527 /nfs/dbraw/zinc/79/65/27/823796527.db2.gz SJPRNKQAXGLIOE-ASEORRQLSA-N 0 3 359.220 1.752 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000525658728 828680248 /nfs/dbraw/zinc/68/02/48/828680248.db2.gz MUGLIDSTCSGTGE-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220043 827179887 /nfs/dbraw/zinc/17/98/87/827179887.db2.gz RPJQYQFELVNDDT-ZWKOTPCHSA-N 0 3 374.441 1.522 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520358799 830949645 /nfs/dbraw/zinc/94/96/45/830949645.db2.gz VRBOKUIHRIFJJO-UHFFFAOYSA-N 0 3 364.402 1.033 20 5 FDBDHN Cc1c(CNC(=O)N(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000480074000 844748556 /nfs/dbraw/zinc/74/85/56/844748556.db2.gz WAXCPBIHRUPZHS-UHFFFAOYSA-N 0 3 363.462 1.682 20 5 FDBDHN O=C(NCCNCc1ccc(Oc2ccccc2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936875 848654348 /nfs/dbraw/zinc/65/43/48/848654348.db2.gz VNNHURAQOFTNFX-HUUCEWRRSA-N 0 3 357.370 1.140 20 5 FDBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000485655070 852659184 /nfs/dbraw/zinc/65/91/84/852659184.db2.gz GVZPMSAKHZWAFV-DYVFJYSZSA-N 0 3 364.421 1.832 20 5 FDBDHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000486043503 853515446 /nfs/dbraw/zinc/51/54/46/853515446.db2.gz JGPTVIZLGZOMQP-UHFFFAOYSA-N 0 3 371.397 1.873 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547478 854345907 /nfs/dbraw/zinc/34/59/07/854345907.db2.gz GLLKRSPJGMNTLK-YGRLFVJLSA-N 0 3 359.835 1.820 20 5 FDBDHN CN1CCC(N(CCO)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000911944502 859142378 /nfs/dbraw/zinc/14/23/78/859142378.db2.gz ZLEKKWFKJCUKHM-UHFFFAOYSA-N 0 3 373.812 1.845 20 5 FDBDHN CN1CCC(N(CCO)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000911934729 859158688 /nfs/dbraw/zinc/15/86/88/859158688.db2.gz DXXSRICWOKNVCU-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000912611704 859958571 /nfs/dbraw/zinc/95/85/71/859958571.db2.gz VCKKRVBRCSBLDN-UHFFFAOYSA-N 0 3 350.419 1.191 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249490452 860920053 /nfs/dbraw/zinc/92/00/53/860920053.db2.gz FAJDTHKEJKJFTD-KBPBESRZSA-N 0 3 364.446 1.619 20 5 FDBDHN Cc1cc(=O)c(C(=O)NC(C)(C)CN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000457223216 867352150 /nfs/dbraw/zinc/35/21/50/867352150.db2.gz PDRAPVVMRQJYLU-UHFFFAOYSA-N 0 3 373.413 1.519 20 5 FDBDHN C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272560677 877916949 /nfs/dbraw/zinc/91/69/49/877916949.db2.gz JOXAICRJTFMLQS-HNNXBMFYSA-N 0 3 363.462 1.935 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265867170 878320803 /nfs/dbraw/zinc/32/08/03/878320803.db2.gz USSXCBDVMZBDJC-MRXNPFEDSA-N 0 3 364.446 1.937 20 5 FDBDHN CC[C@@H](CN1CCOCC1)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000922590703 878721984 /nfs/dbraw/zinc/72/19/84/878721984.db2.gz VFBFMYGXRHUCQF-AWEZNQCLSA-N 0 3 353.419 1.812 20 5 FDBDHN CCc1[n-]nc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000351294587 881278995 /nfs/dbraw/zinc/27/89/95/881278995.db2.gz SOLIMEVZKKWMGT-UHFFFAOYSA-N 0 3 373.373 1.933 20 5 FDBDHN COc1ccc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000918351431 884346114 /nfs/dbraw/zinc/34/61/14/884346114.db2.gz JVUNXHFMVMFPJJ-HZPDHXFCSA-N 0 3 369.443 1.566 20 5 FDBDHN COc1ccc(F)cc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789980 893932593 /nfs/dbraw/zinc/93/25/93/893932593.db2.gz ZVQJAPHBXFKWTF-HUUCEWRRSA-N 0 3 351.378 1.580 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727860150 911400288 /nfs/dbraw/zinc/40/02/88/911400288.db2.gz TXPQVVQGIZJNRL-OAHLLOKOSA-N 0 3 361.402 1.172 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000731683996 918423397 /nfs/dbraw/zinc/42/33/97/918423397.db2.gz MVXFTYJJRXDIAF-GDBMZVCRSA-N 0 3 364.402 1.136 20 5 FDBDHN CCc1n[nH]c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734242650 923119236 /nfs/dbraw/zinc/11/92/36/923119236.db2.gz RJBKGTDESLVPCM-GFCCVEGCSA-N 0 3 351.407 1.254 20 5 FDBDHN CS(=O)(=O)c1ccc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001169591406 928763787 /nfs/dbraw/zinc/76/37/87/928763787.db2.gz ITSZYRYVUVJYSY-UHFFFAOYSA-N 0 3 362.411 1.936 20 5 FDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)N1CCOCC1 ZINC000786810879 932048048 /nfs/dbraw/zinc/04/80/48/932048048.db2.gz BOTYPCVVFRTHPK-SDNWHVSQSA-N 0 3 369.443 1.250 20 5 FDBDHN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102546 941325848 /nfs/dbraw/zinc/32/58/48/941325848.db2.gz RNVKJWQCTJNOIW-PSLIRLAXSA-N 0 3 351.334 1.563 20 5 FDBDHN CC(COC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813102163 941326035 /nfs/dbraw/zinc/32/60/35/941326035.db2.gz OOLPMNTYEJHOQB-SSDOTTSWSA-N 0 3 366.189 1.675 20 5 FDBDHN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105212 941333859 /nfs/dbraw/zinc/33/38/59/941333859.db2.gz KNAQKEGZASOVFC-NXEZZACHSA-N 0 3 356.762 1.910 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816751085 942332946 /nfs/dbraw/zinc/33/29/46/942332946.db2.gz ZCXURRTXMFUZSB-CABCVRRESA-N 0 3 364.358 1.438 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@H]1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819307694 943513048 /nfs/dbraw/zinc/51/30/48/943513048.db2.gz DHIGGQUPZYXPGH-GJZGRUSLSA-N 0 3 357.432 1.032 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000819336016 943532116 /nfs/dbraw/zinc/53/21/16/943532116.db2.gz BSBATCHGFUYMHY-CZUORRHYSA-N 0 3 362.407 1.789 20 5 FDBDHN CS(=O)(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819349698 943537449 /nfs/dbraw/zinc/53/74/49/943537449.db2.gz WHRUFOSKMXMPIR-INIZCTEOSA-N 0 3 350.396 1.822 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844034779 947630892 /nfs/dbraw/zinc/63/08/92/947630892.db2.gz MPTZSXFIJKOLKF-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN CC([C@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874759 950043928 /nfs/dbraw/zinc/04/39/28/950043928.db2.gz JYEXXFDFQCPFMT-UFBFGSQYSA-N 0 3 351.290 1.188 20 5 FDBDHN CC([C@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874751 950044598 /nfs/dbraw/zinc/04/45/98/950044598.db2.gz JYEXXFDFQCPFMT-PELKAZGASA-N 0 3 351.290 1.188 20 5 FDBDHN CC([C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876891 950050304 /nfs/dbraw/zinc/05/03/04/950050304.db2.gz QZBQFJNILOKMBU-UFBFGSQYSA-N 0 3 353.266 1.275 20 5 FDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3ncncn3)CC1)CC2 ZINC001172913608 961829473 /nfs/dbraw/zinc/82/94/73/961829473.db2.gz SWJKXSOWWRJZNN-INIZCTEOSA-N 0 3 354.414 1.849 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@]2(C)CCS(=O)(=O)C2)c1F ZINC001173187500 961956964 /nfs/dbraw/zinc/95/69/64/961956964.db2.gz DSLHDVNGBKLHGN-MEBBXXQBSA-N 0 3 360.407 1.840 20 5 FDBDHN COc1ccc(-n2ccc(=NCCN3CCOCC3)c(N)c2)cc1[N+](=O)[O-] ZINC001176361266 963432403 /nfs/dbraw/zinc/43/24/03/963432403.db2.gz VUOYTYIWECKGHB-UHFFFAOYSA-N 0 3 373.413 1.209 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468596 963950240 /nfs/dbraw/zinc/95/02/40/963950240.db2.gz ZHDCSGGRJDZFQA-CHWSQXEVSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001185468596 963950242 /nfs/dbraw/zinc/95/02/42/963950242.db2.gz ZHDCSGGRJDZFQA-CHWSQXEVSA-N 0 3 357.407 1.947 20 5 FDBDHN CCCc1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458772 964243457 /nfs/dbraw/zinc/24/34/57/964243457.db2.gz XQWFWLJZSHYDQN-CHWSQXEVSA-N 0 3 353.423 1.454 20 5 FDBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C(C)(C)C1 ZINC001178860363 964533949 /nfs/dbraw/zinc/53/39/49/964533949.db2.gz AKRNZCRVCYWFEH-AWEZNQCLSA-N 0 3 359.390 1.031 20 5 FDBDHN COC(=O)c1ccnc(NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC001187717465 965662935 /nfs/dbraw/zinc/66/29/35/965662935.db2.gz UJWNVVKRNPKIHH-GFCCVEGCSA-N 0 3 350.375 1.442 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1F ZINC000854336303 968782136 /nfs/dbraw/zinc/78/21/36/968782136.db2.gz JVFMAMVMSWFZFZ-UHFFFAOYSA-N 0 3 370.400 1.937 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855694912 970618506 /nfs/dbraw/zinc/61/85/06/970618506.db2.gz CZRRNKAMGOKRQN-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN CN(CCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000104653239 973477020 /nfs/dbraw/zinc/47/70/20/973477020.db2.gz CVTAAYZGVFQYFJ-UHFFFAOYSA-N 0 3 358.446 1.498 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1F ZINC000867300834 973876801 /nfs/dbraw/zinc/87/68/01/973876801.db2.gz RXHOAZVTMUCNJD-HNNXBMFYSA-N 0 3 357.407 1.759 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865802038 974506279 /nfs/dbraw/zinc/50/62/79/974506279.db2.gz JBYISKLKTJZNMW-CQSZACIVSA-N 0 3 366.437 1.666 20 5 FDBDHN Cc1ccc(CNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000867740837 976750503 /nfs/dbraw/zinc/75/05/03/976750503.db2.gz KQCYGNCBHDJREZ-UHFFFAOYSA-N 0 3 362.430 1.462 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868281625 977440059 /nfs/dbraw/zinc/44/00/59/977440059.db2.gz RPEBDXVCYLURSI-HNNXBMFYSA-N 0 3 350.419 1.813 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000868569761 977779877 /nfs/dbraw/zinc/77/98/77/977779877.db2.gz WADUZKKTCAVXOL-LSDHHAIUSA-N 0 3 351.378 1.598 20 5 FDBDHN C[C@@H](N)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000881341604 979856101 /nfs/dbraw/zinc/85/61/01/979856101.db2.gz SLHSQINFUAHIKH-SSDOTTSWSA-N 0 3 373.154 1.859 20 5 FDBDHN COCCN1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000881812705 980170645 /nfs/dbraw/zinc/17/06/45/980170645.db2.gz ZNCISUODPQAFEQ-UHFFFAOYSA-N 0 3 362.430 1.646 20 5 FDBDHN O=[N+]([O-])c1c(N[C@@H]2CCCN(CCN3CCOCC3)C2)nc2ccccn21 ZINC000882987599 981863074 /nfs/dbraw/zinc/86/30/74/981863074.db2.gz JNJLDUCUCZHIHA-OAHLLOKOSA-N 0 3 374.445 1.451 20 5 FDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCCN(CCN3CCOCC3)C2)cs1 ZINC000883372204 982101492 /nfs/dbraw/zinc/10/14/92/982101492.db2.gz QHSAFNZPJWUOOQ-HNNXBMFYSA-N 0 3 354.476 1.543 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000884960168 985005983 /nfs/dbraw/zinc/00/59/83/985005983.db2.gz SIZOEAFYDSJYPS-NWDGAFQWSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000884960168 985005995 /nfs/dbraw/zinc/00/59/95/985005995.db2.gz SIZOEAFYDSJYPS-NWDGAFQWSA-N 0 3 357.407 1.947 20 5 FDBDHN CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859318 985708031 /nfs/dbraw/zinc/70/80/31/985708031.db2.gz XNPRMXBBNVQZSA-OAHLLOKOSA-N 0 3 363.414 1.977 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363641031 989361651 /nfs/dbraw/zinc/36/16/51/989361651.db2.gz IKIZGNOIRARUQT-GFCCVEGCSA-N 0 3 374.401 1.930 20 5 FDBDHN CC1CCN(CCNC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000370432149 989741786 /nfs/dbraw/zinc/74/17/86/989741786.db2.gz ZOGNENYAKLCCPQ-HNNXBMFYSA-N 0 3 364.450 1.870 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000371358409 990380800 /nfs/dbraw/zinc/38/08/00/990380800.db2.gz AMKIHTSLQUZVBA-CXAGYDPISA-N 0 3 364.421 1.832 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891280 992775223 /nfs/dbraw/zinc/77/52/23/992775223.db2.gz HTPXJEHBXHGDTO-WMLDXEAASA-N 0 3 364.446 1.018 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467027754 993256375 /nfs/dbraw/zinc/25/63/75/993256375.db2.gz BGZNIVRQQKOZPI-RISCZKNCSA-N 0 3 361.398 1.507 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467715330 993357697 /nfs/dbraw/zinc/35/76/97/993357697.db2.gz MFYPRCVCIVDQMQ-SJKOYZFVSA-N 0 3 355.398 1.993 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000469984494 993924618 /nfs/dbraw/zinc/92/46/18/993924618.db2.gz VIHONDHWUINAML-ZIAGYGMSSA-N 0 3 364.450 1.522 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000926152017 995942046 /nfs/dbraw/zinc/94/20/46/995942046.db2.gz ZDHNIMYVMAAGJN-SJORKVTESA-N 0 3 367.471 1.975 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(CC)CC2)c1 ZINC000283410944 999751904 /nfs/dbraw/zinc/75/19/04/999751904.db2.gz HVYWUPCWNSQAQD-UHFFFAOYSA-N 0 3 364.446 1.751 20 5 FDBDHN C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2)C[C@H](C)O1 ZINC000285348491 999910586 /nfs/dbraw/zinc/91/05/86/999910586.db2.gz ZLLVQMBDFCJSFS-BETUJISGSA-N 0 3 373.413 1.857 20 5 FDBDHN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2)C[C@H](C)O1 ZINC000285348491 999910587 /nfs/dbraw/zinc/91/05/87/999910587.db2.gz ZLLVQMBDFCJSFS-BETUJISGSA-N 0 3 373.413 1.857 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931915256 1004604463 /nfs/dbraw/zinc/60/44/63/1004604463.db2.gz OINBLPLYKJBRSM-WDEREUQCSA-N 0 3 352.288 1.519 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704073 1005111324 /nfs/dbraw/zinc/11/13/24/1005111324.db2.gz SETRVUMYKMQWKU-FHLIZLRMSA-N 0 3 360.458 1.841 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000934274268 1005727566 /nfs/dbraw/zinc/72/75/66/1005727566.db2.gz NTLFUHIZJSISKE-DLBZAZTESA-N 0 3 363.414 1.412 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190559956 178010794 /nfs/dbraw/zinc/01/07/94/178010794.db2.gz AFZDWUDDZJHUPF-ZDUSSCGKSA-N 0 3 365.365 1.230 20 5 FDBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000190907611 178031491 /nfs/dbraw/zinc/03/14/91/178031491.db2.gz ABYSREHIXVHVMR-AWEZNQCLSA-N 0 3 370.475 1.208 20 5 FDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193346435 178158776 /nfs/dbraw/zinc/15/87/76/178158776.db2.gz UTCSCWOQYOWAQI-UHFFFAOYSA-N 0 3 355.338 1.892 20 5 FDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000237934715 178338450 /nfs/dbraw/zinc/33/84/50/178338450.db2.gz AQGIYWXVNAKQDC-VIFPVBQESA-N 0 3 364.221 1.373 20 5 FDBDHN O=C(C[C@@H]1CSCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238047429 178345852 /nfs/dbraw/zinc/34/58/52/178345852.db2.gz XMXQIKHIQUSWER-VXGBXAGGSA-N 0 3 351.432 1.098 20 5 FDBDHN NC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237805566 178330771 /nfs/dbraw/zinc/33/07/71/178330771.db2.gz JJTSUQFDUPWXRX-SFHVURJKSA-N 0 3 354.410 1.986 20 5 FDBDHN CN(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)Cc1ccccc1 ZINC000264225818 179054672 /nfs/dbraw/zinc/05/46/72/179054672.db2.gz LIHPFCJLPFJGHD-UHFFFAOYSA-N 0 3 371.441 1.813 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264237301 179057432 /nfs/dbraw/zinc/05/74/32/179057432.db2.gz UBJMVHYBUQBNJF-UHFFFAOYSA-N 0 3 365.390 1.493 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264640740 179156044 /nfs/dbraw/zinc/15/60/44/179156044.db2.gz VPRQSDHLBMNWQD-YOEHRIQHSA-N 0 3 374.441 1.800 20 5 FDBDHN Cc1cc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000264922085 179241361 /nfs/dbraw/zinc/24/13/61/179241361.db2.gz QCEWTMXPEFOLRK-UHFFFAOYSA-N 0 3 362.430 1.433 20 5 FDBDHN Cc1cc(=O)c(C(=O)N[C@@H](C)CCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000264938512 179245827 /nfs/dbraw/zinc/24/58/27/179245827.db2.gz VFEZYJDKIOWVAO-LBPRGKRZSA-N 0 3 373.413 1.519 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000265391976 179363002 /nfs/dbraw/zinc/36/30/02/179363002.db2.gz OQRLXPOCGASZPW-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN CN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000265395844 179364099 /nfs/dbraw/zinc/36/40/99/179364099.db2.gz QNJJTBKTRLKTIJ-UHFFFAOYSA-N 0 3 372.328 1.345 20 5 FDBDHN COc1ccc(OCCSc2nnnn2CCN(C)C)c([N+](=O)[O-])c1 ZINC000525111263 539679647 /nfs/dbraw/zinc/67/96/47/539679647.db2.gz SPCMNILKGKMOFC-UHFFFAOYSA-N 0 3 368.419 1.323 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000268157574 180011730 /nfs/dbraw/zinc/01/17/30/180011730.db2.gz HGZODDMAPKAAAG-MEDUHNTESA-N 0 3 370.413 1.696 20 5 FDBDHN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269085207 180211789 /nfs/dbraw/zinc/21/17/89/180211789.db2.gz FEUWGTXYZUMEJT-MRXNPFEDSA-N 0 3 372.429 1.707 20 5 FDBDHN CCOCCO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000269690566 180362563 /nfs/dbraw/zinc/36/25/63/180362563.db2.gz NKWOLBBUGKWDCB-RDJZCZTQSA-N 0 3 354.403 1.462 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000274553720 181120153 /nfs/dbraw/zinc/12/01/53/181120153.db2.gz BDIKKHRHUKDYMU-ZDUSSCGKSA-N 0 3 359.430 1.832 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274587082 181127790 /nfs/dbraw/zinc/12/77/90/181127790.db2.gz MHBROCKHOQYCPO-LBPRGKRZSA-N 0 3 353.398 1.881 20 5 FDBDHN CCN1CCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000531654951 540109897 /nfs/dbraw/zinc/10/98/97/540109897.db2.gz CYKZHTSYSVEYDF-GFCCVEGCSA-N 0 3 356.448 1.741 20 5 FDBDHN Cn1cc(CCN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000274852076 181177336 /nfs/dbraw/zinc/17/73/36/181177336.db2.gz RCLBYRRCAALFGE-UHFFFAOYSA-N 0 3 369.429 1.959 20 5 FDBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275137380 181247923 /nfs/dbraw/zinc/24/79/23/181247923.db2.gz UDUDVXOXTQGZRL-LLVKDONJSA-N 0 3 361.320 1.974 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000275328031 181290626 /nfs/dbraw/zinc/29/06/26/181290626.db2.gz YRZPWOPPLGJEIZ-OLZOCXBDSA-N 0 3 373.406 1.648 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1cnccn1 ZINC000538943548 540912882 /nfs/dbraw/zinc/91/28/82/540912882.db2.gz HRSFHKRHZZJALS-UHFFFAOYSA-N 0 3 359.386 1.897 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@H](NC[C@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000539066015 540920350 /nfs/dbraw/zinc/92/03/50/540920350.db2.gz LHNAJGPZEOQQGZ-GJZGRUSLSA-N 0 3 354.428 1.319 20 5 FDBDHN COCC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000540600738 541080215 /nfs/dbraw/zinc/08/02/15/541080215.db2.gz WTQJDOFDBBMXNF-UHFFFAOYSA-N 0 3 373.356 1.923 20 5 FDBDHN NC(=O)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000541635815 541238182 /nfs/dbraw/zinc/23/81/82/541238182.db2.gz HHGHZLLPLGEFSI-HNNXBMFYSA-N 0 3 365.386 1.222 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1 ZINC000282841111 182063344 /nfs/dbraw/zinc/06/33/44/182063344.db2.gz MSKWLEHKCBSYJI-UHFFFAOYSA-N 0 3 374.397 1.969 20 5 FDBDHN O=C(CCN1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283319881 182156614 /nfs/dbraw/zinc/15/66/14/182156614.db2.gz OOTHSQKHWRLCBL-OAHLLOKOSA-N 0 3 362.430 1.720 20 5 FDBDHN COc1ccc(CC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000546019607 542075737 /nfs/dbraw/zinc/07/57/37/542075737.db2.gz HQXPUQOZHNQWPV-AWEZNQCLSA-N 0 3 364.446 1.288 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286260847 183025979 /nfs/dbraw/zinc/02/59/79/183025979.db2.gz GPNUBAZCTOGAQA-AAEUAGOBSA-N 0 3 354.432 1.305 20 5 FDBDHN COc1ccc(OCCN2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000287392989 183280806 /nfs/dbraw/zinc/28/08/06/183280806.db2.gz NODVCPQSJIBRII-CQSZACIVSA-N 0 3 363.414 1.927 20 5 FDBDHN CC1CCN(C[C@H](O)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000546770231 542222223 /nfs/dbraw/zinc/22/22/23/542222223.db2.gz SIPVDUBIYDGDEY-OAHLLOKOSA-N 0 3 371.459 1.107 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295440790 184071620 /nfs/dbraw/zinc/07/16/20/184071620.db2.gz XEGPMEGYYWOTHA-MRXNPFEDSA-N 0 3 370.450 1.967 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296055757 184125842 /nfs/dbraw/zinc/12/58/42/184125842.db2.gz QAPBLEIAOYHTMG-NSHDSACASA-N 0 3 366.393 1.829 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000296394692 184161767 /nfs/dbraw/zinc/16/17/67/184161767.db2.gz IZWMVMLZRLIDOC-CYBMUJFWSA-N 0 3 355.822 1.754 20 5 FDBDHN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCN1CCCCC1 ZINC000296747251 184196544 /nfs/dbraw/zinc/19/65/44/184196544.db2.gz PIBRQPWIVAZVSP-UHFFFAOYSA-N 0 3 353.400 1.615 20 5 FDBDHN COC(=O)Cc1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000297431220 184270765 /nfs/dbraw/zinc/27/07/65/184270765.db2.gz HYIBXWWOJIAGES-UHFFFAOYSA-N 0 3 363.414 1.611 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000171658874 258267727 /nfs/dbraw/zinc/26/77/27/258267727.db2.gz AFKJFGAAIHNOIU-UHFFFAOYSA-N 0 3 364.446 1.493 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171656443 258267864 /nfs/dbraw/zinc/26/78/64/258267864.db2.gz RQWHVKAENLXJHS-UHFFFAOYSA-N 0 3 364.446 1.363 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OCCO)C1 ZINC000172302697 258273377 /nfs/dbraw/zinc/27/33/77/258273377.db2.gz VLRWJWSZIXOSQH-OAHLLOKOSA-N 0 3 351.403 1.705 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548748647 542770342 /nfs/dbraw/zinc/77/03/42/542770342.db2.gz IZWKYJKTIMRHKG-UHFFFAOYSA-N 0 3 351.451 1.272 20 5 FDBDHN CCC[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000551814553 543345345 /nfs/dbraw/zinc/34/53/45/543345345.db2.gz XRTNUCFNLFAGTF-OAHLLOKOSA-N 0 3 356.444 1.965 20 5 FDBDHN CCOC(=O)c1ccnc(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000077966001 172141084 /nfs/dbraw/zinc/14/10/84/172141084.db2.gz OOUWZXJZNNNFBE-UHFFFAOYSA-N 0 3 365.434 1.240 20 5 FDBDHN O=C(NCCN1CCCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000078451927 172147787 /nfs/dbraw/zinc/14/77/87/172147787.db2.gz SPMGZVKKUPGDLK-UHFFFAOYSA-N 0 3 358.402 1.781 20 5 FDBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090519775 172265072 /nfs/dbraw/zinc/26/50/72/172265072.db2.gz IGYTWDWVVPDWSO-GJZGRUSLSA-N 0 3 364.446 1.773 20 5 FDBDHN Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000103123605 172359795 /nfs/dbraw/zinc/35/97/95/172359795.db2.gz SYTMDBQKEQEKEN-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000103448642 172365303 /nfs/dbraw/zinc/36/53/03/172365303.db2.gz VHNIBDPGMZCOHV-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000103448870 172365650 /nfs/dbraw/zinc/36/56/50/172365650.db2.gz SVAAAILCZIKFHT-UHFFFAOYSA-N 0 3 362.430 1.529 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000103492346 172368091 /nfs/dbraw/zinc/36/80/91/172368091.db2.gz SKMPCOHUKDCIOL-UHFFFAOYSA-N 0 3 364.446 1.589 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)CC1 ZINC000126657238 173048906 /nfs/dbraw/zinc/04/89/06/173048906.db2.gz GCGUCIYQJBRJTO-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127551466 173081955 /nfs/dbraw/zinc/08/19/55/173081955.db2.gz APSUBYXHYOLIKC-NWDGAFQWSA-N 0 3 358.398 1.991 20 5 FDBDHN Cc1ccc(NCCCNC(=O)NC[C@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000127973752 173096077 /nfs/dbraw/zinc/09/60/77/173096077.db2.gz WFEYIUSQALKHKP-KRWDZBQOSA-N 0 3 367.450 1.317 20 5 FDBDHN CC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N(C)C ZINC000134043393 173317056 /nfs/dbraw/zinc/31/70/56/173317056.db2.gz XSHUJZKXDAEJPB-LLVKDONJSA-N 0 3 354.432 1.281 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000134057598 173317734 /nfs/dbraw/zinc/31/77/34/173317734.db2.gz BMJKDABIYLSRLC-LLVKDONJSA-N 0 3 368.821 1.987 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1=O ZINC000135189560 173341050 /nfs/dbraw/zinc/34/10/50/173341050.db2.gz QCMQBSXQPAHHHM-OAHLLOKOSA-N 0 3 374.441 1.496 20 5 FDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000150720414 173378851 /nfs/dbraw/zinc/37/88/51/173378851.db2.gz SOQRCYIGWYVMHD-GFCCVEGCSA-N 0 3 355.822 1.875 20 5 FDBDHN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151260100 173395422 /nfs/dbraw/zinc/39/54/22/173395422.db2.gz ATQHRYJQKVIIPY-UHFFFAOYSA-N 0 3 371.357 1.890 20 5 FDBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000177739736 174154104 /nfs/dbraw/zinc/15/41/04/174154104.db2.gz GEHZYXVPWNSTFE-CQSZACIVSA-N 0 3 358.402 1.845 20 5 FDBDHN CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000174223436 258321629 /nfs/dbraw/zinc/32/16/29/258321629.db2.gz BDRSASKFOVFMJG-AGUYFDCRSA-N 0 3 370.413 1.921 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178822330 258336366 /nfs/dbraw/zinc/33/63/66/258336366.db2.gz BKHHNPMRQDJTKX-OAHLLOKOSA-N 0 3 362.430 1.496 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000178920543 258339748 /nfs/dbraw/zinc/33/97/48/258339748.db2.gz QKNAMJAHGSUAHX-VIFPVBQESA-N 0 3 364.221 1.388 20 5 FDBDHN COC(=O)Cn1cc(CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000178922384 258339981 /nfs/dbraw/zinc/33/99/81/258339981.db2.gz UCADWFBHADYCKM-UHFFFAOYSA-N 0 3 361.402 1.812 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000178978855 258341419 /nfs/dbraw/zinc/34/14/19/258341419.db2.gz LFYLKHQJYVOVMD-IAQYHMDHSA-N 0 3 357.432 1.789 20 5 FDBDHN COc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265914420 258418589 /nfs/dbraw/zinc/41/85/89/258418589.db2.gz ACVHLLXHSYKZCX-GFCCVEGCSA-N 0 3 353.375 1.015 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000554336285 543786155 /nfs/dbraw/zinc/78/61/55/543786155.db2.gz YUNCQNVQGLUDOB-OCCSQVGLSA-N 0 3 360.414 1.078 20 5 FDBDHN COc1cc(CCNC(=O)CN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000554602622 543834389 /nfs/dbraw/zinc/83/43/89/543834389.db2.gz YTAVMANTSXEUKR-GFCCVEGCSA-N 0 3 351.403 1.613 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557906451 544361316 /nfs/dbraw/zinc/36/13/16/544361316.db2.gz NEDZQRZKXSCMNB-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN Cc1n[n-]c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000299559742 259006292 /nfs/dbraw/zinc/00/62/92/259006292.db2.gz SXMMUTXGZDQIJX-GFCCVEGCSA-N 0 3 373.413 1.777 20 5 FDBDHN Cc1n[n-]c(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000299559742 259006293 /nfs/dbraw/zinc/00/62/93/259006293.db2.gz SXMMUTXGZDQIJX-GFCCVEGCSA-N 0 3 373.413 1.777 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000301381237 259027244 /nfs/dbraw/zinc/02/72/44/259027244.db2.gz ZFKGALKUVINBRE-QGZVFWFLSA-N 0 3 363.462 1.638 20 5 FDBDHN CN(C)C1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000301858034 259034656 /nfs/dbraw/zinc/03/46/56/259034656.db2.gz BLHMCSVINDFZRV-UHFFFAOYSA-N 0 3 368.459 1.520 20 5 FDBDHN Cc1cc(NC[C@](C)(O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302211209 259040038 /nfs/dbraw/zinc/04/00/38/259040038.db2.gz YPKCUYICDBNKHN-SFHVURJKSA-N 0 3 360.414 1.947 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c([N+](=O)[O-])n1 ZINC000330462962 259145759 /nfs/dbraw/zinc/14/57/59/259145759.db2.gz YYCGLNDNNXGBAM-GFCCVEGCSA-N 0 3 359.452 1.306 20 5 FDBDHN CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1 ZINC000331424264 259194790 /nfs/dbraw/zinc/19/47/90/259194790.db2.gz LEHKDKNQSUCPMB-NSHDSACASA-N 0 3 366.443 1.471 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000332547722 259276084 /nfs/dbraw/zinc/27/60/84/259276084.db2.gz NZLHPXYZAKKTEZ-HUUCEWRRSA-N 0 3 361.446 1.909 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367297971 260022830 /nfs/dbraw/zinc/02/28/30/260022830.db2.gz GRKXKINDOPLYGO-INIZCTEOSA-N 0 3 350.394 1.648 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC000368157896 260142583 /nfs/dbraw/zinc/14/25/83/260142583.db2.gz FOBGFYIQWDBFOI-GOEBONIOSA-N 0 3 350.350 1.445 20 5 FDBDHN Cc1noc(C)c1CO[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000368848466 260247614 /nfs/dbraw/zinc/24/76/14/260247614.db2.gz XEFLZJPWFSOPGH-GJZGRUSLSA-N 0 3 365.390 1.048 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368951506 260266037 /nfs/dbraw/zinc/26/60/37/260266037.db2.gz RBZRVGXEJARUFO-OAHLLOKOSA-N 0 3 364.446 1.702 20 5 FDBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000369226758 260316357 /nfs/dbraw/zinc/31/63/57/260316357.db2.gz MTACOAUYQUADBB-HOCLYGCPSA-N 0 3 361.402 1.078 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369567852 260392706 /nfs/dbraw/zinc/39/27/06/260392706.db2.gz IYDKJSHGMXHJES-BLLLJJGKSA-N 0 3 363.443 1.970 20 5 FDBDHN CCCn1nccc1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000374316151 261109081 /nfs/dbraw/zinc/10/90/81/261109081.db2.gz NXMANPPYHOULDQ-MRXNPFEDSA-N 0 3 362.434 1.638 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375024871 261251005 /nfs/dbraw/zinc/25/10/05/261251005.db2.gz YJFQBTCSJCLJQK-GUYCJALGSA-N 0 3 362.430 1.958 20 5 FDBDHN Cc1nc(CO[C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375395358 261330224 /nfs/dbraw/zinc/33/02/24/261330224.db2.gz RYUXYAVJFJGZIQ-LSDHHAIUSA-N 0 3 367.431 1.208 20 5 FDBDHN CN1CC[C@@H]2CCN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000378456882 262029617 /nfs/dbraw/zinc/02/96/17/262029617.db2.gz UTFGKHXYISSVMF-WQVCFCJDSA-N 0 3 358.398 1.253 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000027960535 519205951 /nfs/dbraw/zinc/20/59/51/519205951.db2.gz DBKOZDAVSJSXDO-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCN(Cc2ccccc2)CC1 ZINC000031672597 519454311 /nfs/dbraw/zinc/45/43/11/519454311.db2.gz MDOIPTDCIVETQJ-UHFFFAOYSA-N 0 3 370.409 1.491 20 5 FDBDHN CN1CCN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000056326926 521837315 /nfs/dbraw/zinc/83/73/15/521837315.db2.gz DRDSRYVHLKHMTE-UHFFFAOYSA-N 0 3 357.414 1.600 20 5 FDBDHN CC(C)CN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000049970418 522870537 /nfs/dbraw/zinc/87/05/37/522870537.db2.gz PTSQFVCDMDTHKX-UHFFFAOYSA-N 0 3 364.402 1.536 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000066047242 522941322 /nfs/dbraw/zinc/94/13/22/522941322.db2.gz SLUUXUVMMFPVSD-UHFFFAOYSA-N 0 3 361.402 1.357 20 5 FDBDHN CN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000076268182 523058648 /nfs/dbraw/zinc/05/86/48/523058648.db2.gz LKRRWCDROWOQOZ-UHFFFAOYSA-N 0 3 357.418 1.327 20 5 FDBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000076678271 523166170 /nfs/dbraw/zinc/16/61/70/523166170.db2.gz LRTANSXHXZBSSL-INIZCTEOSA-N 0 3 371.445 1.758 20 5 FDBDHN COc1cc(CCNC(=O)N[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000052519389 523188682 /nfs/dbraw/zinc/18/86/82/523188682.db2.gz RQTIEUUGGSFNGF-CYBMUJFWSA-N 0 3 366.418 1.548 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000052777179 523268140 /nfs/dbraw/zinc/26/81/40/523268140.db2.gz SXTLFUOYXAJJEC-UHFFFAOYSA-N 0 3 357.414 1.834 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000067795961 523587912 /nfs/dbraw/zinc/58/79/12/523587912.db2.gz XLUMUCDKFAQKDU-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CN(CC(=O)NCCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000079538593 523763103 /nfs/dbraw/zinc/76/31/03/523763103.db2.gz WRHCMMWODFKTEU-UHFFFAOYSA-N 0 3 363.462 1.175 20 5 FDBDHN CCCc1n[nH]c(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000081997362 524206305 /nfs/dbraw/zinc/20/63/05/524206305.db2.gz KPRSYXUAXVZPAL-UHFFFAOYSA-N 0 3 367.450 1.890 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000136866801 524216365 /nfs/dbraw/zinc/21/63/65/524216365.db2.gz NZXQDLASQXISKN-CYBMUJFWSA-N 0 3 353.444 1.845 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000121704195 524334664 /nfs/dbraw/zinc/33/46/64/524334664.db2.gz LQJJLRNUPXDGJZ-KGLIPLIRSA-N 0 3 360.414 1.845 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)COCc3ccco3)C2)nc1 ZINC000122282864 524498365 /nfs/dbraw/zinc/49/83/65/524498365.db2.gz IAXRQFUUHYXQEF-ZFWWWQNUSA-N 0 3 362.386 1.647 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000150934718 524507134 /nfs/dbraw/zinc/50/71/34/524507134.db2.gz XMCZFDQZPLYXBS-UHFFFAOYSA-N 0 3 358.402 1.943 20 5 FDBDHN CCN1CCN(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000112918026 524595762 /nfs/dbraw/zinc/59/57/62/524595762.db2.gz HTRLHMUKFLRYNF-UHFFFAOYSA-N 0 3 361.446 1.536 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCS1(=O)=O ZINC000090466386 524597389 /nfs/dbraw/zinc/59/73/89/524597389.db2.gz KFYAKFNRWLLXQS-BXUZGUMPSA-N 0 3 355.416 1.479 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151604001 524626962 /nfs/dbraw/zinc/62/69/62/524626962.db2.gz WWNKDPNXMXWANY-ZDUSSCGKSA-N 0 3 369.443 1.710 20 5 FDBDHN COc1ccc(OC)c([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174666153 524681671 /nfs/dbraw/zinc/68/16/71/524681671.db2.gz FCJCDVYOJHGBIP-YPMHNXCESA-N 0 3 350.375 1.520 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OCc3ccccc3)CC2)c1 ZINC000174700177 524696899 /nfs/dbraw/zinc/69/68/99/524696899.db2.gz WUZCLLRSFSDBIY-QGZVFWFLSA-N 0 3 360.414 1.833 20 5 FDBDHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174710555 524699239 /nfs/dbraw/zinc/69/92/39/524699239.db2.gz LJFVVMFTIQPYCU-YOEHRIQHSA-N 0 3 373.413 1.503 20 5 FDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721533 524708859 /nfs/dbraw/zinc/70/88/59/524708859.db2.gz HDDTZPORWKHTFY-SJCJKPOMSA-N 0 3 373.413 1.852 20 5 FDBDHN O=C(Nc1ccccc1O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174812487 524747444 /nfs/dbraw/zinc/74/74/44/524747444.db2.gz HBXLORGQYUYISD-UHFFFAOYSA-N 0 3 359.386 1.848 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000174833289 524753593 /nfs/dbraw/zinc/75/35/93/524753593.db2.gz KYTWNDQAZGDOJK-UHFFFAOYSA-N 0 3 365.356 1.378 20 5 FDBDHN C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114380028 524782603 /nfs/dbraw/zinc/78/26/03/524782603.db2.gz SNIZFEAGUASWDN-OAHLLOKOSA-N 0 3 364.446 1.363 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000152324484 524846678 /nfs/dbraw/zinc/84/66/78/524846678.db2.gz WZNNIUPPIMKEOU-UHFFFAOYSA-N 0 3 368.390 1.818 20 5 FDBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000115438240 524994888 /nfs/dbraw/zinc/99/48/88/524994888.db2.gz WGNSFKAXGQWODH-CQSZACIVSA-N 0 3 372.429 1.898 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115586369 525029907 /nfs/dbraw/zinc/02/99/07/525029907.db2.gz HVOCQXYAGZQCDN-LBPRGKRZSA-N 0 3 357.432 1.566 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000161666372 525148332 /nfs/dbraw/zinc/14/83/32/525148332.db2.gz GHSPUIJMVJDJRB-OAHLLOKOSA-N 0 3 371.459 1.274 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CCC[C@@H]1CO ZINC000161717328 525157471 /nfs/dbraw/zinc/15/74/71/525157471.db2.gz XBFBKXKQQHISKM-OAHLLOKOSA-N 0 3 371.459 1.418 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC2Cc3ccccc3C2)cc1 ZINC000161967722 525194075 /nfs/dbraw/zinc/19/40/75/525194075.db2.gz GTEKNRIRBGTNDE-UHFFFAOYSA-N 0 3 361.423 1.630 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000125863088 525245773 /nfs/dbraw/zinc/24/57/73/525245773.db2.gz UKXAYXJZGNIGRK-MRXNPFEDSA-N 0 3 359.430 1.779 20 5 FDBDHN CN1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CN)C1 ZINC000162500141 525269038 /nfs/dbraw/zinc/26/90/38/525269038.db2.gz MWAIGHMGRKMYGU-CYBMUJFWSA-N 0 3 361.427 1.433 20 5 FDBDHN NC(=O)CC1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000117335725 525322332 /nfs/dbraw/zinc/32/23/32/525322332.db2.gz FGMBMYAEQMQRHD-UHFFFAOYSA-N 0 3 362.386 1.480 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1C ZINC000104102807 525390223 /nfs/dbraw/zinc/39/02/23/525390223.db2.gz VIMOVXAWSFLGOS-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000127965801 525485713 /nfs/dbraw/zinc/48/57/13/525485713.db2.gz LQWLLMIZHMLMET-HNNXBMFYSA-N 0 3 364.446 1.726 20 5 FDBDHN CN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128449981 525543518 /nfs/dbraw/zinc/54/35/18/525543518.db2.gz MRBVDBSDMVGSKU-UHFFFAOYSA-N 0 3 362.430 1.599 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639634 525651776 /nfs/dbraw/zinc/65/17/76/525651776.db2.gz REKXZJRIBULVBF-ZDUSSCGKSA-N 0 3 361.446 1.917 20 5 FDBDHN CC(C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000180053161 525653587 /nfs/dbraw/zinc/65/35/87/525653587.db2.gz VTMKZBGJOCIVQS-INIZCTEOSA-N 0 3 351.403 1.447 20 5 FDBDHN CC(C)(O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000171155797 525874407 /nfs/dbraw/zinc/87/44/07/525874407.db2.gz XDTOTZSATCEUOV-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN CSc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000171444603 525994656 /nfs/dbraw/zinc/99/46/56/525994656.db2.gz JSTATMHTMMOKNG-UHFFFAOYSA-N 0 3 352.460 1.684 20 5 FDBDHN Cc1cn2c(n1)CC[C@@H](N[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147086 526081814 /nfs/dbraw/zinc/08/18/14/526081814.db2.gz SNMFXWMUVGWMBD-CJNGLKHVSA-N 0 3 355.398 1.810 20 5 FDBDHN C[C@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C1CC1 ZINC000171697095 526081942 /nfs/dbraw/zinc/08/19/42/526081942.db2.gz QPKGTTVUDBNNDR-CQSZACIVSA-N 0 3 361.446 1.909 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171899017 526171716 /nfs/dbraw/zinc/17/17/16/526171716.db2.gz QWKWDFALSVJVSN-CQSZACIVSA-N 0 3 365.434 1.417 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000182767827 535860890 /nfs/dbraw/zinc/86/08/90/535860890.db2.gz SJPJUISILUMXQC-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN CCN1CCN(CCCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185000454 536195333 /nfs/dbraw/zinc/19/53/33/536195333.db2.gz VIPKKAQFPGGIRL-AWEZNQCLSA-N 0 3 366.437 1.981 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185007100 536195718 /nfs/dbraw/zinc/19/57/18/536195718.db2.gz SYWZVJVLHFMNLE-KGLIPLIRSA-N 0 3 366.437 1.980 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000188079636 536282121 /nfs/dbraw/zinc/28/21/21/536282121.db2.gz DFPMRSLDMJEWKY-SFHVURJKSA-N 0 3 359.382 1.897 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188678502 536925633 /nfs/dbraw/zinc/92/56/33/536925633.db2.gz GLCPSMSHTPWUIP-LBPRGKRZSA-N 0 3 368.393 1.633 20 5 FDBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000246446048 536956235 /nfs/dbraw/zinc/95/62/35/536956235.db2.gz OGBGHSNJGBBFNS-DOTOQJQBSA-N 0 3 374.441 1.544 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246844108 537036998 /nfs/dbraw/zinc/03/69/98/537036998.db2.gz CGYCZBAIBSTDCG-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247083389 537079828 /nfs/dbraw/zinc/07/98/28/537079828.db2.gz OYNWPLRBAHTAHW-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CCN(C2CC2)CC1 ZINC000247345198 537111021 /nfs/dbraw/zinc/11/10/21/537111021.db2.gz BDSPDIPSBZDEDO-UHFFFAOYSA-N 0 3 371.397 1.048 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCN(C)C)cc2)n1 ZINC000191799058 537212682 /nfs/dbraw/zinc/21/26/82/537212682.db2.gz FRNSXQYLSQKPRT-UHFFFAOYSA-N 0 3 361.402 1.682 20 5 FDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000293134873 537363584 /nfs/dbraw/zinc/36/35/84/537363584.db2.gz WDALOXMLFSHNBU-UHFFFAOYSA-N 0 3 366.237 1.587 20 5 FDBDHN CN1CC=C(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000273000792 537373839 /nfs/dbraw/zinc/37/38/39/537373839.db2.gz VCSCVNLDTALFMK-UHFFFAOYSA-N 0 3 352.778 1.565 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270813190 537381718 /nfs/dbraw/zinc/38/17/18/537381718.db2.gz HIKGPOMOAINGRD-GJZGRUSLSA-N 0 3 358.398 1.536 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000293633900 537545002 /nfs/dbraw/zinc/54/50/02/537545002.db2.gz FOXDTSGCLSOEBT-GOSISDBHSA-N 0 3 355.398 1.948 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000228303966 537572754 /nfs/dbraw/zinc/57/27/54/537572754.db2.gz GWQAOIBQRTUREP-GOEBONIOSA-N 0 3 370.409 1.708 20 5 FDBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000326773725 537631006 /nfs/dbraw/zinc/63/10/06/537631006.db2.gz RSCFADAAHCNKIM-UHFFFAOYSA-N 0 3 357.407 1.983 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000326801556 537631668 /nfs/dbraw/zinc/63/16/68/537631668.db2.gz CIZGHUQJCUSJQJ-NSHDSACASA-N 0 3 371.415 1.002 20 5 FDBDHN COC(=O)c1cc(C(=O)Nc2ccnn2CCN(C)C)cc([N+](=O)[O-])c1 ZINC000294207078 537674230 /nfs/dbraw/zinc/67/42/30/537674230.db2.gz VJHUUHUWFBQTEJ-UHFFFAOYSA-N 0 3 361.358 1.392 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285415374 537706706 /nfs/dbraw/zinc/70/67/06/537706706.db2.gz BPHZFPXVMSOXSW-OIISXLGYSA-N 0 3 365.430 1.130 20 5 FDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292663525 537753159 /nfs/dbraw/zinc/75/31/59/537753159.db2.gz AMSJKNZUWJTMBX-MRXNPFEDSA-N 0 3 353.444 1.842 20 5 FDBDHN COC(=O)C[C@@]1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000411544387 537767164 /nfs/dbraw/zinc/76/71/64/537767164.db2.gz NXWCFNGRYLJQKW-INIZCTEOSA-N 0 3 351.359 1.235 20 5 FDBDHN COCCNC(=O)C1(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414198753 537770459 /nfs/dbraw/zinc/77/04/59/537770459.db2.gz CHJMHYXRESBWSI-GFCCVEGCSA-N 0 3 364.402 1.197 20 5 FDBDHN COc1ccc2c(c1)[C@@H](C)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000366769148 537852502 /nfs/dbraw/zinc/85/25/02/537852502.db2.gz LZNTXYBVONRHDA-BBRMVZONSA-N 0 3 360.414 1.823 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000377903155 538040309 /nfs/dbraw/zinc/04/03/09/538040309.db2.gz DZOROKZOWKRDFJ-KRWDZBQOSA-N 0 3 363.393 1.504 20 5 FDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452369319 538383950 /nfs/dbraw/zinc/38/39/50/538383950.db2.gz RQQOMIQIAILLAS-AWEZNQCLSA-N 0 3 351.403 1.245 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431570089 538408443 /nfs/dbraw/zinc/40/84/43/538408443.db2.gz LHNXLQNVBDJORP-OAHLLOKOSA-N 0 3 364.446 1.424 20 5 FDBDHN CN(CCN1CCCC1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000468977614 538770495 /nfs/dbraw/zinc/77/04/95/538770495.db2.gz LXWSUEITDSPAJU-UHFFFAOYSA-N 0 3 374.397 1.416 20 5 FDBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000484648011 538794768 /nfs/dbraw/zinc/79/47/68/538794768.db2.gz ZLVPJMMHSNHINH-HZUKXOBISA-N 0 3 367.402 1.714 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000469562886 538799274 /nfs/dbraw/zinc/79/92/74/538799274.db2.gz YLFBWMDUMRJHPV-UHFFFAOYSA-N 0 3 364.402 1.348 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000469859827 538817179 /nfs/dbraw/zinc/81/71/79/538817179.db2.gz DIUASGSCUZETKB-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN COc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000498320895 538823616 /nfs/dbraw/zinc/82/36/16/538823616.db2.gz CNIVTGCGLRBFTJ-UHFFFAOYSA-N 0 3 351.403 1.786 20 5 FDBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476362608 538865436 /nfs/dbraw/zinc/86/54/36/538865436.db2.gz GABWZBZDUJYQTC-HNNXBMFYSA-N 0 3 372.429 1.850 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000561999877 546006363 /nfs/dbraw/zinc/00/63/63/546006363.db2.gz BUBMLXVIJSQSSG-UKRRQHHQSA-N 0 3 374.441 1.685 20 5 FDBDHN COc1ccc(CN2CCC(CNC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc1 ZINC000562399814 546123969 /nfs/dbraw/zinc/12/39/69/546123969.db2.gz SRPWWRCLYUNJOB-UHFFFAOYSA-N 0 3 373.413 1.969 20 5 FDBDHN O=C1CCCN1Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562987669 546343505 /nfs/dbraw/zinc/34/35/05/546343505.db2.gz IXWROPYNHHPWOU-QGZVFWFLSA-N 0 3 373.413 1.064 20 5 FDBDHN CCN1CCCC[C@@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000563266824 546472418 /nfs/dbraw/zinc/47/24/18/546472418.db2.gz AGCWMTWPLIWJQL-MRXNPFEDSA-N 0 3 372.429 1.941 20 5 FDBDHN O=C(CN[C@@H](CO)C1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564001909 546769814 /nfs/dbraw/zinc/76/98/14/546769814.db2.gz CNZJDNIZORHLNS-ZDUSSCGKSA-N 0 3 357.794 1.564 20 5 FDBDHN C[C@H]([C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000565887547 547520526 /nfs/dbraw/zinc/52/05/26/547520526.db2.gz UVQCIAWEOGTJBH-UONOGXRCSA-N 0 3 371.459 1.067 20 5 FDBDHN CC(C)C(=O)Nc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566108565 547606727 /nfs/dbraw/zinc/60/67/27/547606727.db2.gz GSYLJFSNAMREJQ-MRXNPFEDSA-N 0 3 361.402 1.537 20 5 FDBDHN CNc1nccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000566443956 547759503 /nfs/dbraw/zinc/75/95/03/547759503.db2.gz GFXGUJCVWMDICQ-UHFFFAOYSA-N 0 3 373.413 2.361 20 5 FDBDHN CNc1nccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000566462298 547769621 /nfs/dbraw/zinc/76/96/21/547769621.db2.gz TZEDFIPDDKJVKD-HNNXBMFYSA-N 0 3 373.413 2.073 20 5 FDBDHN CSC1(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000566533778 547796662 /nfs/dbraw/zinc/79/66/62/547796662.db2.gz BDUUHSNBGNQQTA-UHFFFAOYSA-N 0 3 366.487 1.975 20 5 FDBDHN CCOc1ccc([C@H](C)NCC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000566988780 547955283 /nfs/dbraw/zinc/95/52/83/547955283.db2.gz HWRNFRBTPRPHSY-LBPRGKRZSA-N 0 3 372.443 1.584 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccnc4ccccc43)CC2)n1 ZINC000568146634 548414332 /nfs/dbraw/zinc/41/43/32/548414332.db2.gz USZQYQUYDGFDJQ-UHFFFAOYSA-N 0 3 366.381 1.839 20 5 FDBDHN O=C1NCCc2ccc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc21 ZINC000568503165 548563095 /nfs/dbraw/zinc/56/30/95/548563095.db2.gz BORUIJHWQMCCEI-MRXNPFEDSA-N 0 3 371.393 1.410 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000568896802 548725103 /nfs/dbraw/zinc/72/51/03/548725103.db2.gz QBFIMDRJIFFLRX-KBPBESRZSA-N 0 3 366.466 1.818 20 5 FDBDHN CN(C)C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000569283981 548861063 /nfs/dbraw/zinc/86/10/63/548861063.db2.gz SMRCUJCSATYANR-ZDUSSCGKSA-N 0 3 365.821 1.906 20 5 FDBDHN CC(C)Oc1nc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000569744094 549034646 /nfs/dbraw/zinc/03/46/46/549034646.db2.gz JSWKENCQQHYRHI-AWEZNQCLSA-N 0 3 350.419 1.936 20 5 FDBDHN Cc1ccc(C[C@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570720531 549388526 /nfs/dbraw/zinc/38/85/26/549388526.db2.gz HCVVSUUCPJLQIB-SJORKVTESA-N 0 3 360.410 1.836 20 5 FDBDHN CN(C)CCOc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1F ZINC000573458285 550142631 /nfs/dbraw/zinc/14/26/31/550142631.db2.gz OJEYLMCZZNIUAD-UHFFFAOYSA-N 0 3 363.349 1.904 20 5 FDBDHN CN(C)C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000573951553 550237106 /nfs/dbraw/zinc/23/71/06/550237106.db2.gz CKGXJNPAIJEVNO-CYBMUJFWSA-N 0 3 365.821 1.906 20 5 FDBDHN CN1CCN(C)c2cc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2C1 ZINC000575742796 550470765 /nfs/dbraw/zinc/47/07/65/550470765.db2.gz TURMVVRBHMEEDC-MRXNPFEDSA-N 0 3 360.418 1.146 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000576622486 550569130 /nfs/dbraw/zinc/56/91/30/550569130.db2.gz KKYLXMMBDZGCEF-CHWSQXEVSA-N 0 3 350.419 1.956 20 5 FDBDHN CO[C@H]1COCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577098989 550620585 /nfs/dbraw/zinc/62/05/85/550620585.db2.gz QWDCLKVZWMHXJW-DOMZBBRYSA-N 0 3 358.416 1.010 20 5 FDBDHN NC(=O)NC(=O)CCNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000577172506 550628057 /nfs/dbraw/zinc/62/80/57/550628057.db2.gz XKPSXMCFAVOABF-UHFFFAOYSA-N 0 3 363.296 1.200 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000577890407 550706162 /nfs/dbraw/zinc/70/61/62/550706162.db2.gz GEAYYUBBOQTBBO-CQSZACIVSA-N 0 3 353.444 1.841 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000578368438 550757087 /nfs/dbraw/zinc/75/70/87/550757087.db2.gz QDMYYQJCOPYSEB-XJKSGUPXSA-N 0 3 353.444 1.986 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000578543661 550775375 /nfs/dbraw/zinc/77/53/75/550775375.db2.gz FNDBYCVQUGVUME-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579559844 550885512 /nfs/dbraw/zinc/88/55/12/550885512.db2.gz FQQWWWXEIHNFTO-UHFFFAOYSA-N 0 3 358.402 1.943 20 5 FDBDHN CNc1nccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000582369911 551214459 /nfs/dbraw/zinc/21/44/59/551214459.db2.gz ZBEILABUWLEUIJ-CQSZACIVSA-N 0 3 371.397 1.850 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)c2ccccc2)cc1 ZINC000582785502 551266990 /nfs/dbraw/zinc/26/69/90/551266990.db2.gz FSVNXJZYVNZAEI-OAHLLOKOSA-N 0 3 364.423 1.734 20 5 FDBDHN COCCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587510521 551632089 /nfs/dbraw/zinc/63/20/89/551632089.db2.gz JVIGFYUBVONGNJ-UHFFFAOYSA-N 0 3 363.418 1.308 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588071891 551644444 /nfs/dbraw/zinc/64/44/44/551644444.db2.gz MUBNTHDDSSLIFM-STQMWFEESA-N 0 3 359.430 1.848 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000589210626 551717604 /nfs/dbraw/zinc/71/76/04/551717604.db2.gz QNKIIJIKPTXHIN-COPLHBTASA-N 0 3 355.416 1.335 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000589401316 551727399 /nfs/dbraw/zinc/72/73/99/551727399.db2.gz DTQPNHUVIICGKU-CQSZACIVSA-N 0 3 360.414 1.696 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000589401315 551727413 /nfs/dbraw/zinc/72/74/13/551727413.db2.gz DTQPNHUVIICGKU-AWEZNQCLSA-N 0 3 360.414 1.696 20 5 FDBDHN COCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000589937814 551752979 /nfs/dbraw/zinc/75/29/79/551752979.db2.gz XFILPIZKUODPET-UHFFFAOYSA-N 0 3 352.387 1.899 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000590442320 551784734 /nfs/dbraw/zinc/78/47/34/551784734.db2.gz FKAFMPHMXWGUBI-WFASDCNBSA-N 0 3 374.397 1.445 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000590538746 551789764 /nfs/dbraw/zinc/78/97/64/551789764.db2.gz RNJWQYKFHJZNNP-SFHVURJKSA-N 0 3 373.413 1.309 20 5 FDBDHN CSc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000590550873 551791307 /nfs/dbraw/zinc/79/13/07/551791307.db2.gz SVNIDOAZBUWNFT-CHWSQXEVSA-N 0 3 351.428 1.598 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCN1CCCO)OCCO2 ZINC000590654835 551801752 /nfs/dbraw/zinc/80/17/52/551801752.db2.gz KVTDNQADUUKTON-AWEZNQCLSA-N 0 3 351.403 1.302 20 5 FDBDHN O=C(Nc1cnc2c(c1)CNCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000591311098 551860535 /nfs/dbraw/zinc/86/05/35/551860535.db2.gz UJOHDDSGOLDWDH-UHFFFAOYSA-N 0 3 369.381 1.931 20 5 FDBDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000591910437 551915943 /nfs/dbraw/zinc/91/59/43/551915943.db2.gz CVPCLYOTROBODV-CHWSQXEVSA-N 0 3 363.418 1.417 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592259444 551968784 /nfs/dbraw/zinc/96/87/84/551968784.db2.gz DSKVEBZBAZQVEP-GFCCVEGCSA-N 0 3 363.418 1.741 20 5 FDBDHN Cc1c(-c2nc([C@@H]3CCCN3)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592356740 551984059 /nfs/dbraw/zinc/98/40/59/551984059.db2.gz HLIRVVJQENJXLQ-JTQLQIEISA-N 0 3 353.360 1.025 20 5 FDBDHN CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@]1(O)CCOC1 ZINC000592374999 551985839 /nfs/dbraw/zinc/98/58/39/551985839.db2.gz PBIKGJQQTOVLLJ-KRWDZBQOSA-N 0 3 352.387 1.633 20 5 FDBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592490419 552001384 /nfs/dbraw/zinc/00/13/84/552001384.db2.gz COTUASIFMHTDNS-ZDUSSCGKSA-N 0 3 370.793 1.024 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592523749 552004703 /nfs/dbraw/zinc/00/47/03/552004703.db2.gz ALXLZFUECLXQEO-LLVKDONJSA-N 0 3 372.372 1.748 20 5 FDBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535439 552125528 /nfs/dbraw/zinc/12/55/28/552125528.db2.gz KQFIZHJTKFPNID-LBPRGKRZSA-N 0 3 356.448 1.779 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594201705 552263834 /nfs/dbraw/zinc/26/38/34/552263834.db2.gz PUWDSDDIWWTVRX-DLBZAZTESA-N 0 3 374.441 1.848 20 5 FDBDHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594299380 552281781 /nfs/dbraw/zinc/28/17/81/552281781.db2.gz IAYWWBDXNHTPSX-CQSZACIVSA-N 0 3 360.414 1.221 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594326721 552288937 /nfs/dbraw/zinc/28/89/37/552288937.db2.gz QOOOQWGTNNVHRW-HOCLYGCPSA-N 0 3 360.414 1.975 20 5 FDBDHN CCC(C)(C)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000594593896 552338486 /nfs/dbraw/zinc/33/84/86/552338486.db2.gz GHYMEPRBNWMTKI-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000594775883 552380320 /nfs/dbraw/zinc/38/03/20/552380320.db2.gz MQONMLLNMRGVOI-JSGCOSHPSA-N 0 3 366.443 1.627 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C ZINC000594821857 552398919 /nfs/dbraw/zinc/39/89/19/552398919.db2.gz OXYDRVKQFHGDAI-UHFFFAOYSA-N 0 3 358.464 1.065 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257588 552506393 /nfs/dbraw/zinc/50/63/93/552506393.db2.gz LWVKQRGCAIONBK-OAHLLOKOSA-N 0 3 358.354 1.056 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000595469620 552567894 /nfs/dbraw/zinc/56/78/94/552567894.db2.gz RJQMAISINJSPBC-KRWDZBQOSA-N 0 3 362.430 1.690 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595593868 552589935 /nfs/dbraw/zinc/58/99/35/552589935.db2.gz AVCYUZCQYJRDJV-ZWKOTPCHSA-N 0 3 360.410 1.870 20 5 FDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595828037 552620470 /nfs/dbraw/zinc/62/04/70/552620470.db2.gz HLBZYGNWBPCJMO-HUUCEWRRSA-N 0 3 363.414 1.279 20 5 FDBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596053115 552650406 /nfs/dbraw/zinc/65/04/06/552650406.db2.gz WOWUZYQKLCVNGN-NSHDSACASA-N 0 3 355.338 1.722 20 5 FDBDHN NC(=O)c1cc(NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596144950 552659748 /nfs/dbraw/zinc/65/97/48/552659748.db2.gz JNEKNFVDUBVBKD-LJQANCHMSA-N 0 3 370.409 1.743 20 5 FDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000596178122 552662275 /nfs/dbraw/zinc/66/22/75/552662275.db2.gz HYMHFCMKDGANAI-CZUORRHYSA-N 0 3 361.446 1.156 20 5 FDBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1CCOC ZINC000596176527 552662349 /nfs/dbraw/zinc/66/23/49/552662349.db2.gz HQMWZTLCXPIOGB-CQSZACIVSA-N 0 3 350.419 1.631 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000596836436 552716121 /nfs/dbraw/zinc/71/61/21/552716121.db2.gz JYQFCNHIJCPMIL-UHFFFAOYSA-N 0 3 365.434 1.695 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597049827 552739376 /nfs/dbraw/zinc/73/93/76/552739376.db2.gz YMYODLDPPUZJTJ-SWLSCSKDSA-N 0 3 355.416 1.030 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)n1 ZINC000597097584 552746459 /nfs/dbraw/zinc/74/64/59/552746459.db2.gz OKNVQXJSEKBMMN-UHFFFAOYSA-N 0 3 367.797 2.233 20 5 FDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597575306 552807239 /nfs/dbraw/zinc/80/72/39/552807239.db2.gz XACZUQZXGVBUDV-MRXNPFEDSA-N 0 3 373.356 1.725 20 5 FDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000597716715 552825866 /nfs/dbraw/zinc/82/58/66/552825866.db2.gz SGBXCTMHGSBEOQ-SFHVURJKSA-N 0 3 370.413 1.733 20 5 FDBDHN COc1cc(OCC(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859348 552841699 /nfs/dbraw/zinc/84/16/99/552841699.db2.gz VBZSYVVMJPUSNQ-GFCCVEGCSA-N 0 3 351.403 1.971 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCC[C@H](C)N(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000597999177 552855279 /nfs/dbraw/zinc/85/52/79/552855279.db2.gz QVSAQEXIRDWWST-LBPRGKRZSA-N 0 3 373.413 1.519 20 5 FDBDHN CCCN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000598466215 552899563 /nfs/dbraw/zinc/89/95/63/552899563.db2.gz NZAJRXCCCJSUGO-UHFFFAOYSA-N 0 3 371.459 1.849 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536149 552906964 /nfs/dbraw/zinc/90/69/64/552906964.db2.gz MZVNAEPGMHDODT-LBPRGKRZSA-N 0 3 365.434 1.596 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598536149 552906966 /nfs/dbraw/zinc/90/69/66/552906966.db2.gz MZVNAEPGMHDODT-LBPRGKRZSA-N 0 3 365.434 1.596 20 5 FDBDHN CN(C)[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1 ZINC000598587380 552911949 /nfs/dbraw/zinc/91/19/49/552911949.db2.gz PHWPULKUZGMIGC-HNNXBMFYSA-N 0 3 372.429 1.936 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598624808 552917317 /nfs/dbraw/zinc/91/73/17/552917317.db2.gz HNADOXMVWISEQU-UONOGXRCSA-N 0 3 362.434 1.284 20 5 FDBDHN Cc1ccc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598719789 552928015 /nfs/dbraw/zinc/92/80/15/552928015.db2.gz IQQXLGUZHKCNRD-SNVBAGLBSA-N 0 3 355.338 1.722 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598902576 552942064 /nfs/dbraw/zinc/94/20/64/552942064.db2.gz PESHHBDJEPENQX-IUODEOHRSA-N 0 3 361.402 1.269 20 5 FDBDHN CN1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598972621 552952990 /nfs/dbraw/zinc/95/29/90/552952990.db2.gz VAPWQMQIUHHZND-CYBMUJFWSA-N 0 3 355.460 1.831 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000599069724 552964652 /nfs/dbraw/zinc/96/46/52/552964652.db2.gz IQJCNDGIQNVMKI-SWLSCSKDSA-N 0 3 365.397 1.888 20 5 FDBDHN CN1CCCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599415373 553051871 /nfs/dbraw/zinc/05/18/71/553051871.db2.gz NUXQTYCVSBSRTK-AWEZNQCLSA-N 0 3 355.460 1.789 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCCF)CC1 ZINC000599672876 553118868 /nfs/dbraw/zinc/11/88/68/553118868.db2.gz XMJMGAZYZZCPKT-UHFFFAOYSA-N 0 3 368.409 1.909 20 5 FDBDHN C[C@H](C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599939242 553179585 /nfs/dbraw/zinc/17/95/85/553179585.db2.gz UCASIEIIRNVHFD-UBHSHLNASA-N 0 3 351.378 1.505 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600473958 553273717 /nfs/dbraw/zinc/27/37/17/553273717.db2.gz VTEUFHCLTOLJOR-INIZCTEOSA-N 0 3 374.441 1.766 20 5 FDBDHN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCN(CC3CC3)C2)C1=O ZINC000600692713 553301829 /nfs/dbraw/zinc/30/18/29/553301829.db2.gz FEMBXYUHNNKLPO-CRAIPNDOSA-N 0 3 358.398 1.846 20 5 FDBDHN CN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCC1 ZINC000600817179 553318247 /nfs/dbraw/zinc/31/82/47/553318247.db2.gz WEFSSLMVVZIVND-UHFFFAOYSA-N 0 3 366.443 1.425 20 5 FDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000601421917 553401471 /nfs/dbraw/zinc/40/14/71/553401471.db2.gz NAFWNCSIBWIBDI-RISCZKNCSA-N 0 3 364.427 1.856 20 5 FDBDHN O=C(NC[C@H]1CCCCN1CCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601613175 553445468 /nfs/dbraw/zinc/44/54/68/553445468.db2.gz OMXSDNRVYUNYKZ-QGZVFWFLSA-N 0 3 361.442 1.980 20 5 FDBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000601849629 553480729 /nfs/dbraw/zinc/48/07/29/553480729.db2.gz IIXOWNMJUUUXBV-INIZCTEOSA-N 0 3 370.409 1.456 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000604509087 553882787 /nfs/dbraw/zinc/88/27/87/553882787.db2.gz DEBZWDAKVHXOJW-UHFFFAOYSA-N 0 3 373.417 1.275 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609517588 554386540 /nfs/dbraw/zinc/38/65/40/554386540.db2.gz AVCJCNFUORDINM-CHWSQXEVSA-N 0 3 364.402 1.345 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000609673176 554410066 /nfs/dbraw/zinc/41/00/66/554410066.db2.gz JWPDXXPKWVCYPW-UHFFFAOYSA-N 0 3 362.411 1.809 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833282 554426316 /nfs/dbraw/zinc/42/63/16/554426316.db2.gz GCGZJFYSSOEFJW-DZGCQCFKSA-N 0 3 362.430 1.704 20 5 FDBDHN CC(C)(CO)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000609846002 554428324 /nfs/dbraw/zinc/42/83/24/554428324.db2.gz VHIXMLKYRZRLMN-UHFFFAOYSA-N 0 3 350.419 1.312 20 5 FDBDHN Cc1nc(CN2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000609849571 554429812 /nfs/dbraw/zinc/42/98/12/554429812.db2.gz WJPOXHJACPSMFT-UHFFFAOYSA-N 0 3 373.417 1.168 20 5 FDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610925006 554581210 /nfs/dbraw/zinc/58/12/10/554581210.db2.gz CNUCECBDKUMWAG-LBPRGKRZSA-N 0 3 363.370 1.307 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@@]3(CCOC3)C1)OCCO2 ZINC000611293330 554623535 /nfs/dbraw/zinc/62/35/35/554623535.db2.gz AKMFPEROFWDZQQ-DYVFJYSZSA-N 0 3 350.371 1.794 20 5 FDBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCN(c2ccncc2)CC1 ZINC000611509243 554639445 /nfs/dbraw/zinc/63/94/45/554639445.db2.gz LXRPXQKCFGNXCY-UHFFFAOYSA-N 0 3 356.338 1.681 20 5 FDBDHN CCN1CCN([C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000611706461 554669104 /nfs/dbraw/zinc/66/91/04/554669104.db2.gz LCDXKZRXEAUGPA-OAHLLOKOSA-N 0 3 356.430 1.754 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000611753512 554675376 /nfs/dbraw/zinc/67/53/76/554675376.db2.gz QRTVDJVGHQBUFS-OAHLLOKOSA-N 0 3 362.430 1.598 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](n2cncn2)C1 ZINC000614419005 555049476 /nfs/dbraw/zinc/04/94/76/555049476.db2.gz PSVLGPJQRCRAFF-ZDUSSCGKSA-N 0 3 358.358 1.431 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)cc1-c1nnn[n-]1 ZINC000826498122 607452625 /nfs/dbraw/zinc/45/26/25/607452625.db2.gz IDTXNJAPFXEXSI-UHFFFAOYSA-N 0 3 373.417 1.324 20 5 FDBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276246770 674724840 /nfs/dbraw/zinc/72/48/40/674724840.db2.gz RIENMCZRPDCCCD-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)n1 ZINC000286767845 675905464 /nfs/dbraw/zinc/90/54/64/675905464.db2.gz HZJUPFZSRGDVRM-UONOGXRCSA-N 0 3 366.443 1.792 20 5 FDBDHN CCc1nn(C)c(NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000288978412 676079400 /nfs/dbraw/zinc/07/94/00/676079400.db2.gz VBZNCAHECOMPEV-CYBMUJFWSA-N 0 3 352.439 1.245 20 5 FDBDHN COCCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291890915 676273659 /nfs/dbraw/zinc/27/36/59/676273659.db2.gz OUGZMJJWSKZNHE-UHFFFAOYSA-N 0 3 350.419 1.750 20 5 FDBDHN C[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000363818114 676974774 /nfs/dbraw/zinc/97/47/74/676974774.db2.gz GYEQIGGAFWYRCE-FPMFFAJLSA-N 0 3 351.378 1.817 20 5 FDBDHN CNC(=O)CN1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364026586 676986383 /nfs/dbraw/zinc/98/63/83/676986383.db2.gz WNTTWCWJOBZZMT-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365025748 677344547 /nfs/dbraw/zinc/34/45/47/677344547.db2.gz ZMPYXIOROARYSD-ABAIWWIYSA-N 0 3 354.432 1.033 20 5 FDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366229221 677424112 /nfs/dbraw/zinc/42/41/12/677424112.db2.gz YYRHHGKDBFYEEK-AWEZNQCLSA-N 0 3 359.835 1.965 20 5 FDBDHN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000367045310 677481981 /nfs/dbraw/zinc/48/19/81/677481981.db2.gz KPPJTOZABKSUAV-GXTWGEPZSA-N 0 3 352.460 1.754 20 5 FDBDHN Cc1cc(OCC(=O)N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000369796527 677517629 /nfs/dbraw/zinc/51/76/29/677517629.db2.gz OTOUGERBASRPCG-AWEZNQCLSA-N 0 3 351.403 1.197 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000375877042 678189526 /nfs/dbraw/zinc/18/95/26/678189526.db2.gz RPNAZPQCKKPDFR-MRXNPFEDSA-N 0 3 350.394 1.472 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000376549041 678332678 /nfs/dbraw/zinc/33/26/78/678332678.db2.gz UBIZECKLXHPBEY-QWHCGFSZSA-N 0 3 352.387 1.466 20 5 FDBDHN O=C(CN[C@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412000023 679140588 /nfs/dbraw/zinc/14/05/88/679140588.db2.gz YGAKDISIGFWZEA-ZWNOBZJWSA-N 0 3 357.794 1.564 20 5 FDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416393091 679601835 /nfs/dbraw/zinc/60/18/35/679601835.db2.gz UNUJNERHCLGDFO-LLVKDONJSA-N 0 3 373.431 1.390 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CNCCO1 ZINC000418090973 679998545 /nfs/dbraw/zinc/99/85/45/679998545.db2.gz OVOUUNBESYHIAX-GFCCVEGCSA-N 0 3 362.308 1.401 20 5 FDBDHN COC(=O)COc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000473987447 685354349 /nfs/dbraw/zinc/35/43/49/685354349.db2.gz NFJJIVWVXLVBKF-DYVFJYSZSA-N 0 3 350.371 1.804 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000429248717 681028314 /nfs/dbraw/zinc/02/83/14/681028314.db2.gz ODNIHVCQBGRKRD-ZNMIVQPWSA-N 0 3 351.447 1.890 20 5 FDBDHN CN(C)CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000431405114 681118577 /nfs/dbraw/zinc/11/85/77/681118577.db2.gz VWYGVKWMCPEORX-UHFFFAOYSA-N 0 3 368.821 1.531 20 5 FDBDHN CC(C)NS(=O)(=O)NCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083154 681172225 /nfs/dbraw/zinc/17/22/25/681172225.db2.gz NALNJLVEIAPIBY-OAHLLOKOSA-N 0 3 370.475 1.739 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450600879 682769792 /nfs/dbraw/zinc/76/97/92/682769792.db2.gz WVUVHNXJFFGHII-GFCCVEGCSA-N 0 3 352.391 1.425 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452353529 683057101 /nfs/dbraw/zinc/05/71/01/683057101.db2.gz USAZDTHZAZZMQL-ZDUSSCGKSA-N 0 3 353.444 1.893 20 5 FDBDHN C[C@H](C(=O)N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452380272 683065129 /nfs/dbraw/zinc/06/51/29/683065129.db2.gz FPNVKKYLHKBGOE-STQMWFEESA-N 0 3 353.394 1.800 20 5 FDBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475708018 685630027 /nfs/dbraw/zinc/63/00/27/685630027.db2.gz FDLYCWBGHYBWOH-DZGCQCFKSA-N 0 3 352.387 1.739 20 5 FDBDHN CCCN(CC)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000456063536 683563277 /nfs/dbraw/zinc/56/32/77/683563277.db2.gz LYFWDHCGFKDGAG-LBPRGKRZSA-N 0 3 371.459 1.849 20 5 FDBDHN CCCN(CC)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000456063529 683563476 /nfs/dbraw/zinc/56/34/76/683563476.db2.gz LYFWDHCGFKDGAG-GFCCVEGCSA-N 0 3 371.459 1.849 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000468051251 684887135 /nfs/dbraw/zinc/88/71/35/684887135.db2.gz OFOBGPVWXSROOG-DGCLKSJQSA-N 0 3 350.423 1.180 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000472116180 685177578 /nfs/dbraw/zinc/17/75/78/685177578.db2.gz VPCGBMVYXJMPRE-CYBMUJFWSA-N 0 3 352.410 1.419 20 5 FDBDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472602158 685226829 /nfs/dbraw/zinc/22/68/29/685226829.db2.gz UKMYNGSQOWGJFH-ZDUSSCGKSA-N 0 3 352.366 1.615 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000476036277 685671053 /nfs/dbraw/zinc/67/10/53/685671053.db2.gz XACWMIJTRVFYAN-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000498909864 687878528 /nfs/dbraw/zinc/87/85/28/687878528.db2.gz JQDIGTBNWXMZTQ-GFCCVEGCSA-N 0 3 354.432 1.176 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502852005 688307621 /nfs/dbraw/zinc/30/76/21/688307621.db2.gz YDIXRPXMMJFJLC-GHMZBOCLSA-N 0 3 354.794 1.691 20 5 FDBDHN CCOc1cc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510765388 689418533 /nfs/dbraw/zinc/41/85/33/689418533.db2.gz QYZYXRXIFHQQLQ-KGLIPLIRSA-N 0 3 371.459 1.944 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCN3CCCC[C@H]23)cc1 ZINC000520396811 690316720 /nfs/dbraw/zinc/31/67/20/690316720.db2.gz MULMEYJSZNBXEJ-JKSUJKDBSA-N 0 3 353.444 1.585 20 5 FDBDHN O=C(CCN1CCN([C@H]2CCC[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375797071 784912842 /nfs/dbraw/zinc/91/28/42/784912842.db2.gz TYZSKARFBANOKB-IRXDYDNUSA-N 0 3 362.430 1.454 20 5 FDBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CN2CCC1CC2 ZINC000892800974 791281016 /nfs/dbraw/zinc/28/10/16/791281016.db2.gz UIMVXUNDYBURAK-LJQANCHMSA-N 0 3 374.441 1.646 20 5 FDBDHN CC(C)(C(=O)NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452363329 793916027 /nfs/dbraw/zinc/91/60/27/793916027.db2.gz LUBHAIGFPWPFTA-AWEZNQCLSA-N 0 3 367.421 1.975 20 5 FDBDHN COC(=O)C1=C(C)O[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000759857605 795920437 /nfs/dbraw/zinc/92/04/37/795920437.db2.gz VSMZBZCELWXVFX-OCCSQVGLSA-N 0 3 362.386 1.712 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000423703643 815219701 /nfs/dbraw/zinc/21/97/01/815219701.db2.gz CIQITAVTDBSCIS-MRXNPFEDSA-N 0 3 374.441 1.718 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279236200 808646677 /nfs/dbraw/zinc/64/66/77/808646677.db2.gz QYLOGHYDHPRFNJ-UHFFFAOYSA-N 0 3 368.409 1.641 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893876689 809784474 /nfs/dbraw/zinc/78/44/74/809784474.db2.gz PTVRWAWLPHNNBX-SJORKVTESA-N 0 3 362.430 1.378 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)CN(CC)CC)CC2)ccc1[N+](=O)[O-] ZINC000505103769 815412092 /nfs/dbraw/zinc/41/20/92/815412092.db2.gz INQVMSZCCONXHP-UHFFFAOYSA-N 0 3 364.446 1.984 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420389729 813639555 /nfs/dbraw/zinc/63/95/55/813639555.db2.gz YOORXXOZJLVESO-LRDDRELGSA-N 0 3 373.417 1.309 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@H]2C(=O)NC)c([N+](=O)[O-])c1 ZINC000502855844 814293645 /nfs/dbraw/zinc/29/36/45/814293645.db2.gz LAQZWYVJHKYGCF-OLZOCXBDSA-N 0 3 364.402 1.436 20 5 FDBDHN COc1cc(OCC(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000515472108 816282552 /nfs/dbraw/zinc/28/25/52/816282552.db2.gz MIPZWGDYCPXMIG-UHFFFAOYSA-N 0 3 363.374 1.379 20 5 FDBDHN COc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000729497399 819862010 /nfs/dbraw/zinc/86/20/10/819862010.db2.gz NOOXVPHFCUTRON-UONOGXRCSA-N 0 3 364.402 1.266 20 5 FDBDHN Cc1cc(N[C@H](C)[C@@H]2CN(C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895248167 822222727 /nfs/dbraw/zinc/22/27/27/822222727.db2.gz JDXQYQXCYVDBHP-PBHICJAKSA-N 0 3 370.457 1.828 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000522252032 822232158 /nfs/dbraw/zinc/23/21/58/822232158.db2.gz NAJXZIBVBIAHNA-UHFFFAOYSA-N 0 3 365.430 1.869 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000895778929 822740642 /nfs/dbraw/zinc/74/06/42/822740642.db2.gz IXDBZOTUSXRACE-BETUJISGSA-N 0 3 352.412 1.941 20 5 FDBDHN CCOC(=O)[C@]1(COC)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281527528 825976355 /nfs/dbraw/zinc/97/63/55/825976355.db2.gz VYOIEWPTVRTQHM-SJLPKXTDSA-N 0 3 366.414 1.920 20 5 FDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451770851 830441562 /nfs/dbraw/zinc/44/15/62/830441562.db2.gz FOTYKHFRMXITIO-CABCVRRESA-N 0 3 361.398 1.805 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000531152475 830584002 /nfs/dbraw/zinc/58/40/02/830584002.db2.gz DXGDINBUSZMDGR-UHFFFAOYSA-N 0 3 372.425 1.820 20 5 FDBDHN C[C@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C ZINC000454773754 835675467 /nfs/dbraw/zinc/67/54/67/835675467.db2.gz DPOPJIDLIPXLGB-KBPBESRZSA-N 0 3 362.434 1.304 20 5 FDBDHN CCCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CCN(C)C1 ZINC000899207297 845936879 /nfs/dbraw/zinc/93/68/79/845936879.db2.gz QIFZEAGYDIAIPV-INIZCTEOSA-N 0 3 372.429 1.791 20 5 FDBDHN Cc1c(Br)cc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899736670 846637524 /nfs/dbraw/zinc/63/75/24/846637524.db2.gz OKBQXORBEWPTBX-UHFFFAOYSA-N 0 3 360.208 1.320 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000907566112 854373393 /nfs/dbraw/zinc/37/33/93/854373393.db2.gz XBGCKDQXFQDCSF-XHDPSFHLSA-N 0 3 355.416 1.176 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910281963 857029404 /nfs/dbraw/zinc/02/94/04/857029404.db2.gz NZOZAQONTNHPMB-GXTWGEPZSA-N 0 3 366.466 1.770 20 5 FDBDHN CN1CCC(N(CCO)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000911932747 859156770 /nfs/dbraw/zinc/15/67/70/859156770.db2.gz WIRWEPAXHCVTRD-UHFFFAOYSA-N 0 3 359.785 1.916 20 5 FDBDHN C[C@@H](C(=O)N(CCO)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000911941207 859170442 /nfs/dbraw/zinc/17/04/42/859170442.db2.gz INUMMTWDCRDAAH-GFCCVEGCSA-N 0 3 353.394 1.753 20 5 FDBDHN COCCN1CC[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535228931 867509510 /nfs/dbraw/zinc/50/95/10/867509510.db2.gz FOVMBMVLHSWACA-OAHLLOKOSA-N 0 3 357.414 1.915 20 5 FDBDHN COc1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c([N+](=O)[O-])c1 ZINC000913838559 869742682 /nfs/dbraw/zinc/74/26/82/869742682.db2.gz QGPSNQPLFSGSIZ-HNNXBMFYSA-N 0 3 356.400 1.798 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000916967287 882735810 /nfs/dbraw/zinc/73/58/10/882735810.db2.gz VRECSTSNNJILHT-ZACQAIPSSA-N 0 3 368.336 1.591 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000272629875 878092744 /nfs/dbraw/zinc/09/27/44/878092744.db2.gz WKNFCSGVIFRHIO-UHFFFAOYSA-N 0 3 363.462 1.416 20 5 FDBDHN Cn1ccnc1[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000373105763 887108795 /nfs/dbraw/zinc/10/87/95/887108795.db2.gz BVUOPUJOHNWYKL-GDBMZVCRSA-N 0 3 360.414 1.948 20 5 FDBDHN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn2cncc2c1 ZINC000943699982 899199035 /nfs/dbraw/zinc/19/90/35/899199035.db2.gz USDWAQPUHIKTGA-RRCSTGOVSA-N 0 3 371.397 1.157 20 5 FDBDHN CC(C)(C)c1cnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997777518 909682741 /nfs/dbraw/zinc/68/27/41/909682741.db2.gz VODIQUBBYJMQFB-ZIAGYGMSSA-N 0 3 364.446 1.966 20 5 FDBDHN CC1(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000273119569 911096017 /nfs/dbraw/zinc/09/60/17/911096017.db2.gz HFPMBHQVIYPGEC-HNNXBMFYSA-N 0 3 366.414 1.810 20 5 FDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000734467306 923373112 /nfs/dbraw/zinc/37/31/12/923373112.db2.gz IFPGFHYKSMVAFH-GPCFVJJQSA-N 0 3 374.441 1.131 20 5 FDBDHN COC(=O)CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000744427571 926678505 /nfs/dbraw/zinc/67/85/05/926678505.db2.gz TXYOFMDRDYQHJN-UHFFFAOYSA-N 0 3 365.386 1.238 20 5 FDBDHN CC(C)(C)OC(=O)N1CCN2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169012253 928222575 /nfs/dbraw/zinc/22/25/75/928222575.db2.gz OUGMPOHLLNNOHR-OAGGEKHMSA-N 0 3 368.478 1.669 20 5 FDBDHN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044557 928236724 /nfs/dbraw/zinc/23/67/24/928236724.db2.gz IGZLEPZRJRVRBB-BYNSBNAKSA-N 0 3 350.419 1.884 20 5 FDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771038652 930399968 /nfs/dbraw/zinc/39/99/68/930399968.db2.gz ASCQOUYJQZKCKR-MRXNPFEDSA-N 0 3 373.413 1.314 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101557 941325514 /nfs/dbraw/zinc/32/55/14/941325514.db2.gz DGNSLGGBEWOWDA-MWLCHTKSSA-N 0 3 362.429 1.418 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813104236 941326512 /nfs/dbraw/zinc/32/65/12/941326512.db2.gz KPGJYAFBOIQOHL-PWSUYJOCSA-N 0 3 350.327 1.228 20 5 FDBDHN CC(COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)[N+](=O)[O-] ZINC000813104142 941327032 /nfs/dbraw/zinc/32/70/32/941327032.db2.gz WVUMPFSMASUCLC-SFCYXTAJSA-N 0 3 353.419 1.853 20 5 FDBDHN CC(COC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)[N+](=O)[O-] ZINC000813109105 941334289 /nfs/dbraw/zinc/33/42/89/941334289.db2.gz FKCZHYCWQKEWIX-ODWCKFRGSA-N 0 3 370.402 1.657 20 5 FDBDHN CC(COC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[N+](=O)[O-] ZINC000813109659 941334388 /nfs/dbraw/zinc/33/43/88/941334388.db2.gz VAOVEGVQJBFOOO-JOYOIKCWSA-N 0 3 369.761 1.753 20 5 FDBDHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111077 941334802 /nfs/dbraw/zinc/33/48/02/941334802.db2.gz CALDSYMRBHURRN-IONNQARKSA-N 0 3 354.388 1.270 20 5 FDBDHN CC(COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813111524 941335227 /nfs/dbraw/zinc/33/52/27/941335227.db2.gz UHHHVBORBCZIMS-RKDXNWHRSA-N 0 3 350.780 1.215 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813111158 941335848 /nfs/dbraw/zinc/33/58/48/941335848.db2.gz PGRTYAHHJSUVGQ-JQWIXIFHSA-N 0 3 362.338 1.284 20 5 FDBDHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815703825 941945623 /nfs/dbraw/zinc/94/56/23/941945623.db2.gz NRRKNWJALDAVLK-TVQRCGJNSA-N 0 3 352.778 1.349 20 5 FDBDHN O=C1[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccn1 ZINC000819223598 943495858 /nfs/dbraw/zinc/49/58/58/943495858.db2.gz HMRHFPKLWCUWOC-QZTJIDSGSA-N 0 3 370.409 1.804 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823961736 946097157 /nfs/dbraw/zinc/09/71/57/946097157.db2.gz KETAXWRRIQJICP-UHFFFAOYSA-N 0 3 364.450 1.715 20 5 FDBDHN CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)ccn1 ZINC000856625170 971266266 /nfs/dbraw/zinc/26/62/66/971266266.db2.gz DFYYMXQLBXMAST-CQSZACIVSA-N 0 3 374.401 1.458 20 5 FDBDHN CC([C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872726 950042943 /nfs/dbraw/zinc/04/29/43/950042943.db2.gz MVZMXALGXMQPPD-SUNKGSAMSA-N 0 3 353.350 1.866 20 5 FDBDHN CC([C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876070 950047484 /nfs/dbraw/zinc/04/74/84/950047484.db2.gz PJONSNCPPPOJJI-YMTOWFKASA-N 0 3 352.278 1.880 20 5 FDBDHN COC(=O)c1cnc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879381 950052518 /nfs/dbraw/zinc/05/25/18/950052518.db2.gz UOICKWLSEBOACJ-YMTOWFKASA-N 0 3 363.301 1.966 20 5 FDBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000845925540 950193337 /nfs/dbraw/zinc/19/33/37/950193337.db2.gz LCQBTOFYOOTBSO-UHFFFAOYSA-N 0 3 354.432 1.486 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001148882043 952822363 /nfs/dbraw/zinc/82/23/63/952822363.db2.gz HMDWWZJCDOLYHY-CYBMUJFWSA-N 0 3 363.418 1.287 20 5 FDBDHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[C@@H]1CCOC1 ZINC001171510630 961211051 /nfs/dbraw/zinc/21/10/51/961211051.db2.gz KCGJGMHTMIBRHX-CYBMUJFWSA-N 0 3 357.432 1.232 20 5 FDBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOC3(CNC3)C2)CC1 ZINC000853245187 967941748 /nfs/dbraw/zinc/94/17/48/967941748.db2.gz VJRKABWONBXHNX-UHFFFAOYSA-N 0 3 374.441 1.646 20 5 FDBDHN COc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])cc1C ZINC000853456921 968024405 /nfs/dbraw/zinc/02/44/05/968024405.db2.gz UZEVFFMEFVQZAZ-AWEZNQCLSA-N 0 3 362.430 1.830 20 5 FDBDHN O=C1N[C@@H](C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC001198299836 972965654 /nfs/dbraw/zinc/96/56/54/972965654.db2.gz IFZCBBDOJWLYBY-UONOGXRCSA-N 0 3 365.386 1.155 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794644131 973475532 /nfs/dbraw/zinc/47/55/32/973475532.db2.gz YJBYHHBDYFGYQQ-LBPRGKRZSA-N 0 3 364.402 1.237 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000866606627 975830176 /nfs/dbraw/zinc/83/01/76/975830176.db2.gz CZMVVGJUMJMWJZ-CQSZACIVSA-N 0 3 351.378 1.646 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000849494321 977687271 /nfs/dbraw/zinc/68/72/71/977687271.db2.gz SRCXTTRTKNBMQP-DLBZAZTESA-N 0 3 369.425 1.953 20 5 FDBDHN Cc1c(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000849581920 977785032 /nfs/dbraw/zinc/78/50/32/977785032.db2.gz JKZNVRIUVGRVBD-IAGOWNOFSA-N 0 3 371.441 1.988 20 5 FDBDHN CCN(C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)[C@H]1CCN(CC)C1 ZINC000850607091 978475997 /nfs/dbraw/zinc/47/59/97/978475997.db2.gz PZSIDGNFTGUEKY-LBPRGKRZSA-N 0 3 366.393 1.924 20 5 FDBDHN CN(CCNc1cccc(Br)c1[N+](=O)[O-])CCOCCO ZINC000882950784 981820526 /nfs/dbraw/zinc/82/05/26/981820526.db2.gz AOOMLVVOHLCIFY-UHFFFAOYSA-N 0 3 362.224 1.710 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1=O ZINC000862121693 984140429 /nfs/dbraw/zinc/14/04/29/984140429.db2.gz KNOMSZLOMWCRHK-UHFFFAOYSA-N 0 3 370.409 1.594 20 5 FDBDHN COCCN1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000299314721 988314939 /nfs/dbraw/zinc/31/49/39/988314939.db2.gz SHCLKAFFZZUMFN-UHFFFAOYSA-N 0 3 360.414 1.777 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000299315507 988316006 /nfs/dbraw/zinc/31/60/06/988316006.db2.gz PAXZCZAQMFXEJU-KGLIPLIRSA-N 0 3 360.414 1.845 20 5 FDBDHN C[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000295184084 988626702 /nfs/dbraw/zinc/62/67/02/988626702.db2.gz JNLVHJJJGXMKDL-STQMWFEESA-N 0 3 373.413 1.512 20 5 FDBDHN CN(C)C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2O1 ZINC000367129646 988936385 /nfs/dbraw/zinc/93/63/85/988936385.db2.gz VNKMBHFLDCXHQV-OAHLLOKOSA-N 0 3 358.398 1.586 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363207103 988993372 /nfs/dbraw/zinc/99/33/72/988993372.db2.gz XHQMWKIKBAZZGF-STQMWFEESA-N 0 3 364.358 1.404 20 5 FDBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363206756 988993542 /nfs/dbraw/zinc/99/35/42/988993542.db2.gz PSJGIDYIWNBAPG-WCQYABFASA-N 0 3 364.358 1.404 20 5 FDBDHN Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000363209323 988996137 /nfs/dbraw/zinc/99/61/37/988996137.db2.gz NIEZHSQRJWFMIL-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN O=C1Nc2ccccc2[C@@]12CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000364315966 989534832 /nfs/dbraw/zinc/53/48/32/989534832.db2.gz QLRWYCYXMFJGMX-SFHVURJKSA-N 0 3 354.366 1.352 20 5 FDBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@@H]1N1CCN(C)CC1 ZINC000371339090 990367652 /nfs/dbraw/zinc/36/76/52/990367652.db2.gz MCYGHBYRGKEBSZ-KGLIPLIRSA-N 0 3 359.434 1.100 20 5 FDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000874847935 990576855 /nfs/dbraw/zinc/57/68/55/990576855.db2.gz QQROIBAFFXODEN-ZWKOTPCHSA-N 0 3 374.441 1.740 20 5 FDBDHN CC(C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796593459 1015580532 /nfs/dbraw/zinc/58/05/32/1015580532.db2.gz RKPQDKRSUFOYRY-AWEZNQCLSA-N 0 3 351.403 1.325 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372368760 991047632 /nfs/dbraw/zinc/04/76/32/991047632.db2.gz WGZDJACFPIDJPT-SUMWQHHRSA-N 0 3 361.446 1.396 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000372564965 991219403 /nfs/dbraw/zinc/21/94/03/991219403.db2.gz AVCUXKFEIFSDCC-PNPHSEOMSA-N 0 3 362.430 1.655 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876475551 992648299 /nfs/dbraw/zinc/64/82/99/992648299.db2.gz MBKJMDYDKJMWFF-RDTXWAMCSA-N 0 3 365.430 1.504 20 5 FDBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000880132066 995664189 /nfs/dbraw/zinc/66/41/89/995664189.db2.gz NAUCIWRPEPIHRZ-STQMWFEESA-N 0 3 362.386 1.431 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000889769983 998633033 /nfs/dbraw/zinc/63/30/33/998633033.db2.gz XMGOVZOWCQNGAA-IAGOWNOFSA-N 0 3 361.442 1.930 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000270908123 999632325 /nfs/dbraw/zinc/63/23/25/999632325.db2.gz PUGXHKWHAXQYKR-SWLSCSKDSA-N 0 3 355.398 1.993 20 5 FDBDHN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[n-]2)[NH+]2CCCC2)cc1 ZINC000284960203 999888207 /nfs/dbraw/zinc/88/82/07/999888207.db2.gz KZYHRTYWDKYRBP-OAHLLOKOSA-N 0 3 359.386 1.893 20 5 FDBDHN CN(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000288170621 999993140 /nfs/dbraw/zinc/99/31/40/999993140.db2.gz MMPJFSJMPOCPME-HNNXBMFYSA-N 0 3 362.361 1.315 20 5 FDBDHN O=c1[nH]c(N2CCN(C3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000288538755 1000024911 /nfs/dbraw/zinc/02/49/11/1000024911.db2.gz UYMSTTABLFTMOS-UHFFFAOYSA-N 0 3 359.386 1.545 20 5 FDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000932833317 1005204884 /nfs/dbraw/zinc/20/48/84/1005204884.db2.gz QIAIKVWVNRMPLM-ZDUSSCGKSA-N 0 3 353.806 1.711 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000933330499 1005540499 /nfs/dbraw/zinc/54/04/99/1005540499.db2.gz KTJORZAYPRPCJG-AWEZNQCLSA-N 0 3 362.430 1.369 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000933330500 1005540576 /nfs/dbraw/zinc/54/05/76/1005540576.db2.gz KTJORZAYPRPCJG-CQSZACIVSA-N 0 3 362.430 1.369 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260159 1005723833 /nfs/dbraw/zinc/72/38/33/1005723833.db2.gz LCOAQSBPQXLBEV-XOKHGSTOSA-N 0 3 362.430 1.453 20 5 FDBDHN O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934260627 1005724463 /nfs/dbraw/zinc/72/44/63/1005724463.db2.gz BELURFKCHLUVKK-SJORKVTESA-N 0 3 374.441 1.015 20 5 FDBDHN COc1ccc(CN(CCCO)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000934504968 1005754591 /nfs/dbraw/zinc/75/45/91/1005754591.db2.gz OLKUVEGTDCWWJB-UHFFFAOYSA-N 0 3 361.398 1.650 20 5 FDBDHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193114003 178148782 /nfs/dbraw/zinc/14/87/82/178148782.db2.gz LMKAZDHERNZEEZ-MRXNPFEDSA-N 0 3 364.446 1.240 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194742612 178222623 /nfs/dbraw/zinc/22/26/23/178222623.db2.gz HBYDRPCRFQWZBH-CQSZACIVSA-N 0 3 355.398 1.824 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000194864261 178228216 /nfs/dbraw/zinc/22/82/16/178228216.db2.gz MBOWONJWPUIRKJ-HNNXBMFYSA-N 0 3 360.414 1.282 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511405236 538960194 /nfs/dbraw/zinc/96/01/94/538960194.db2.gz PPJIWAGVUQWKEN-QGZVFWFLSA-N 0 3 364.446 1.890 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264710801 179174604 /nfs/dbraw/zinc/17/46/04/179174604.db2.gz DUMWGJMFOSNNCU-UHFFFAOYSA-N 0 3 368.409 1.209 20 5 FDBDHN COCCN(C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265254245 179322852 /nfs/dbraw/zinc/32/28/52/179322852.db2.gz KUDIYHCHLAUWTN-UHFFFAOYSA-N 0 3 359.810 1.712 20 5 FDBDHN Cc1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)c(N)c([N+](=O)[O-])c1 ZINC000269150377 180228216 /nfs/dbraw/zinc/22/82/16/180228216.db2.gz ACLDMJGKTUGYFC-UHFFFAOYSA-N 0 3 356.386 1.542 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272927132 180829597 /nfs/dbraw/zinc/82/95/97/180829597.db2.gz NJUDNFDBSUHGLG-UHFFFAOYSA-N 0 3 364.402 1.342 20 5 FDBDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274463660 181100156 /nfs/dbraw/zinc/10/01/56/181100156.db2.gz KIQBVGRZIXERRX-DZGCQCFKSA-N 0 3 362.430 1.702 20 5 FDBDHN CNC(=O)c1ccc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000274696744 181148588 /nfs/dbraw/zinc/14/85/88/181148588.db2.gz SLMDIAZVBPTMDD-HZPDHXFCSA-N 0 3 364.471 1.970 20 5 FDBDHN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532397228 540159501 /nfs/dbraw/zinc/15/95/01/540159501.db2.gz IANMSYLGYVRYDL-UHFFFAOYSA-N 0 3 350.356 1.291 20 5 FDBDHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398327 540159642 /nfs/dbraw/zinc/15/96/42/540159642.db2.gz BLBXUZFKMKUVFF-UHFFFAOYSA-N 0 3 369.425 1.884 20 5 FDBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000275099721 181238302 /nfs/dbraw/zinc/23/83/02/181238302.db2.gz KGNFHPRKWSMWSI-LLVKDONJSA-N 0 3 361.320 1.974 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COC[C@H]3CCCO3)C2)nc1 ZINC000533378374 540240082 /nfs/dbraw/zinc/24/00/82/540240082.db2.gz IBSXNHLAVWBGTR-VNQPRFMTSA-N 0 3 366.418 1.033 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cn1 ZINC000534916411 540426452 /nfs/dbraw/zinc/42/64/52/540426452.db2.gz ACPKETVXYFAEOE-WBVHZDCISA-N 0 3 370.409 1.603 20 5 FDBDHN Cc1ccc([C@H](CN2CCOCC2)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539244481 540939556 /nfs/dbraw/zinc/93/95/56/540939556.db2.gz UOHXUBNAMAJMJC-KRWDZBQOSA-N 0 3 359.430 1.763 20 5 FDBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000541907130 541295996 /nfs/dbraw/zinc/29/59/96/541295996.db2.gz JKRSKRUQYBPMJA-GOSISDBHSA-N 0 3 371.397 1.170 20 5 FDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543835381 541669947 /nfs/dbraw/zinc/66/99/47/541669947.db2.gz VALBPZMZTWYQIH-UHFFFAOYSA-N 0 3 374.388 1.762 20 5 FDBDHN O=C1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282765555 182053907 /nfs/dbraw/zinc/05/39/07/182053907.db2.gz LIKIFFMNVOTFMK-CQSZACIVSA-N 0 3 367.427 1.159 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000286274704 183029066 /nfs/dbraw/zinc/02/90/66/183029066.db2.gz BLNAEUGQVPSSAD-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000286438433 183065953 /nfs/dbraw/zinc/06/59/53/183065953.db2.gz OBEQUZMDKLMENM-LBPRGKRZSA-N 0 3 356.448 1.741 20 5 FDBDHN CCCNC(=O)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000287368447 183274379 /nfs/dbraw/zinc/27/43/79/183274379.db2.gz MIHPDHHHWXINPW-ZFWWWQNUSA-N 0 3 369.422 1.143 20 5 FDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000288079232 183388348 /nfs/dbraw/zinc/38/83/48/183388348.db2.gz KUPNREHXOCJHLW-ZFWWWQNUSA-N 0 3 360.414 1.927 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296454699 184168132 /nfs/dbraw/zinc/16/81/32/184168132.db2.gz GFDCSFKLEGDGOF-UHFFFAOYSA-N 0 3 366.393 1.781 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000296927297 184215519 /nfs/dbraw/zinc/21/55/19/184215519.db2.gz MQPSCKLWVQTPRU-UHFFFAOYSA-N 0 3 352.366 1.533 20 5 FDBDHN Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000297687983 184307294 /nfs/dbraw/zinc/30/72/94/184307294.db2.gz ADIKDCDGHUFXDH-AWEZNQCLSA-N 0 3 350.419 1.934 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000298007392 184373971 /nfs/dbraw/zinc/37/39/71/184373971.db2.gz YNTVGWWXIXWWRV-UHFFFAOYSA-N 0 3 362.430 1.998 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000547293952 542303086 /nfs/dbraw/zinc/30/30/86/542303086.db2.gz CHBCQJRXSSNCMB-CQSZACIVSA-N 0 3 359.835 1.523 20 5 FDBDHN NC(=O)c1cccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553143595 543575903 /nfs/dbraw/zinc/57/59/03/543575903.db2.gz PSBRMGOZAIIIDJ-CABCVRRESA-N 0 3 370.409 1.741 20 5 FDBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000173458808 258300240 /nfs/dbraw/zinc/30/02/40/258300240.db2.gz AJPPTRUNEMJXRX-GJZGRUSLSA-N 0 3 362.386 1.314 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCN1CCOCC1 ZINC000074290203 172078172 /nfs/dbraw/zinc/07/81/72/172078172.db2.gz KDYDYWWZMMIJGI-UHFFFAOYSA-N 0 3 350.419 1.496 20 5 FDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000090538039 172266249 /nfs/dbraw/zinc/26/62/49/172266249.db2.gz QUQYZSGSYBBUMC-GFCCVEGCSA-N 0 3 367.431 1.392 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000102788021 172355169 /nfs/dbraw/zinc/35/51/69/172355169.db2.gz LQJMTTWGARCGHP-HNNXBMFYSA-N 0 3 366.393 1.406 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103503418 172369691 /nfs/dbraw/zinc/36/96/91/172369691.db2.gz DNIHMARFGHTJBK-UHFFFAOYSA-N 0 3 363.418 1.613 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127551248 173081217 /nfs/dbraw/zinc/08/12/17/173081217.db2.gz APSUBYXHYOLIKC-VXGBXAGGSA-N 0 3 358.398 1.991 20 5 FDBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000150720323 173378690 /nfs/dbraw/zinc/37/86/90/173378690.db2.gz UFTBYLYMBASNAV-ZDUSSCGKSA-N 0 3 353.444 1.771 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000176720569 174085070 /nfs/dbraw/zinc/08/50/70/174085070.db2.gz ITIWCZONIKPLRX-DZGCQCFKSA-N 0 3 350.419 1.936 20 5 FDBDHN O=C1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000178903808 258339309 /nfs/dbraw/zinc/33/93/09/258339309.db2.gz PDNUCXWYYSJZPF-RCFWFJCLSA-N 0 3 374.441 1.131 20 5 FDBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179207439 258346360 /nfs/dbraw/zinc/34/63/60/258346360.db2.gz NYVJHPCAQIMYDE-ZDUSSCGKSA-N 0 3 366.418 1.603 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)n1 ZINC000553389816 543625212 /nfs/dbraw/zinc/62/52/12/543625212.db2.gz KLUZXRCKODDINJ-GFCCVEGCSA-N 0 3 352.391 1.281 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N(C)C1CC1 ZINC000553366622 543620279 /nfs/dbraw/zinc/62/02/79/543620279.db2.gz ZASFJTSQTXCWIE-GFCCVEGCSA-N 0 3 360.414 1.078 20 5 FDBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000554905543 543888954 /nfs/dbraw/zinc/88/89/54/543888954.db2.gz MGBKOFQQQWEFOK-UHFFFAOYSA-N 0 3 359.386 1.813 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C1CC1 ZINC000557561235 544308970 /nfs/dbraw/zinc/30/89/70/544308970.db2.gz IMCOWIGGVFVMBL-CYBMUJFWSA-N 0 3 374.441 1.685 20 5 FDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000558019514 544373363 /nfs/dbraw/zinc/37/33/63/544373363.db2.gz OLFOORPXWSZXTE-HUUCEWRRSA-N 0 3 374.441 1.752 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000299571315 259007559 /nfs/dbraw/zinc/00/75/59/259007559.db2.gz UGBBSVMNRWDNJP-SFHVURJKSA-N 0 3 369.425 1.886 20 5 FDBDHN CNS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301097290 259021208 /nfs/dbraw/zinc/02/12/08/259021208.db2.gz NESDGXNBKVFYII-CYBMUJFWSA-N 0 3 368.459 1.568 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301210333 259023426 /nfs/dbraw/zinc/02/34/26/259023426.db2.gz WENQWAOIMWTRDV-NSHDSACASA-N 0 3 354.432 1.671 20 5 FDBDHN CNC(=O)c1ccc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301510549 259028704 /nfs/dbraw/zinc/02/87/04/259028704.db2.gz CZONOXBRHPBERL-HUUCEWRRSA-N 0 3 362.430 1.380 20 5 FDBDHN O=[N+]([O-])c1c(N2CCC[C@@H]2CN2CCC[C@H]2CO)nc2sccn21 ZINC000301550844 259029815 /nfs/dbraw/zinc/02/98/15/259029815.db2.gz QUUCCAIDXAOYHS-NEPJUHHUSA-N 0 3 351.432 1.730 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000330415403 259143519 /nfs/dbraw/zinc/14/35/19/259143519.db2.gz APCJYYNFGMFDHF-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000331910874 259228490 /nfs/dbraw/zinc/22/84/90/259228490.db2.gz RUJFJPWMMYYZTF-UHFFFAOYSA-N 0 3 351.407 1.283 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1N1CCCC1 ZINC000332081133 259239460 /nfs/dbraw/zinc/23/94/60/259239460.db2.gz LGEBMTXKTYGDCS-GJZGRUSLSA-N 0 3 350.444 1.950 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1C ZINC000332323070 259257497 /nfs/dbraw/zinc/25/74/97/259257497.db2.gz QVKYSNJHKAICIQ-OLZOCXBDSA-N 0 3 350.423 1.621 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000332477199 259269128 /nfs/dbraw/zinc/26/91/28/259269128.db2.gz OFYCTIIUCNUUQY-ZIAGYGMSSA-N 0 3 362.434 1.304 20 5 FDBDHN CCc1nn(C)c(N2CCC[C@@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000367523909 260055168 /nfs/dbraw/zinc/05/51/68/260055168.db2.gz HBGMJGIQIPORIJ-AWEZNQCLSA-N 0 3 350.467 1.355 20 5 FDBDHN COC(=O)[C@]12CCC[C@@H]1CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000368611006 260208970 /nfs/dbraw/zinc/20/89/70/260208970.db2.gz DVYGNXCHAKCCQH-GLJUWKHASA-N 0 3 364.398 1.610 20 5 FDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000368974593 260270955 /nfs/dbraw/zinc/27/09/55/260270955.db2.gz OIARGWSXYSHHOM-CYBMUJFWSA-N 0 3 360.414 1.534 20 5 FDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000368975725 260271372 /nfs/dbraw/zinc/27/13/72/260271372.db2.gz XQNYZRUPNZGOAQ-SIVJFFJCSA-N 0 3 364.377 1.648 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369165657 260305538 /nfs/dbraw/zinc/30/55/38/260305538.db2.gz VGPAHILSZGTDQC-INIZCTEOSA-N 0 3 372.429 1.523 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000369311429 260338399 /nfs/dbraw/zinc/33/83/99/260338399.db2.gz WGDAUBLDWSIZQY-AWEZNQCLSA-N 0 3 364.421 1.834 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(CO)Cc3ccccc3C2)c1 ZINC000369328387 260341958 /nfs/dbraw/zinc/34/19/58/260341958.db2.gz CAHAFIPGDVRSFO-KRWDZBQOSA-N 0 3 358.394 1.454 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCOCC3)C2)c2ccncc21 ZINC000369349129 260346111 /nfs/dbraw/zinc/34/61/11/260346111.db2.gz XJJNBMMEDUWIBY-HNNXBMFYSA-N 0 3 371.441 1.961 20 5 FDBDHN COC(=O)[C@]12CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000373795373 261041202 /nfs/dbraw/zinc/04/12/02/261041202.db2.gz DKMBCJCEMONFQX-JLJPHGGASA-N 0 3 350.371 1.140 20 5 FDBDHN C[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000374264301 261102870 /nfs/dbraw/zinc/10/28/70/261102870.db2.gz JKNBWDRYXVCCAV-GOSISDBHSA-N 0 3 357.414 1.820 20 5 FDBDHN C[C@@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000374593392 261159273 /nfs/dbraw/zinc/15/92/73/261159273.db2.gz IXODYMWLJIEDGP-HZPDHXFCSA-N 0 3 354.428 1.916 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000374989978 261241488 /nfs/dbraw/zinc/24/14/88/261241488.db2.gz RMOAKGYOBSSBHG-JKSUJKDBSA-N 0 3 361.402 1.481 20 5 FDBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000375039759 261254430 /nfs/dbraw/zinc/25/44/30/261254430.db2.gz NKZCKKCVINCPTH-RISCZKNCSA-N 0 3 362.386 1.288 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@@H]21 ZINC000375060174 261259139 /nfs/dbraw/zinc/25/91/39/261259139.db2.gz LGJUKOGTZKKBNF-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1ccc(OCCN2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000375500850 261355635 /nfs/dbraw/zinc/35/56/35/261355635.db2.gz YZCVJIWVULBYRM-AWEZNQCLSA-N 0 3 353.419 1.371 20 5 FDBDHN CCn1cc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000377955940 261924443 /nfs/dbraw/zinc/92/44/43/261924443.db2.gz ZDLBJVXQSGJBBY-UHFFFAOYSA-N 0 3 361.406 1.358 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000409721878 262136537 /nfs/dbraw/zinc/13/65/37/262136537.db2.gz MMDYJXCYUGSEAK-OAHLLOKOSA-N 0 3 351.403 1.183 20 5 FDBDHN CS[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270413806 674207239 /nfs/dbraw/zinc/20/72/39/674207239.db2.gz BOCSEFRZRFFUIR-QWHCGFSZSA-N 0 3 355.464 1.302 20 5 FDBDHN COc1ccc(NC(=O)CN2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270629228 674240377 /nfs/dbraw/zinc/24/03/77/674240377.db2.gz GFCUDMJGJCCKFG-HUUCEWRRSA-N 0 3 368.459 1.519 20 5 FDBDHN CC[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000032447620 519504970 /nfs/dbraw/zinc/50/49/70/519504970.db2.gz MMMRGLCUAXUTGL-MRXNPFEDSA-N 0 3 357.414 1.744 20 5 FDBDHN COc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000041362241 519653163 /nfs/dbraw/zinc/65/31/63/519653163.db2.gz QZLNCIPKMDBFQT-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000041668020 519663929 /nfs/dbraw/zinc/66/39/29/519663929.db2.gz MBHZHENIXDWIEU-GFCCVEGCSA-N 0 3 364.402 1.390 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069529615 521905930 /nfs/dbraw/zinc/90/59/30/521905930.db2.gz IQHMZZZXXDZNBB-LBPRGKRZSA-N 0 3 365.386 1.207 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC[C@@H]1C ZINC000060524174 522395308 /nfs/dbraw/zinc/39/53/08/522395308.db2.gz KUDORQLNZJRSNN-KBPBESRZSA-N 0 3 362.430 1.704 20 5 FDBDHN Cc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000061502581 522461183 /nfs/dbraw/zinc/46/11/83/522461183.db2.gz OHYAOQNNFWBVNB-HNNXBMFYSA-N 0 3 358.402 1.448 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065536690 522836872 /nfs/dbraw/zinc/83/68/72/522836872.db2.gz IBWGTVPLLGLIBD-CABCVRRESA-N 0 3 365.430 1.837 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066948617 523281884 /nfs/dbraw/zinc/28/18/84/523281884.db2.gz KNDLQDDTQBWSSL-CJNGLKHVSA-N 0 3 362.430 1.656 20 5 FDBDHN CNC(=O)c1ccc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373259 523411899 /nfs/dbraw/zinc/41/18/99/523411899.db2.gz VFSWYEDFCMTHPJ-CQSZACIVSA-N 0 3 350.419 1.459 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080060451 523827348 /nfs/dbraw/zinc/82/73/48/523827348.db2.gz IMMFXUVBCZBDFP-OAHLLOKOSA-N 0 3 364.446 1.600 20 5 FDBDHN COc1cc(OCC(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068777450 523858591 /nfs/dbraw/zinc/85/85/91/523858591.db2.gz ABMAEVHUQOKIEK-UHFFFAOYSA-N 0 3 351.403 1.925 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000121312984 524218694 /nfs/dbraw/zinc/21/86/94/524218694.db2.gz FRLTWZCBOUXQEL-CQSZACIVSA-N 0 3 360.414 1.847 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCN(Cc2cccs2)CC1 ZINC000145695510 524405153 /nfs/dbraw/zinc/40/51/53/524405153.db2.gz FCTHZQKOPZTWQQ-UHFFFAOYSA-N 0 3 363.443 1.881 20 5 FDBDHN COc1ccc(OCCN2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000173625112 524424575 /nfs/dbraw/zinc/42/45/75/524424575.db2.gz JBJRDMUZWYJGDC-ZDUSSCGKSA-N 0 3 351.403 1.960 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122360754 524517744 /nfs/dbraw/zinc/51/77/44/524517744.db2.gz OYNWPLRBAHTAHW-OCCSQVGLSA-N 0 3 369.443 1.708 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCS1(=O)=O ZINC000090466381 524596894 /nfs/dbraw/zinc/59/68/94/524596894.db2.gz KFYAKFNRWLLXQS-RISCZKNCSA-N 0 3 355.416 1.479 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000090590795 524606478 /nfs/dbraw/zinc/60/64/78/524606478.db2.gz HBARMPNQNXMXLT-HUUCEWRRSA-N 0 3 353.444 1.743 20 5 FDBDHN O=C(NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000174710999 524700010 /nfs/dbraw/zinc/70/00/10/524700010.db2.gz FCSMEIBNSTXNPX-QGZVFWFLSA-N 0 3 373.413 1.047 20 5 FDBDHN CN(CCCN1CCN(C)CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000174729599 524713469 /nfs/dbraw/zinc/71/34/69/524713469.db2.gz GGVQYCKQDBAMAI-UHFFFAOYSA-N 0 3 374.445 1.714 20 5 FDBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000152004076 524751392 /nfs/dbraw/zinc/75/13/92/524751392.db2.gz MGNXVSLNASLIFC-INIZCTEOSA-N 0 3 358.398 1.696 20 5 FDBDHN CN(C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000114211210 524759419 /nfs/dbraw/zinc/75/94/19/524759419.db2.gz DGFHUJCQXYQGDU-UHFFFAOYSA-N 0 3 357.432 1.125 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000159933001 524771914 /nfs/dbraw/zinc/77/19/14/524771914.db2.gz IZPSSDPHVUYGPE-AWEZNQCLSA-N 0 3 355.822 1.754 20 5 FDBDHN Cc1nccn1CCCN(C)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000160258256 524843731 /nfs/dbraw/zinc/84/37/31/524843731.db2.gz KUQATYJEMMWIBL-INIZCTEOSA-N 0 3 371.397 1.754 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000152429380 524882310 /nfs/dbraw/zinc/88/23/10/524882310.db2.gz FEBYSCZJCWLJIR-OAHLLOKOSA-N 0 3 364.377 1.113 20 5 FDBDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000093280304 524978459 /nfs/dbraw/zinc/97/84/59/524978459.db2.gz OCIHFKAHFYSYBV-JSGCOSHPSA-N 0 3 354.407 1.063 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000152777912 525004622 /nfs/dbraw/zinc/00/46/22/525004622.db2.gz WMFRCLVMXZRYFS-AWEZNQCLSA-N 0 3 364.377 1.113 20 5 FDBDHN CC(C)(C)CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161432309 525106277 /nfs/dbraw/zinc/10/62/77/525106277.db2.gz LVGKSRILEPEYOM-UHFFFAOYSA-N 0 3 352.439 1.555 20 5 FDBDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000161449218 525110901 /nfs/dbraw/zinc/11/09/01/525110901.db2.gz LVBBWMGTGGUXSO-CYBMUJFWSA-N 0 3 371.459 1.308 20 5 FDBDHN O=C(CCN1CCN(C2CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177751477 525340753 /nfs/dbraw/zinc/34/07/53/525340753.db2.gz NQXCCHLUXJFPTN-UHFFFAOYSA-N 0 3 362.430 1.720 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000103998556 525384861 /nfs/dbraw/zinc/38/48/61/525384861.db2.gz SYFSNSKRCNZZQP-CQSZACIVSA-N 0 3 374.401 1.016 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000154090615 525419432 /nfs/dbraw/zinc/41/94/32/525419432.db2.gz GZTXWFSJTSUZHT-GFCCVEGCSA-N 0 3 353.810 1.386 20 5 FDBDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000163614777 525431102 /nfs/dbraw/zinc/43/11/02/525431102.db2.gz FEXAUWLOLDRPJY-ZFWWWQNUSA-N 0 3 355.460 1.882 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000179419008 525582610 /nfs/dbraw/zinc/58/26/10/525582610.db2.gz AOWQAYILMQRWEQ-CQSZACIVSA-N 0 3 364.446 1.808 20 5 FDBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119601246 525801226 /nfs/dbraw/zinc/80/12/26/525801226.db2.gz AICXJYWZTLIADX-WFASDCNBSA-N 0 3 357.414 1.887 20 5 FDBDHN COCCCN1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000119739477 525844814 /nfs/dbraw/zinc/84/48/14/525844814.db2.gz DWTWTKZXHYHOAJ-UHFFFAOYSA-N 0 3 364.446 1.937 20 5 FDBDHN CCO[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181612323 525880460 /nfs/dbraw/zinc/88/04/60/525880460.db2.gz CSCOAGPAJAUSMZ-HUUCEWRRSA-N 0 3 371.459 1.666 20 5 FDBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000119842326 525884752 /nfs/dbraw/zinc/88/47/52/525884752.db2.gz IVSABGRPFWIUJI-CQSZACIVSA-N 0 3 365.434 1.354 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132080988 525933855 /nfs/dbraw/zinc/93/38/55/525933855.db2.gz VLKDVMCBCSXREE-GDBMZVCRSA-N 0 3 372.429 1.698 20 5 FDBDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109133155 526078948 /nfs/dbraw/zinc/07/89/48/526078948.db2.gz LWTGDVFOSRAGTH-IUODEOHRSA-N 0 3 356.386 1.205 20 5 FDBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000109312972 526108014 /nfs/dbraw/zinc/10/80/14/526108014.db2.gz FFYZVYYLLPAGAZ-MRXNPFEDSA-N 0 3 372.429 1.699 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000184217045 536117002 /nfs/dbraw/zinc/11/70/02/536117002.db2.gz ZIXJJQCYEVKVRQ-UHFFFAOYSA-N 0 3 374.445 1.617 20 5 FDBDHN COc1cc(CN2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000184231782 536120547 /nfs/dbraw/zinc/12/05/47/536120547.db2.gz WIBCMDNWPYTNNU-CYBMUJFWSA-N 0 3 353.394 1.897 20 5 FDBDHN CCc1n[n-]c(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)c1[N+](=O)[O-] ZINC000185739628 536216488 /nfs/dbraw/zinc/21/64/88/536216488.db2.gz KLEDNIUCEXRGMI-LBPRGKRZSA-N 0 3 365.434 1.644 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186225017 536229302 /nfs/dbraw/zinc/22/93/02/536229302.db2.gz UFLQFDMECLBXPK-MRXNPFEDSA-N 0 3 361.402 1.338 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000186732733 536242613 /nfs/dbraw/zinc/24/26/13/536242613.db2.gz ZPWKQDRGYXESTE-LBPRGKRZSA-N 0 3 350.419 1.956 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000187371310 536263733 /nfs/dbraw/zinc/26/37/33/536263733.db2.gz SPLPNCNFYPALEH-UHFFFAOYSA-N 0 3 350.419 1.796 20 5 FDBDHN COc1cc(OCC(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000188042654 536281076 /nfs/dbraw/zinc/28/10/76/536281076.db2.gz POEJVGWHRNDLSU-UHFFFAOYSA-N 0 3 351.403 1.925 20 5 FDBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000188841093 536958668 /nfs/dbraw/zinc/95/86/68/536958668.db2.gz NFHDZCDQDLXHLZ-UHFFFAOYSA-N 0 3 360.414 1.969 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000267856192 536999909 /nfs/dbraw/zinc/99/99/09/536999909.db2.gz XSWWQONIGGFNBQ-LBPRGKRZSA-N 0 3 350.375 1.095 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189118277 537000356 /nfs/dbraw/zinc/00/03/56/537000356.db2.gz NIIQRVFZFOMIPO-CQSZACIVSA-N 0 3 370.475 1.040 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000246988376 537064308 /nfs/dbraw/zinc/06/43/08/537064308.db2.gz YIULVLYZOYFWAB-GUYCJALGSA-N 0 3 370.413 1.732 20 5 FDBDHN Nc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000265796057 537173314 /nfs/dbraw/zinc/17/33/14/537173314.db2.gz PJCBSTYFDMRZGT-ZIAGYGMSSA-N 0 3 358.402 1.262 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248432466 537181164 /nfs/dbraw/zinc/18/11/64/537181164.db2.gz VOYWFNONWYGRMR-DZGCQCFKSA-N 0 3 353.444 1.841 20 5 FDBDHN CC(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248467135 537186324 /nfs/dbraw/zinc/18/63/24/537186324.db2.gz SRAFIMKALVELDP-LSDHHAIUSA-N 0 3 351.403 1.183 20 5 FDBDHN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266303729 537197114 /nfs/dbraw/zinc/19/71/14/537197114.db2.gz YZACTBIIUFFEIH-VXGBXAGGSA-N 0 3 356.448 1.422 20 5 FDBDHN Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C)cccc1[N+](=O)[O-] ZINC000285783761 537278473 /nfs/dbraw/zinc/27/84/73/537278473.db2.gz CEKZYZRSOOTLES-HIFRSBDPSA-N 0 3 361.402 1.330 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000272976591 537368207 /nfs/dbraw/zinc/36/82/07/537368207.db2.gz UIVGMMPJUCTFNS-UHFFFAOYSA-N 0 3 364.402 1.485 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000195340219 537402646 /nfs/dbraw/zinc/40/26/46/537402646.db2.gz JJBOFPXOPGLMJD-UHFFFAOYSA-N 0 3 354.432 1.186 20 5 FDBDHN CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1N(C)C ZINC000271158631 537407100 /nfs/dbraw/zinc/40/71/00/537407100.db2.gz RJEYGDYBLYUXQP-KGLIPLIRSA-N 0 3 357.407 1.617 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000280823633 537469677 /nfs/dbraw/zinc/46/96/77/537469677.db2.gz YJOXADSULBSCQW-ZDUSSCGKSA-N 0 3 352.439 1.474 20 5 FDBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(C)CC1 ZINC000291798948 537678014 /nfs/dbraw/zinc/67/80/14/537678014.db2.gz BCFSCTXKGLRGOE-UHFFFAOYSA-N 0 3 368.409 1.889 20 5 FDBDHN CSc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000294287659 537680485 /nfs/dbraw/zinc/68/04/85/537680485.db2.gz CLHZYZJMDNRIGR-CQSZACIVSA-N 0 3 363.443 1.932 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)C1 ZINC000292336451 537728118 /nfs/dbraw/zinc/72/81/18/537728118.db2.gz UPGKLKITVNDZCT-KRWDZBQOSA-N 0 3 356.386 1.343 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292602478 537747930 /nfs/dbraw/zinc/74/79/30/537747930.db2.gz RYNOKPBLTUFCAE-KRWDZBQOSA-N 0 3 360.370 1.057 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnn(Cc3ccccc3)c2)c1 ZINC000390203256 537767872 /nfs/dbraw/zinc/76/78/72/537767872.db2.gz RJKDAYKYCNNUFX-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000366600705 537793893 /nfs/dbraw/zinc/79/38/93/537793893.db2.gz PLSFPCHDOPXDRX-LBPRGKRZSA-N 0 3 357.407 1.479 20 5 FDBDHN COC(=O)c1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000416521394 537876501 /nfs/dbraw/zinc/87/65/01/537876501.db2.gz HTMIHHWBVQWUEZ-UHFFFAOYSA-N 0 3 371.415 1.144 20 5 FDBDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000412379042 537978190 /nfs/dbraw/zinc/97/81/90/537978190.db2.gz VRBAWBJWLCYOSL-HNNXBMFYSA-N 0 3 365.430 1.959 20 5 FDBDHN Cc1c([C@@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000372778448 538025305 /nfs/dbraw/zinc/02/53/05/538025305.db2.gz CGUCCTKNBSHEED-SJORKVTESA-N 0 3 362.474 1.960 20 5 FDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415425969 538043465 /nfs/dbraw/zinc/04/34/65/538043465.db2.gz MHYSUCHIDFRARA-VIFPVBQESA-N 0 3 374.344 1.624 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369777331 538065304 /nfs/dbraw/zinc/06/53/04/538065304.db2.gz ISBLVBXXOUFVDD-BBRMVZONSA-N 0 3 361.446 1.275 20 5 FDBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000450816783 538159423 /nfs/dbraw/zinc/15/94/23/538159423.db2.gz CSWRAWZMZFRFQY-WDEREUQCSA-N 0 3 352.391 1.248 20 5 FDBDHN CC(C)(C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423994230 538206346 /nfs/dbraw/zinc/20/63/46/538206346.db2.gz BTORPWKLLMBGCI-INIZCTEOSA-N 0 3 372.429 1.786 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424006091 538210491 /nfs/dbraw/zinc/21/04/91/538210491.db2.gz UBOKNCMLNDUPGQ-LLVKDONJSA-N 0 3 373.359 1.678 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000427646952 538225079 /nfs/dbraw/zinc/22/50/79/538225079.db2.gz UCBRBSZQHGNBPG-AWEZNQCLSA-N 0 3 351.403 1.426 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424302284 538276464 /nfs/dbraw/zinc/27/64/64/538276464.db2.gz ZDEGVXCBFBYVEK-LSDHHAIUSA-N 0 3 358.402 1.002 20 5 FDBDHN COc1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424421575 538294406 /nfs/dbraw/zinc/29/44/06/538294406.db2.gz YQJBPAJCBDNCBU-QWHCGFSZSA-N 0 3 360.374 1.296 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000446385156 538294901 /nfs/dbraw/zinc/29/49/01/538294901.db2.gz ZLGBOQUFBUDZLH-DHSIGJKJSA-N 0 3 363.414 1.752 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000434785030 538350622 /nfs/dbraw/zinc/35/06/22/538350622.db2.gz NFJKMEIGGDDLGD-BETUJISGSA-N 0 3 353.423 1.105 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421306288 538392028 /nfs/dbraw/zinc/39/20/28/538392028.db2.gz VRJWZYIPHAPEBS-LLVKDONJSA-N 0 3 354.794 1.739 20 5 FDBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCO1 ZINC000449882104 538427750 /nfs/dbraw/zinc/42/77/50/538427750.db2.gz VCVJQKUHLNWKJI-AWEZNQCLSA-N 0 3 359.386 1.183 20 5 FDBDHN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000560563315 545545090 /nfs/dbraw/zinc/54/50/90/545545090.db2.gz OHMXPQBNDCAHQW-NEPJUHHUSA-N 0 3 368.459 1.258 20 5 FDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000560582786 545549676 /nfs/dbraw/zinc/54/96/76/545549676.db2.gz HTGXZGQGAAJJMW-NEPJUHHUSA-N 0 3 369.443 1.867 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488525265 538742796 /nfs/dbraw/zinc/74/27/96/538742796.db2.gz XOXYKXGWHCJCBD-DZGCQCFKSA-N 0 3 358.402 1.213 20 5 FDBDHN COc1ccc(C(=O)N2CCN(c3ccncc3OC)CC2)cc1[N+](=O)[O-] ZINC000478485271 538746733 /nfs/dbraw/zinc/74/67/33/538746733.db2.gz DRDCARNBIDVIJP-UHFFFAOYSA-N 0 3 372.381 1.969 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000474346071 538834995 /nfs/dbraw/zinc/83/49/95/538834995.db2.gz PGYCRGKSFIYJIM-DOMZBBRYSA-N 0 3 363.414 1.719 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cn3cccn3)cc2)c1 ZINC000562450011 546144205 /nfs/dbraw/zinc/14/42/05/546144205.db2.gz QPFVMNIYHUNAOD-KRWDZBQOSA-N 0 3 356.386 1.187 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000563116498 546413620 /nfs/dbraw/zinc/41/36/20/546413620.db2.gz JFTASIGVHKDIKD-ZDUSSCGKSA-N 0 3 374.401 1.521 20 5 FDBDHN Nc1nccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000563393192 546516955 /nfs/dbraw/zinc/51/69/55/546516955.db2.gz BWYXBDYPGAAEGS-ZDUSSCGKSA-N 0 3 357.370 1.391 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000563856618 546710594 /nfs/dbraw/zinc/71/05/94/546710594.db2.gz WGDRHJKRINVVCI-UKRRQHHQSA-N 0 3 350.350 1.795 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000563897491 546727714 /nfs/dbraw/zinc/72/77/14/546727714.db2.gz RJZPLJJQTMDMRE-JTQLQIEISA-N 0 3 356.810 1.353 20 5 FDBDHN CN1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000564786111 547036307 /nfs/dbraw/zinc/03/63/07/547036307.db2.gz HONBBHMJYRVGSK-CYBMUJFWSA-N 0 3 355.826 1.075 20 5 FDBDHN CCCN1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000567693472 548217048 /nfs/dbraw/zinc/21/70/48/548217048.db2.gz TZRUBHGLDOGRTO-CYBMUJFWSA-N 0 3 369.443 1.217 20 5 FDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568512120 548568760 /nfs/dbraw/zinc/56/87/60/548568760.db2.gz IIIACFCBNLHXAC-QGZVFWFLSA-N 0 3 368.393 1.296 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(F)cc(Br)c2)c1 ZINC000568710273 548645820 /nfs/dbraw/zinc/64/58/20/548645820.db2.gz SMRHUZNCJVKAFE-CYBMUJFWSA-N 0 3 373.182 1.844 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000569644671 548992235 /nfs/dbraw/zinc/99/22/35/548992235.db2.gz HWQFKTMEPTVYFM-INIZCTEOSA-N 0 3 370.475 1.654 20 5 FDBDHN CN(C(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000570949011 549472488 /nfs/dbraw/zinc/47/24/88/549472488.db2.gz UHJAUJVDXZPBCC-MSOLQXFVSA-N 0 3 363.414 1.467 20 5 FDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000571756619 549752278 /nfs/dbraw/zinc/75/22/78/549752278.db2.gz XZGFLAPEEBVLNZ-CYBMUJFWSA-N 0 3 353.444 1.609 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000571846184 549779549 /nfs/dbraw/zinc/77/95/49/549779549.db2.gz PJIMFRIFNRPUKA-MLGOLLRUSA-N 0 3 362.430 1.894 20 5 FDBDHN CC[C@@H]1CN(C)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000573389460 550127185 /nfs/dbraw/zinc/12/71/85/550127185.db2.gz HVULPNDGMPGIES-CQSZACIVSA-N 0 3 351.403 1.673 20 5 FDBDHN CC(=O)N1CCC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000575174476 550439168 /nfs/dbraw/zinc/43/91/68/550439168.db2.gz GCFXJXNLJREPSG-UHFFFAOYSA-N 0 3 369.443 1.217 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000576598988 550566794 /nfs/dbraw/zinc/56/67/94/550566794.db2.gz MDVMYZFSZLOYIM-AWEZNQCLSA-N 0 3 366.418 1.120 20 5 FDBDHN CN(C)CCN(C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000578692724 550791069 /nfs/dbraw/zinc/79/10/69/550791069.db2.gz DGUNMFYHBFMWAG-UHFFFAOYSA-N 0 3 358.464 1.294 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CCO)CCCC2)cc1 ZINC000578769997 550800311 /nfs/dbraw/zinc/80/03/11/550800311.db2.gz GQCCSQUXMLSYLN-UHFFFAOYSA-N 0 3 356.444 1.901 20 5 FDBDHN CCN1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000579646157 550895376 /nfs/dbraw/zinc/89/53/76/550895376.db2.gz PMEVSUZEQFIVQW-CYBMUJFWSA-N 0 3 351.403 1.673 20 5 FDBDHN Cc1nccn1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580184848 550952177 /nfs/dbraw/zinc/95/21/77/550952177.db2.gz XWECBKZVLYNGED-UHFFFAOYSA-N 0 3 352.416 1.553 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2Cc3ccccc3O2)cc1 ZINC000580356594 550970936 /nfs/dbraw/zinc/97/09/36/550970936.db2.gz KUNMWXIVUCGCHY-HNNXBMFYSA-N 0 3 362.407 1.962 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000580871992 551027192 /nfs/dbraw/zinc/02/71/92/551027192.db2.gz YLYRFANXGKEKHJ-UHFFFAOYSA-N 0 3 367.450 1.951 20 5 FDBDHN CC(C)(C)NS(=O)(=O)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581290074 551072115 /nfs/dbraw/zinc/07/21/15/551072115.db2.gz SCTDPMVWFOSAEO-QWHCGFSZSA-N 0 3 373.479 1.583 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000581365044 551080642 /nfs/dbraw/zinc/08/06/42/551080642.db2.gz AYYOEAAHSZDZBC-GFCCVEGCSA-N 0 3 350.400 1.239 20 5 FDBDHN CCc1n[nH]c(C(=O)NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000581401460 551084827 /nfs/dbraw/zinc/08/48/27/551084827.db2.gz KGNHQCUFWDOAFW-UHFFFAOYSA-N 0 3 362.390 1.146 20 5 FDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000581425303 551087213 /nfs/dbraw/zinc/08/72/13/551087213.db2.gz JUKOBWPNTDFBEH-BZZMCLGOSA-N 0 3 366.414 1.651 20 5 FDBDHN CN(C)[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000583272245 551328389 /nfs/dbraw/zinc/32/83/89/551328389.db2.gz DVHPEDKVMHUOMK-STQMWFEESA-N 0 3 357.794 1.150 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CCN(c4ccncc4)CC3)cc2n(C)c1=O ZINC000587029679 551629864 /nfs/dbraw/zinc/62/98/64/551629864.db2.gz IXDSFGSZKXOAAO-UHFFFAOYSA-N 0 3 368.397 1.507 20 5 FDBDHN COc1cnccc1N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000588038762 551642544 /nfs/dbraw/zinc/64/25/44/551642544.db2.gz XHEYGTBLFBYPNJ-UHFFFAOYSA-N 0 3 357.370 1.424 20 5 FDBDHN CCCN1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000588064129 551644332 /nfs/dbraw/zinc/64/43/32/551644332.db2.gz ZSRHZEMALISXNU-BBRMVZONSA-N 0 3 362.430 1.704 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590279923 551769545 /nfs/dbraw/zinc/76/95/45/551769545.db2.gz DZBQMBHCBYUBSA-FZMZJTMJSA-N 0 3 362.386 1.095 20 5 FDBDHN CN1CCN(CC2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399038 551780309 /nfs/dbraw/zinc/78/03/09/551780309.db2.gz DQSLOVWZDQALBF-UHFFFAOYSA-N 0 3 361.446 1.103 20 5 FDBDHN CN1C[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000591985922 551923761 /nfs/dbraw/zinc/92/37/61/551923761.db2.gz PVDVVACJVZFPON-HIFRSBDPSA-N 0 3 355.398 1.846 20 5 FDBDHN NC(=O)NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131047 551947113 /nfs/dbraw/zinc/94/71/13/551947113.db2.gz RVUKJLPUVIHGLO-HDJSIYSDSA-N 0 3 364.402 1.285 20 5 FDBDHN CC(C)(C)[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000592566042 552009925 /nfs/dbraw/zinc/00/99/25/552009925.db2.gz KBQVNELAAAJJIS-OAHLLOKOSA-N 0 3 374.445 1.883 20 5 FDBDHN CCCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(C)C1 ZINC000592832141 552033464 /nfs/dbraw/zinc/03/34/64/552033464.db2.gz RGUROMWNERDSKM-OAHLLOKOSA-N 0 3 362.430 1.576 20 5 FDBDHN O=C([C@@H]1CNCCC1(F)F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592964065 552049887 /nfs/dbraw/zinc/04/98/87/552049887.db2.gz DVERCQDIMOXSJV-PWSUYJOCSA-N 0 3 355.345 1.247 20 5 FDBDHN COc1ccc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000593039500 552054690 /nfs/dbraw/zinc/05/46/90/552054690.db2.gz AZAJFMZUUAQAEB-HNNXBMFYSA-N 0 3 361.402 1.435 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593054960 552056471 /nfs/dbraw/zinc/05/64/71/552056471.db2.gz OOUDXSOJORCJGM-SNVBAGLBSA-N 0 3 352.288 1.519 20 5 FDBDHN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593529460 552124084 /nfs/dbraw/zinc/12/40/84/552124084.db2.gz BFMDNFVHEBRQMS-UHFFFAOYSA-N 0 3 356.448 1.780 20 5 FDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594246172 552270299 /nfs/dbraw/zinc/27/02/99/552270299.db2.gz NDXQFXPPWKAPDB-JSGCOSHPSA-N 0 3 355.398 2.137 20 5 FDBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594327939 552289249 /nfs/dbraw/zinc/28/92/49/552289249.db2.gz YDARANCFCGVEAH-GOEBONIOSA-N 0 3 360.414 1.975 20 5 FDBDHN NC[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000594524066 552327790 /nfs/dbraw/zinc/32/77/90/552327790.db2.gz HUGPSOCXZUWRGM-GFCCVEGCSA-N 0 3 361.324 1.316 20 5 FDBDHN N[C@H]1C[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000594694226 552356295 /nfs/dbraw/zinc/35/62/95/552356295.db2.gz HFMXQVMZIFTNRO-ZJUUUORDSA-N 0 3 355.192 1.106 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594717515 552362324 /nfs/dbraw/zinc/36/23/24/552362324.db2.gz AKIRMBGSFAVGFU-WCQYABFASA-N 0 3 366.340 1.632 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(OC3CC3)c2F)c1 ZINC000594716004 552362594 /nfs/dbraw/zinc/36/25/94/552362594.db2.gz GIIYOABOJRGDAX-CYBMUJFWSA-N 0 3 350.350 1.622 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCn1cc(C(N)=O)nn1 ZINC000595045078 552442041 /nfs/dbraw/zinc/44/20/41/552442041.db2.gz RATJJHGICHKVRR-NSHDSACASA-N 0 3 362.390 1.425 20 5 FDBDHN CCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000595131505 552461512 /nfs/dbraw/zinc/46/15/12/552461512.db2.gz MOHUFKJSXIRDQG-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000595275987 552510306 /nfs/dbraw/zinc/51/03/06/552510306.db2.gz UHVOJCCPKKKBHU-UHFFFAOYSA-N 0 3 372.385 1.423 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595383739 552543453 /nfs/dbraw/zinc/54/34/53/552543453.db2.gz DWWURKUJCCEXMY-OAHLLOKOSA-N 0 3 369.443 1.123 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595383147 552543639 /nfs/dbraw/zinc/54/36/39/552543639.db2.gz AGHJKHLLCHNOEO-AWEZNQCLSA-N 0 3 369.443 1.123 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595385242 552544487 /nfs/dbraw/zinc/54/44/87/552544487.db2.gz XDVZOBTVQLAIJJ-AWEZNQCLSA-N 0 3 369.443 1.123 20 5 FDBDHN CCOc1ccc(NC(=O)CNC2(COC)CCOCC2)c([N+](=O)[O-])c1 ZINC000595499005 552572951 /nfs/dbraw/zinc/57/29/51/552572951.db2.gz JVXFKIVYBZLZGK-UHFFFAOYSA-N 0 3 367.402 1.717 20 5 FDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000595522143 552578285 /nfs/dbraw/zinc/57/82/85/552578285.db2.gz IUMWFARVSXDAOO-MRXNPFEDSA-N 0 3 362.430 1.690 20 5 FDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595593865 552590118 /nfs/dbraw/zinc/59/01/18/552590118.db2.gz AVCYUZCQYJRDJV-MSOLQXFVSA-N 0 3 360.410 1.870 20 5 FDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595593866 552590131 /nfs/dbraw/zinc/59/01/31/552590131.db2.gz AVCYUZCQYJRDJV-QZTJIDSGSA-N 0 3 360.410 1.870 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595658979 552598179 /nfs/dbraw/zinc/59/81/79/552598179.db2.gz LGGWGMFLVAULQM-KRWDZBQOSA-N 0 3 367.402 1.405 20 5 FDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCC[C@@H]12 ZINC000595734619 552608441 /nfs/dbraw/zinc/60/84/41/552608441.db2.gz UMCBEZRCNFHCJG-ARFHVFGLSA-N 0 3 363.414 1.810 20 5 FDBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000595767270 552613277 /nfs/dbraw/zinc/61/32/77/552613277.db2.gz BBJPRRZFCQKWEI-CJNGLKHVSA-N 0 3 357.414 1.928 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596051015 552650089 /nfs/dbraw/zinc/65/00/89/552650089.db2.gz KNUBERXTCZJEOX-SNVBAGLBSA-N 0 3 357.310 1.114 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc3c2OC(F)(F)O3)c1 ZINC000596070693 552652124 /nfs/dbraw/zinc/65/21/24/552652124.db2.gz RRFFPXUUTUASQW-LLVKDONJSA-N 0 3 356.285 1.264 20 5 FDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC2(CNC2)C1 ZINC000596581078 552691308 /nfs/dbraw/zinc/69/13/08/552691308.db2.gz VPLGZWPYSWIMGO-JTQLQIEISA-N 0 3 355.778 1.216 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596655047 552697555 /nfs/dbraw/zinc/69/75/55/552697555.db2.gz SJMRZKFFHBJALE-JTQLQIEISA-N 0 3 360.374 1.056 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000597401089 552784581 /nfs/dbraw/zinc/78/45/81/552784581.db2.gz FSEPAMVVTNCYTI-OAHLLOKOSA-N 0 3 374.441 1.686 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597693192 552822864 /nfs/dbraw/zinc/82/28/64/552822864.db2.gz BWKSPHZCKIVJLJ-GOEBONIOSA-N 0 3 351.378 1.598 20 5 FDBDHN CN1CCN(CC2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000597695518 552823149 /nfs/dbraw/zinc/82/31/49/552823149.db2.gz SEHGRTSAEZJAAP-UHFFFAOYSA-N 0 3 357.414 1.396 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859636 552841754 /nfs/dbraw/zinc/84/17/54/552841754.db2.gz WQDOVPHOROBNPO-SWLSCSKDSA-N 0 3 362.430 1.702 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062486 552862301 /nfs/dbraw/zinc/86/23/01/552862301.db2.gz PBWWXKQLHQMVFG-UHFFFAOYSA-N 0 3 358.402 1.215 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598535311 552906693 /nfs/dbraw/zinc/90/66/93/552906693.db2.gz ASTYMWIOMXBWNX-OAHLLOKOSA-N 0 3 365.434 1.283 20 5 FDBDHN Cc1nn(C)c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000598535518 552906801 /nfs/dbraw/zinc/90/68/01/552906801.db2.gz FFLVXZQXQCBVAP-ZDUSSCGKSA-N 0 3 365.434 1.352 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)c([N+](=O)[O-])c1 ZINC000599412866 553050837 /nfs/dbraw/zinc/05/08/37/553050837.db2.gz PQRQWWMUFQQFCC-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(N3CCOCC3)CC2)c1 ZINC000599474334 553067942 /nfs/dbraw/zinc/06/79/42/553067942.db2.gz OZGGVBYWJFWPOX-KRWDZBQOSA-N 0 3 365.430 1.131 20 5 FDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599627781 553107072 /nfs/dbraw/zinc/10/70/72/553107072.db2.gz ZDNOQXQITAWKKD-DGIRIXITSA-N 0 3 351.359 1.664 20 5 FDBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599632294 553108327 /nfs/dbraw/zinc/10/83/27/553108327.db2.gz XANKVFDLGONMTB-IYPVNNRCSA-N 0 3 351.428 1.909 20 5 FDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600007918 553198515 /nfs/dbraw/zinc/19/85/15/553198515.db2.gz HHZSAQBLBRBYRN-UHFFFAOYSA-N 0 3 365.405 1.990 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470791 553273267 /nfs/dbraw/zinc/27/32/67/553273267.db2.gz ILAWCQXXJLPAAM-GUYCJALGSA-N 0 3 374.441 1.846 20 5 FDBDHN COc1cccc([C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)OC)c1 ZINC000600746394 553310293 /nfs/dbraw/zinc/31/02/93/553310293.db2.gz SMRPDGVMNQEIDE-GDBMZVCRSA-N 0 3 350.375 1.138 20 5 FDBDHN Cn1c(=O)oc2ccc(CNC[C@H](O)COc3ccccc3[N+](=O)[O-])cc21 ZINC000600757234 553311994 /nfs/dbraw/zinc/31/19/94/553311994.db2.gz RFAXILYRZYYCGM-ZDUSSCGKSA-N 0 3 373.365 1.569 20 5 FDBDHN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)CCCN1CCCC1)CC2 ZINC000601390378 553391629 /nfs/dbraw/zinc/39/16/29/553391629.db2.gz TXLQYWDENPGQHE-UHFFFAOYSA-N 0 3 354.432 1.164 20 5 FDBDHN O=C([C@@H]1CCN1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602059379 553510550 /nfs/dbraw/zinc/51/05/50/553510550.db2.gz YZCQGMZWJKVCRP-INIZCTEOSA-N 0 3 359.430 1.655 20 5 FDBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)N2CCSCC2)cc1 ZINC000602539644 553602271 /nfs/dbraw/zinc/60/22/71/553602271.db2.gz TXXAEYJELMSATP-UHFFFAOYSA-N 0 3 359.473 1.106 20 5 FDBDHN O=[N+]([O-])c1ccc(CCNC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000602700218 553624713 /nfs/dbraw/zinc/62/47/13/553624713.db2.gz MUWIZUUQEIRHTH-OAHLLOKOSA-N 0 3 362.407 1.962 20 5 FDBDHN COCC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603882500 553823519 /nfs/dbraw/zinc/82/35/19/553823519.db2.gz SFCFVPXQLXJEMK-UHFFFAOYSA-N 0 3 364.402 1.150 20 5 FDBDHN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000603930002 553831128 /nfs/dbraw/zinc/83/11/28/553831128.db2.gz BXPSXWFBCXJHHT-NEPJUHHUSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000604511341 553882749 /nfs/dbraw/zinc/88/27/49/553882749.db2.gz YJOWQAQGQRPNSC-UHFFFAOYSA-N 0 3 369.385 1.791 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000609533530 554389132 /nfs/dbraw/zinc/38/91/32/554389132.db2.gz RUIHBOSBHMEFRA-LRDDRELGSA-N 0 3 360.414 1.408 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(C)(C)CO)CC1 ZINC000609845860 554428407 /nfs/dbraw/zinc/42/84/07/554428407.db2.gz KQWBVRSFQVEQCN-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000610002558 554448239 /nfs/dbraw/zinc/44/82/39/554448239.db2.gz RKRVGURBDJOWSK-HNNXBMFYSA-N 0 3 362.430 1.720 20 5 FDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610401370 554499969 /nfs/dbraw/zinc/49/99/69/554499969.db2.gz KUYDMYOOGHTGBU-MRXNPFEDSA-N 0 3 350.419 1.847 20 5 FDBDHN CN(C)CCn1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610478221 554516127 /nfs/dbraw/zinc/51/61/27/554516127.db2.gz UAHITPDCYZQIKM-UHFFFAOYSA-N 0 3 362.390 1.553 20 5 FDBDHN CC[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610810705 554565230 /nfs/dbraw/zinc/56/52/30/554565230.db2.gz XGYIBXMAVUEMKC-MRXNPFEDSA-N 0 3 370.475 1.213 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610925005 554581299 /nfs/dbraw/zinc/58/12/99/554581299.db2.gz CNUCECBDKUMWAG-GFCCVEGCSA-N 0 3 363.370 1.307 20 5 FDBDHN CCOC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611185540 554613342 /nfs/dbraw/zinc/61/33/42/554613342.db2.gz HKBUHDOWTAXWGV-UHFFFAOYSA-N 0 3 351.403 1.812 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000611234378 554618223 /nfs/dbraw/zinc/61/82/23/554618223.db2.gz WGKZRDIAXYPGTM-HNNXBMFYSA-N 0 3 357.414 1.970 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CNCCC1CCS(=O)(=O)CC1)OCCO2 ZINC000611257867 554619859 /nfs/dbraw/zinc/61/98/59/554619859.db2.gz MADTZDNTBRCNPC-UHFFFAOYSA-N 0 3 370.427 1.671 20 5 FDBDHN COc1cc(C(=O)NCCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000616230376 555282802 /nfs/dbraw/zinc/28/28/02/555282802.db2.gz XUJMVSTXPVTWCD-UHFFFAOYSA-N 0 3 364.446 1.669 20 5 FDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618588136 555653249 /nfs/dbraw/zinc/65/32/49/555653249.db2.gz PZZMOINSSAGTAE-HNNXBMFYSA-N 0 3 358.402 1.390 20 5 FDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871692 555846754 /nfs/dbraw/zinc/84/67/54/555846754.db2.gz UFYFOHIQQJJYIO-CYBMUJFWSA-N 0 3 373.413 1.798 20 5 FDBDHN COCCC[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821687733 607345949 /nfs/dbraw/zinc/34/59/49/607345949.db2.gz MIJCQNAUULWCPU-UHFFFAOYSA-N 0 3 361.406 1.688 20 5 FDBDHN C[NH+]1CCC([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)CC1 ZINC000826021686 607903807 /nfs/dbraw/zinc/90/38/07/607903807.db2.gz CWMHYMFBBNXQBE-AWEZNQCLSA-N 0 3 357.418 1.943 20 5 FDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000275836582 674648912 /nfs/dbraw/zinc/64/89/12/674648912.db2.gz UYXMFSWPKUUXHP-RHSMWYFYSA-N 0 3 351.403 1.752 20 5 FDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123002251 671722188 /nfs/dbraw/zinc/72/21/88/671722188.db2.gz ZQFHUROUYNILFN-UHFFFAOYSA-N 0 3 352.210 1.245 20 5 FDBDHN CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262148500 672735389 /nfs/dbraw/zinc/73/53/89/672735389.db2.gz PALPGDUBNDOWAN-INIZCTEOSA-N 0 3 350.419 1.431 20 5 FDBDHN CCN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280503385 675429765 /nfs/dbraw/zinc/42/97/65/675429765.db2.gz JDNVAQXSOVASFE-UHFFFAOYSA-N 0 3 350.419 1.036 20 5 FDBDHN COc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281768290 675556801 /nfs/dbraw/zinc/55/68/01/675556801.db2.gz LXEUHENVIZIEBA-UHFFFAOYSA-N 0 3 350.419 1.359 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285233920 675808171 /nfs/dbraw/zinc/80/81/71/675808171.db2.gz BFUWKZYTPQRPBG-ONXXMXGDSA-N 0 3 369.443 1.849 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000298379840 676457309 /nfs/dbraw/zinc/45/73/09/676457309.db2.gz AMIRWLKRAKZIIM-UHFFFAOYSA-N 0 3 357.432 1.758 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1N1CCCC1 ZINC000332075791 676736669 /nfs/dbraw/zinc/73/66/69/676736669.db2.gz FWPRUHJQUXQQIU-QWHCGFSZSA-N 0 3 351.432 1.224 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])n1 ZINC000416664925 679710620 /nfs/dbraw/zinc/71/06/20/679710620.db2.gz UKKQMWQWAUFTHC-UHFFFAOYSA-N 0 3 359.452 1.306 20 5 FDBDHN COC(=O)c1cnc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364571696 677031482 /nfs/dbraw/zinc/03/14/82/677031482.db2.gz ACFLANJLQNKDOY-ZDUSSCGKSA-N 0 3 350.375 1.442 20 5 FDBDHN O=C1OCCC12CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000370087399 677542590 /nfs/dbraw/zinc/54/25/90/677542590.db2.gz RITXZVGJYANMKA-AWEZNQCLSA-N 0 3 350.371 1.364 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)CN1CCOCC1 ZINC000412001646 679140867 /nfs/dbraw/zinc/14/08/67/679140867.db2.gz HHATVZOIQQEQOG-UHFFFAOYSA-N 0 3 350.419 1.542 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1F ZINC000412243889 679167265 /nfs/dbraw/zinc/16/72/65/679167265.db2.gz FZXKYFQRPIUCLY-SMDDNHRTSA-N 0 3 351.378 1.838 20 5 FDBDHN Cc1c(NC(=O)NC[C@H]2CNCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000415667227 679475279 /nfs/dbraw/zinc/47/52/79/679475279.db2.gz XXXHUYPQJGQYHE-SNVBAGLBSA-N 0 3 373.207 1.776 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCNC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420330307 680432640 /nfs/dbraw/zinc/43/26/40/680432640.db2.gz HTNIIGMBFAXOJS-INIZCTEOSA-N 0 3 354.382 1.565 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)n1 ZINC000427697068 680981719 /nfs/dbraw/zinc/98/17/19/680981719.db2.gz LTVXSFWZHLFSTN-WCQYABFASA-N 0 3 353.448 1.463 20 5 FDBDHN COCCN(C)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438029880 681830533 /nfs/dbraw/zinc/83/05/33/681830533.db2.gz WETFHOJTOQTHFW-UHFFFAOYSA-N 0 3 350.419 1.847 20 5 FDBDHN CCN(CC)CC[C@@H](CO)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000439122871 681908162 /nfs/dbraw/zinc/90/81/62/681908162.db2.gz ZNOANHPCPBPEAU-LBPRGKRZSA-N 0 3 359.448 1.503 20 5 FDBDHN CC(C)OCCN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439174831 681909450 /nfs/dbraw/zinc/90/94/50/681909450.db2.gz ZRGVTOLUHDPZKP-UHFFFAOYSA-N 0 3 350.419 1.995 20 5 FDBDHN CN1CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000443092307 682232496 /nfs/dbraw/zinc/23/24/96/682232496.db2.gz WBSRYRWASRJOED-UHFFFAOYSA-N 0 3 370.475 1.040 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475113444 685560267 /nfs/dbraw/zinc/56/02/67/685560267.db2.gz UPRMSHPATYSQLE-GZBFAFLISA-N 0 3 350.371 1.349 20 5 FDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NCC1CCC1 ZINC000449120292 682666690 /nfs/dbraw/zinc/66/66/90/682666690.db2.gz CINZJCIATPKPHT-ZDUSSCGKSA-N 0 3 355.460 1.835 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458201991 683840000 /nfs/dbraw/zinc/84/00/00/683840000.db2.gz MUOMHAYEFMUFLP-UHFFFAOYSA-N 0 3 351.432 1.902 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466229820 684808080 /nfs/dbraw/zinc/80/80/80/684808080.db2.gz ZUWUCVIWBBSOTP-GFCCVEGCSA-N 0 3 356.810 1.768 20 5 FDBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCNCC1 ZINC000470002163 684998438 /nfs/dbraw/zinc/99/84/38/684998438.db2.gz HEFDDJXAXFSJNL-CQSZACIVSA-N 0 3 366.849 1.892 20 5 FDBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472564404 685220112 /nfs/dbraw/zinc/22/01/12/685220112.db2.gz NJWJEYZAJLHBRO-LLVKDONJSA-N 0 3 352.366 1.521 20 5 FDBDHN COc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476044956 685672976 /nfs/dbraw/zinc/67/29/76/685672976.db2.gz XFCHTGCGMWZROK-CYBMUJFWSA-N 0 3 350.419 1.217 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](OC)[C@@H](OC)C1 ZINC000488028797 687022931 /nfs/dbraw/zinc/02/29/31/687022931.db2.gz VEJCQPRSKPJQGZ-GJZGRUSLSA-N 0 3 353.375 1.278 20 5 FDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CCN(C)CC1 ZINC000498062645 687742722 /nfs/dbraw/zinc/74/27/22/687742722.db2.gz KTAKZYZZEDODFW-UHFFFAOYSA-N 0 3 353.444 1.845 20 5 FDBDHN C[C@@H]1CN(C[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000511106082 689468860 /nfs/dbraw/zinc/46/88/60/689468860.db2.gz KMTDLQRDIOPURD-INMHGKMJSA-N 0 3 351.447 1.539 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000524776276 694578828 /nfs/dbraw/zinc/57/88/28/694578828.db2.gz NDOBPQBXSXGDMU-NSHDSACASA-N 0 3 366.443 1.244 20 5 FDBDHN CNC(=O)CN1CCCC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164686268 719700586 /nfs/dbraw/zinc/70/05/86/719700586.db2.gz YPJNTKMIGAENNA-UHFFFAOYSA-N 0 3 367.837 1.824 20 5 FDBDHN COc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164761012 721092768 /nfs/dbraw/zinc/09/27/68/721092768.db2.gz AJGRRCRRBCWQJA-GJZGRUSLSA-N 0 3 372.429 1.690 20 5 FDBDHN Nc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164865447 721102676 /nfs/dbraw/zinc/10/26/76/721102676.db2.gz LJOYIJYWTJYKOZ-GJZGRUSLSA-N 0 3 370.413 1.447 20 5 FDBDHN O=C(CN[C@H]1CCOC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934402960 782623303 /nfs/dbraw/zinc/62/33/03/782623303.db2.gz DJWHUWAFWPPPLU-INIZCTEOSA-N 0 3 361.398 1.412 20 5 FDBDHN O=C1[C@H](N[C@@H]2CCOC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934401404 782626287 /nfs/dbraw/zinc/62/62/87/782626287.db2.gz WKIRUODUQQODET-HZPDHXFCSA-N 0 3 361.398 1.628 20 5 FDBDHN Cc1ccoc1-c1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022064116 777701592 /nfs/dbraw/zinc/70/15/92/777701592.db2.gz WXXXYDYWSVDUOC-WRWGMCAJSA-N 0 3 361.358 1.040 20 5 FDBDHN COC(=O)c1cc(NC(=O)C2(N)Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000376790410 790721394 /nfs/dbraw/zinc/72/13/94/790721394.db2.gz BNXLUAWPXMCVHN-UHFFFAOYSA-N 0 3 355.350 1.816 20 5 FDBDHN Cc1c(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000480058966 783340934 /nfs/dbraw/zinc/34/09/34/783340934.db2.gz HITJVIBDTQHFEK-AWEZNQCLSA-N 0 3 363.462 1.728 20 5 FDBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN2CCC1CC2 ZINC000892767614 791149357 /nfs/dbraw/zinc/14/93/57/791149357.db2.gz XUCPIOPYEKICDN-GOSISDBHSA-N 0 3 355.398 1.995 20 5 FDBDHN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)CN1CCOCC1 ZINC000414056236 786760339 /nfs/dbraw/zinc/76/03/39/786760339.db2.gz YUODPVCGMDSMSS-UHFFFAOYSA-N 0 3 361.402 1.654 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377584562 792275620 /nfs/dbraw/zinc/27/56/20/792275620.db2.gz SJUIZCYCNIWLRU-HUUCEWRRSA-N 0 3 364.402 1.266 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1F ZINC000412338048 793859766 /nfs/dbraw/zinc/85/97/66/793859766.db2.gz KOYUWYOOSGKEDE-RYUDHWBXSA-N 0 3 369.393 1.463 20 5 FDBDHN CC(=O)N[C@@H](C)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000481152135 794142244 /nfs/dbraw/zinc/14/22/44/794142244.db2.gz GVAHFTVIDFMBOH-GUYCJALGSA-N 0 3 365.430 1.571 20 5 FDBDHN CC(=O)Nc1cccc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000981136852 807575592 /nfs/dbraw/zinc/57/55/92/807575592.db2.gz IVOKYYUWAGVULX-IAGOWNOFSA-N 0 3 360.414 1.345 20 5 FDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893876688 809784204 /nfs/dbraw/zinc/78/42/04/809784204.db2.gz PTVRWAWLPHNNBX-IRXDYDNUSA-N 0 3 362.430 1.378 20 5 FDBDHN CCC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000280689350 811895180 /nfs/dbraw/zinc/89/51/80/811895180.db2.gz JDROPBSULDWERW-MRXNPFEDSA-N 0 3 374.441 1.930 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413203715 813397155 /nfs/dbraw/zinc/39/71/55/813397155.db2.gz PDRZCCNVUQCTQP-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000430107810 815744652 /nfs/dbraw/zinc/74/46/52/815744652.db2.gz YNIDSWYCXLXQIH-HNNXBMFYSA-N 0 3 373.413 1.647 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](n2ccnn2)C1 ZINC000425503457 816395428 /nfs/dbraw/zinc/39/54/28/816395428.db2.gz JAJDOALGOICBLM-AWEZNQCLSA-N 0 3 372.385 1.821 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 ZINC000427491534 818859457 /nfs/dbraw/zinc/85/94/57/818859457.db2.gz XIUCYKUBHNJQOU-YOEHRIQHSA-N 0 3 372.429 1.971 20 5 FDBDHN C[C@@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1[N+](=O)[O-] ZINC000896316729 824310845 /nfs/dbraw/zinc/31/08/45/824310845.db2.gz GJKJGEWWKHAOTB-COXVUDFISA-N 0 3 362.430 1.896 20 5 FDBDHN CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897219079 827178113 /nfs/dbraw/zinc/17/81/13/827178113.db2.gz JBEFCQWXCTWJEO-KGLIPLIRSA-N 0 3 350.419 1.812 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448906449 829294708 /nfs/dbraw/zinc/29/47/08/829294708.db2.gz AULFJXOHRBROMG-UHFFFAOYSA-N 0 3 361.402 1.431 20 5 FDBDHN Cc1nc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450453222 829969572 /nfs/dbraw/zinc/96/95/72/829969572.db2.gz OKBACVIYKLZVBX-GOSISDBHSA-N 0 3 357.414 1.766 20 5 FDBDHN CC(C)c1nnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001029964613 831932667 /nfs/dbraw/zinc/93/26/67/831932667.db2.gz RELSYHURAFCLPC-ZIAGYGMSSA-N 0 3 364.450 1.264 20 5 FDBDHN Cc1nn(C)c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428532787 831949617 /nfs/dbraw/zinc/94/96/17/831949617.db2.gz FOWOQSBICZJBAL-AWEZNQCLSA-N 0 3 359.386 1.456 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCN1C ZINC000454773755 835675891 /nfs/dbraw/zinc/67/58/91/835675891.db2.gz DPOPJIDLIPXLGB-KGLIPLIRSA-N 0 3 362.434 1.304 20 5 FDBDHN COCCN(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906667 846859100 /nfs/dbraw/zinc/85/91/00/846859100.db2.gz KOEYTCSVHMYXRX-SNVBAGLBSA-N 0 3 352.309 1.932 20 5 FDBDHN O=C(NCCNCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936255 848588071 /nfs/dbraw/zinc/58/80/71/848588071.db2.gz CYEAPRHXBHDVNO-CRAIPNDOSA-N 0 3 369.425 1.232 20 5 FDBDHN CN(CCO)CCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000912609109 859952326 /nfs/dbraw/zinc/95/23/26/859952326.db2.gz YCXQXOAOTOJZSS-UHFFFAOYSA-N 0 3 364.427 1.714 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)c2cc(F)ccc2F)cc1 ZINC000916966602 882736035 /nfs/dbraw/zinc/73/60/35/882736035.db2.gz CVNPGGYWHNHNFK-IKGGRYGDSA-N 0 3 368.336 1.591 20 5 FDBDHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCc3ccccc3C2)c2nonc21 ZINC000914863050 874880327 /nfs/dbraw/zinc/88/03/27/874880327.db2.gz FAHUPQHOTHFOLU-AWEZNQCLSA-N 0 3 369.381 1.962 20 5 FDBDHN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCN(CC2CC2)CC1 ZINC000132594941 878225836 /nfs/dbraw/zinc/22/58/36/878225836.db2.gz KMMOKUFYHAELCB-UHFFFAOYSA-N 0 3 359.386 1.397 20 5 FDBDHN CCCc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001002781452 893935622 /nfs/dbraw/zinc/93/56/22/893935622.db2.gz CITZKFUXWQDSTN-ZIAGYGMSSA-N 0 3 350.419 1.681 20 5 FDBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001164288519 904784088 /nfs/dbraw/zinc/78/40/88/904784088.db2.gz QHXQQNOYMBJSDC-UHFFFAOYSA-N 0 3 369.856 1.265 20 5 FDBDHN CC(C)(C)OC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000744386444 926659472 /nfs/dbraw/zinc/65/94/72/926659472.db2.gz FAEXFJMTIWGQRW-AWEZNQCLSA-N 0 3 369.422 1.141 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000770176155 929887022 /nfs/dbraw/zinc/88/70/22/929887022.db2.gz ZNLJNJRPJVRAOF-CQSZACIVSA-N 0 3 374.445 1.087 20 5 FDBDHN CN(C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789909310 933253498 /nfs/dbraw/zinc/25/34/98/933253498.db2.gz XSTRJYRIDSRMCJ-UHFFFAOYSA-N 0 3 353.364 1.343 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101558 941325439 /nfs/dbraw/zinc/32/54/39/941325439.db2.gz DGNSLGGBEWOWDA-ONGXEEELSA-N 0 3 362.429 1.418 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109613 941334120 /nfs/dbraw/zinc/33/41/20/941334120.db2.gz UQTVKDAECNXZGP-LBPRGKRZSA-N 0 3 374.415 1.304 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[N+](=O)[O-] ZINC000813109068 941334128 /nfs/dbraw/zinc/33/41/28/941334128.db2.gz DWAJHAZHXLGJDQ-JTQLQIEISA-N 0 3 358.306 1.898 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[N+](=O)[O-] ZINC000813109072 941334282 /nfs/dbraw/zinc/33/42/82/941334282.db2.gz DWAJHAZHXLGJDQ-SNVBAGLBSA-N 0 3 358.306 1.898 20 5 FDBDHN CC(COC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109272 941334806 /nfs/dbraw/zinc/33/48/06/941334806.db2.gz QTHMSOVOPDERPT-LLVKDONJSA-N 0 3 369.399 1.056 20 5 FDBDHN Cc1ccc(S(=O)(=O)NCCCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813110713 941335284 /nfs/dbraw/zinc/33/52/84/941335284.db2.gz IACQCPGWXKZCSF-CYBMUJFWSA-N 0 3 358.416 1.570 20 5 FDBDHN COc1ccc(CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000818168084 943178603 /nfs/dbraw/zinc/17/86/03/943178603.db2.gz OXOVFCSUWWCJDW-ZDUSSCGKSA-N 0 3 369.418 1.921 20 5 FDBDHN CS(=O)(=O)Cc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818991092 943375416 /nfs/dbraw/zinc/37/54/16/943375416.db2.gz VWHRURJKZPUHAQ-QGZVFWFLSA-N 0 3 364.423 1.963 20 5 FDBDHN O=C(CCN1CCC[C@@H](n2ccnn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823469514 945772513 /nfs/dbraw/zinc/77/25/13/945772513.db2.gz XRQPRTJTRLPQQT-CYBMUJFWSA-N 0 3 362.365 1.991 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823950121 946090157 /nfs/dbraw/zinc/09/01/57/946090157.db2.gz CVWLABHOMLLTCJ-LBPRGKRZSA-N 0 3 363.418 1.894 20 5 FDBDHN CC([C@H](OC(=O)COCc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876364 950048574 /nfs/dbraw/zinc/04/85/74/950048574.db2.gz CPSKDEFEVPLABS-BONVTDFDSA-N 0 3 352.322 1.421 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CCN2CCOCC2)c1F ZINC001173187337 961956814 /nfs/dbraw/zinc/95/68/14/961956814.db2.gz ZLDZJAWUYGKSHG-CYBMUJFWSA-N 0 3 355.410 1.938 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C(=O)N(C)C[C@@H]3C2)c1F ZINC001173189443 961957080 /nfs/dbraw/zinc/95/70/80/961957080.db2.gz XDGXAZBBEYCIAS-LOWVWBTDSA-N 0 3 351.378 1.694 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 ZINC001173697990 962587971 /nfs/dbraw/zinc/58/79/71/962587971.db2.gz YVAKIDUITYYODK-CQSZACIVSA-N 0 3 369.443 1.205 20 5 FDBDHN COc1c([O-])ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001182873840 962619233 /nfs/dbraw/zinc/61/92/33/962619233.db2.gz MPEASUAUHJWGBI-FPMFFAJLSA-N 0 3 354.403 1.965 20 5 FDBDHN CN1C[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C(C)(C)C1 ZINC001178709511 964391421 /nfs/dbraw/zinc/39/14/21/964391421.db2.gz OGUGDXGFVPOKFH-MRXNPFEDSA-N 0 3 357.414 1.910 20 5 FDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000852636752 967487686 /nfs/dbraw/zinc/48/76/86/967487686.db2.gz MFSBAYJJOFLTNK-MRXNPFEDSA-N 0 3 374.441 1.916 20 5 FDBDHN CCN(Cc1nnc(C)o1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713268 1013854381 /nfs/dbraw/zinc/85/43/81/1013854381.db2.gz VGGMJRYJPSZNPG-ZIAGYGMSSA-N 0 3 351.407 1.104 20 5 FDBDHN CCN(Cc1nccs1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713120 1013854942 /nfs/dbraw/zinc/85/49/42/1013854942.db2.gz NAXCRPCOVXBHAB-ZIAGYGMSSA-N 0 3 352.460 1.869 20 5 FDBDHN CN1CCN(C2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000866215191 975493389 /nfs/dbraw/zinc/49/33/89/975493389.db2.gz VRSXXTWXWMJRJG-UHFFFAOYSA-N 0 3 372.429 1.460 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000794964248 976373212 /nfs/dbraw/zinc/37/32/12/976373212.db2.gz OTWUBMQGQNMKKB-HBYGRHMLSA-N 0 3 351.334 1.413 20 5 FDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867815311 976926328 /nfs/dbraw/zinc/92/63/28/976926328.db2.gz ZPIYHDBBANPQNL-CMPLNLGQSA-N 0 3 359.835 1.963 20 5 FDBDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000849508768 977704097 /nfs/dbraw/zinc/70/40/97/977704097.db2.gz XCZKPJSHOXDPBI-DLBZAZTESA-N 0 3 357.414 1.680 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882769162 981664720 /nfs/dbraw/zinc/66/47/20/981664720.db2.gz KFYJUEYCGBJCCU-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN COCCN1CCC[C@H]1COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000861035962 983595510 /nfs/dbraw/zinc/59/55/10/983595510.db2.gz NQKYMCPSHPRHSD-LBPRGKRZSA-N 0 3 352.343 1.591 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862188760 984219719 /nfs/dbraw/zinc/21/97/19/984219719.db2.gz OIPVZZQLHOLZDK-UHFFFAOYSA-N 0 3 356.810 1.340 20 5 FDBDHN C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036742 987444511 /nfs/dbraw/zinc/44/45/11/987444511.db2.gz VWSSYZLXZLEVDT-GFCCVEGCSA-N 0 3 352.410 1.937 20 5 FDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000294669688 988523173 /nfs/dbraw/zinc/52/31/73/988523173.db2.gz VGNUTVZRVSKRNR-KRWDZBQOSA-N 0 3 372.425 1.506 20 5 FDBDHN Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000874841472 990566856 /nfs/dbraw/zinc/56/68/56/990566856.db2.gz DHJNVRKFWJVDGK-HZPDHXFCSA-N 0 3 370.413 1.793 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000372363906 991042380 /nfs/dbraw/zinc/04/23/80/991042380.db2.gz CRQZXOXFDYHNGN-CJNGLKHVSA-N 0 3 364.421 1.832 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000876473840 992641836 /nfs/dbraw/zinc/64/18/36/992641836.db2.gz ZYHFBKQDMBSBCW-MRXNPFEDSA-N 0 3 355.366 1.153 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000826114364 995105489 /nfs/dbraw/zinc/10/54/89/995105489.db2.gz XZMUJKXENPZTQU-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2Cc3ccccc3OC3(CCC3)C2)c1 ZINC000887150907 996967742 /nfs/dbraw/zinc/96/77/42/996967742.db2.gz CDRWBPAKCQZJBJ-MRXNPFEDSA-N 0 3 358.398 1.970 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889751305 998592201 /nfs/dbraw/zinc/59/22/01/998592201.db2.gz SNEILBXYKIFLPO-HUUCEWRRSA-N 0 3 351.378 1.334 20 5 FDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889778684 998650311 /nfs/dbraw/zinc/65/03/11/998650311.db2.gz BERYBDGSRPYRIC-IAGOWNOFSA-N 0 3 374.441 1.840 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000267322302 999311347 /nfs/dbraw/zinc/31/13/47/999311347.db2.gz DFBLCRUVFAFCBP-LSDHHAIUSA-N 0 3 362.430 1.576 20 5 FDBDHN CCOc1ccc([C@@H](C)NCCn2cc(C(=O)OC)nn2)cc1[N+](=O)[O-] ZINC000284394445 999823349 /nfs/dbraw/zinc/82/33/49/999823349.db2.gz PIWKPHBWQBHKSF-LLVKDONJSA-N 0 3 363.374 1.722 20 5 FDBDHN O=C(CCN1CCN(CCCCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000931496155 1004214409 /nfs/dbraw/zinc/21/44/09/1004214409.db2.gz RYSUZLPPAQQUKA-UHFFFAOYSA-N 0 3 364.446 1.704 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932703325 1005110099 /nfs/dbraw/zinc/11/00/99/1005110099.db2.gz MUHIGKRZGNMZHQ-CQSZACIVSA-N 0 3 366.437 1.809 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507374827 538916228 /nfs/dbraw/zinc/91/62/28/538916228.db2.gz JWHKKAKBAJBKAV-UHFFFAOYSA-N 0 3 352.410 1.624 20 5 FDBDHN Cn1cc(CNC[C@@H]2CCS(=O)(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237926543 178338565 /nfs/dbraw/zinc/33/85/65/178338565.db2.gz ROCCUJAWRXSXOM-LBPRGKRZSA-N 0 3 364.427 1.520 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264869333 179226196 /nfs/dbraw/zinc/22/61/96/179226196.db2.gz GMBVODXNNCILMQ-OAHLLOKOSA-N 0 3 364.446 1.363 20 5 FDBDHN CC(C)OCCOC[C@@H](O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000265238764 179319455 /nfs/dbraw/zinc/31/94/55/179319455.db2.gz KPBMQAZYPWTRDX-INIZCTEOSA-N 0 3 356.419 1.708 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268587075 180120702 /nfs/dbraw/zinc/12/07/02/180120702.db2.gz RNYYXDBNIUYGNA-INIZCTEOSA-N 0 3 357.414 1.833 20 5 FDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269594079 180336392 /nfs/dbraw/zinc/33/63/92/180336392.db2.gz FSDLLSHSPDLWCR-MCIONIFRSA-N 0 3 350.419 1.239 20 5 FDBDHN O=C1CCCN1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274127299 181029528 /nfs/dbraw/zinc/02/95/28/181029528.db2.gz VTHGZIKPUKTLFJ-UHFFFAOYSA-N 0 3 372.429 1.606 20 5 FDBDHN C[C@@H]1CN(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000538409883 540854124 /nfs/dbraw/zinc/85/41/24/540854124.db2.gz AVDIHGCLGGIBQB-CQSZACIVSA-N 0 3 359.430 1.806 20 5 FDBDHN CCOc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000539268929 540941331 /nfs/dbraw/zinc/94/13/31/540941331.db2.gz YCHVCOUNERBNGX-WFASDCNBSA-N 0 3 364.402 1.910 20 5 FDBDHN CCN(C)CCNc1ccc(C(=O)N[C@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000540288680 541042937 /nfs/dbraw/zinc/04/29/37/541042937.db2.gz FQKPXRDUOCCQGF-LLVKDONJSA-N 0 3 352.391 1.250 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000541633708 541237929 /nfs/dbraw/zinc/23/79/29/541237929.db2.gz MPMPGXMQKLWQLU-OAHLLOKOSA-N 0 3 364.402 1.102 20 5 FDBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542068612 541329508 /nfs/dbraw/zinc/32/95/08/541329508.db2.gz RPEOXPCRXXQYNW-LLVKDONJSA-N 0 3 352.391 1.388 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)C2CCCCC2)cc1 ZINC000542255681 541366839 /nfs/dbraw/zinc/36/68/39/541366839.db2.gz AQRKYAJIGDSQBR-MRXNPFEDSA-N 0 3 356.444 1.899 20 5 FDBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000543839557 541670047 /nfs/dbraw/zinc/67/00/47/541670047.db2.gz OVBOYQLTUWIBMQ-INIZCTEOSA-N 0 3 356.382 1.486 20 5 FDBDHN COCC[C@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282424790 182009307 /nfs/dbraw/zinc/00/93/07/182009307.db2.gz YUKGXBCMFIFSMF-ZIAGYGMSSA-N 0 3 371.459 1.668 20 5 FDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282985705 182086637 /nfs/dbraw/zinc/08/66/37/182086637.db2.gz JWLAXBOCNKVKRF-SECBINFHSA-N 0 3 366.355 1.157 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)ccn1 ZINC000546483629 542154053 /nfs/dbraw/zinc/15/40/53/542154053.db2.gz NNCZSQPLLKVIIF-UHFFFAOYSA-N 0 3 359.346 1.381 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286379532 183052147 /nfs/dbraw/zinc/05/21/47/183052147.db2.gz KJDYIAKBBOIBCT-UHFFFAOYSA-N 0 3 370.400 1.763 20 5 FDBDHN CCc1n[nH]c(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000286520776 183086548 /nfs/dbraw/zinc/08/65/48/183086548.db2.gz VHFLHXYCECOSGP-RYUDHWBXSA-N 0 3 351.407 1.206 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000295315922 184058237 /nfs/dbraw/zinc/05/82/37/184058237.db2.gz CCZZALPRWWGZMH-CQSZACIVSA-N 0 3 350.419 1.360 20 5 FDBDHN COc1ccc(OCCN(C)[C@H]2CCN3CCO[C@H]2C3)c([N+](=O)[O-])c1 ZINC000295462734 184074037 /nfs/dbraw/zinc/07/40/37/184074037.db2.gz QFJVWNFIDVEJIE-YOEHRIQHSA-N 0 3 351.403 1.387 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295472919 184074876 /nfs/dbraw/zinc/07/48/76/184074876.db2.gz YOKVDDPBGXALEI-CYBMUJFWSA-N 0 3 370.413 1.732 20 5 FDBDHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295602722 184086717 /nfs/dbraw/zinc/08/67/17/184086717.db2.gz UOGCIZYVUUXMMU-JSGCOSHPSA-N 0 3 357.407 1.860 20 5 FDBDHN CCN(C)C(=O)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000296398513 184161717 /nfs/dbraw/zinc/16/17/17/184161717.db2.gz TUWYXNBYSRAXQK-CJNGLKHVSA-N 0 3 353.419 1.427 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000296659662 184188163 /nfs/dbraw/zinc/18/81/63/184188163.db2.gz XJBODOGVWDONAF-JTQLQIEISA-N 0 3 352.366 1.580 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000297507587 184279791 /nfs/dbraw/zinc/27/97/91/184279791.db2.gz XLGUFZZHHFTQMK-AWEZNQCLSA-N 0 3 366.418 1.249 20 5 FDBDHN CCN(CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000298034770 184379376 /nfs/dbraw/zinc/37/93/76/184379376.db2.gz FZVNSGOVMIFDQR-UHFFFAOYSA-N 0 3 354.794 1.787 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548112528 542558668 /nfs/dbraw/zinc/55/86/68/542558668.db2.gz ZDFQSBMGSYWUTE-LBPRGKRZSA-N 0 3 364.402 1.079 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548745227 542769630 /nfs/dbraw/zinc/76/96/30/542769630.db2.gz MBZYYDOVDUVIOP-IUODEOHRSA-N 0 3 355.398 1.822 20 5 FDBDHN O=C(CCNC[C@H](O)COc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548761125 542773295 /nfs/dbraw/zinc/77/32/95/542773295.db2.gz AVYMLTIMSUEMII-AWEZNQCLSA-N 0 3 359.382 1.953 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173262011 258294579 /nfs/dbraw/zinc/29/45/79/258294579.db2.gz ZDFRODVZQDYDQA-TZMCWYRMSA-N 0 3 371.459 1.954 20 5 FDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000549901305 542962824 /nfs/dbraw/zinc/96/28/24/542962824.db2.gz XTYHCLVTNMWDHA-MRXNPFEDSA-N 0 3 353.444 1.842 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000552152293 543426199 /nfs/dbraw/zinc/42/61/99/543426199.db2.gz WKBFJMYTSJQEOE-CQSZACIVSA-N 0 3 372.219 1.462 20 5 FDBDHN COc1ccc([C@H](CN(C)C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000552818519 543522383 /nfs/dbraw/zinc/52/23/83/543522383.db2.gz RQRFOMXYZKHZID-INIZCTEOSA-N 0 3 361.402 1.609 20 5 FDBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000072631363 172046187 /nfs/dbraw/zinc/04/61/87/172046187.db2.gz OHEVUYLPGHWRPW-JSGCOSHPSA-N 0 3 351.432 1.927 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1C ZINC000073842192 172069883 /nfs/dbraw/zinc/06/98/83/172069883.db2.gz ZSVDBNBMUYLWIF-ZDUSSCGKSA-N 0 3 353.444 1.974 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075738605 172094565 /nfs/dbraw/zinc/09/45/65/172094565.db2.gz HLOULCGFEBXWNV-QAPCUYQASA-N 0 3 359.430 1.359 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000079278610 172160232 /nfs/dbraw/zinc/16/02/32/172160232.db2.gz VAVRKEPPXABWSD-LBPRGKRZSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000083027294 172201754 /nfs/dbraw/zinc/20/17/54/172201754.db2.gz OBYKSEIHCCCAAW-HUUCEWRRSA-N 0 3 365.430 1.979 20 5 FDBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091373240 172284241 /nfs/dbraw/zinc/28/42/41/172284241.db2.gz TZAZRMOLFTYFTC-LBPRGKRZSA-N 0 3 365.411 1.972 20 5 FDBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000092515766 172299761 /nfs/dbraw/zinc/29/97/61/172299761.db2.gz DSRDCPUDOZCMDK-UHFFFAOYSA-N 0 3 372.429 1.951 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000127934448 173095849 /nfs/dbraw/zinc/09/58/49/173095849.db2.gz UQPYZGAYYAWABN-KRWDZBQOSA-N 0 3 352.435 1.529 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000150819311 173382475 /nfs/dbraw/zinc/38/24/75/173382475.db2.gz XKUDSVCIOMKIRB-TZMCWYRMSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(OCCN(C)C)c1 ZINC000151318231 173397300 /nfs/dbraw/zinc/39/73/00/173397300.db2.gz GLZHOUUKCQFJQD-UHFFFAOYSA-N 0 3 374.397 1.644 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000176720554 174084991 /nfs/dbraw/zinc/08/49/91/174084991.db2.gz ITIWCZONIKPLRX-UKRRQHHQSA-N 0 3 350.419 1.936 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177060585 174104337 /nfs/dbraw/zinc/10/43/37/174104337.db2.gz PCXQQFIMKOLRAK-WCQYABFASA-N 0 3 370.413 1.839 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000177679706 174150448 /nfs/dbraw/zinc/15/04/48/174150448.db2.gz VTFBSHYSKWUZSA-UHFFFAOYSA-N 0 3 373.413 1.634 20 5 FDBDHN COc1cc(CCNC(=O)[C@@H](N)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000177945986 174165084 /nfs/dbraw/zinc/16/50/84/174165084.db2.gz GWRMDHVSYJGOKU-HNNXBMFYSA-N 0 3 373.409 1.841 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000178199651 174177147 /nfs/dbraw/zinc/17/71/47/174177147.db2.gz CMUMSPKCHHNKIS-CQSZACIVSA-N 0 3 363.462 1.489 20 5 FDBDHN COc1ccc(OCCN2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173803276 258311571 /nfs/dbraw/zinc/31/15/71/258311571.db2.gz KZVIWFUKHUARHQ-OAHLLOKOSA-N 0 3 365.430 1.636 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178829862 258336543 /nfs/dbraw/zinc/33/65/43/258336543.db2.gz VTQUCDVMJRDWQI-OAHLLOKOSA-N 0 3 362.430 1.496 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000553796651 543698527 /nfs/dbraw/zinc/69/85/27/543698527.db2.gz VPDCAHUMEZGIKV-GOSISDBHSA-N 0 3 361.398 1.463 20 5 FDBDHN NC(=O)c1cccc(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000557642869 544322990 /nfs/dbraw/zinc/32/29/90/544322990.db2.gz SZSRHHBRLXTPOW-CQSZACIVSA-N 0 3 362.430 1.775 20 5 FDBDHN Cc1nn(C)c(NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000299594764 259009265 /nfs/dbraw/zinc/00/92/65/259009265.db2.gz UHHQIYMMVCQGOI-UHFFFAOYSA-N 0 3 359.434 1.656 20 5 FDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299729638 259019857 /nfs/dbraw/zinc/01/98/57/259019857.db2.gz WJIVBZGRHWZFKL-UHFFFAOYSA-N 0 3 354.794 1.739 20 5 FDBDHN CNC(=O)c1ccc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301249478 259024064 /nfs/dbraw/zinc/02/40/64/259024064.db2.gz BRKXWRJXGALWKB-HNNXBMFYSA-N 0 3 361.446 1.171 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301816446 259033913 /nfs/dbraw/zinc/03/39/13/259033913.db2.gz JIYQQMOSXQTFBZ-GFCCVEGCSA-N 0 3 353.810 1.562 20 5 FDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000301921433 259036430 /nfs/dbraw/zinc/03/64/30/259036430.db2.gz FVRWRUVORBAHIT-AWEZNQCLSA-N 0 3 366.393 1.661 20 5 FDBDHN CCN1CCN([C@@H]2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC000332112411 259242648 /nfs/dbraw/zinc/24/26/48/259242648.db2.gz JORHIUHVZDITOY-CYBMUJFWSA-N 0 3 364.450 1.293 20 5 FDBDHN CCN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC000332112411 259242649 /nfs/dbraw/zinc/24/26/49/259242649.db2.gz JORHIUHVZDITOY-CYBMUJFWSA-N 0 3 364.450 1.293 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363641032 259634482 /nfs/dbraw/zinc/63/44/82/259634482.db2.gz IKIZGNOIRARUQT-LBPRGKRZSA-N 0 3 374.401 1.930 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000367338896 260026955 /nfs/dbraw/zinc/02/69/55/260026955.db2.gz GLHAZVLMFARYMW-LJQANCHMSA-N 0 3 369.425 1.916 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCCN([C@H](C)CO)CC1 ZINC000367827277 260097009 /nfs/dbraw/zinc/09/70/09/260097009.db2.gz UBCCUFKGVOOOGR-CYBMUJFWSA-N 0 3 351.403 1.583 20 5 FDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccncc2)CC1 ZINC000368932583 260262971 /nfs/dbraw/zinc/26/29/71/260262971.db2.gz SMZFWOGSFAUHGA-UHFFFAOYSA-N 0 3 371.397 1.279 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000369008070 260275874 /nfs/dbraw/zinc/27/58/74/260275874.db2.gz CBOKAIACXBPKMF-UHFFFAOYSA-N 0 3 353.398 1.026 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000369274948 260330877 /nfs/dbraw/zinc/33/08/77/260330877.db2.gz UCDVALZNXDTQOL-CYBMUJFWSA-N 0 3 362.430 1.502 20 5 FDBDHN CN1CCC2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000373158950 260987837 /nfs/dbraw/zinc/98/78/37/260987837.db2.gz KRDMROHFLQEPQM-HNNXBMFYSA-N 0 3 363.414 1.279 20 5 FDBDHN N=C(NO)[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374172680 261088644 /nfs/dbraw/zinc/08/86/44/261088644.db2.gz IXBKHMMWGVHIGX-NSHDSACASA-N 0 3 355.782 1.997 20 5 FDBDHN CCOC(=O)[C@@]1(COC)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000374172439 261088870 /nfs/dbraw/zinc/08/88/70/261088870.db2.gz LNVGXYSMWPFXNO-KRWDZBQOSA-N 0 3 367.402 1.048 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000374432621 261130918 /nfs/dbraw/zinc/13/09/18/261130918.db2.gz ZQXZWSSKBSYKHD-SMDDNHRTSA-N 0 3 364.377 1.533 20 5 FDBDHN C[C@@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000374593536 261159422 /nfs/dbraw/zinc/15/94/22/261159422.db2.gz IXODYMWLJIEDGP-JKSUJKDBSA-N 0 3 354.428 1.916 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN4CCOC[C@@H]4C3)o2)c1 ZINC000375234353 261294820 /nfs/dbraw/zinc/29/48/20/261294820.db2.gz QGZVDLNIHMEMCX-INIZCTEOSA-N 0 3 358.398 1.809 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000375310137 261310004 /nfs/dbraw/zinc/31/00/04/261310004.db2.gz QZTUVBVHBQHJAF-NSHDSACASA-N 0 3 373.406 1.601 20 5 FDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000270922281 674287127 /nfs/dbraw/zinc/28/71/27/674287127.db2.gz WOGDTFDQKSEXCD-UHFFFAOYSA-N 0 3 354.432 1.130 20 5 FDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271127452 674312647 /nfs/dbraw/zinc/31/26/47/674312647.db2.gz MERWOEMHUZFIJF-KBPBESRZSA-N 0 3 368.415 1.929 20 5 FDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000277468054 518199864 /nfs/dbraw/zinc/19/98/64/518199864.db2.gz HPZMDSMJGPZHSR-HNNXBMFYSA-N 0 3 370.413 1.922 20 5 FDBDHN COc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008117379 518455914 /nfs/dbraw/zinc/45/59/14/518455914.db2.gz NPUIXAUKAOLOMX-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN COC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000026219660 519108747 /nfs/dbraw/zinc/10/87/47/519108747.db2.gz XDZKAIXBSBLJEF-UHFFFAOYSA-N 0 3 365.386 1.817 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000027754901 519195188 /nfs/dbraw/zinc/19/51/88/519195188.db2.gz DGQMDNCUMGUUKD-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN COc1cc(OCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000069127910 521814497 /nfs/dbraw/zinc/81/44/97/521814497.db2.gz DSOJSBPRTLGOOI-UHFFFAOYSA-N 0 3 351.403 1.974 20 5 FDBDHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056398741 521851258 /nfs/dbraw/zinc/85/12/58/521851258.db2.gz VPIMUMWRBMOTDJ-OAHLLOKOSA-N 0 3 363.462 1.983 20 5 FDBDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000048833667 522788036 /nfs/dbraw/zinc/78/80/36/522788036.db2.gz ZXWFSDMTFDDTDY-KRWDZBQOSA-N 0 3 370.409 1.822 20 5 FDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065893564 522909156 /nfs/dbraw/zinc/90/91/56/522909156.db2.gz DFQXVORUHKFTQI-UHFFFAOYSA-N 0 3 363.393 1.911 20 5 FDBDHN COC1CCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079670912 523780861 /nfs/dbraw/zinc/78/08/61/523780861.db2.gz QJOOOXGRXSGZID-UHFFFAOYSA-N 0 3 350.419 1.258 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000068574770 523827194 /nfs/dbraw/zinc/82/71/94/523827194.db2.gz IXDJEFNUAJYTRK-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081125584 523945139 /nfs/dbraw/zinc/94/51/39/523945139.db2.gz JQTHKJNEJKVNTG-MRXNPFEDSA-N 0 3 357.414 1.833 20 5 FDBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)cc1OC ZINC000139177851 524279353 /nfs/dbraw/zinc/27/93/53/524279353.db2.gz RHKHNOIXCAKCPD-LBPRGKRZSA-N 0 3 367.402 1.453 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000139777186 524297984 /nfs/dbraw/zinc/29/79/84/524297984.db2.gz XHDABKRQFISZMD-UHFFFAOYSA-N 0 3 356.386 1.532 20 5 FDBDHN Cc1ccc(NC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000157762952 524332809 /nfs/dbraw/zinc/33/28/09/524332809.db2.gz LTIPAXWCMFCOTF-UHFFFAOYSA-N 0 3 358.402 1.845 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000158232732 524426666 /nfs/dbraw/zinc/42/66/66/524426666.db2.gz IZGXXJVHZCTBBC-CQSZACIVSA-N 0 3 372.425 1.966 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2sccc2Br)c1 ZINC000148144695 524442922 /nfs/dbraw/zinc/44/29/22/524442922.db2.gz STACXUNYECWADZ-VIFPVBQESA-N 0 3 361.221 1.766 20 5 FDBDHN CC(C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)S(C)(=O)=O ZINC000112790900 524569620 /nfs/dbraw/zinc/56/96/20/524569620.db2.gz GCRPDEYMJVXTEP-SECBINFHSA-N 0 3 368.333 1.919 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112917364 524592733 /nfs/dbraw/zinc/59/27/33/524592733.db2.gz KVWZPXIZDPWVBL-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CCS(=O)(=O)c1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538290 524601589 /nfs/dbraw/zinc/60/15/89/524601589.db2.gz PLYBHAFEEIZNTH-LBPRGKRZSA-N 0 3 352.416 1.936 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000151571443 524617121 /nfs/dbraw/zinc/61/71/21/524617121.db2.gz VBQRWMPCCYLYHH-AWEZNQCLSA-N 0 3 374.397 1.207 20 5 FDBDHN COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])cc1F ZINC000151618227 524629593 /nfs/dbraw/zinc/62/95/93/524629593.db2.gz LJQWAQDACVXQLW-ZDUSSCGKSA-N 0 3 366.393 1.485 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000151632998 524636805 /nfs/dbraw/zinc/63/68/05/524636805.db2.gz XPAFVBFVHKPGRJ-ZDUSSCGKSA-N 0 3 353.810 1.386 20 5 FDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122959383 524650964 /nfs/dbraw/zinc/65/09/64/524650964.db2.gz LDIKKOYBTJCPHV-UHFFFAOYSA-N 0 3 352.210 1.245 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000114211177 524759559 /nfs/dbraw/zinc/75/95/59/524759559.db2.gz BOIAAQDRUMFAHN-UHFFFAOYSA-N 0 3 357.432 1.292 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160004617 524786514 /nfs/dbraw/zinc/78/65/14/524786514.db2.gz UUUZJGMQVFWWDJ-CQSZACIVSA-N 0 3 353.444 1.650 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CC1 ZINC000160178746 524824655 /nfs/dbraw/zinc/82/46/55/524824655.db2.gz GDLKRIOQESLAEM-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644106 524844637 /nfs/dbraw/zinc/84/46/37/524844637.db2.gz AXAWAASCHJVIMY-INIZCTEOSA-N 0 3 357.414 1.881 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000114676236 524848185 /nfs/dbraw/zinc/84/81/85/524848185.db2.gz BFACYLJTADULRA-UHFFFAOYSA-N 0 3 372.429 1.100 20 5 FDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000152425491 524882175 /nfs/dbraw/zinc/88/21/75/524882175.db2.gz FMKBVRZOKZNQDA-UHFFFAOYSA-N 0 3 364.446 1.893 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000124361834 524965238 /nfs/dbraw/zinc/96/52/38/524965238.db2.gz YVNUNTATENGRON-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000115433747 524994819 /nfs/dbraw/zinc/99/48/19/524994819.db2.gz WHKJOAPTFDPOBO-CYBMUJFWSA-N 0 3 358.402 1.589 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115444023 524997701 /nfs/dbraw/zinc/99/77/01/524997701.db2.gz BYCFXJQCSYLPEI-UONOGXRCSA-N 0 3 362.430 1.513 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000152906976 525042776 /nfs/dbraw/zinc/04/27/76/525042776.db2.gz YGLWMCHCZAUSCL-DGCLKSJQSA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000162435391 525259328 /nfs/dbraw/zinc/25/93/28/525259328.db2.gz AFLKONYEYIQHBL-KRWDZBQOSA-N 0 3 362.430 1.212 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000153778353 525320308 /nfs/dbraw/zinc/32/03/08/525320308.db2.gz ZNGIDYIXTWJPHY-JTQLQIEISA-N 0 3 354.794 1.645 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153991129 525383632 /nfs/dbraw/zinc/38/36/32/525383632.db2.gz HRGBBELWJJQAOI-KRWDZBQOSA-N 0 3 364.446 1.114 20 5 FDBDHN CN1CCN(CCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000104211002 525399977 /nfs/dbraw/zinc/39/99/77/525399977.db2.gz MYJZRBNHXUNCIM-UHFFFAOYSA-N 0 3 372.429 1.148 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000127935220 525480722 /nfs/dbraw/zinc/48/07/22/525480722.db2.gz LJCGDKGRKLXLHF-INIZCTEOSA-N 0 3 364.446 1.726 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154657231 525602217 /nfs/dbraw/zinc/60/22/17/525602217.db2.gz VDLQESYUXRKPRA-AWEZNQCLSA-N 0 3 366.437 1.666 20 5 FDBDHN COCCCN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000171194690 525890443 /nfs/dbraw/zinc/89/04/43/525890443.db2.gz JSSOMJJBPPCQGS-UHFFFAOYSA-N 0 3 350.419 1.895 20 5 FDBDHN CCN(C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181954735 525995316 /nfs/dbraw/zinc/99/53/16/525995316.db2.gz QTUHQGQQZOBOKK-CQSZACIVSA-N 0 3 355.460 1.642 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171448981 525997379 /nfs/dbraw/zinc/99/73/79/525997379.db2.gz KOVGBNQYBMPQTI-BBRMVZONSA-N 0 3 360.414 1.410 20 5 FDBDHN NC(=O)C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000182037075 526030289 /nfs/dbraw/zinc/03/02/89/526030289.db2.gz BOLQUEAKFMAUBQ-MRXNPFEDSA-N 0 3 374.441 1.898 20 5 FDBDHN C[C@H]1CN(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CCO1 ZINC000171749598 526105622 /nfs/dbraw/zinc/10/56/22/526105622.db2.gz BTHHBVMEBZWKHM-ZDUSSCGKSA-N 0 3 362.430 1.379 20 5 FDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000120710629 526159677 /nfs/dbraw/zinc/15/96/77/526159677.db2.gz IRELOJZJCKWJHW-AAEUAGOBSA-N 0 3 362.386 1.301 20 5 FDBDHN O=C(NCCN1CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000171880106 526164198 /nfs/dbraw/zinc/16/41/98/526164198.db2.gz CHSKTVXNDJEXPS-LBPRGKRZSA-N 0 3 366.443 1.473 20 5 FDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)O1 ZINC000183601967 536011719 /nfs/dbraw/zinc/01/17/19/536011719.db2.gz PKHUULDEBCDXGS-VXGBXAGGSA-N 0 3 351.407 1.191 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000186716226 536242178 /nfs/dbraw/zinc/24/21/78/536242178.db2.gz QNAMUALVRUXAGV-HNNXBMFYSA-N 0 3 371.397 1.069 20 5 FDBDHN CSc1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188177811 536285052 /nfs/dbraw/zinc/28/50/52/536285052.db2.gz YAEYWGVMGVTJQQ-ZDUSSCGKSA-N 0 3 366.487 1.930 20 5 FDBDHN CN(CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000189863129 537106792 /nfs/dbraw/zinc/10/67/92/537106792.db2.gz GRVQTGNWRCCDRH-UHFFFAOYSA-N 0 3 371.459 1.281 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000247501903 537127063 /nfs/dbraw/zinc/12/70/63/537127063.db2.gz VABDKMSWLVBUTM-TZMCWYRMSA-N 0 3 358.402 1.588 20 5 FDBDHN CCN1CCN([C@H](C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190912339 537190976 /nfs/dbraw/zinc/19/09/76/537190976.db2.gz ZWCFMMMBVVCABV-CQSZACIVSA-N 0 3 370.475 1.040 20 5 FDBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248701925 537207273 /nfs/dbraw/zinc/20/72/73/537207273.db2.gz AICXJYWZTLIADX-DOMZBBRYSA-N 0 3 357.414 1.887 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272549887 537298218 /nfs/dbraw/zinc/29/82/18/537298218.db2.gz RAFVQMRBNUNELI-HNNXBMFYSA-N 0 3 358.826 1.403 20 5 FDBDHN Cc1ccnc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000272769135 537332105 /nfs/dbraw/zinc/33/21/05/537332105.db2.gz APUJNIBZMGAMCQ-OAHLLOKOSA-N 0 3 361.402 1.399 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000290400699 537344207 /nfs/dbraw/zinc/34/42/07/537344207.db2.gz SPFBBIUIPMQHFC-GFCCVEGCSA-N 0 3 350.419 1.941 20 5 FDBDHN C[C@@H]1CN(CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000290837316 537418261 /nfs/dbraw/zinc/41/82/61/537418261.db2.gz VKEGSIUQGFHVJV-VXGBXAGGSA-N 0 3 351.407 1.390 20 5 FDBDHN Cc1cc(OCC(=O)NCCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000280731115 537447941 /nfs/dbraw/zinc/44/79/41/537447941.db2.gz DNESDMGKNWNPFP-HNNXBMFYSA-N 0 3 365.430 1.899 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000288258943 537471824 /nfs/dbraw/zinc/47/18/24/537471824.db2.gz GMEINWFJFVRYFM-DZGCQCFKSA-N 0 3 370.413 1.874 20 5 FDBDHN NC(=O)c1ccnc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000290977744 537498025 /nfs/dbraw/zinc/49/80/25/537498025.db2.gz QYOVXMVPXDPAAH-AWEZNQCLSA-N 0 3 371.397 1.267 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2nnnn2C)CC1 ZINC000363485554 537607061 /nfs/dbraw/zinc/60/70/61/537607061.db2.gz ALKJGOSGZLXRJQ-UHFFFAOYSA-N 0 3 361.406 1.276 20 5 FDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237061271 537609311 /nfs/dbraw/zinc/60/93/11/537609311.db2.gz JJEDPJLZWUHIIP-MRVPVSSYSA-N 0 3 366.237 1.491 20 5 FDBDHN O=C1NCCN1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000289969819 537638264 /nfs/dbraw/zinc/63/82/64/537638264.db2.gz QDDIPDDSFAGTPL-UHFFFAOYSA-N 0 3 373.417 1.008 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000237796425 537640855 /nfs/dbraw/zinc/64/08/55/537640855.db2.gz XSEHFRNVPNOMIL-UHFFFAOYSA-N 0 3 353.322 1.644 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292372089 537730952 /nfs/dbraw/zinc/73/09/52/537730952.db2.gz RBFSXGGFLYSRMO-FZKQIMNGSA-N 0 3 360.414 1.267 20 5 FDBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285760831 537756578 /nfs/dbraw/zinc/75/65/78/537756578.db2.gz IQUUQRYUKCAMGR-HNNXBMFYSA-N 0 3 359.386 1.893 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412259709 537962677 /nfs/dbraw/zinc/96/26/77/537962677.db2.gz RHRGEVVJCXZJJA-FHLIZLRMSA-N 0 3 360.458 1.841 20 5 FDBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000412564742 538000115 /nfs/dbraw/zinc/00/01/15/538000115.db2.gz PEPBUZRIVNLUJZ-UHFFFAOYSA-N 0 3 363.374 1.379 20 5 FDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)cc1[N+](=O)[O-] ZINC000419281765 538021287 /nfs/dbraw/zinc/02/12/87/538021287.db2.gz XXFVADWADRWOEF-PVXIVEMSSA-N 0 3 362.430 1.666 20 5 FDBDHN Cc1ccc([C@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000372782979 538026539 /nfs/dbraw/zinc/02/65/39/538026539.db2.gz PWWABOGZRCXGEU-WMZOPIPTSA-N 0 3 362.474 1.960 20 5 FDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419974419 538171684 /nfs/dbraw/zinc/17/16/84/538171684.db2.gz IHJGDZUSULTPLC-AWEZNQCLSA-N 0 3 362.430 1.575 20 5 FDBDHN COc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000446382214 538292777 /nfs/dbraw/zinc/29/27/77/538292777.db2.gz ALKFVGOBHZSTGE-XLWVJDPXSA-N 0 3 363.414 1.752 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420470510 538301769 /nfs/dbraw/zinc/30/17/69/538301769.db2.gz MTCORUSYSZNTSR-GXTWGEPZSA-N 0 3 365.386 1.849 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000442114508 538354926 /nfs/dbraw/zinc/35/49/26/538354926.db2.gz AMOYTVPEXSFYKY-MNOVXSKESA-N 0 3 350.375 1.141 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000501512209 538677775 /nfs/dbraw/zinc/67/77/75/538677775.db2.gz MFPUNDQTMFCSHQ-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN COC(=O)C[C@]1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000464600198 538700364 /nfs/dbraw/zinc/70/03/64/538700364.db2.gz GHXMKTRJCJUKLN-QGZVFWFLSA-N 0 3 365.386 1.544 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488668107 538758416 /nfs/dbraw/zinc/75/84/16/538758416.db2.gz RNSPODCWZFWFSD-UHFFFAOYSA-N 0 3 373.413 1.695 20 5 FDBDHN CCC[C@](C)(N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000497724380 538783127 /nfs/dbraw/zinc/78/31/27/538783127.db2.gz BFGFAOAYRXGNOW-HNNXBMFYSA-N 0 3 354.432 1.458 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561568030 545898816 /nfs/dbraw/zinc/89/88/16/545898816.db2.gz NLESKDYDLDNPLF-MRXNPFEDSA-N 0 3 364.446 1.890 20 5 FDBDHN CCN1CCC(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000562400534 546124654 /nfs/dbraw/zinc/12/46/54/546124654.db2.gz KCHYYZHTJWZSJV-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN CCN1CCC[C@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000563511858 546562901 /nfs/dbraw/zinc/56/29/01/546562901.db2.gz CQXJJMAMIPURAT-HNNXBMFYSA-N 0 3 362.430 1.963 20 5 FDBDHN COCCO[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564149579 546823298 /nfs/dbraw/zinc/82/32/98/546823298.db2.gz ZGRJQRZIGRYXMI-HUUCEWRRSA-N 0 3 354.403 1.462 20 5 FDBDHN COc1cccc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000565314810 547303686 /nfs/dbraw/zinc/30/36/86/547303686.db2.gz WAXUGSOENHQXDN-UHFFFAOYSA-N 0 3 364.446 1.812 20 5 FDBDHN NCc1cn([C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000569119978 548805240 /nfs/dbraw/zinc/80/52/40/548805240.db2.gz WHHLXBALYQXBEH-INIZCTEOSA-N 0 3 358.402 1.441 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000570695670 549379503 /nfs/dbraw/zinc/37/95/03/549379503.db2.gz ANDBCYSJZWIZBA-GOSISDBHSA-N 0 3 371.397 1.171 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572986381 550038576 /nfs/dbraw/zinc/03/85/76/550038576.db2.gz GTPZENADKLTEBM-YPMHNXCESA-N 0 3 364.427 1.091 20 5 FDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000574926896 550394383 /nfs/dbraw/zinc/39/43/83/550394383.db2.gz QMUVCZXFAXFCCV-DZGCQCFKSA-N 0 3 364.446 1.346 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Cn3ccnc3)c2)c1 ZINC000575174341 550439220 /nfs/dbraw/zinc/43/92/20/550439220.db2.gz BEILGWIZTPVXDY-QGZVFWFLSA-N 0 3 356.386 1.187 20 5 FDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000577371560 550649110 /nfs/dbraw/zinc/64/91/10/550649110.db2.gz CTEULNCKPGHUFT-GOSISDBHSA-N 0 3 356.382 1.330 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000578748375 550797148 /nfs/dbraw/zinc/79/71/48/550797148.db2.gz YGAWIXGHZVWAGF-SNVBAGLBSA-N 0 3 369.321 1.018 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580985486 551039866 /nfs/dbraw/zinc/03/98/66/551039866.db2.gz GFHWSTBGBXVSRV-KRWDZBQOSA-N 0 3 363.418 1.230 20 5 FDBDHN Cc1ccc(C)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1[N+](=O)[O-] ZINC000581166718 551059090 /nfs/dbraw/zinc/05/90/90/551059090.db2.gz OZBHNTTVBUXDPZ-UHFFFAOYSA-N 0 3 372.491 1.326 20 5 FDBDHN CNC(=O)c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584464399 551500748 /nfs/dbraw/zinc/50/07/48/551500748.db2.gz GSYQIVMPMZROHB-HNNXBMFYSA-N 0 3 359.382 1.484 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588071888 551644767 /nfs/dbraw/zinc/64/47/67/551644767.db2.gz MUBNTHDDSSLIFM-CHWSQXEVSA-N 0 3 359.430 1.848 20 5 FDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590445062 551785079 /nfs/dbraw/zinc/78/50/79/551785079.db2.gz MTCDYLIPXFDJFF-BXKDBHETSA-N 0 3 371.340 1.981 20 5 FDBDHN NCc1cn([C@@H]2CCCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nn1 ZINC000591284806 551856257 /nfs/dbraw/zinc/85/62/57/551856257.db2.gz ZXHJJWACGIFOAD-CQSZACIVSA-N 0 3 374.401 1.253 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000591528983 551876466 /nfs/dbraw/zinc/87/64/66/551876466.db2.gz GXODHUNHOSEKNG-INIZCTEOSA-N 0 3 374.441 1.766 20 5 FDBDHN COc1cccc2c1OC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000591733868 551904881 /nfs/dbraw/zinc/90/48/81/551904881.db2.gz XRDBGWXEKNTPMP-GDBMZVCRSA-N 0 3 374.393 1.936 20 5 FDBDHN CN(C)[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000591740103 551905209 /nfs/dbraw/zinc/90/52/09/551905209.db2.gz UXZSLZDGWRFGMH-SWLSCSKDSA-N 0 3 369.372 1.323 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592199241 551957729 /nfs/dbraw/zinc/95/77/29/551957729.db2.gz SWPJPAYPMZYLMX-CHWSQXEVSA-N 0 3 365.386 1.088 20 5 FDBDHN C[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000592870908 552037258 /nfs/dbraw/zinc/03/72/58/552037258.db2.gz HDISHAHATQWOAK-RYUDHWBXSA-N 0 3 366.393 1.416 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000592875444 552037838 /nfs/dbraw/zinc/03/78/38/552037838.db2.gz YSFTVKFAOQWFKE-NSHDSACASA-N 0 3 359.386 1.268 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)n1 ZINC000593070375 552058194 /nfs/dbraw/zinc/05/81/94/552058194.db2.gz VFAWVZAPSLKKKS-ZWKOTPCHSA-N 0 3 371.441 1.767 20 5 FDBDHN C[C@@H]1CC[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000594494158 552325946 /nfs/dbraw/zinc/32/59/46/552325946.db2.gz VOBOBPQMOINATF-VXGBXAGGSA-N 0 3 359.473 1.747 20 5 FDBDHN CC(C)Oc1nc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000594574058 552335758 /nfs/dbraw/zinc/33/57/58/552335758.db2.gz YELVJWCOUAMPNX-CQSZACIVSA-N 0 3 351.451 2.215 20 5 FDBDHN CC(C)Oc1nc(N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000594585523 552337903 /nfs/dbraw/zinc/33/79/03/552337903.db2.gz AGEXKEJFNNEERB-LBPRGKRZSA-N 0 3 351.407 1.333 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594621961 552343058 /nfs/dbraw/zinc/34/30/58/552343058.db2.gz KVHJGIZMIMHNIK-DOTOQJQBSA-N 0 3 374.441 1.653 20 5 FDBDHN C[C@@H](CSCCF)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595008079 552436656 /nfs/dbraw/zinc/43/66/56/552436656.db2.gz PMWRHEDKENVYOG-NSHDSACASA-N 0 3 365.452 1.554 20 5 FDBDHN CC(C)(C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000595259180 552506667 /nfs/dbraw/zinc/50/66/67/552506667.db2.gz YOBMXKBSYPTNMQ-HNNXBMFYSA-N 0 3 359.386 1.826 20 5 FDBDHN Cc1ccc([C@@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595268278 552508699 /nfs/dbraw/zinc/50/86/99/552508699.db2.gz HGZBJZDJIDKTGG-SNVBAGLBSA-N 0 3 360.374 1.418 20 5 FDBDHN COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684200 552602816 /nfs/dbraw/zinc/60/28/16/552602816.db2.gz LFQZUYRBIVKEIF-GOEBONIOSA-N 0 3 350.375 1.138 20 5 FDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000595739385 552608958 /nfs/dbraw/zinc/60/89/58/552608958.db2.gz TXSHQKCDGJDTDV-JONQDZQNSA-N 0 3 366.418 1.206 20 5 FDBDHN CCCN1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000595805138 552617921 /nfs/dbraw/zinc/61/79/21/552617921.db2.gz GASTYJZRYFXMLZ-ZDUSSCGKSA-N 0 3 350.423 1.622 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595986144 552641207 /nfs/dbraw/zinc/64/12/07/552641207.db2.gz PETNBJODSCGEFM-LBPRGKRZSA-N 0 3 373.417 1.075 20 5 FDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000596178120 552662324 /nfs/dbraw/zinc/66/23/24/552662324.db2.gz HYMHFCMKDGANAI-CJNGLKHVSA-N 0 3 361.446 1.156 20 5 FDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)CCN(C)C1CC1 ZINC000596196285 552663692 /nfs/dbraw/zinc/66/36/92/552663692.db2.gz RBUUFFKHRAPIPT-UHFFFAOYSA-N 0 3 370.475 1.814 20 5 FDBDHN NS(=O)(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000596296093 552671623 /nfs/dbraw/zinc/67/16/23/552671623.db2.gz GTFGJGULBSZASW-STQMWFEESA-N 0 3 354.432 1.671 20 5 FDBDHN Nc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc(CO)c1[N+](=O)[O-] ZINC000596423228 552677636 /nfs/dbraw/zinc/67/76/36/552677636.db2.gz KIKORJMQEQZXEZ-QGZVFWFLSA-N 0 3 372.425 1.848 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597694062 552823111 /nfs/dbraw/zinc/82/31/11/552823111.db2.gz IROBTIPCDTYFFI-HOTGVXAUSA-N 0 3 369.368 1.737 20 5 FDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000597694604 552823307 /nfs/dbraw/zinc/82/33/07/552823307.db2.gz LXUUZJUANASYDW-UHFFFAOYSA-N 0 3 366.849 1.876 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597858762 552841627 /nfs/dbraw/zinc/84/16/27/552841627.db2.gz OYVIDTGSTARJMZ-CHWSQXEVSA-N 0 3 366.466 1.816 20 5 FDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597859785 552841785 /nfs/dbraw/zinc/84/17/85/552841785.db2.gz XXHGFFMLUUJZMS-LLVKDONJSA-N 0 3 374.397 1.180 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598186100 552873593 /nfs/dbraw/zinc/87/35/93/552873593.db2.gz LHLKQCJUDDTJDN-UHFFFAOYSA-N 0 3 350.419 1.006 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598185234 552873737 /nfs/dbraw/zinc/87/37/37/552873737.db2.gz IACRMTYLCCISEQ-UHFFFAOYSA-N 0 3 361.402 1.168 20 5 FDBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000598591650 552912626 /nfs/dbraw/zinc/91/26/26/552912626.db2.gz XOURCCSDOSUEFC-ZIAGYGMSSA-N 0 3 364.450 1.896 20 5 FDBDHN CN(C)C1(CN(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000598909440 552943565 /nfs/dbraw/zinc/94/35/65/552943565.db2.gz ZFHLSOOPSNZSLJ-UHFFFAOYSA-N 0 3 363.418 1.659 20 5 FDBDHN COc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000599598955 553099391 /nfs/dbraw/zinc/09/93/91/553099391.db2.gz CFSQFUGXPHQCMN-WCQYABFASA-N 0 3 350.375 1.520 20 5 FDBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694502 553123929 /nfs/dbraw/zinc/12/39/29/553123929.db2.gz IBGZLQAWOCBOGI-XGUBFFRZSA-N 0 3 366.414 1.997 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599936655 553177737 /nfs/dbraw/zinc/17/77/37/553177737.db2.gz AMJNCMWXJPZOHS-HOTGVXAUSA-N 0 3 358.398 1.217 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)[C@@H]2C1 ZINC000599967501 553188702 /nfs/dbraw/zinc/18/87/02/553188702.db2.gz ZAMMZBYXBUXICP-BDJLRTHQSA-N 0 3 359.361 1.696 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600746011 553310311 /nfs/dbraw/zinc/31/03/11/553310311.db2.gz JWPPHZQXMXINRH-OCCSQVGLSA-N 0 3 374.319 1.924 20 5 FDBDHN C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000601391752 553392322 /nfs/dbraw/zinc/39/23/22/553392322.db2.gz AWXRZLFKHZEWIU-DZGCQCFKSA-N 0 3 364.421 1.832 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601649461 553453050 /nfs/dbraw/zinc/45/30/50/553453050.db2.gz OXKRBLDVPDWPDT-AWEZNQCLSA-N 0 3 374.441 1.595 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603402550 553780385 /nfs/dbraw/zinc/78/03/85/553780385.db2.gz KVQAHHNHHLBDNP-UHFFFAOYSA-N 0 3 370.475 1.209 20 5 FDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603428471 553786090 /nfs/dbraw/zinc/78/60/90/553786090.db2.gz NWVXWWZIEZCQNT-APWZRJJASA-N 0 3 374.485 1.968 20 5 FDBDHN Cc1ccc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000603428504 553786253 /nfs/dbraw/zinc/78/62/53/553786253.db2.gz OFYQTVXPJHFCKF-GOSISDBHSA-N 0 3 362.474 1.789 20 5 FDBDHN CCCC(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000603682479 553809960 /nfs/dbraw/zinc/80/99/60/553809960.db2.gz UGFYTPFCSBFCSR-INIZCTEOSA-N 0 3 365.430 1.715 20 5 FDBDHN COCC(=O)NC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000603882158 553823533 /nfs/dbraw/zinc/82/35/33/553823533.db2.gz ARWUXBATHVMISC-UHFFFAOYSA-N 0 3 364.402 1.150 20 5 FDBDHN COCCNC(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604012526 553835396 /nfs/dbraw/zinc/83/53/96/553835396.db2.gz LUBQPINMLDVNKK-UHFFFAOYSA-N 0 3 365.430 1.838 20 5 FDBDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604306626 553861653 /nfs/dbraw/zinc/86/16/53/553861653.db2.gz ZZJQWQKGTVSDEK-ZFWWWQNUSA-N 0 3 352.387 1.752 20 5 FDBDHN CCN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609522555 554386763 /nfs/dbraw/zinc/38/67/63/554386763.db2.gz ZYCQWULHFNTEBX-CYBMUJFWSA-N 0 3 364.402 1.347 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000609533162 554388516 /nfs/dbraw/zinc/38/85/16/554388516.db2.gz ZUQBRYLSFPMOPN-UHFFFAOYSA-N 0 3 350.419 1.698 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833284 554426340 /nfs/dbraw/zinc/42/63/40/554426340.db2.gz GCGZJFYSSOEFJW-HIFRSBDPSA-N 0 3 362.430 1.704 20 5 FDBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000609876808 554432311 /nfs/dbraw/zinc/43/23/11/554432311.db2.gz GKFMTTFMDJTQHH-ZDUSSCGKSA-N 0 3 351.403 1.973 20 5 FDBDHN COc1ccc(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000610913331 554580000 /nfs/dbraw/zinc/58/00/00/554580000.db2.gz SOGJAPTWNPSXPB-OAHLLOKOSA-N 0 3 363.414 1.515 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN(C[C@H]3CCOC3)CC1)OCCO2 ZINC000611275211 554621609 /nfs/dbraw/zinc/62/16/09/554621609.db2.gz CHCQTNHSVPAJQM-CQSZACIVSA-N 0 3 363.414 1.520 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611462221 554635893 /nfs/dbraw/zinc/63/58/93/554635893.db2.gz DYBUWFDJTCARCF-OAHLLOKOSA-N 0 3 374.441 1.646 20 5 FDBDHN CN1CCC[C@H](N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000611706922 554669057 /nfs/dbraw/zinc/66/90/57/554669057.db2.gz MOPLLVRCRQCQCK-HNNXBMFYSA-N 0 3 356.430 1.754 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708474 554669640 /nfs/dbraw/zinc/66/96/40/554669640.db2.gz DIDOZFNMFFRWOS-MRXNPFEDSA-N 0 3 372.429 1.893 20 5 FDBDHN COc1ccc(OCCN2CCN(CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614923310 555138071 /nfs/dbraw/zinc/13/80/71/555138071.db2.gz DGBMJEXPHBJNFT-UHFFFAOYSA-N 0 3 353.419 1.371 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619578187 555802317 /nfs/dbraw/zinc/80/23/17/555802317.db2.gz CDJBQCJVPYJYLT-ZFWWWQNUSA-N 0 3 362.430 1.656 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738357150 599441579 /nfs/dbraw/zinc/44/15/79/599441579.db2.gz CZPPCAOZMQWKFW-GFCCVEGCSA-N 0 3 373.417 1.688 20 5 FDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738357150 599441582 /nfs/dbraw/zinc/44/15/82/599441582.db2.gz CZPPCAOZMQWKFW-GFCCVEGCSA-N 0 3 373.417 1.688 20 5 FDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000272920251 674488252 /nfs/dbraw/zinc/48/82/52/674488252.db2.gz QDFXHEXVWFONKH-CYBMUJFWSA-N 0 3 354.432 1.307 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000273508093 674544215 /nfs/dbraw/zinc/54/42/15/674544215.db2.gz NDDKQJVUXXPBIB-UONOGXRCSA-N 0 3 350.444 1.829 20 5 FDBDHN C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000826021653 607903973 /nfs/dbraw/zinc/90/39/73/607903973.db2.gz BPVMLGDPUSIUON-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000826021653 607903974 /nfs/dbraw/zinc/90/39/74/607903974.db2.gz BPVMLGDPUSIUON-GFCCVEGCSA-N 0 3 358.406 1.338 20 5 FDBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277030693 674838266 /nfs/dbraw/zinc/83/82/66/674838266.db2.gz SCJOWDWZESWHBJ-GWCFXTLKSA-N 0 3 351.359 1.809 20 5 FDBDHN COC(=O)c1cc(NC(=O)NC[C@H]2CCCN2C)c(C)c([N+](=O)[O-])c1 ZINC000277210931 674886466 /nfs/dbraw/zinc/88/64/66/674886466.db2.gz MJXBWRAJMYXJQC-GFCCVEGCSA-N 0 3 350.375 1.906 20 5 FDBDHN COc1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192567183 672356007 /nfs/dbraw/zinc/35/60/07/672356007.db2.gz QVAZUMKOWAARAI-ZDUSSCGKSA-N 0 3 350.419 1.217 20 5 FDBDHN COCCN1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000288524095 676017368 /nfs/dbraw/zinc/01/73/68/676017368.db2.gz RJTLCJQHJUVHSX-UHFFFAOYSA-N 0 3 352.391 1.608 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)CN1CCCCC1 ZINC000288601107 676027740 /nfs/dbraw/zinc/02/77/40/676027740.db2.gz TXXUKFJKWULJMC-CYBMUJFWSA-N 0 3 355.822 1.754 20 5 FDBDHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261618901 672637314 /nfs/dbraw/zinc/63/73/14/672637314.db2.gz BXUKQHGWOAZFJI-ZDUSSCGKSA-N 0 3 363.823 1.295 20 5 FDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262704153 672832444 /nfs/dbraw/zinc/83/24/44/672832444.db2.gz BGJRFCXSJUVVQA-VHSXEESVSA-N 0 3 354.794 1.187 20 5 FDBDHN CCc1nn(C)c(NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000288978420 676079395 /nfs/dbraw/zinc/07/93/95/676079395.db2.gz VBZNCAHECOMPEV-ZDUSSCGKSA-N 0 3 352.439 1.245 20 5 FDBDHN CCN1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000265477941 672933450 /nfs/dbraw/zinc/93/34/50/672933450.db2.gz JXSICLSFCDLIDI-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000265591939 672947964 /nfs/dbraw/zinc/94/79/64/672947964.db2.gz YEYHBTWHXHZXDZ-CYBMUJFWSA-N 0 3 355.826 1.998 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267264870 673279218 /nfs/dbraw/zinc/27/92/18/673279218.db2.gz DGROJPSVMRMYAV-MRXNPFEDSA-N 0 3 366.443 1.395 20 5 FDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]2C1 ZINC000285699546 675841590 /nfs/dbraw/zinc/84/15/90/675841590.db2.gz RONNPEVGYUOYKF-DTORHVGOSA-N 0 3 363.798 1.569 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC1)OCCCO2 ZINC000292933382 676329342 /nfs/dbraw/zinc/32/93/42/676329342.db2.gz HDFWCUYWHHWMLJ-AWEZNQCLSA-N 0 3 352.387 1.564 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000298476772 676467217 /nfs/dbraw/zinc/46/72/17/676467217.db2.gz FJQUWNQDBWBRSK-OLZOCXBDSA-N 0 3 355.416 1.509 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c2ncccc12 ZINC000370731625 677609858 /nfs/dbraw/zinc/60/98/58/677609858.db2.gz YPADKKKNGYAZNZ-UWVGGRQHSA-N 0 3 354.363 1.121 20 5 FDBDHN Cc1ncc(CN2CC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000378318505 678739556 /nfs/dbraw/zinc/73/95/56/678739556.db2.gz MKDJHJOKSKROMH-JOYOIKCWSA-N 0 3 364.431 1.723 20 5 FDBDHN CCOc1cc(CN2CCN(C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000411904270 679091454 /nfs/dbraw/zinc/09/14/54/679091454.db2.gz AOYISJBIPIGKJR-AWEZNQCLSA-N 0 3 351.403 1.530 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](CO)CN1CCCCC1 ZINC000413799767 679298561 /nfs/dbraw/zinc/29/85/61/679298561.db2.gz ORJLAEXGHPWEBM-NSHDSACASA-N 0 3 357.357 1.379 20 5 FDBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000413902573 679311078 /nfs/dbraw/zinc/31/10/78/679311078.db2.gz PAIPIOCCHYCSEP-UHFFFAOYSA-N 0 3 351.338 1.958 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420639038 680496999 /nfs/dbraw/zinc/49/69/99/680496999.db2.gz QYMRXVMUVPLVLS-GFCCVEGCSA-N 0 3 356.448 1.376 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421296473 680646212 /nfs/dbraw/zinc/64/62/12/680646212.db2.gz JUBXQDKAMQSIMO-GFCCVEGCSA-N 0 3 350.375 1.095 20 5 FDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N1CCSCC1 ZINC000449130355 682667387 /nfs/dbraw/zinc/66/73/87/682667387.db2.gz YMQHNJKFVRARLB-CYBMUJFWSA-N 0 3 373.500 1.494 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000472115409 685177527 /nfs/dbraw/zinc/17/75/27/685177527.db2.gz NRLRXWVKKGOMSZ-AWEZNQCLSA-N 0 3 366.487 1.829 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000520245918 690300979 /nfs/dbraw/zinc/30/09/79/690300979.db2.gz YAJODBKTXCXFIB-INIZCTEOSA-N 0 3 353.444 1.928 20 5 FDBDHN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164762117 721075764 /nfs/dbraw/zinc/07/57/64/721075764.db2.gz CNPSJBPYHMXEIM-HOTGVXAUSA-N 0 3 356.430 1.990 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632436 771283319 /nfs/dbraw/zinc/28/33/19/771283319.db2.gz QZKUITFYEMTZGR-DOTOQJQBSA-N 0 3 372.425 1.546 20 5 FDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000360019998 771313077 /nfs/dbraw/zinc/31/30/77/771313077.db2.gz SYZYMJRKRUSZGE-UHFFFAOYSA-N 0 3 365.430 1.133 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177123036 772628991 /nfs/dbraw/zinc/62/89/91/772628991.db2.gz JKNMINWGKUSVRA-QWRGUYRKSA-N 0 3 356.382 1.791 20 5 FDBDHN COc1c(O)ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000891923181 780210418 /nfs/dbraw/zinc/21/04/18/780210418.db2.gz COXVWUSKCUNQGJ-UONOGXRCSA-N 0 3 351.403 1.340 20 5 FDBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1CCN(CCO)CC1 ZINC000450170853 781296010 /nfs/dbraw/zinc/29/60/10/781296010.db2.gz XYHFKDBUORMVPN-UHFFFAOYSA-N 0 3 363.414 1.378 20 5 FDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000365205526 785330782 /nfs/dbraw/zinc/33/07/82/785330782.db2.gz CJPOEVSWRFRIMZ-AWEZNQCLSA-N 0 3 361.446 1.277 20 5 FDBDHN C[NH+]1CCC(N2CCC(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000377128078 791126782 /nfs/dbraw/zinc/12/67/82/791126782.db2.gz OFUYRCZQOKHGET-UHFFFAOYSA-N 0 3 362.430 1.589 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000472561913 787364440 /nfs/dbraw/zinc/36/44/40/787364440.db2.gz LHEGLVJNIRQPDZ-NEPJUHHUSA-N 0 3 366.393 1.909 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000376501261 788078598 /nfs/dbraw/zinc/07/85/98/788078598.db2.gz OURQBAOITOPVPJ-XNJGSVPQSA-N 0 3 374.397 1.067 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000376501259 788078627 /nfs/dbraw/zinc/07/86/27/788078627.db2.gz OURQBAOITOPVPJ-OGHNNQOOSA-N 0 3 374.397 1.067 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOC2(CCOCC2)CC1 ZINC000377275950 791444259 /nfs/dbraw/zinc/44/42/59/791444259.db2.gz BWNNZCBPPHLBJJ-HNNXBMFYSA-N 0 3 366.414 1.606 20 5 FDBDHN CS[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000892999697 792389862 /nfs/dbraw/zinc/38/98/62/792389862.db2.gz DFSSZSPOZHOOAK-ZIAGYGMSSA-N 0 3 362.455 1.929 20 5 FDBDHN C[C@](O)(C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778608 803612023 /nfs/dbraw/zinc/61/20/23/803612023.db2.gz IRDYEODODRFAMA-LXZKKBNFSA-N 0 3 350.419 1.388 20 5 FDBDHN CN(C)C(=O)CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432337795 807303849 /nfs/dbraw/zinc/30/38/49/807303849.db2.gz SJEKNJVNZRNSFC-UHFFFAOYSA-N 0 3 357.414 1.743 20 5 FDBDHN COc1c(O)ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000893877821 809785091 /nfs/dbraw/zinc/78/50/91/809785091.db2.gz KRMHSJZYKHFUPX-GFCCVEGCSA-N 0 3 353.419 1.586 20 5 FDBDHN CC(C)(C)OC(=O)[C@H](CC(N)=O)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167923224 810660648 /nfs/dbraw/zinc/66/06/48/810660648.db2.gz ZPAKFMIIMXVCKM-LBPRGKRZSA-N 0 3 350.375 1.196 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366592166 813639623 /nfs/dbraw/zinc/63/96/23/813639623.db2.gz UXMDNISHCGMHNX-CYBMUJFWSA-N 0 3 367.377 1.482 20 5 FDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000422105557 814392875 /nfs/dbraw/zinc/39/28/75/814392875.db2.gz PZKMBYMUGJUMAM-KRWDZBQOSA-N 0 3 374.441 1.638 20 5 FDBDHN CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000435547900 816086965 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ZINC000907653707 854469260 /nfs/dbraw/zinc/46/92/60/854469260.db2.gz OKUAETFRNKVRCH-UHFFFAOYSA-N 0 3 359.386 1.256 20 5 FDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)CN1CCCC1 ZINC000908207618 855196292 /nfs/dbraw/zinc/19/62/92/855196292.db2.gz ZQTJBBXKAKHVAQ-ZDUSSCGKSA-N 0 3 355.822 1.754 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000429793050 867145561 /nfs/dbraw/zinc/14/55/61/867145561.db2.gz DWMYIGRLHNMOOY-UHFFFAOYSA-N 0 3 366.418 1.588 20 5 FDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)NCCN1CCCCC1 ZINC000915648681 877147732 /nfs/dbraw/zinc/14/77/32/877147732.db2.gz IXSKBUSHBFMYNQ-RMKNXTFCSA-N 0 3 360.414 1.326 20 5 FDBDHN CO[C@]1(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922619925 878833716 /nfs/dbraw/zinc/83/37/16/878833716.db2.gz WDEOENQLVJPBER-RQPMMQJISA-N 0 3 354.428 1.791 20 5 FDBDHN C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1=CCN(C)CC1 ZINC000272741877 881191572 /nfs/dbraw/zinc/19/15/72/881191572.db2.gz NASCNAJFNBBIKH-GFCCVEGCSA-N 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ZINC000813110370 941335132 /nfs/dbraw/zinc/33/51/32/941335132.db2.gz YYYIYGJSGJGTJW-CJNGLKHVSA-N 0 3 357.366 1.631 20 5 FDBDHN CC(COC(=O)CN1C(=O)COc2cc(Br)ccc21)[N+](=O)[O-] ZINC000813111998 941335254 /nfs/dbraw/zinc/33/52/54/941335254.db2.gz MHNBGHTUMYDTBZ-MRVPVSSYSA-N 0 3 373.159 1.383 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112195 941335729 /nfs/dbraw/zinc/33/57/29/941335729.db2.gz NMAHJGPKIXSNEG-JSGCOSHPSA-N 0 3 356.400 1.438 20 5 FDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000813113902 941336185 /nfs/dbraw/zinc/33/61/85/941336185.db2.gz KLVCGKMMSXXJOB-QMMMGPOBSA-N 0 3 356.285 1.999 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816751088 942333050 /nfs/dbraw/zinc/33/30/50/942333050.db2.gz ZCXURRTXMFUZSB-LSDHHAIUSA-N 0 3 364.358 1.438 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000816949534 942397739 /nfs/dbraw/zinc/39/77/39/942397739.db2.gz YUCLRILXKYVVIN-KWQFWETISA-N 0 3 355.192 1.528 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCNS(=O)(=O)c2cccs2)c1 ZINC000819182527 943465980 /nfs/dbraw/zinc/46/59/80/943465980.db2.gz FWERHFMFAIEFKV-CYBMUJFWSA-N 0 3 371.440 1.258 20 5 FDBDHN CC(=O)N1C[C@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000821332204 944423031 /nfs/dbraw/zinc/42/30/31/944423031.db2.gz KXNWJGGMHLBMKR-JKIFEVAISA-N 0 3 358.398 1.110 20 5 FDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961644 946097351 /nfs/dbraw/zinc/09/73/51/946097351.db2.gz HNFQWORABWIFQA-LBPRGKRZSA-N 0 3 350.423 1.325 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000824667271 946659920 /nfs/dbraw/zinc/65/99/20/946659920.db2.gz FHRHKOGIDSSFNQ-IINYFYTJSA-N 0 3 366.805 1.739 20 5 FDBDHN CC([C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874031 950045090 /nfs/dbraw/zinc/04/50/90/950045090.db2.gz GQDURRDWBJVHCI-ZETOZRRWSA-N 0 3 359.375 1.900 20 5 FDBDHN CC([C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876068 950046857 /nfs/dbraw/zinc/04/68/57/950046857.db2.gz PJONSNCPPPOJJI-XPTSAGLGSA-N 0 3 352.278 1.880 20 5 FDBDHN C[NH+]1CCC(O[N-]C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000846649559 951414048 /nfs/dbraw/zinc/41/40/48/951414048.db2.gz FDQXVBQVUGWKFF-UHFFFAOYSA-N 0 3 352.347 1.578 20 5 FDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1OC ZINC001197104631 972099058 /nfs/dbraw/zinc/09/90/58/972099058.db2.gz JDUPAUBIDSZFDR-HIFRSBDPSA-N 0 3 364.402 1.910 20 5 FDBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000774410258 962128279 /nfs/dbraw/zinc/12/82/79/962128279.db2.gz OQTSBPOMJPEEIB-ZBEGNZNMSA-N 0 3 365.411 1.626 20 5 FDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000852636751 967487439 /nfs/dbraw/zinc/48/74/39/967487439.db2.gz MFSBAYJJOFLTNK-INIZCTEOSA-N 0 3 374.441 1.916 20 5 FDBDHN O=C(CCN1CCC(N2CCOC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852721668 967551834 /nfs/dbraw/zinc/55/18/34/967551834.db2.gz HDQCMUULJXOAGW-UHFFFAOYSA-N 0 3 362.386 1.840 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110867259 967614143 /nfs/dbraw/zinc/61/41/43/967614143.db2.gz ZAYRQSZTUWGEOP-UHFFFAOYSA-N 0 3 365.390 1.213 20 5 FDBDHN C[NH+](C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001195097753 970684631 /nfs/dbraw/zinc/68/46/31/970684631.db2.gz LLCDBMULGJMGNN-KBPBESRZSA-N 0 3 357.407 1.885 20 5 FDBDHN C[C@@H]1CC[C@H](CO)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880438705 979198334 /nfs/dbraw/zinc/19/83/34/979198334.db2.gz UEHNNZYEIBLJBK-RHSMWYFYSA-N 0 3 362.430 1.089 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882769572 981665364 /nfs/dbraw/zinc/66/53/64/981665364.db2.gz CKJOEOZKSNMSIE-UHFFFAOYSA-N 0 3 369.443 1.852 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957168 985002232 /nfs/dbraw/zinc/00/22/32/985002232.db2.gz 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ZINC000934737642 1005788499 /nfs/dbraw/zinc/78/84/99/1005788499.db2.gz JSXSRRLLPWNSOQ-ZDUSSCGKSA-N 0 3 359.386 1.456 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000935411119 1005907448 /nfs/dbraw/zinc/90/74/48/1005907448.db2.gz VWHJQZDSFUYJJL-CJNGLKHVSA-N 0 3 357.414 1.736 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000936005248 1006228548 /nfs/dbraw/zinc/22/85/48/1006228548.db2.gz JSVRUYWLIFXESO-CZUORRHYSA-N 0 3 357.414 1.879 20 5 FDBDHN CN(C)CCn1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000191445428 178055653 /nfs/dbraw/zinc/05/56/53/178055653.db2.gz YTBXDIXIGWKUSR-UHFFFAOYSA-N 0 3 374.401 1.648 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000518824271 539450978 /nfs/dbraw/zinc/45/09/78/539450978.db2.gz QDOXCXJYOWZGKQ-UHFFFAOYSA-N 0 3 364.494 1.974 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000522443272 539564471 /nfs/dbraw/zinc/56/44/71/539564471.db2.gz 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CN(C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCCCC1 ZINC000269637667 180346586 /nfs/dbraw/zinc/34/65/86/180346586.db2.gz QOFSVIDCPCJURJ-UHFFFAOYSA-N 0 3 350.419 1.527 20 5 FDBDHN CCOCCO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000269690580 180362708 /nfs/dbraw/zinc/36/27/08/180362708.db2.gz NKWOLBBUGKWDCB-WBVHZDCISA-N 0 3 354.403 1.462 20 5 FDBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000273995281 181008399 /nfs/dbraw/zinc/00/83/99/181008399.db2.gz KCPVKCLAKVPPDP-GHMZBOCLSA-N 0 3 353.375 1.719 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530820063 540049685 /nfs/dbraw/zinc/04/96/85/540049685.db2.gz UGIREEFZLHSIRV-YPMHNXCESA-N 0 3 352.439 1.285 20 5 FDBDHN COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532397600 540159250 /nfs/dbraw/zinc/15/92/50/540159250.db2.gz AXUJOPDJLVWHJY-UHFFFAOYSA-N 0 3 372.337 1.535 20 5 FDBDHN CC1CCN(C[C@H](O)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247519 540338825 /nfs/dbraw/zinc/33/88/25/540338825.db2.gz WELLCELFQGRJIE-CYBMUJFWSA-N 0 3 360.414 1.899 20 5 FDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCN3CCCC3)cc2)n1 ZINC000536815772 540652585 /nfs/dbraw/zinc/65/25/85/540652585.db2.gz PLIMJHNUSDTETN-UHFFFAOYSA-N 0 3 373.413 1.733 20 5 FDBDHN COc1ccc(NC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542035633 541323314 /nfs/dbraw/zinc/32/33/14/541323314.db2.gz LMNCQAUIJRNQBA-AWEZNQCLSA-N 0 3 366.418 1.818 20 5 FDBDHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542076266 541331615 /nfs/dbraw/zinc/33/16/15/541331615.db2.gz PKGNFKNRLSQHGF-JQWIXIFHSA-N 0 3 350.375 1.141 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000542136552 541345070 /nfs/dbraw/zinc/34/50/70/541345070.db2.gz MHOULEJLFBRSRS-NCZKRNLISA-N 0 3 360.414 1.911 20 5 FDBDHN CN1CCN(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282636715 182036102 /nfs/dbraw/zinc/03/61/02/182036102.db2.gz ICAHKMJEGASCLX-UHFFFAOYSA-N 0 3 363.462 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ZINC000296587605 184181496 /nfs/dbraw/zinc/18/14/96/184181496.db2.gz QEMFHBQEGAWABU-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN Cc1cccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000549746178 542930404 /nfs/dbraw/zinc/93/04/04/542930404.db2.gz TWOMLIXTPCVDMJ-CQSZACIVSA-N 0 3 362.430 1.624 20 5 FDBDHN CCN(CC)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000549792832 542940949 /nfs/dbraw/zinc/94/09/49/542940949.db2.gz KNHKDSSMIWLQCV-UHFFFAOYSA-N 0 3 360.418 1.798 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000550322805 543068255 /nfs/dbraw/zinc/06/82/55/543068255.db2.gz UOOXTRBCKYYPDA-CQSZACIVSA-N 0 3 374.235 1.708 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000173283848 258295365 /nfs/dbraw/zinc/29/53/65/258295365.db2.gz YHKCEGZDAWIMFJ-QGZVFWFLSA-N 0 3 363.393 1.868 20 5 FDBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000551715704 543327623 /nfs/dbraw/zinc/32/76/23/543327623.db2.gz GXLFAOFDGQKESB-YOEHRIQHSA-N 0 3 373.409 1.767 20 5 FDBDHN Cc1csc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000173365287 258297307 /nfs/dbraw/zinc/29/73/07/258297307.db2.gz FIKWFISCOCNCGU-OCCSQVGLSA-N 0 3 351.432 1.797 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000072629385 172045793 /nfs/dbraw/zinc/04/57/93/172045793.db2.gz GEIKIQQUFXUCEL-OAHLLOKOSA-N 0 3 370.413 1.908 20 5 FDBDHN CC[C@H]1CN(C)c2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088562286 172234436 /nfs/dbraw/zinc/23/44/36/172234436.db2.gz BEFPRWLDCMKWCO-RDJZCZTQSA-N 0 3 359.430 1.883 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000090552039 172267156 /nfs/dbraw/zinc/26/71/56/172267156.db2.gz LJDJYUYCUGRREG-MRXNPFEDSA-N 0 3 351.403 1.417 20 5 FDBDHN COc1cc(CN2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093664577 172319582 /nfs/dbraw/zinc/31/95/82/172319582.db2.gz TXGULGGUHZEURK-AWEZNQCLSA-N 0 3 365.430 1.766 20 5 FDBDHN CS(=O)(=O)NCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131322675 173198115 /nfs/dbraw/zinc/19/81/15/173198115.db2.gz SVDIIJHLSARLSX-UHFFFAOYSA-N 0 3 353.347 1.225 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134228353 173321300 /nfs/dbraw/zinc/32/13/00/173321300.db2.gz UUWHZLHLZCSPKE-AWEZNQCLSA-N 0 3 366.393 1.406 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000151283639 173396261 /nfs/dbraw/zinc/39/62/61/173396261.db2.gz JDMPELQQCDSBFG-INIZCTEOSA-N 0 3 372.429 1.755 20 5 FDBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)c2c(c1)COCO2 ZINC000178484464 174190918 /nfs/dbraw/zinc/19/09/18/174190918.db2.gz QFSARVURRICXNS-CQSZACIVSA-N 0 3 363.414 1.615 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000173733584 258308836 /nfs/dbraw/zinc/30/88/36/258308836.db2.gz VGFKDHRQTKWBNH-HNNXBMFYSA-N 0 3 371.401 1.075 20 5 FDBDHN Cc1cc([N+](=O)[O-])cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)c1=O ZINC000178340033 258328987 /nfs/dbraw/zinc/32/89/87/258328987.db2.gz JIYXAMRFEJTYPY-MRXNPFEDSA-N 0 3 358.398 1.484 20 5 FDBDHN COc1cc(CCNC(=O)[C@@]2(C)CCCCN2)c([N+](=O)[O-])cc1OC ZINC000180908031 258377852 /nfs/dbraw/zinc/37/78/52/258377852.db2.gz AWUXXDUDTDQMES-QGZVFWFLSA-N 0 3 351.403 1.803 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000184348839 258381374 /nfs/dbraw/zinc/38/13/74/258381374.db2.gz QTMCETIVEYLIBZ-CQSZACIVSA-N 0 3 371.441 1.899 20 5 FDBDHN CC(=O)NCC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000553960506 543724600 /nfs/dbraw/zinc/72/46/00/543724600.db2.gz BHGSXSMOPZLECF-CVEARBPZSA-N 0 3 365.430 1.573 20 5 FDBDHN CC[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000558257548 544404964 /nfs/dbraw/zinc/40/49/64/544404964.db2.gz MGPPSANZBWXKPQ-ZBFHGGJFSA-N 0 3 370.475 1.906 20 5 FDBDHN COc1ccc(NC(=O)CN[C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293108335 258859390 /nfs/dbraw/zinc/85/93/90/258859390.db2.gz QTKNZYMXOULSDL-INIZCTEOSA-N 0 3 351.403 1.929 20 5 FDBDHN CN1CC[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C2)C1 ZINC000294029601 258909647 /nfs/dbraw/zinc/90/96/47/258909647.db2.gz ZSZRWGXKNBMQRZ-WMZOPIPTSA-N 0 3 358.398 1.642 20 5 FDBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000299570126 259006981 /nfs/dbraw/zinc/00/69/81/259006981.db2.gz PHDQZUULBNZFFU-UHFFFAOYSA-N 0 3 359.386 1.525 20 5 FDBDHN CN1CCC[C@H](N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)C1 ZINC000301275807 259024684 /nfs/dbraw/zinc/02/46/84/259024684.db2.gz IYZSLXARPIAANJ-LBPRGKRZSA-N 0 3 350.448 1.520 20 5 FDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000301966135 259036552 /nfs/dbraw/zinc/03/65/52/259036552.db2.gz OICWFADOPMYYLP-QGZVFWFLSA-N 0 3 362.430 1.660 20 5 FDBDHN CC(C)(O)CN1CCc2c(cccc2Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000302137074 259039589 /nfs/dbraw/zinc/03/95/89/259039589.db2.gz IEOOXRGIUZEAAA-UHFFFAOYSA-N 0 3 358.402 1.840 20 5 FDBDHN C[C@@H](C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330429665 259144203 /nfs/dbraw/zinc/14/42/03/259144203.db2.gz VDWVXJYDDOIWBO-CYBMUJFWSA-N 0 3 366.437 1.980 20 5 FDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000330786255 259162932 /nfs/dbraw/zinc/16/29/32/259162932.db2.gz VIJOODCUIXDKST-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000330821059 259164579 /nfs/dbraw/zinc/16/45/79/259164579.db2.gz OXQONKKUZQJOPU-OLZOCXBDSA-N 0 3 352.439 1.380 20 5 FDBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1C ZINC000331493072 259199928 /nfs/dbraw/zinc/19/99/28/259199928.db2.gz YLMBPDKVJMNTBR-KGLIPLIRSA-N 0 3 362.430 1.644 20 5 FDBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000332605798 259281728 /nfs/dbraw/zinc/28/17/28/259281728.db2.gz APSVWJIMPPZNHH-DGCLKSJQSA-N 0 3 358.402 1.696 20 5 FDBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)c1 ZINC000366595079 259951450 /nfs/dbraw/zinc/95/14/50/259951450.db2.gz DRCAABMJLQJTQA-ZYHUDNBSSA-N 0 3 352.313 1.368 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000368420775 260181299 /nfs/dbraw/zinc/18/12/99/260181299.db2.gz XBBFQNXRNMXWRJ-UHFFFAOYSA-N 0 3 365.386 1.242 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2C(=N)NO)c([N+](=O)[O-])c1 ZINC000368523311 260195472 /nfs/dbraw/zinc/19/54/72/260195472.db2.gz DXDKUBIOGZNSSO-CYBMUJFWSA-N 0 3 365.390 1.743 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000368796477 260238100 /nfs/dbraw/zinc/23/81/00/260238100.db2.gz JSGJSJWHRLAQFC-IBGZPJMESA-N 0 3 370.409 1.699 20 5 FDBDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000369399242 260357787 /nfs/dbraw/zinc/35/77/87/260357787.db2.gz SPPONFICZOPWJX-UHFFFAOYSA-N 0 3 374.445 1.985 20 5 FDBDHN CCOC(=O)c1ccnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000369561839 260391754 /nfs/dbraw/zinc/39/17/54/260391754.db2.gz SVNNJUPIIVAZOM-NEPJUHHUSA-N 0 3 350.375 1.442 20 5 FDBDHN Cc1cc(OCC(=O)N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000374021412 261067022 /nfs/dbraw/zinc/06/70/22/261067022.db2.gz FIGYEGJGKLNAQX-UHFFFAOYSA-N 0 3 364.446 1.378 20 5 FDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000374850487 261211342 /nfs/dbraw/zinc/21/13/42/261211342.db2.gz MMXGIQROQUWDRX-UHFFFAOYSA-N 0 3 366.393 1.643 20 5 FDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(O)(CN2CCOCC2)CC1 ZINC000375000344 261244742 /nfs/dbraw/zinc/24/47/42/261244742.db2.gz WBVODFFRKJJQIC-UHFFFAOYSA-N 0 3 365.430 1.133 20 5 FDBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378375181 262014762 /nfs/dbraw/zinc/01/47/62/262014762.db2.gz ZSHDNXRNLZKYRZ-HNNXBMFYSA-N 0 3 360.458 1.764 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000407990034 262066215 /nfs/dbraw/zinc/06/62/15/262066215.db2.gz KDCBTFCZDNQDNZ-ZDUSSCGKSA-N 0 3 371.463 1.450 20 5 FDBDHN CCN1CCN(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000031784508 519462903 /nfs/dbraw/zinc/46/29/03/519462903.db2.gz OPPNNXQEUUOAPH-UHFFFAOYSA-N 0 3 356.448 1.048 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000041662953 519663381 /nfs/dbraw/zinc/66/33/81/519663381.db2.gz IKVIAGITPZDKRJ-GFCCVEGCSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047144424 522457988 /nfs/dbraw/zinc/45/79/88/522457988.db2.gz AAHOKPAIILMYRP-CQSZACIVSA-N 0 3 362.430 1.705 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000064334148 522701589 /nfs/dbraw/zinc/70/15/89/522701589.db2.gz HPANXTZVYGENPA-JKSUJKDBSA-N 0 3 374.441 1.788 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000048322261 522714246 /nfs/dbraw/zinc/71/42/46/522714246.db2.gz GYZALHYFYSLQEX-UHFFFAOYSA-N 0 3 358.402 1.229 20 5 FDBDHN CCN(CC)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048322025 522715026 /nfs/dbraw/zinc/71/50/26/522715026.db2.gz WKFJFUXYKKHYJC-GFCCVEGCSA-N 0 3 352.420 1.447 20 5 FDBDHN Cn1cc(CNC[C@@H](O)C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076906786 523198894 /nfs/dbraw/zinc/19/88/94/523198894.db2.gz TYTQYHPASUPKID-QGZVFWFLSA-N 0 3 360.414 1.872 20 5 FDBDHN CN(CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000067282100 523378977 /nfs/dbraw/zinc/37/89/77/523378977.db2.gz ODJPFTZNXDCEMG-UHFFFAOYSA-N 0 3 362.386 1.493 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067306081 523385281 /nfs/dbraw/zinc/38/52/81/523385281.db2.gz DDEYVEDNZIEGAR-ZDUSSCGKSA-N 0 3 356.386 1.390 20 5 FDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067361294 523404490 /nfs/dbraw/zinc/40/44/90/523404490.db2.gz IMZMXUUQPRGNNV-INIZCTEOSA-N 0 3 357.414 1.820 20 5 FDBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000121198466 524185135 /nfs/dbraw/zinc/18/51/35/524185135.db2.gz JAWFACBLPAQKRK-BLLLJJGKSA-N 0 3 372.429 1.896 20 5 FDBDHN Cc1cc(NC(=O)CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000172358897 524208353 /nfs/dbraw/zinc/20/83/53/524208353.db2.gz MSMSUFUTWTZEMN-LBPRGKRZSA-N 0 3 360.374 1.801 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000157101696 524210181 /nfs/dbraw/zinc/21/01/81/524210181.db2.gz ACADYAGPCPTKFN-HUUCEWRRSA-N 0 3 361.398 1.729 20 5 FDBDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111581528 524302655 /nfs/dbraw/zinc/30/26/55/524302655.db2.gz QYBCGHOYVIVHTD-NEPJUHHUSA-N 0 3 366.443 1.471 20 5 FDBDHN CC(=O)N(C)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000143684906 524372117 /nfs/dbraw/zinc/37/21/17/524372117.db2.gz UAVVQETYYIIGRG-INIZCTEOSA-N 0 3 351.403 1.277 20 5 FDBDHN CCN1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000158266629 524433762 /nfs/dbraw/zinc/43/37/62/524433762.db2.gz JYHPAXZZFWAFOL-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000174719167 524706033 /nfs/dbraw/zinc/70/60/33/524706033.db2.gz SGKCHTPRGNNKCE-ROUUACIJSA-N 0 3 359.430 1.579 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000174719157 524706501 /nfs/dbraw/zinc/70/65/01/524706501.db2.gz SGKCHTPRGNNKCE-ZWKOTPCHSA-N 0 3 359.430 1.579 20 5 FDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCN1CCN(C)CC1 ZINC000174721158 524708940 /nfs/dbraw/zinc/70/89/40/524708940.db2.gz KVUVHBLTPXFEQO-OAHLLOKOSA-N 0 3 363.462 1.491 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCN1CCN(C)CC1 ZINC000174727800 524711694 /nfs/dbraw/zinc/71/16/94/524711694.db2.gz XVHXLEQMHQACPX-UHFFFAOYSA-N 0 3 363.462 1.411 20 5 FDBDHN Cc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000152291872 524836572 /nfs/dbraw/zinc/83/65/72/524836572.db2.gz JQZWPVHCXPJYEG-OAHLLOKOSA-N 0 3 360.414 1.282 20 5 FDBDHN Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000152291754 524836771 /nfs/dbraw/zinc/83/67/71/524836771.db2.gz JQZWPVHCXPJYEG-HNNXBMFYSA-N 0 3 360.414 1.282 20 5 FDBDHN COCCN(C)CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000152430471 524881738 /nfs/dbraw/zinc/88/17/38/524881738.db2.gz SCCGWUCLVCOPNV-AWEZNQCLSA-N 0 3 361.402 1.757 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000124102448 524902830 /nfs/dbraw/zinc/90/28/30/524902830.db2.gz FRGDGYRNELQYEU-UHFFFAOYSA-N 0 3 359.386 1.564 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000152613081 524944850 /nfs/dbraw/zinc/94/48/50/524944850.db2.gz SFEVWEIKLFLJHY-SFHVURJKSA-N 0 3 364.446 1.628 20 5 FDBDHN CN(C)C[C@@](C)(O)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000152984940 525067284 /nfs/dbraw/zinc/06/72/84/525067284.db2.gz JLPIODYTRBQOLQ-SFHVURJKSA-N 0 3 364.446 1.240 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000116072701 525098836 /nfs/dbraw/zinc/09/88/36/525098836.db2.gz BGPPGXLRPBQFHX-UHFFFAOYSA-N 0 3 367.356 1.660 20 5 FDBDHN CN(C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000161554944 525126904 /nfs/dbraw/zinc/12/69/04/525126904.db2.gz XDIPFVFODZXRAC-AWEZNQCLSA-N 0 3 350.419 1.383 20 5 FDBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125355023 525193165 /nfs/dbraw/zinc/19/31/65/525193165.db2.gz PTABHZWPJGKGBL-HNNXBMFYSA-N 0 3 357.414 1.922 20 5 FDBDHN CC(C)[C@@H](CCO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000162184511 525223349 /nfs/dbraw/zinc/22/33/49/525223349.db2.gz BBEGXZPCZWDWSA-QGZVFWFLSA-N 0 3 364.446 1.240 20 5 FDBDHN COc1cc(C(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000101641486 525241339 /nfs/dbraw/zinc/24/13/39/525241339.db2.gz LRHYCOLBFFHNAB-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000162748790 525310544 /nfs/dbraw/zinc/31/05/44/525310544.db2.gz GYEWMCUKAATWDX-OKILXGFUSA-N 0 3 364.446 1.629 20 5 FDBDHN NC(=O)C[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117337222 525322791 /nfs/dbraw/zinc/32/27/91/525322791.db2.gz PUIOYVZWXWVJBC-LBPRGKRZSA-N 0 3 362.386 1.623 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)C[S@](C)=O ZINC000126764408 525350970 /nfs/dbraw/zinc/35/09/70/525350970.db2.gz BZRUHGSJGCGRSE-APXPCNQMSA-N 0 3 357.432 1.631 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000163503552 525417252 /nfs/dbraw/zinc/41/72/52/525417252.db2.gz LYWPFCVLDVBEPL-OAHLLOKOSA-N 0 3 367.471 1.885 20 5 FDBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000127679568 525449568 /nfs/dbraw/zinc/44/95/68/525449568.db2.gz KHIUZLMALCMLNP-UHFFFAOYSA-N 0 3 364.446 1.845 20 5 FDBDHN Cc1c(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000128447403 525544389 /nfs/dbraw/zinc/54/43/89/525544389.db2.gz NBEFARIVBVZAEV-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CN1C1CC1 ZINC000128468283 525546641 /nfs/dbraw/zinc/54/66/41/525546641.db2.gz PBLKSJVNAAKXLA-KBPBESRZSA-N 0 3 374.441 1.786 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000179318415 525558536 /nfs/dbraw/zinc/55/85/36/525558536.db2.gz PAGSKTZAWIHUKX-UHFFFAOYSA-N 0 3 373.413 1.930 20 5 FDBDHN Cc1c(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000119204836 525668871 /nfs/dbraw/zinc/66/88/71/525668871.db2.gz CCXPLABXXVUYPO-QGZVFWFLSA-N 0 3 374.441 1.386 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000106785557 525783505 /nfs/dbraw/zinc/78/35/05/525783505.db2.gz YBXLLQDTHNGSQT-CQSZACIVSA-N 0 3 370.413 1.922 20 5 FDBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCCC1 ZINC000155307023 525816897 /nfs/dbraw/zinc/81/68/97/525816897.db2.gz VLXISJFGLSVCDQ-OAHLLOKOSA-N 0 3 367.450 1.217 20 5 FDBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171088499 525836105 /nfs/dbraw/zinc/83/61/05/525836105.db2.gz WMBLVEKEYLRFIM-RDJZCZTQSA-N 0 3 374.441 1.718 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000131812983 525904806 /nfs/dbraw/zinc/90/48/06/525904806.db2.gz YSDAPCKDFOAIAM-AWEZNQCLSA-N 0 3 358.402 1.309 20 5 FDBDHN CC1CCN(C[C@@H](O)CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000109129835 526077095 /nfs/dbraw/zinc/07/70/95/526077095.db2.gz VBHNPAKYHPAFNC-AWEZNQCLSA-N 0 3 362.430 1.984 20 5 FDBDHN COCCN1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120640665 526135860 /nfs/dbraw/zinc/13/58/60/526135860.db2.gz UHMCFAIYEAOSNL-UHFFFAOYSA-N 0 3 350.419 1.547 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183380407 535970490 /nfs/dbraw/zinc/97/04/90/535970490.db2.gz OGZNWOGRRQMWGW-HOCLYGCPSA-N 0 3 350.350 1.445 20 5 FDBDHN C[C@@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184383978 536142516 /nfs/dbraw/zinc/14/25/16/536142516.db2.gz XRWZLXPEHGOPGS-UONOGXRCSA-N 0 3 366.437 1.980 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000184811794 536185461 /nfs/dbraw/zinc/18/54/61/536185461.db2.gz DHCRNEQSAYTUKU-MRXNPFEDSA-N 0 3 363.414 1.863 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)[C@H](C)C1 ZINC000187675689 536271447 /nfs/dbraw/zinc/27/14/47/536271447.db2.gz KDPWKHGOXDPWRD-CQSZACIVSA-N 0 3 350.419 1.230 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000262839658 536915576 /nfs/dbraw/zinc/91/55/76/536915576.db2.gz RDDGGDQJARRWEW-UHFFFAOYSA-N 0 3 370.373 1.372 20 5 FDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000189479990 537054383 /nfs/dbraw/zinc/05/43/83/537054383.db2.gz DYKJEEUHSUSSKP-INIZCTEOSA-N 0 3 370.409 1.674 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248432467 537181053 /nfs/dbraw/zinc/18/10/53/537181053.db2.gz VOYWFNONWYGRMR-UKRRQHHQSA-N 0 3 353.444 1.841 20 5 FDBDHN CN(C)CCN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193828032 537255964 /nfs/dbraw/zinc/25/59/64/537255964.db2.gz CGGHKYALGIUJHT-UHFFFAOYSA-N 0 3 363.462 1.463 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272747294 537328424 /nfs/dbraw/zinc/32/84/24/537328424.db2.gz SEPGFKCTHYUCET-ZDUSSCGKSA-N 0 3 364.406 1.054 20 5 FDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000293167174 537374314 /nfs/dbraw/zinc/37/43/14/537374314.db2.gz GECGCCQDHUWFIU-INIZCTEOSA-N 0 3 350.419 1.982 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285938483 537376663 /nfs/dbraw/zinc/37/66/63/537376663.db2.gz LZZDNSSHRUKKGA-OAGGEKHMSA-N 0 3 365.430 1.130 20 5 FDBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000298953299 537386506 /nfs/dbraw/zinc/38/65/06/537386506.db2.gz OOHUYJXNQAVSTJ-JNDILOIQSA-N 0 3 357.432 1.631 20 5 FDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000273088995 537395603 /nfs/dbraw/zinc/39/56/03/537395603.db2.gz JDTVAJQAQYVTFD-CYBMUJFWSA-N 0 3 355.192 1.877 20 5 FDBDHN C[C@@H]1CN(CCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000195317712 537396798 /nfs/dbraw/zinc/39/67/98/537396798.db2.gz JMSLOYCBDBXPQO-GASCZTMLSA-N 0 3 364.446 1.964 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C(=O)NC2(CCCC2)C1=O ZINC000285428538 537710419 /nfs/dbraw/zinc/71/04/19/537710419.db2.gz WMEDOTQUTXFXQW-UHFFFAOYSA-N 0 3 360.414 1.934 20 5 FDBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285591865 537734687 /nfs/dbraw/zinc/73/46/87/537734687.db2.gz BNEBKMJRGRWTSO-QWRGUYRKSA-N 0 3 351.359 1.403 20 5 FDBDHN CCN1CCO[C@H](CN2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000375794298 537768471 /nfs/dbraw/zinc/76/84/71/537768471.db2.gz KVSUDNLYUAFDNQ-IBGZPJMESA-N 0 3 362.474 1.476 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCCCNC1=O ZINC000377576224 537981964 /nfs/dbraw/zinc/98/19/64/537981964.db2.gz AVMVIGUHBMUMEM-AWEZNQCLSA-N 0 3 364.402 1.533 20 5 FDBDHN C[C@@H](CO)N1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372740210 538019653 /nfs/dbraw/zinc/01/96/53/538019653.db2.gz LZOGGCKJTBOAMV-KBPBESRZSA-N 0 3 350.419 1.310 20 5 FDBDHN Cc1c([C@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000372778445 538026073 /nfs/dbraw/zinc/02/60/73/538026073.db2.gz CGUCCTKNBSHEED-DLBZAZTESA-N 0 3 362.474 1.960 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369777334 538066325 /nfs/dbraw/zinc/06/63/25/538066325.db2.gz ISBLVBXXOUFVDD-XJKSGUPXSA-N 0 3 361.446 1.275 20 5 FDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1 ZINC000438525288 538119902 /nfs/dbraw/zinc/11/99/02/538119902.db2.gz CCSFAUQRRGZZNG-UHFFFAOYSA-N 0 3 353.444 1.893 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(N(C)C)CCC1 ZINC000438529195 538120378 /nfs/dbraw/zinc/12/03/78/538120378.db2.gz DDGRSIFSOVWVSR-GFCCVEGCSA-N 0 3 352.439 1.428 20 5 FDBDHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@H]1CN ZINC000423717435 538149117 /nfs/dbraw/zinc/14/91/17/538149117.db2.gz AYRMIHNRCVKOCR-BBRMVZONSA-N 0 3 362.430 1.182 20 5 FDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](O)CN3CCc4ccccc4C3)nc2c1 ZINC000427982258 538259995 /nfs/dbraw/zinc/25/99/95/538259995.db2.gz IEVNWXSVJMHDOG-MRXNPFEDSA-N 0 3 367.409 1.724 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000560508245 545528993 /nfs/dbraw/zinc/52/89/93/545528993.db2.gz YLNMBYRTAYNSSQ-IBGZPJMESA-N 0 3 374.441 1.382 20 5 FDBDHN O=C(NCCNc1ccncc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446903649 538328927 /nfs/dbraw/zinc/32/89/27/538328927.db2.gz BWTYNQGYBXVDQE-UHFFFAOYSA-N 0 3 355.358 1.199 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC/C=C\c1ccncc1 ZINC000487267555 538624419 /nfs/dbraw/zinc/62/44/19/538624419.db2.gz KSMDAXAGQAXGLV-ARJAWSKDSA-N 0 3 362.411 1.571 20 5 FDBDHN CC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1CCOCC1 ZINC000480692444 538862688 /nfs/dbraw/zinc/86/26/88/538862688.db2.gz YZRSYXHCBMSQOT-LBPRGKRZSA-N 0 3 370.427 1.236 20 5 FDBDHN CCCN1CCC[C@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000561446118 545854050 /nfs/dbraw/zinc/85/40/50/545854050.db2.gz QJAWZOGIXLHYJI-LBPRGKRZSA-N 0 3 356.448 1.789 20 5 FDBDHN CC(=O)N1CC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000562992691 546345077 /nfs/dbraw/zinc/34/50/77/546345077.db2.gz XIEBHDLQUKWFAA-GDBMZVCRSA-N 0 3 359.386 1.240 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ncccc1F ZINC000562996076 546347878 /nfs/dbraw/zinc/34/78/78/546347878.db2.gz GZYSFQHUJBTSJS-GFCCVEGCSA-N 0 3 351.334 1.537 20 5 FDBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000563811226 546693636 /nfs/dbraw/zinc/69/36/36/546693636.db2.gz VMXKQAXSUQMYBC-DRZSPHRISA-N 0 3 352.309 1.626 20 5 FDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000564845296 547063753 /nfs/dbraw/zinc/06/37/53/547063753.db2.gz SUSWAEKGJPIWEX-LBPRGKRZSA-N 0 3 372.328 1.552 20 5 FDBDHN COC(=O)COc1ccc(CN(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000565138948 547217542 /nfs/dbraw/zinc/21/75/42/547217542.db2.gz MQXQIBBANIGSGJ-UHFFFAOYSA-N 0 3 351.403 1.674 20 5 FDBDHN O=c1[nH]c2ccccc2n1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566110962 547608881 /nfs/dbraw/zinc/60/88/81/547608881.db2.gz UUNBDTVXLNTFHJ-CYBMUJFWSA-N 0 3 372.381 1.680 20 5 FDBDHN CCOc1cc(N2CCN(CC[C@H]3CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000566981397 547952160 /nfs/dbraw/zinc/95/21/60/547952160.db2.gz CFAOYUYACXWVER-CQSZACIVSA-N 0 3 362.430 1.642 20 5 FDBDHN CC1(C)Oc2ccsc2[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC000567872875 548301631 /nfs/dbraw/zinc/30/16/31/548301631.db2.gz ITGOIHSVCJQCNS-QKCSRTOESA-N 0 3 368.415 1.077 20 5 FDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000569993451 549122807 /nfs/dbraw/zinc/12/28/07/549122807.db2.gz SGHMJDPHPNUSHS-XEZPLFJOSA-N 0 3 360.414 1.722 20 5 FDBDHN Cc1ccc(C[C@@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570720528 549388794 /nfs/dbraw/zinc/38/87/94/549388794.db2.gz HCVVSUUCPJLQIB-DLBZAZTESA-N 0 3 360.410 1.836 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000571973211 549814621 /nfs/dbraw/zinc/81/46/21/549814621.db2.gz HVDDMYMXNJCMGO-GFCCVEGCSA-N 0 3 374.397 1.134 20 5 FDBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccncc1 ZINC000578755526 550797999 /nfs/dbraw/zinc/79/79/99/550797999.db2.gz LEIJXYWEECOUIF-UHFFFAOYSA-N 0 3 358.402 1.561 20 5 FDBDHN CN1CCC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579110860 550836995 /nfs/dbraw/zinc/83/69/95/550836995.db2.gz LFRULGMGZBSHLY-UHFFFAOYSA-N 0 3 355.460 1.690 20 5 FDBDHN C[C@@H](Cc1cnn(C)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580802012 551020093 /nfs/dbraw/zinc/02/00/93/551020093.db2.gz HCAIGHAQZAJNEH-LBPRGKRZSA-N 0 3 352.416 1.323 20 5 FDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000581259579 551069350 /nfs/dbraw/zinc/06/93/50/551069350.db2.gz NVJYLKMOQJUQBM-UHFFFAOYSA-N 0 3 351.407 1.191 20 5 FDBDHN COc1ccc2c(c1)OC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000581998218 551160775 /nfs/dbraw/zinc/16/07/75/551160775.db2.gz AGJODRJBLIFWDF-ZBFHGGJFSA-N 0 3 374.393 1.936 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000582116987 551178193 /nfs/dbraw/zinc/17/81/93/551178193.db2.gz ABUGEHBZLSOXTB-GFCCVEGCSA-N 0 3 350.400 1.239 20 5 FDBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](CN)C1 ZINC000583692213 551388247 /nfs/dbraw/zinc/38/82/47/551388247.db2.gz ODLANDDQJWPSMN-JTQLQIEISA-N 0 3 357.208 1.072 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860569 551694144 /nfs/dbraw/zinc/69/41/44/551694144.db2.gz IRQLMMDDVLUNDR-HUUCEWRRSA-N 0 3 358.398 1.286 20 5 FDBDHN NS(=O)(=O)c1ccc(N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000589105441 551710230 /nfs/dbraw/zinc/71/02/30/551710230.db2.gz JRQHBJDIZSXHBN-UHFFFAOYSA-N 0 3 354.432 1.307 20 5 FDBDHN COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000590399686 551780360 /nfs/dbraw/zinc/78/03/60/551780360.db2.gz CZGNUKIQHWIFLC-GOEBONIOSA-N 0 3 363.414 1.847 20 5 FDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590564259 551793066 /nfs/dbraw/zinc/79/30/66/551793066.db2.gz ZCSJXXCODOTBFL-CABCVRRESA-N 0 3 359.386 1.406 20 5 FDBDHN Nc1ccc(NCc2ccccc2CN2CCC(O)CC2)nc1[N+](=O)[O-] ZINC000590577441 551794198 /nfs/dbraw/zinc/79/41/98/551794198.db2.gz FADSWHQZAMXHRO-UHFFFAOYSA-N 0 3 357.414 2.141 20 5 FDBDHN Nc1n[nH]c(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000590601469 551797234 /nfs/dbraw/zinc/79/72/34/551797234.db2.gz YBOBIJLWWJLTFP-UHFFFAOYSA-N 0 3 359.390 1.503 20 5 FDBDHN CO[C@@H](CN)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000591672139 551894968 /nfs/dbraw/zinc/89/49/68/551894968.db2.gz DCEHGZUVIGXJSY-JSGCOSHPSA-N 0 3 353.375 1.068 20 5 FDBDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000591966018 551921200 /nfs/dbraw/zinc/92/12/00/551921200.db2.gz IPIFNOCGSNTYMT-CHWSQXEVSA-N 0 3 363.418 1.417 20 5 FDBDHN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1 ZINC000592248264 551966856 /nfs/dbraw/zinc/96/68/56/551966856.db2.gz XWYRDOHUESPUIV-OAHLLOKOSA-N 0 3 362.430 1.501 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000592446353 551996598 /nfs/dbraw/zinc/99/65/98/551996598.db2.gz SDBGDEVIRQVYJR-ZDUSSCGKSA-N 0 3 374.422 1.859 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000592463441 551998351 /nfs/dbraw/zinc/99/83/51/551998351.db2.gz RXUJIRFPYBBLPP-SNVBAGLBSA-N 0 3 353.354 1.318 20 5 FDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000592880941 552038572 /nfs/dbraw/zinc/03/85/72/552038572.db2.gz QDGHDHOQBUZQCH-LLVKDONJSA-N 0 3 366.443 1.509 20 5 FDBDHN O=C([C@@H]1CNCCC1(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592956267 552048037 /nfs/dbraw/zinc/04/80/37/552048037.db2.gz FRGONYPFTZAHRD-AWEZNQCLSA-N 0 3 354.357 1.488 20 5 FDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000593052139 552056310 /nfs/dbraw/zinc/05/63/10/552056310.db2.gz NUMVDQSZWHVPIY-UHFFFAOYSA-N 0 3 364.446 1.588 20 5 FDBDHN COc1ccc(NC(=O)CN(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593112579 552064019 /nfs/dbraw/zinc/06/40/19/552064019.db2.gz PTGXLHRHKSXSGD-UHFFFAOYSA-N 0 3 350.419 1.960 20 5 FDBDHN C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000593466691 552113513 /nfs/dbraw/zinc/11/35/13/552113513.db2.gz IWKGMPQSNVNHRS-CYBMUJFWSA-N 0 3 352.410 1.276 20 5 FDBDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000593527531 552123719 /nfs/dbraw/zinc/12/37/19/552123719.db2.gz ZASPWHGEZBPJDO-UHFFFAOYSA-N 0 3 364.427 1.790 20 5 FDBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000593527531 552123721 /nfs/dbraw/zinc/12/37/21/552123721.db2.gz ZASPWHGEZBPJDO-UHFFFAOYSA-N 0 3 364.427 1.790 20 5 FDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000593670871 552169989 /nfs/dbraw/zinc/16/99/89/552169989.db2.gz XVUXKNSUJSPGER-BETUJISGSA-N 0 3 372.429 1.939 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000593720911 552182336 /nfs/dbraw/zinc/18/23/36/552182336.db2.gz MLCCJKNTMRSQOV-DLBZAZTESA-N 0 3 369.425 1.924 20 5 FDBDHN CN(C)CCn1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000594359883 552295520 /nfs/dbraw/zinc/29/55/20/552295520.db2.gz QFSUEENSZOVGNJ-UHFFFAOYSA-N 0 3 370.413 1.807 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594419760 552307258 /nfs/dbraw/zinc/30/72/58/552307258.db2.gz RDYPNJPYMDRTQZ-NVXWUHKLSA-N 0 3 374.441 1.766 20 5 FDBDHN Cc1cncc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594732033 552366882 /nfs/dbraw/zinc/36/68/82/552366882.db2.gz JVIOCHZWZRFZPL-UHFFFAOYSA-N 0 3 350.400 1.299 20 5 FDBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(CO)COCCN1Cc1ccccc1 ZINC000594990983 552433115 /nfs/dbraw/zinc/43/31/15/552433115.db2.gz WRMWXMKZYUKQFF-HXUWFJFHSA-N 0 3 371.437 1.948 20 5 FDBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000594989806 552433162 /nfs/dbraw/zinc/43/31/62/552433162.db2.gz KJNSPECFHOJZGR-HXUWFJFHSA-N 0 3 371.437 1.948 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCCS1(=O)=O ZINC000595016301 552437519 /nfs/dbraw/zinc/43/75/19/552437519.db2.gz WYJQQQRXLOCMDI-GFCCVEGCSA-N 0 3 357.432 1.680 20 5 FDBDHN CCS(=O)(=O)C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595104362 552451513 /nfs/dbraw/zinc/45/15/13/552451513.db2.gz PLZCPLRVOYMLMU-CHWSQXEVSA-N 0 3 356.448 1.832 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1F ZINC000595123078 552458455 /nfs/dbraw/zinc/45/84/55/552458455.db2.gz QORKUZSWTLIKIZ-GHMZBOCLSA-N 0 3 354.363 1.203 20 5 FDBDHN COc1ccc(CSCC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260987 552506950 /nfs/dbraw/zinc/50/69/50/552506950.db2.gz QDWXWYBZHQONQP-VXGBXAGGSA-N 0 3 357.407 1.734 20 5 FDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595593164 552589553 /nfs/dbraw/zinc/58/95/53/552589553.db2.gz RTXPPGCNKKRSOX-IRXDYDNUSA-N 0 3 360.410 1.870 20 5 FDBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000595616208 552593349 /nfs/dbraw/zinc/59/33/49/552593349.db2.gz QYTYDYQNTOMDKP-MRXNPFEDSA-N 0 3 351.403 1.873 20 5 FDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595850010 552623387 /nfs/dbraw/zinc/62/33/87/552623387.db2.gz KCUWTZRVNQJVRT-HUUCEWRRSA-N 0 3 365.430 1.571 20 5 FDBDHN N[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1F ZINC000595989254 552641445 /nfs/dbraw/zinc/64/14/45/552641445.db2.gz JJKXYDNFBPHHHY-ZIAGYGMSSA-N 0 3 350.394 1.709 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596053200 552650454 /nfs/dbraw/zinc/65/04/54/552650454.db2.gz XQKMDWCBWRRVIL-NSHDSACASA-N 0 3 355.338 1.667 20 5 FDBDHN CCN1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596270323 552669783 /nfs/dbraw/zinc/66/97/83/552669783.db2.gz ZXOWUIZYXJERBJ-LBPRGKRZSA-N 0 3 356.448 1.423 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597696090 552823107 /nfs/dbraw/zinc/82/31/07/552823107.db2.gz VGKRAXSPGMJROB-GOEBONIOSA-N 0 3 363.414 1.685 20 5 FDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597696670 552823297 /nfs/dbraw/zinc/82/32/97/552823297.db2.gz WUBXSSJRDONFNA-JSGCOSHPSA-N 0 3 363.370 1.259 20 5 FDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(CC)C1 ZINC000598043926 552859970 /nfs/dbraw/zinc/85/99/70/552859970.db2.gz XMFGFLDLSIICEH-ZDUSSCGKSA-N 0 3 351.403 1.925 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261559 552880593 /nfs/dbraw/zinc/88/05/93/552880593.db2.gz HCKNLOVPYQTKBN-CQSZACIVSA-N 0 3 362.430 1.561 20 5 FDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCN1 ZINC000598576706 552910712 /nfs/dbraw/zinc/91/07/12/552910712.db2.gz YXIISTNRQUHAMC-AWEZNQCLSA-N 0 3 353.444 1.749 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596679 552913188 /nfs/dbraw/zinc/91/31/88/552913188.db2.gz SPNXTBLAMKGLFC-KBPBESRZSA-N 0 3 364.450 1.896 20 5 FDBDHN COC(=O)c1ccnc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000598625809 552917599 /nfs/dbraw/zinc/91/75/99/552917599.db2.gz REWQZDKPQDVBEC-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FDBDHN CCC1(N2CCOCC2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599664784 553116461 /nfs/dbraw/zinc/11/64/61/553116461.db2.gz PXBGKGTZJNWWAK-UHFFFAOYSA-N 0 3 364.446 1.333 20 5 FDBDHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599939241 553179475 /nfs/dbraw/zinc/17/94/75/553179475.db2.gz UCASIEIIRNVHFD-IACUBPJLSA-N 0 3 351.378 1.505 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](n1cccn1)C(F)(F)F ZINC000600749279 553310876 /nfs/dbraw/zinc/31/08/76/553310876.db2.gz WOSLFBGJHNHXQJ-FZMZJTMJSA-N 0 3 374.319 1.924 20 5 FDBDHN COCCN1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601107544 553348467 /nfs/dbraw/zinc/34/84/67/553348467.db2.gz AVQPLCQKPUNPEK-UHFFFAOYSA-N 0 3 351.329 1.870 20 5 FDBDHN O=C1CC[C@@H](N2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)CC2)CCN1 ZINC000601172110 553355887 /nfs/dbraw/zinc/35/58/87/553355887.db2.gz VCRPDDVNPWZKCG-CQSZACIVSA-N 0 3 369.425 1.934 20 5 FDBDHN CN1CCN(c2ccnc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000601804358 553477529 /nfs/dbraw/zinc/47/75/29/553477529.db2.gz KINIMZRYDXOLIX-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN CC(C)(C)N1CC[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602702054 553624721 /nfs/dbraw/zinc/62/47/21/553624721.db2.gz NAUSIHUAAPYZKK-HNNXBMFYSA-N 0 3 361.446 1.948 20 5 FDBDHN COc1cc(Cn2cc(CCN(C)C)nn2)c([N+](=O)[O-])cc1OC(F)F ZINC000603191310 553727629 /nfs/dbraw/zinc/72/76/29/553727629.db2.gz QBVFICTVWVUTLW-UHFFFAOYSA-N 0 3 371.344 1.949 20 5 FDBDHN C[C@@H]1CCCN(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000603858120 553821366 /nfs/dbraw/zinc/82/13/66/553821366.db2.gz MDZUSQLCMLNLQR-CYBMUJFWSA-N 0 3 370.475 1.989 20 5 FDBDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609354035 554371890 /nfs/dbraw/zinc/37/18/90/554371890.db2.gz HZTSXSNKEAMQLC-RYUDHWBXSA-N 0 3 356.448 1.917 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609448052 554377532 /nfs/dbraw/zinc/37/75/32/554377532.db2.gz QHGDNXMFHQKUAV-UHFFFAOYSA-N 0 3 366.393 1.360 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)C1 ZINC000609664640 554408967 /nfs/dbraw/zinc/40/89/67/554408967.db2.gz DKKGQNJDJMUZRN-HNNXBMFYSA-N 0 3 371.441 1.928 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609920412 554438128 /nfs/dbraw/zinc/43/81/28/554438128.db2.gz KKPFQQRQLKTCPK-CQSZACIVSA-N 0 3 351.407 1.027 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000611185722 554613353 /nfs/dbraw/zinc/61/33/53/554613353.db2.gz TZRBJVMJZYNVEM-IYBDPMFKSA-N 0 3 354.410 1.825 20 5 FDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708456 554669617 /nfs/dbraw/zinc/66/96/17/554669617.db2.gz DIDOZFNMFFRWOS-INIZCTEOSA-N 0 3 372.429 1.893 20 5 FDBDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065574 554729213 /nfs/dbraw/zinc/72/92/13/554729213.db2.gz BYVBFVAHUUDTNL-ZIAGYGMSSA-N 0 3 352.387 1.752 20 5 FDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824606634 608460969 /nfs/dbraw/zinc/46/09/69/608460969.db2.gz QWGLDZZMQKXBOT-LLVKDONJSA-N 0 3 355.358 1.287 20 5 FDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824606634 608460971 /nfs/dbraw/zinc/46/09/71/608460971.db2.gz QWGLDZZMQKXBOT-LLVKDONJSA-N 0 3 355.358 1.287 20 5 FDBDHN CCOC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000286044248 675864800 /nfs/dbraw/zinc/86/48/00/675864800.db2.gz IMEHYZTVTCESDO-LBPRGKRZSA-N 0 3 353.375 1.913 20 5 FDBDHN CCN1CCN([C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000286077179 675869117 /nfs/dbraw/zinc/86/91/17/675869117.db2.gz ACJKOPCUZWMVAD-LBPRGKRZSA-N 0 3 362.459 1.816 20 5 FDBDHN CS[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1N(C)C ZINC000331592330 676732525 /nfs/dbraw/zinc/73/25/25/676732525.db2.gz OXELERGELNSPBK-BZUAXINKSA-N 0 3 364.471 1.678 20 5 FDBDHN COCCCN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000362884026 676926366 /nfs/dbraw/zinc/92/63/66/676926366.db2.gz GFOZSIUJNCPYGQ-UHFFFAOYSA-N 0 3 351.403 1.544 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000363206013 676941094 /nfs/dbraw/zinc/94/10/94/676941094.db2.gz AEFKSGAUAOKXGR-BXUZGUMPSA-N 0 3 350.331 1.096 20 5 FDBDHN C[C@@H](CO)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000364922507 677064384 /nfs/dbraw/zinc/06/43/84/677064384.db2.gz NGKDXXYRJANDEA-LBPRGKRZSA-N 0 3 355.366 1.028 20 5 FDBDHN COC(=O)c1cnc(N2CCCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000377023205 678428832 /nfs/dbraw/zinc/42/88/32/678428832.db2.gz NNAKWRWVWHNQOA-UHFFFAOYSA-N 0 3 352.391 1.059 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000452791557 683119565 /nfs/dbraw/zinc/11/95/65/683119565.db2.gz DOPMLZZKBBMANM-AWEZNQCLSA-N 0 3 351.403 1.327 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000468051254 684887236 /nfs/dbraw/zinc/88/72/36/684887236.db2.gz OFOBGPVWXSROOG-YPMHNXCESA-N 0 3 350.423 1.180 20 5 FDBDHN COc1ccc(NC(=O)CN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487998344 687019648 /nfs/dbraw/zinc/01/96/48/687019648.db2.gz HRLLDCGDHSZVBX-MRXNPFEDSA-N 0 3 350.419 1.814 20 5 FDBDHN CCCC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000496204631 687644558 /nfs/dbraw/zinc/64/45/58/687644558.db2.gz QAQSCBPZDMAVJD-LBPRGKRZSA-N 0 3 372.447 1.044 20 5 FDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000502845591 688305927 /nfs/dbraw/zinc/30/59/27/688305927.db2.gz WCKCHXNIDMBJQT-NEPJUHHUSA-N 0 3 350.375 1.046 20 5 FDBDHN O=C(CC(F)(F)F)NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000511060700 689456342 /nfs/dbraw/zinc/45/63/42/689456342.db2.gz VBFFPZSHNCTZPX-LLVKDONJSA-N 0 3 363.340 1.572 20 5 FDBDHN O=C(CN[C@@H](CO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518427012 690140510 /nfs/dbraw/zinc/14/05/10/690140510.db2.gz PUYUIFZAQCRPNQ-AWEZNQCLSA-N 0 3 357.794 1.564 20 5 FDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000526919772 694645804 /nfs/dbraw/zinc/64/58/04/694645804.db2.gz WYBJTUAJVWYISM-ZDUSSCGKSA-N 0 3 350.350 1.369 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000527290588 694663349 /nfs/dbraw/zinc/66/33/49/694663349.db2.gz ISNOCFCTMFNEDU-LLVKDONJSA-N 0 3 371.415 1.002 20 5 FDBDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620191 719131899 /nfs/dbraw/zinc/13/18/99/719131899.db2.gz HSMMXLNOAZNMOW-SECBINFHSA-N 0 3 350.709 1.139 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766453 721077488 /nfs/dbraw/zinc/07/74/88/721077488.db2.gz KHLSLIYFNMNLKG-JKSUJKDBSA-N 0 3 356.430 1.990 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000478491825 782721008 /nfs/dbraw/zinc/72/10/08/782721008.db2.gz SKNPXRMEVXKTJZ-UHFFFAOYSA-N 0 3 372.381 1.726 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261703268 774360368 /nfs/dbraw/zinc/36/03/68/774360368.db2.gz GLAPXZLCNMKEIE-HNNXBMFYSA-N 0 3 358.402 1.222 20 5 FDBDHN Nc1nc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000276982568 780489488 /nfs/dbraw/zinc/48/94/88/780489488.db2.gz FSOVPDIAFIHYQC-CQSZACIVSA-N 0 3 358.402 1.670 20 5 FDBDHN C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1cccc([N+](=O)[O-])c1 ZINC000892112407 781574075 /nfs/dbraw/zinc/57/40/75/781574075.db2.gz RMRUTOSEHOJQKK-JQFCIGGWSA-N 0 3 362.430 1.896 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377098508 791063497 /nfs/dbraw/zinc/06/34/97/791063497.db2.gz IMIAJYXVZHPXPC-CZUORRHYSA-N 0 3 357.414 1.879 20 5 FDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415235059 791708095 /nfs/dbraw/zinc/70/80/95/791708095.db2.gz VRUZWETZPFNQBW-UHFFFAOYSA-N 0 3 368.393 1.838 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893226969 794092333 /nfs/dbraw/zinc/09/23/33/794092333.db2.gz UGVZQVCPAIUWLU-GOSISDBHSA-N 0 3 365.430 1.631 20 5 FDBDHN CN(CC(=O)N1CCCN(CC(C)(C)O)CC1)c1ccccc1[N+](=O)[O-] ZINC000364143490 795268398 /nfs/dbraw/zinc/26/83/98/795268398.db2.gz NFHJIZOZQLCZLP-UHFFFAOYSA-N 0 3 364.446 1.336 20 5 FDBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000397575910 810540087 /nfs/dbraw/zinc/54/00/87/810540087.db2.gz CFNWEQBZIUCEQE-UHFFFAOYSA-N 0 3 358.398 1.680 20 5 FDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000419796674 812189991 /nfs/dbraw/zinc/18/99/91/812189991.db2.gz PIAOEZMDBTUYTF-UHFFFAOYSA-N 0 3 372.328 1.345 20 5 FDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000366592167 813639457 /nfs/dbraw/zinc/63/94/57/813639457.db2.gz UXMDNISHCGMHNX-ZDUSSCGKSA-N 0 3 367.377 1.482 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000366906140 814117382 /nfs/dbraw/zinc/11/73/82/814117382.db2.gz XKHONCKAEDJGQZ-UONOGXRCSA-N 0 3 364.402 1.978 20 5 FDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515498867 816290928 /nfs/dbraw/zinc/29/09/28/816290928.db2.gz JUFSLSRUXUYZFV-GJZGRUSLSA-N 0 3 368.397 1.108 20 5 FDBDHN CN1CCN(CCCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000515541787 816323519 /nfs/dbraw/zinc/32/35/19/816323519.db2.gz CUFNUJTYWBNURA-UHFFFAOYSA-N 0 3 370.400 1.559 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894352922 817538966 /nfs/dbraw/zinc/53/89/66/817538966.db2.gz BASWUPZMYMWCLJ-GFCCVEGCSA-N 0 3 373.413 1.003 20 5 FDBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000473984593 819840267 /nfs/dbraw/zinc/84/02/67/819840267.db2.gz QDEWWRCGOLYPQP-XJKSGUPXSA-N 0 3 368.386 1.430 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000521100335 821086442 /nfs/dbraw/zinc/08/64/42/821086442.db2.gz STCQGKREPGNJPN-UHFFFAOYSA-N 0 3 364.402 1.390 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000440923050 828401985 /nfs/dbraw/zinc/40/19/85/828401985.db2.gz FHMQVENPFIATMS-SUHUHFCYSA-N 0 3 364.450 1.569 20 5 FDBDHN COC(=O)Cc1ccc(NC[C@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896521813 824477198 /nfs/dbraw/zinc/47/71/98/824477198.db2.gz FVDXRXRBROTHAW-OAHLLOKOSA-N 0 3 363.414 1.976 20 5 FDBDHN CN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1(C)C ZINC000281787658 826243196 /nfs/dbraw/zinc/24/31/96/826243196.db2.gz NPQAMVULRXSTCP-UHFFFAOYSA-N 0 3 368.409 1.255 20 5 FDBDHN CN(Cc1nnc(C(C)(C)C)[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431690 827813146 /nfs/dbraw/zinc/81/31/46/827813146.db2.gz RWKLBCQFPXERLK-CHWSQXEVSA-N 0 3 364.450 1.190 20 5 FDBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000440522649 828174539 /nfs/dbraw/zinc/17/45/39/828174539.db2.gz PEEAHYXTARPOPD-LJQANCHMSA-N 0 3 355.394 1.962 20 5 FDBDHN COC[C@@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000449699531 829613144 /nfs/dbraw/zinc/61/31/44/829613144.db2.gz QBASCVHVABUVAK-SFHVURJKSA-N 0 3 360.414 1.826 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450395932 829943866 /nfs/dbraw/zinc/94/38/66/829943866.db2.gz UXXYSUGGUYBGJS-QGZVFWFLSA-N 0 3 369.425 1.886 20 5 FDBDHN COc1ccc(CC(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000520359396 830949616 /nfs/dbraw/zinc/94/96/16/830949616.db2.gz IQEVFFBWBFJSLB-UHFFFAOYSA-N 0 3 364.446 1.242 20 5 FDBDHN Nc1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428537987 832128402 /nfs/dbraw/zinc/12/84/02/832128402.db2.gz MSRMQVXOJUUGLV-CQSZACIVSA-N 0 3 356.382 1.996 20 5 FDBDHN CN(CCN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1)Cc1ccccc1 ZINC000475870831 834663743 /nfs/dbraw/zinc/66/37/43/834663743.db2.gz OWHCZTGIODRAPX-UHFFFAOYSA-N 0 3 372.473 1.578 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454637349 835594819 /nfs/dbraw/zinc/59/48/19/835594819.db2.gz GNMXRUHRGVMLLY-CYBMUJFWSA-N 0 3 360.418 1.058 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843791224 840563146 /nfs/dbraw/zinc/56/31/46/840563146.db2.gz PPBCLYSUVBJADF-UHFFFAOYSA-N 0 3 364.446 1.845 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000478462846 843776838 /nfs/dbraw/zinc/77/68/38/843776838.db2.gz NKWRYAYZNZLSNR-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000478466397 843778362 /nfs/dbraw/zinc/77/83/62/843778362.db2.gz XBUMEIVAQYCGHS-UHFFFAOYSA-N 0 3 356.382 1.890 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000480299319 845018037 /nfs/dbraw/zinc/01/80/37/845018037.db2.gz CLYUPULUIAIZNY-CRAIPNDOSA-N 0 3 366.414 1.604 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000898832920 845310972 /nfs/dbraw/zinc/31/09/72/845310972.db2.gz UHEZCGYDKSKZDC-INIZCTEOSA-N 0 3 372.429 1.791 20 5 FDBDHN CC(=O)N[C@H](C)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000481123894 846128640 /nfs/dbraw/zinc/12/86/40/846128640.db2.gz GRTNZLVTEYDBJP-CZUORRHYSA-N 0 3 365.430 1.571 20 5 FDBDHN Cc1oc(-c2cccs2)nc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943551 848862019 /nfs/dbraw/zinc/86/20/19/848862019.db2.gz QSXXMAHFZQTJFO-ZYHUDNBSSA-N 0 3 350.400 1.583 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486256922 854068008 /nfs/dbraw/zinc/06/80/08/854068008.db2.gz SXOYYIGWPONBSR-GFCCVEGCSA-N 0 3 370.400 1.558 20 5 FDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c(F)cc1[N+](=O)[O-] ZINC000907563293 854366971 /nfs/dbraw/zinc/36/69/71/854366971.db2.gz DKRZRQQYISYCJD-ABAIWWIYSA-N 0 3 357.407 1.615 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912461001 859764799 /nfs/dbraw/zinc/76/47/99/859764799.db2.gz GVFSZFHKNKEMAR-UHFFFAOYSA-N 0 3 374.800 1.479 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249490454 860920422 /nfs/dbraw/zinc/92/04/22/860920422.db2.gz FAJDTHKEJKJFTD-KGLIPLIRSA-N 0 3 364.446 1.619 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000762721212 876466785 /nfs/dbraw/zinc/46/67/85/876466785.db2.gz IPUMMGXJBVPZMC-SFHVURJKSA-N 0 3 362.430 1.382 20 5 FDBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000272711818 880267074 /nfs/dbraw/zinc/26/70/74/880267074.db2.gz XYGLGPQVZOBSAR-QGZVFWFLSA-N 0 3 373.413 1.753 20 5 FDBDHN CN1CCN(c2ccncc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000919860734 886296750 /nfs/dbraw/zinc/29/67/50/886296750.db2.gz GJKVKVSIMZWPKH-UHFFFAOYSA-N 0 3 356.386 1.576 20 5 FDBDHN CC(C)[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001213267883 886455490 /nfs/dbraw/zinc/45/54/90/886455490.db2.gz UCTFSWSSJPVTRX-UHFFFAOYSA-N 0 3 356.448 1.779 20 5 FDBDHN O=C(CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC001002788216 893956412 /nfs/dbraw/zinc/95/64/12/893956412.db2.gz OMZJSNZYYUYJOW-HZPDHXFCSA-N 0 3 366.462 1.025 20 5 FDBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCCC1 ZINC000731457259 918114650 /nfs/dbraw/zinc/11/46/50/918114650.db2.gz MEDDTXWVAYFFEO-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN CCN(C[C@@H]1CCOC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738080587 925089445 /nfs/dbraw/zinc/08/94/45/925089445.db2.gz HEGGZLYAQNDRCY-ZDUSSCGKSA-N 0 3 362.386 1.679 20 5 FDBDHN CCN(C[C@H]1CCOC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738080586 925090185 /nfs/dbraw/zinc/09/01/85/925090185.db2.gz HEGGZLYAQNDRCY-CYBMUJFWSA-N 0 3 362.386 1.679 20 5 FDBDHN Nc1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000743766472 926463937 /nfs/dbraw/zinc/46/39/37/926463937.db2.gz YGHUXLZTYWQKSP-IBGZPJMESA-N 0 3 370.409 1.544 20 5 FDBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCCN1CCCCC1 ZINC000770358394 929971394 /nfs/dbraw/zinc/97/13/94/929971394.db2.gz JKBSEXNJIKNREQ-UHFFFAOYSA-N 0 3 364.402 1.423 20 5 FDBDHN O=C(OCCN1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000770371844 929976900 /nfs/dbraw/zinc/97/69/00/929976900.db2.gz CGYBNFHFOCRXDW-ZDUSSCGKSA-N 0 3 365.386 1.822 20 5 FDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000771495921 930698260 /nfs/dbraw/zinc/69/82/60/930698260.db2.gz WSGCGTMTQCXADA-ZDUSSCGKSA-N 0 3 365.434 1.815 20 5 FDBDHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1F ZINC000822879053 945281456 /nfs/dbraw/zinc/28/14/56/945281456.db2.gz PJLPELIZRHHISX-WDEREUQCSA-N 0 3 353.350 1.336 20 5 FDBDHN CCOC(=O)c1ccc(NC2=C(C(=O)OCC)CNCC2)c([N+](=O)[O-])c1 ZINC001170520879 940292233 /nfs/dbraw/zinc/29/22/33/940292233.db2.gz NDLPCGSDPYYWSA-UHFFFAOYSA-N 0 3 363.370 1.994 20 5 FDBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813102523 941326081 /nfs/dbraw/zinc/32/60/81/941326081.db2.gz HOSHFQDTKAEXIR-LBPRGKRZSA-N 0 3 372.443 1.861 20 5 FDBDHN CC(COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)[N+](=O)[O-] ZINC000813109700 941334809 /nfs/dbraw/zinc/33/48/09/941334809.db2.gz NYOTYVXDSHTJCK-SNVBAGLBSA-N 0 3 350.352 1.557 20 5 FDBDHN CSC[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000813110641 941335251 /nfs/dbraw/zinc/33/52/51/941335251.db2.gz GEJSGYVVBCPNIC-NNYUYHANSA-N 0 3 358.416 1.102 20 5 FDBDHN CC(COC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110371 941335269 /nfs/dbraw/zinc/33/52/69/941335269.db2.gz YYYIYGJSGJGTJW-CZUORRHYSA-N 0 3 357.366 1.631 20 5 FDBDHN CCn1c(=O)[nH]c(=O)c2c(C(=O)OCC(C)[N+](=O)[O-])cc(C3CC3)nc21 ZINC000813112490 941335754 /nfs/dbraw/zinc/33/57/54/941335754.db2.gz QRFXYADPBVQQFC-QMMMGPOBSA-N 0 3 362.342 1.216 20 5 FDBDHN CN(C)C1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000819212162 943488378 /nfs/dbraw/zinc/48/83/78/943488378.db2.gz NSKVDSPJNJWVDJ-UHFFFAOYSA-N 0 3 360.414 1.364 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000819717928 943704417 /nfs/dbraw/zinc/70/44/17/943704417.db2.gz ALBOQEGIUKHPND-MEDUHNTESA-N 0 3 350.394 1.966 20 5 FDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819843492 943752546 /nfs/dbraw/zinc/75/25/46/943752546.db2.gz NKZCZIYODMNXAV-AWEZNQCLSA-N 0 3 362.430 1.382 20 5 FDBDHN CC(=O)N1C[C@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000821332205 944423475 /nfs/dbraw/zinc/42/34/75/944423475.db2.gz KXNWJGGMHLBMKR-VBQJREDUSA-N 0 3 358.398 1.110 20 5 FDBDHN CC[C@@H]1CN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)C[C@H](C)N1 ZINC000856409446 971128312 /nfs/dbraw/zinc/12/83/12/971128312.db2.gz RISJNCBTYJMVBR-WCQYABFASA-N 0 3 365.386 1.394 20 5 FDBDHN CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)ccn1 ZINC000856625167 971266017 /nfs/dbraw/zinc/26/60/17/971266017.db2.gz DFYYMXQLBXMAST-AWEZNQCLSA-N 0 3 374.401 1.458 20 5 FDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000843856774 947341188 /nfs/dbraw/zinc/34/11/88/947341188.db2.gz PXHIVTSLJQIWLF-LBPRGKRZSA-N 0 3 352.410 1.798 20 5 FDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844032101 947623127 /nfs/dbraw/zinc/62/31/27/947623127.db2.gz ALNWRNYBQKAIHH-FZDNWWAKSA-N 0 3 360.414 1.577 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000844149480 947806152 /nfs/dbraw/zinc/80/61/52/947806152.db2.gz PZRBCRXHHSLNRE-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN COCCn1cc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000282773627 952859024 /nfs/dbraw/zinc/85/90/24/952859024.db2.gz PBEUSFYTSGPLOC-CYBMUJFWSA-N 0 3 361.402 1.945 20 5 FDBDHN CN(C(=O)c1ccn2cncc2c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954107420 1013284900 /nfs/dbraw/zinc/28/49/00/1013284900.db2.gz KTEWYERIURPFBF-HZPDHXFCSA-N 0 3 371.397 1.063 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCO[C@@H](CN(C)C)C2)c1F ZINC001173182783 961955478 /nfs/dbraw/zinc/95/54/78/961955478.db2.gz UGNDORLJRJYLTM-OLZOCXBDSA-N 0 3 355.410 1.936 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCS(=O)(=O)N(C)C)c1F ZINC001173190174 961958564 /nfs/dbraw/zinc/95/85/64/961958564.db2.gz VBKKTLJCJAOCAV-JTQLQIEISA-N 0 3 363.411 1.155 20 5 FDBDHN NCc1cn(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC001173689736 962582148 /nfs/dbraw/zinc/58/21/48/962582148.db2.gz JACIHGZCKWPFOP-UHFFFAOYSA-N 0 3 365.415 1.276 20 5 FDBDHN O=c1[nH]ccn2c(CN[C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001183866300 963339608 /nfs/dbraw/zinc/33/96/08/963339608.db2.gz ZIYXONKIOGUBBE-GXTWGEPZSA-N 0 3 368.397 1.827 20 5 FDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCNCc1cnon1)CC1CCCC1 ZINC001177314043 963756038 /nfs/dbraw/zinc/75/60/38/963756038.db2.gz YEEPSIXYENYIHO-HUUCEWRRSA-N 0 3 351.407 1.233 20 5 FDBDHN COCCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575991 967084555 /nfs/dbraw/zinc/08/45/55/967084555.db2.gz YQCIUOHUKPMGHS-MRXNPFEDSA-N 0 3 351.403 1.103 20 5 FDBDHN O=C([C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000776574659 967132686 /nfs/dbraw/zinc/13/26/86/967132686.db2.gz KIESLCMRIUFRSX-WBVHZDCISA-N 0 3 363.414 1.199 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581393 967184973 /nfs/dbraw/zinc/18/49/73/967184973.db2.gz IOQIMBBAWSAFDU-QGZVFWFLSA-N 0 3 364.446 1.114 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000852569743 967431201 /nfs/dbraw/zinc/43/12/01/967431201.db2.gz IKKPFHCPMVIHAQ-UHFFFAOYSA-N 0 3 352.391 1.862 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000852570790 967433384 /nfs/dbraw/zinc/43/33/84/967433384.db2.gz VBEWUQSGHJVABA-UHFFFAOYSA-N 0 3 352.391 1.862 20 5 FDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854644104 969049677 /nfs/dbraw/zinc/04/96/77/969049677.db2.gz FGIVXLCURVULHD-PTNGSMBKSA-N 0 3 358.442 1.704 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000855528088 970467621 /nfs/dbraw/zinc/46/76/21/970467621.db2.gz XHLAALPQNQTTOK-UHFFFAOYSA-N 0 3 370.413 1.609 20 5 FDBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 ZINC000863374047 972856718 /nfs/dbraw/zinc/85/67/18/972856718.db2.gz IUNXMYRAEBYVQK-UHFFFAOYSA-N 0 3 358.402 1.229 20 5 FDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000863585134 973034417 /nfs/dbraw/zinc/03/44/17/973034417.db2.gz RGYUFQVDGMOUQP-OALUTQOASA-N 0 3 372.425 1.514 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104531825 973245515 /nfs/dbraw/zinc/24/55/15/973245515.db2.gz QGZPAIRAHROVOR-HNNXBMFYSA-N 0 3 366.374 1.686 20 5 FDBDHN C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCN1CC(C)(C)O ZINC000794642137 973473923 /nfs/dbraw/zinc/47/39/23/973473923.db2.gz JRGDKUAUIDGOBA-GFCCVEGCSA-N 0 3 364.402 1.237 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CCN1 ZINC000865861700 974536126 /nfs/dbraw/zinc/53/61/26/974536126.db2.gz YKTRKNDGRPZFKA-ZDUSSCGKSA-N 0 3 366.393 1.017 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850682083 978604017 /nfs/dbraw/zinc/60/40/17/978604017.db2.gz GARUCURZPGUNIY-SNVBAGLBSA-N 0 3 354.794 1.787 20 5 FDBDHN Cc1c(CN)c(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)nn1C ZINC000857770129 981680193 /nfs/dbraw/zinc/68/01/93/981680193.db2.gz WBAVYRSKGCVJJI-UHFFFAOYSA-N 0 3 355.301 1.706 20 5 FDBDHN Cc1c(CN)c(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)nn1C ZINC000857769390 981680284 /nfs/dbraw/zinc/68/02/84/981680284.db2.gz KQUHWULTPLCXJN-UHFFFAOYSA-N 0 3 355.301 1.706 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000360488792 988053984 /nfs/dbraw/zinc/05/39/84/988053984.db2.gz LKHUWSBUFBTALQ-UHFFFAOYSA-N 0 3 371.393 1.661 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000299358604 988363659 /nfs/dbraw/zinc/36/36/59/988363659.db2.gz QSMMJSPXZPPRLP-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363207102 988993579 /nfs/dbraw/zinc/99/35/79/988993579.db2.gz XHQMWKIKBAZZGF-QWHCGFSZSA-N 0 3 364.358 1.404 20 5 FDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000364144123 989501370 /nfs/dbraw/zinc/50/13/70/989501370.db2.gz VGVGJISFHKSROQ-UHFFFAOYSA-N 0 3 356.338 1.659 20 5 FDBDHN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000372363908 991042601 /nfs/dbraw/zinc/04/26/01/991042601.db2.gz CRQZXOXFDYHNGN-CZUORRHYSA-N 0 3 364.421 1.832 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372368752 991047675 /nfs/dbraw/zinc/04/76/75/991047675.db2.gz WGZDJACFPIDJPT-CXAGYDPISA-N 0 3 361.446 1.396 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000876473398 992639471 /nfs/dbraw/zinc/63/94/71/992639471.db2.gz UKKUDVPDLYAKAV-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN CCc1ccc(C(=O)N2CCOC[C@@]2(COC)CN(C)C)cc1[N+](=O)[O-] ZINC000876473698 992642210 /nfs/dbraw/zinc/64/22/10/992642210.db2.gz RTRXRYAWGPZPRU-SFHVURJKSA-N 0 3 365.430 1.576 20 5 FDBDHN C[C@](CO)(NC[C@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000879272642 994725890 /nfs/dbraw/zinc/72/58/90/994725890.db2.gz PENUTYAINVYFKB-IAGOWNOFSA-N 0 3 350.415 1.978 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000880132063 995663869 /nfs/dbraw/zinc/66/38/69/995663869.db2.gz NAUCIWRPEPIHRZ-CHWSQXEVSA-N 0 3 362.386 1.431 20 5 FDBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889738742 998557928 /nfs/dbraw/zinc/55/79/28/998557928.db2.gz BNPLOPRBSVUJME-BDXSIMOUSA-N 0 3 359.426 1.756 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889751300 998592865 /nfs/dbraw/zinc/59/28/65/998592865.db2.gz SNEILBXYKIFLPO-CABCVRRESA-N 0 3 351.378 1.334 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000826686300 998867661 /nfs/dbraw/zinc/86/76/61/998867661.db2.gz SWLPQHBRGCLELP-SNVBAGLBSA-N 0 3 371.235 1.914 20 5 FDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000270846293 999624288 /nfs/dbraw/zinc/62/42/88/999624288.db2.gz LHYVFKHQWBUIOH-CABCVRRESA-N 0 3 359.382 1.801 20 5 FDBDHN Cc1c(NC(=O)CCN2CC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000270883675 999628707 /nfs/dbraw/zinc/62/87/07/999628707.db2.gz KKGOYTVRWBVKNN-CQSZACIVSA-N 0 3 360.414 1.929 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](N2CCCC2=O)C1 ZINC000270983793 999644932 /nfs/dbraw/zinc/64/49/32/999644932.db2.gz XNRVLHCFSNMEOI-HNNXBMFYSA-N 0 3 360.414 1.929 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000931893919 1004583867 /nfs/dbraw/zinc/58/38/67/1004583867.db2.gz MGIDZWGIQHBKAJ-UHFFFAOYSA-N 0 3 359.430 1.999 20 5 FDBDHN CN(C(=O)c1cccc2c[nH]nc21)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954125753 1005985248 /nfs/dbraw/zinc/98/52/48/1005985248.db2.gz BGVRXMNQYSTWDC-HUUCEWRRSA-N 0 3 371.397 1.291 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000935914762 1006126319 /nfs/dbraw/zinc/12/63/19/1006126319.db2.gz LDBUNGQCKUPWLL-OAHLLOKOSA-N 0 3 353.394 1.630 20 5 FDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000935914760 1006126494 /nfs/dbraw/zinc/12/64/94/1006126494.db2.gz LDBUNGQCKUPWLL-HNNXBMFYSA-N 0 3 353.394 1.630 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000195103368 1011555625 /nfs/dbraw/zinc/55/56/25/1011555625.db2.gz KRCSFAKDWFSIIQ-UHFFFAOYSA-N 0 3 366.374 1.652 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000507494771 538918095 /nfs/dbraw/zinc/91/80/95/538918095.db2.gz KQKNWZGAOTXQLI-CHWSQXEVSA-N 0 3 357.432 1.278 20 5 FDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000245896081 178387135 /nfs/dbraw/zinc/38/71/35/178387135.db2.gz KJJJRFWLGOHAGK-UKRRQHHQSA-N 0 3 355.460 1.739 20 5 FDBDHN Cc1c(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000518811352 539448736 /nfs/dbraw/zinc/44/87/36/539448736.db2.gz PBZHADDFDGIJHM-UHFFFAOYSA-N 0 3 362.430 1.576 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518942192 539459253 /nfs/dbraw/zinc/45/92/53/539459253.db2.gz ZXTQRABYSDNMOV-QWHCGFSZSA-N 0 3 364.402 1.250 20 5 FDBDHN O=C1CCCN1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264229304 179055490 /nfs/dbraw/zinc/05/54/90/179055490.db2.gz YEEOTPGKMMPXKR-MRXNPFEDSA-N 0 3 363.414 1.421 20 5 FDBDHN O=C1C[C@H](N2CC[C@H](N3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000264633734 179153988 /nfs/dbraw/zinc/15/39/88/179153988.db2.gz UPASXOFCMLFVNG-IRXDYDNUSA-N 0 3 372.425 1.787 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264900612 179233796 /nfs/dbraw/zinc/23/37/96/179233796.db2.gz LIAMXCLYJZXUAH-UHFFFAOYSA-N 0 3 366.393 1.264 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OCCO)C1 ZINC000265167805 179303678 /nfs/dbraw/zinc/30/36/78/179303678.db2.gz ANDOMEZPIKUQAH-CQSZACIVSA-N 0 3 367.402 1.405 20 5 FDBDHN COCCOC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265337235 179344812 /nfs/dbraw/zinc/34/48/12/179344812.db2.gz OKDDMLJVJXLZJU-HNNXBMFYSA-N 0 3 354.403 1.462 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000268217210 180027700 /nfs/dbraw/zinc/02/77/00/180027700.db2.gz PSQAOWLHPZWSMC-BXUZGUMPSA-N 0 3 356.386 1.388 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000268912771 180178161 /nfs/dbraw/zinc/17/81/61/180178161.db2.gz IDTTXEMDRMELHZ-MRXNPFEDSA-N 0 3 360.414 1.282 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000530476231 539980274 /nfs/dbraw/zinc/98/02/74/539980274.db2.gz ZMLWYJJLFWBLHH-OAHLLOKOSA-N 0 3 350.467 1.724 20 5 FDBDHN COCCOCCOCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000274414840 181088348 /nfs/dbraw/zinc/08/83/48/181088348.db2.gz PGCOMZWTBJCKIB-UHFFFAOYSA-N 0 3 358.391 1.468 20 5 FDBDHN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397764 540159445 /nfs/dbraw/zinc/15/94/45/540159445.db2.gz MLLDFMMDTIFGRO-UHFFFAOYSA-N 0 3 354.322 1.891 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000533202842 540215351 /nfs/dbraw/zinc/21/53/51/540215351.db2.gz PKCYXVNSGXQMSE-SWLSCSKDSA-N 0 3 361.398 1.922 20 5 FDBDHN COCCO[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000534130152 540327701 /nfs/dbraw/zinc/32/77/01/540327701.db2.gz QNPXRUKWHOPIDI-NVXWUHKLSA-N 0 3 354.403 1.462 20 5 FDBDHN CN1CCN(C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000535008648 540438098 /nfs/dbraw/zinc/43/80/98/540438098.db2.gz PEPMOHVMBODLNT-CQSZACIVSA-N 0 3 358.402 1.036 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000536434775 540593931 /nfs/dbraw/zinc/59/39/31/540593931.db2.gz VQLNBPSDCWNWRT-GOEBONIOSA-N 0 3 358.398 1.536 20 5 FDBDHN CN(C)CCOCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000538653994 540875799 /nfs/dbraw/zinc/87/57/99/540875799.db2.gz XPVKIPFFWQXVRO-UHFFFAOYSA-N 0 3 367.449 1.849 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000542136553 541345736 /nfs/dbraw/zinc/34/57/36/541345736.db2.gz MHOULEJLFBRSRS-ZNEHSRBWSA-N 0 3 360.414 1.911 20 5 FDBDHN CN(C)CCO[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000543050475 541525604 /nfs/dbraw/zinc/52/56/04/541525604.db2.gz FUNZKODXVXMERD-JTQLQIEISA-N 0 3 363.461 1.217 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282785480 182056293 /nfs/dbraw/zinc/05/62/93/182056293.db2.gz NBVRPDLRIQFALH-OAHLLOKOSA-N 0 3 358.398 1.275 20 5 FDBDHN CCN(CC)CCNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000283012427 182089974 /nfs/dbraw/zinc/08/99/74/182089974.db2.gz AJROQVNZTHPTBE-UHFFFAOYSA-N 0 3 364.446 1.492 20 5 FDBDHN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000283733613 182262303 /nfs/dbraw/zinc/26/23/03/182262303.db2.gz FWWYBVHMNNIKJZ-LLVKDONJSA-N 0 3 367.427 1.379 20 5 FDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000284186327 182393235 /nfs/dbraw/zinc/39/32/35/182393235.db2.gz YPHDQNMRWAUVJD-UHFFFAOYSA-N 0 3 366.393 1.691 20 5 FDBDHN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000295072717 184031451 /nfs/dbraw/zinc/03/14/51/184031451.db2.gz UXTOQTPFLVIHPY-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296939901 184217403 /nfs/dbraw/zinc/21/74/03/184217403.db2.gz NENFWOBMFKHYKE-FZMZJTMJSA-N 0 3 366.393 1.779 20 5 FDBDHN CN1CCC[C@H](N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1=O ZINC000547831946 542459567 /nfs/dbraw/zinc/45/95/67/542459567.db2.gz ZZQVUIMBSWSUSX-INIZCTEOSA-N 0 3 372.429 1.604 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000548011155 542521053 /nfs/dbraw/zinc/52/10/53/542521053.db2.gz XYMURFMRZCRJNE-UKRRQHHQSA-N 0 3 360.418 1.175 20 5 FDBDHN CN(C)CCN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000170841876 258265480 /nfs/dbraw/zinc/26/54/80/258265480.db2.gz SHOAZBQDZZPQFS-UHFFFAOYSA-N 0 3 352.460 1.393 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093820966 172321231 /nfs/dbraw/zinc/32/12/31/172321231.db2.gz WQPLBJXKBQKEKN-WEBJUUICSA-N 0 3 358.442 1.846 20 5 FDBDHN Cc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000103123461 172360034 /nfs/dbraw/zinc/36/00/34/172360034.db2.gz BDQQHXKPAUMCST-UHFFFAOYSA-N 0 3 360.414 1.283 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000126827321 173055654 /nfs/dbraw/zinc/05/56/54/173055654.db2.gz BPOXSOPQUCAVPV-YOEHRIQHSA-N 0 3 372.429 1.611 20 5 FDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000127363730 173073933 /nfs/dbraw/zinc/07/39/33/173073933.db2.gz SYHXZEPADKXHJW-UHFFFAOYSA-N 0 3 358.398 1.984 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000130627904 173176042 /nfs/dbraw/zinc/17/60/42/173176042.db2.gz VLPAWJISDUDOHL-UHFFFAOYSA-N 0 3 372.429 1.755 20 5 FDBDHN Cc1ccc(NCCCNC(=O)C[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000133040704 173251779 /nfs/dbraw/zinc/25/17/79/173251779.db2.gz OGCLRUNDFKAVLK-CYBMUJFWSA-N 0 3 352.460 1.917 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000133689779 173272097 /nfs/dbraw/zinc/27/20/97/173272097.db2.gz FVBQVPZGAMVIDW-INIZCTEOSA-N 0 3 372.429 1.755 20 5 FDBDHN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@H](N2CCCC2)C1 ZINC000181348438 174219500 /nfs/dbraw/zinc/21/95/00/174219500.db2.gz FLHLJMDTDTYSPL-HNNXBMFYSA-N 0 3 374.441 1.742 20 5 FDBDHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178828447 258336737 /nfs/dbraw/zinc/33/67/37/258336737.db2.gz UZYQHUZTANRNNO-HNNXBMFYSA-N 0 3 374.441 1.138 20 5 FDBDHN CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000273445449 258451196 /nfs/dbraw/zinc/45/11/96/258451196.db2.gz BRPQXSCUDAUNLK-KGLIPLIRSA-N 0 3 353.448 1.220 20 5 FDBDHN CN(C(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)c1ccccc1 ZINC000281202525 258647114 /nfs/dbraw/zinc/64/71/14/258647114.db2.gz RZXPHKROZAQKAZ-OAHLLOKOSA-N 0 3 370.409 1.741 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000558033524 544375987 /nfs/dbraw/zinc/37/59/87/544375987.db2.gz QBDXDJNWIAUSSX-GUYCJALGSA-N 0 3 364.450 1.381 20 5 FDBDHN CCc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)N(C)C)cc1 ZINC000299529705 259004241 /nfs/dbraw/zinc/00/42/41/259004241.db2.gz RFXTXSZQWVVIDX-QGZVFWFLSA-N 0 3 372.425 1.738 20 5 FDBDHN CNS(=O)(=O)c1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301076819 259020747 /nfs/dbraw/zinc/02/07/47/259020747.db2.gz HOHPLBVLRNUEDX-UHFFFAOYSA-N 0 3 356.448 1.791 20 5 FDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[C@H](O)CN3Cc3ccccc3)nn21 ZINC000301924977 259036252 /nfs/dbraw/zinc/03/62/52/259036252.db2.gz GRCURFUQKZKDKV-CABCVRRESA-N 0 3 368.397 1.685 20 5 FDBDHN CCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330454888 259145511 /nfs/dbraw/zinc/14/55/11/259145511.db2.gz NLFASMNFDVHTOI-NEPJUHHUSA-N 0 3 359.452 1.162 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000330821060 259164445 /nfs/dbraw/zinc/16/44/45/259164445.db2.gz OXQONKKUZQJOPU-QWHCGFSZSA-N 0 3 352.439 1.380 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363485210 259602589 /nfs/dbraw/zinc/60/25/89/259602589.db2.gz MBOZWLLUSNZWNR-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368709722 260224670 /nfs/dbraw/zinc/22/46/70/260224670.db2.gz KRBMLDKLONRUCL-UHFFFAOYSA-N 0 3 364.446 1.626 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000368891914 260255550 /nfs/dbraw/zinc/25/55/50/260255550.db2.gz KSVKWDRQRPBKRJ-LLVKDONJSA-N 0 3 352.416 1.211 20 5 FDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000369266148 260325857 /nfs/dbraw/zinc/32/58/57/260325857.db2.gz ALFLMZFTLWCVOE-UHFFFAOYSA-N 0 3 365.430 1.133 20 5 FDBDHN C[C@H](CO)N1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372740212 260922996 /nfs/dbraw/zinc/92/29/96/260922996.db2.gz LZOGGCKJTBOAMV-KGLIPLIRSA-N 0 3 350.419 1.310 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000373881550 261049602 /nfs/dbraw/zinc/04/96/02/261049602.db2.gz KZHWRKSINDDFMW-OAHLLOKOSA-N 0 3 360.414 1.458 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374546454 261151107 /nfs/dbraw/zinc/15/11/07/261151107.db2.gz VEXNMVBRGBCUQK-GFCCVEGCSA-N 0 3 374.401 1.930 20 5 FDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000374606398 261161214 /nfs/dbraw/zinc/16/12/14/261161214.db2.gz VJSRMKCPVJRRNM-SJORKVTESA-N 0 3 362.430 1.642 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375038514 261254059 /nfs/dbraw/zinc/25/40/59/261254059.db2.gz LJUUDOGFKGDHPL-QMTHXVAHSA-N 0 3 364.358 1.820 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375354786 261321558 /nfs/dbraw/zinc/32/15/58/261321558.db2.gz NWIOJCOQRGRLSV-CJNGLKHVSA-N 0 3 366.805 1.834 20 5 FDBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000375475076 261347290 /nfs/dbraw/zinc/34/72/90/261347290.db2.gz UXILKJDISNABGW-HZPDHXFCSA-N 0 3 362.430 1.427 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000378411546 262020415 /nfs/dbraw/zinc/02/04/15/262020415.db2.gz MNVYMNDVUFOMCI-CYBMUJFWSA-N 0 3 354.432 1.044 20 5 FDBDHN O=C(c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000408125267 262086217 /nfs/dbraw/zinc/08/62/17/262086217.db2.gz XGTTVDLUKKFUGP-OAHLLOKOSA-N 0 3 360.414 1.352 20 5 FDBDHN CN1CC[C@@H]2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145158 262087426 /nfs/dbraw/zinc/08/74/26/262087426.db2.gz FZDNYYIUDIQYRO-RDTXWAMCSA-N 0 3 374.441 1.598 20 5 FDBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(c2ccncc2)CC1 ZINC000024086850 518976547 /nfs/dbraw/zinc/97/65/47/518976547.db2.gz STXKCDPUIGHFOM-UHFFFAOYSA-N 0 3 370.365 1.723 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C(C)C)CC1 ZINC000069084120 521797279 /nfs/dbraw/zinc/79/72/79/521797279.db2.gz NGADACVYGTVEIG-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN COCCCN1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069485462 521889401 /nfs/dbraw/zinc/88/94/01/521889401.db2.gz MOQFFYILKAGEHU-UHFFFAOYSA-N 0 3 365.430 1.763 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000046036527 522210836 /nfs/dbraw/zinc/21/08/36/522210836.db2.gz FJQUWNQDBWBRSK-QWHCGFSZSA-N 0 3 355.416 1.509 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC(C)CC1 ZINC000046956482 522403006 /nfs/dbraw/zinc/40/30/06/522403006.db2.gz DFKJDLDOJLIGRB-AWEZNQCLSA-N 0 3 362.430 1.561 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066223708 522991536 /nfs/dbraw/zinc/99/15/36/522991536.db2.gz BSCOVZAGPZERFC-LBPRGKRZSA-N 0 3 366.805 1.883 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000076408266 523103162 /nfs/dbraw/zinc/10/31/62/523103162.db2.gz DIUVTRFEONUMSE-QWHCGFSZSA-N 0 3 355.416 1.509 20 5 FDBDHN CC(C)N1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068800742 523863190 /nfs/dbraw/zinc/86/31/90/523863190.db2.gz UXRXCQGWPLORQU-CQSZACIVSA-N 0 3 362.430 1.656 20 5 FDBDHN CS(=O)(=O)NC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055902734 523874407 /nfs/dbraw/zinc/87/44/07/523874407.db2.gz AVQCAIYXEJFMOL-AWEZNQCLSA-N 0 3 371.459 1.625 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000110854764 524145905 /nfs/dbraw/zinc/14/59/05/524145905.db2.gz SQVPERMYWOQSTG-ZFWWWQNUSA-N 0 3 352.387 1.419 20 5 FDBDHN CN1CCC[C@H](N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000083174416 524242128 /nfs/dbraw/zinc/24/21/28/524242128.db2.gz KXBKRGUYLWYFGU-HNNXBMFYSA-N 0 3 359.430 1.948 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000112362259 524470357 /nfs/dbraw/zinc/47/03/57/524470357.db2.gz QZDCIDBMMKXQML-UHFFFAOYSA-N 0 3 372.491 1.271 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCS1(=O)=O ZINC000090466378 524596646 /nfs/dbraw/zinc/59/66/46/524596646.db2.gz KFYAKFNRWLLXQS-FZMZJTMJSA-N 0 3 355.416 1.479 20 5 FDBDHN CCc1nn(C)c(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000091744789 524771027 /nfs/dbraw/zinc/77/10/27/524771027.db2.gz VEXBAHAOJVNHQB-CQSZACIVSA-N 0 3 351.451 1.972 20 5 FDBDHN CNC(=O)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174999793 524827582 /nfs/dbraw/zinc/82/75/82/524827582.db2.gz ZZQSBANYEWUZIR-HNNXBMFYSA-N 0 3 351.403 1.183 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C2CCCCC2)CC1 ZINC000161945798 525191102 /nfs/dbraw/zinc/19/11/02/525191102.db2.gz ZKSOOOASKKDHPM-UHFFFAOYSA-N 0 3 350.423 1.451 20 5 FDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000125913872 525251967 /nfs/dbraw/zinc/25/19/67/525251967.db2.gz BXAKUPQQGLVUJV-ZFWWWQNUSA-N 0 3 357.414 1.969 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408820 525256519 /nfs/dbraw/zinc/25/65/19/525256519.db2.gz IAEWAKUMPXBWOZ-INIZCTEOSA-N 0 3 362.430 1.212 20 5 FDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000163503664 525417395 /nfs/dbraw/zinc/41/73/95/525417395.db2.gz LYWPFCVLDVBEPL-HNNXBMFYSA-N 0 3 367.471 1.885 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000128456239 525545082 /nfs/dbraw/zinc/54/50/82/525545082.db2.gz ISUWPFWVIYQZQF-UHFFFAOYSA-N 0 3 369.381 1.586 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000179540635 525599848 /nfs/dbraw/zinc/59/98/48/525599848.db2.gz DUVRZMZFUWOLKL-UHFFFAOYSA-N 0 3 357.414 1.765 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000154680655 525608302 /nfs/dbraw/zinc/60/83/02/525608302.db2.gz FMKRFEGSVPUCSO-UHFFFAOYSA-N 0 3 374.441 1.802 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000171122284 525858557 /nfs/dbraw/zinc/85/85/57/525858557.db2.gz XOWYKEUKPWFERO-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN NC(=O)CC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181697409 525895646 /nfs/dbraw/zinc/89/56/46/525895646.db2.gz NSQZKOAWDRYGHN-KGLIPLIRSA-N 0 3 351.403 1.312 20 5 FDBDHN CN(C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000120238372 526003976 /nfs/dbraw/zinc/00/39/76/526003976.db2.gz WBVGHOQBRBKDDS-UHFFFAOYSA-N 0 3 362.430 1.657 20 5 FDBDHN C[C@@H]1CN(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CCO1 ZINC000171749595 526106788 /nfs/dbraw/zinc/10/67/88/526106788.db2.gz BTHHBVMEBZWKHM-CYBMUJFWSA-N 0 3 362.430 1.379 20 5 FDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183772188 536047810 /nfs/dbraw/zinc/04/78/10/536047810.db2.gz NTEKQOGZTNNJSR-HNNXBMFYSA-N 0 3 370.409 1.674 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000184070955 536090119 /nfs/dbraw/zinc/09/01/19/536090119.db2.gz UMJXSIBNPKCWKX-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN COc1cc(CN[C@@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184405544 536146846 /nfs/dbraw/zinc/14/68/46/536146846.db2.gz XXNNFXBPUZCQGA-ZDUSSCGKSA-N 0 3 355.366 1.503 20 5 FDBDHN O=C(CCN1CCC(Cn2cncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000186247507 536229987 /nfs/dbraw/zinc/22/99/87/536229987.db2.gz JNDUHXYMDCTAAI-UHFFFAOYSA-N 0 3 358.402 1.927 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000188083035 536282326 /nfs/dbraw/zinc/28/23/26/536282326.db2.gz BVHCTJOUDDTZBT-SFHVURJKSA-N 0 3 373.413 1.037 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246894199 537046656 /nfs/dbraw/zinc/04/66/56/537046656.db2.gz XJOVLWRUHNGDID-GDBMZVCRSA-N 0 3 361.402 1.338 20 5 FDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000263669172 537059408 /nfs/dbraw/zinc/05/94/08/537059408.db2.gz IJCSOEDDLPGMDF-MRXNPFEDSA-N 0 3 362.430 1.196 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000247247524 537100684 /nfs/dbraw/zinc/10/06/84/537100684.db2.gz DNUQOXKGFCEVRY-BLLLJJGKSA-N 0 3 358.402 1.588 20 5 FDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189943114 537118525 /nfs/dbraw/zinc/11/85/25/537118525.db2.gz HDLHUQXUAZTSAT-CQSZACIVSA-N 0 3 364.446 1.700 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000249124375 537230802 /nfs/dbraw/zinc/23/08/02/537230802.db2.gz CEDKUHOKZALEHA-GXFFZTMASA-N 0 3 368.821 1.985 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000193089098 537239838 /nfs/dbraw/zinc/23/98/38/537239838.db2.gz MGKAGYYKWPHICS-LLVKDONJSA-N 0 3 355.416 1.366 20 5 FDBDHN CN1CCN(CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272559491 537300281 /nfs/dbraw/zinc/30/02/81/537300281.db2.gz PLBFBQNQNACEFK-UHFFFAOYSA-N 0 3 356.373 1.440 20 5 FDBDHN CN(C)CCOc1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000290545552 537370464 /nfs/dbraw/zinc/37/04/64/537370464.db2.gz PQSSNKOMUORMFY-UHFFFAOYSA-N 0 3 359.386 1.641 20 5 FDBDHN COCCCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291352853 537563639 /nfs/dbraw/zinc/56/36/39/537563639.db2.gz AIKCRXARHZIPEG-UHFFFAOYSA-N 0 3 365.430 1.933 20 5 FDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1Cc1ccccc1 ZINC000284831805 537591212 /nfs/dbraw/zinc/59/12/12/537591212.db2.gz RTEMDQWEFWTFHN-SFHVURJKSA-N 0 3 356.426 1.615 20 5 FDBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(C)CC1 ZINC000291802556 537678829 /nfs/dbraw/zinc/67/88/29/537678829.db2.gz BNQZEQNTMMXCDZ-UHFFFAOYSA-N 0 3 350.419 1.750 20 5 FDBDHN COc1cc(OCC(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294351932 537686697 /nfs/dbraw/zinc/68/66/97/537686697.db2.gz YNSUMRBKFBBVOP-GOSISDBHSA-N 0 3 363.414 1.927 20 5 FDBDHN COCCN(C)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294421889 537693502 /nfs/dbraw/zinc/69/35/02/537693502.db2.gz JQBAPBMJGJNQDT-UHFFFAOYSA-N 0 3 351.403 1.642 20 5 FDBDHN O=C1NC(=O)C2(CCC(NCc3cc([N+](=O)[O-])ccc3Cl)CC2)N1 ZINC000285398937 537701863 /nfs/dbraw/zinc/70/18/63/537701863.db2.gz DYHVMCYMWYIYNA-UHFFFAOYSA-N 0 3 352.778 1.859 20 5 FDBDHN CS(=O)(=O)NCC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285443250 537712785 /nfs/dbraw/zinc/71/27/85/537712785.db2.gz LPMMXNXRLVJXNW-UHFFFAOYSA-N 0 3 371.459 1.625 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1OCCc2sccc21 ZINC000292418677 537734662 /nfs/dbraw/zinc/73/46/62/537734662.db2.gz MPHAPZNFFCNEPE-NVBFEUDRSA-N 0 3 352.416 1.506 20 5 FDBDHN CCS(=O)(=O)CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414547538 537828232 /nfs/dbraw/zinc/82/82/32/537828232.db2.gz VQECMFGUBMKTOG-UHFFFAOYSA-N 0 3 366.443 1.910 20 5 FDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCN2CCCOCC2)CC1 ZINC000376621218 537863122 /nfs/dbraw/zinc/86/31/22/537863122.db2.gz CHJAOPSFZULOAI-UHFFFAOYSA-N 0 3 362.430 1.075 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444234367 538135039 /nfs/dbraw/zinc/13/50/39/538135039.db2.gz DGCUNGDPVNYBKH-HXUWFJFHSA-N 0 3 371.412 1.863 20 5 FDBDHN Cn1cc([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2N)cn1 ZINC000424229896 538263618 /nfs/dbraw/zinc/26/36/18/538263618.db2.gz YISLTOOWGDOHSX-DZGCQCFKSA-N 0 3 363.805 1.478 20 5 FDBDHN COCC1(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000420973619 538370899 /nfs/dbraw/zinc/37/08/99/538370899.db2.gz MXEAISRYKQVFLX-UHFFFAOYSA-N 0 3 371.459 1.622 20 5 FDBDHN COC(=O)C1CCN(CCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447670296 538392542 /nfs/dbraw/zinc/39/25/42/538392542.db2.gz MNBAHIMQFARQMQ-UHFFFAOYSA-N 0 3 361.402 1.580 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000457966141 538535805 /nfs/dbraw/zinc/53/58/05/538535805.db2.gz URJSICIDJXRXQS-INIZCTEOSA-N 0 3 350.419 1.283 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)cc1SC ZINC000490088159 538847883 /nfs/dbraw/zinc/84/78/83/538847883.db2.gz KKXQBAIIBNXPOC-UHFFFAOYSA-N 0 3 362.411 1.984 20 5 FDBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)CC1 ZINC000476077951 538856329 /nfs/dbraw/zinc/85/63/29/538856329.db2.gz HTWVBXALHHVUNT-UHFFFAOYSA-N 0 3 372.429 1.718 20 5 FDBDHN Cc1c(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000561273726 545781609 /nfs/dbraw/zinc/78/16/09/545781609.db2.gz MUBQSVGLEVBYDL-CYBMUJFWSA-N 0 3 362.430 1.368 20 5 FDBDHN CC(C)CN1CCO[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000561750052 545942522 /nfs/dbraw/zinc/94/25/22/545942522.db2.gz OFZXBWWLOFOCDO-CVEARBPZSA-N 0 3 367.446 1.281 20 5 FDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccnc3ccccc32)c1 ZINC000563468927 546548147 /nfs/dbraw/zinc/54/81/47/546548147.db2.gz XBTHLEZRFKQIIT-UHFFFAOYSA-N 0 3 372.406 1.955 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000563893370 546726185 /nfs/dbraw/zinc/72/61/85/546726185.db2.gz ABWMFIZPIXYDPV-DOTOQJQBSA-N 0 3 363.414 1.468 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000563953651 546751331 /nfs/dbraw/zinc/75/13/31/546751331.db2.gz MVVJIKSDVJUJTK-AWEZNQCLSA-N 0 3 352.778 1.530 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000564019806 546776847 /nfs/dbraw/zinc/77/68/47/546776847.db2.gz OJMHXOGJDRBHAF-UHFFFAOYSA-N 0 3 362.430 1.462 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000564584221 546963447 /nfs/dbraw/zinc/96/34/47/546963447.db2.gz JCYCICQRCNNFRV-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]12CCNC2=O ZINC000565168259 547230617 /nfs/dbraw/zinc/23/06/17/547230617.db2.gz BRBNQUTWCYQQGS-QGZVFWFLSA-N 0 3 362.386 1.287 20 5 FDBDHN CN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000568131791 548408434 /nfs/dbraw/zinc/40/84/34/548408434.db2.gz STDNVQDMAKKYCL-UHFFFAOYSA-N 0 3 371.235 1.933 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000569162155 548818969 /nfs/dbraw/zinc/81/89/69/548818969.db2.gz PRFCRCZRJNWGJH-ZDUSSCGKSA-N 0 3 360.414 1.286 20 5 FDBDHN COC(=O)Cc1ccc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000569425912 548911476 /nfs/dbraw/zinc/91/14/76/548911476.db2.gz YENSPNPLAQASCP-UHFFFAOYSA-N 0 3 364.446 1.750 20 5 FDBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570395447 549264083 /nfs/dbraw/zinc/26/40/83/549264083.db2.gz LCPPTONCIKYQQP-SFYZADRCSA-N 0 3 366.237 1.761 20 5 FDBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2nnc[nH]2)c1 ZINC000573170155 550079508 /nfs/dbraw/zinc/07/95/08/550079508.db2.gz JWFPGMCBHCUSKK-UHFFFAOYSA-N 0 3 373.154 1.650 20 5 FDBDHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000576219838 550524232 /nfs/dbraw/zinc/52/42/32/550524232.db2.gz SXIKDYGXMOGWHW-UHFFFAOYSA-N 0 3 368.393 1.885 20 5 FDBDHN COc1ccc(CC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000576229685 550525913 /nfs/dbraw/zinc/52/59/13/550525913.db2.gz KSSSBEXNAWVKKV-CQSZACIVSA-N 0 3 351.403 1.109 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2CCN(C)CC2)n1 ZINC000576343498 550537701 /nfs/dbraw/zinc/53/77/01/550537701.db2.gz YOQZPDNSJIBROQ-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000576622487 550568887 /nfs/dbraw/zinc/56/88/87/550568887.db2.gz KKYLXMMBDZGCEF-STQMWFEESA-N 0 3 350.419 1.956 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000577435519 550656203 /nfs/dbraw/zinc/65/62/03/550656203.db2.gz KOWFVERNNLATFF-OAHLLOKOSA-N 0 3 360.414 1.216 20 5 FDBDHN CN1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000577707250 550685424 /nfs/dbraw/zinc/68/54/24/550685424.db2.gz YAHKQAJXJIUUOC-UHFFFAOYSA-N 0 3 368.459 1.183 20 5 FDBDHN CN(C)C(=O)[C@H]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000578350084 550755174 /nfs/dbraw/zinc/75/51/74/550755174.db2.gz DNRDBFQKFHJSQY-SWLSCSKDSA-N 0 3 364.402 1.149 20 5 FDBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000578422885 550761654 /nfs/dbraw/zinc/76/16/54/550761654.db2.gz IGEIGIYGIPXVRG-AWEZNQCLSA-N 0 3 362.386 1.393 20 5 FDBDHN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000579612724 550892267 /nfs/dbraw/zinc/89/22/67/550892267.db2.gz QPCIOYOQEHAEQF-LLVKDONJSA-N 0 3 368.409 1.194 20 5 FDBDHN CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000581088418 551050687 /nfs/dbraw/zinc/05/06/87/551050687.db2.gz CJZYGFLSHLXNJZ-KGLIPLIRSA-N 0 3 350.444 1.710 20 5 FDBDHN CC1CCC(O)(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582781698 551266629 /nfs/dbraw/zinc/26/66/29/551266629.db2.gz RLHHRHBXOVDDRE-UHFFFAOYSA-N 0 3 356.444 1.899 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000588777692 551686389 /nfs/dbraw/zinc/68/63/89/551686389.db2.gz VFKQZPRLAAVOFO-INIZCTEOSA-N 0 3 374.441 1.606 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588861087 551694623 /nfs/dbraw/zinc/69/46/23/551694623.db2.gz OEGBZSTYMZDRJE-IRXDYDNUSA-N 0 3 362.430 1.454 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589111227 551710619 /nfs/dbraw/zinc/71/06/19/551710619.db2.gz GZHBBCXEULXKIT-UHFFFAOYSA-N 0 3 355.826 1.634 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589614909 551738562 /nfs/dbraw/zinc/73/85/62/551738562.db2.gz WMELUVYQZHQEOS-BLLLJJGKSA-N 0 3 360.414 1.982 20 5 FDBDHN Cc1c(CNC(=O)C(=O)Nc2cccc3c2CCNC3)cccc1[N+](=O)[O-] ZINC000591286482 551856386 /nfs/dbraw/zinc/85/63/86/551856386.db2.gz IUIJELJPMXYCDU-UHFFFAOYSA-N 0 3 368.393 1.804 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310797 551860453 /nfs/dbraw/zinc/86/04/53/551860453.db2.gz LDNRQZSRCOBPBI-UHFFFAOYSA-N 0 3 357.370 1.966 20 5 FDBDHN O=C(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000591577196 551881037 /nfs/dbraw/zinc/88/10/37/551881037.db2.gz ZVGDJHXIHILBBM-LJQANCHMSA-N 0 3 354.410 1.706 20 5 FDBDHN CCCN1CCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591767423 551907343 /nfs/dbraw/zinc/90/73/43/551907343.db2.gz IQXGYHBKMLBCIZ-HNNXBMFYSA-N 0 3 355.460 1.833 20 5 FDBDHN CN1CCC2(CC1)CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000591927018 551917359 /nfs/dbraw/zinc/91/73/59/551917359.db2.gz PBACYUXLDJJBQD-UHFFFAOYSA-N 0 3 362.430 1.644 20 5 FDBDHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000592873662 552037592 /nfs/dbraw/zinc/03/75/92/552037592.db2.gz QEISQDLHSUJZJF-LBPRGKRZSA-N 0 3 364.402 1.104 20 5 FDBDHN Cc1nn(CCC(=O)N2CCOC3(CCN(C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000592898644 552040475 /nfs/dbraw/zinc/04/04/75/552040475.db2.gz LFXYVXVZFKGOGK-UHFFFAOYSA-N 0 3 365.434 1.121 20 5 FDBDHN CC(C)c1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593235777 552075328 /nfs/dbraw/zinc/07/53/28/552075328.db2.gz TVHGCCDKWGMKHY-UHFFFAOYSA-N 0 3 362.430 1.564 20 5 FDBDHN Nc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593495349 552117361 /nfs/dbraw/zinc/11/73/61/552117361.db2.gz DMMYEUCRTNEMHH-HZPDHXFCSA-N 0 3 370.413 1.447 20 5 FDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559792 552134130 /nfs/dbraw/zinc/13/41/30/552134130.db2.gz OBQUSTMEBGLUKX-FRRDWIJNSA-N 0 3 356.448 1.635 20 5 FDBDHN COC[C@H](CC(C)(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593591746 552146034 /nfs/dbraw/zinc/14/60/34/552146034.db2.gz MPXRFTDSWJOYIQ-ZDUSSCGKSA-N 0 3 373.475 1.914 20 5 FDBDHN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594202846 552264432 /nfs/dbraw/zinc/26/44/32/552264432.db2.gz SUDHQCVPAKIUOX-UONOGXRCSA-N 0 3 374.397 1.636 20 5 FDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594251503 552271199 /nfs/dbraw/zinc/27/11/99/552271199.db2.gz QEBLHZBPRPSXKC-UONOGXRCSA-N 0 3 368.821 1.251 20 5 FDBDHN Cc1c(C(=O)N[C@@H](CN)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000594452093 552313736 /nfs/dbraw/zinc/31/37/36/552313736.db2.gz XSYZADHIEFWKMI-JTQLQIEISA-N 0 3 358.280 1.103 20 5 FDBDHN C[C@H]1CC[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000594494156 552326033 /nfs/dbraw/zinc/32/60/33/552326033.db2.gz VOBOBPQMOINATF-RYUDHWBXSA-N 0 3 359.473 1.747 20 5 FDBDHN Cn1nnc2c1CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000594512960 552327083 /nfs/dbraw/zinc/32/70/83/552327083.db2.gz FZMOZIVGUOMQSD-JTQLQIEISA-N 0 3 353.329 1.972 20 5 FDBDHN CCOc1ccc([C@@H](C)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595077568 552445816 /nfs/dbraw/zinc/44/58/16/552445816.db2.gz JRGFAMOOBSDJLW-CXAGYDPISA-N 0 3 354.403 1.812 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1c1cccc(F)c1 ZINC000595109785 552453966 /nfs/dbraw/zinc/45/39/66/552453966.db2.gz QAKSIYHIBUJFPG-UONOGXRCSA-N 0 3 366.374 1.244 20 5 FDBDHN Cc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595384019 552544172 /nfs/dbraw/zinc/54/41/72/552544172.db2.gz HQAWUOKVNSVZKU-AWEZNQCLSA-N 0 3 369.443 1.123 20 5 FDBDHN CCCN1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595807556 552618405 /nfs/dbraw/zinc/61/84/05/552618405.db2.gz QCSFRVXSUSLNRE-CQSZACIVSA-N 0 3 362.434 1.306 20 5 FDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595897460 552630188 /nfs/dbraw/zinc/63/01/88/552630188.db2.gz BTLSCOYLBAMWJK-XLQHLMKVSA-N 0 3 373.409 1.661 20 5 FDBDHN COc1cc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596288504 552671092 /nfs/dbraw/zinc/67/10/92/552671092.db2.gz JTLDLFPBUAWAJH-JTQLQIEISA-N 0 3 356.810 1.813 20 5 FDBDHN Nc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)cc(CO)c1[N+](=O)[O-] ZINC000596423225 552677770 /nfs/dbraw/zinc/67/77/70/552677770.db2.gz KIKORJMQEQZXEZ-KRWDZBQOSA-N 0 3 372.425 1.848 20 5 FDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422140 552677892 /nfs/dbraw/zinc/67/78/92/552677892.db2.gz AWNBLMQYYTYEAJ-HNNXBMFYSA-N 0 3 371.397 1.267 20 5 FDBDHN CCOc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000597573845 552806612 /nfs/dbraw/zinc/80/66/12/552806612.db2.gz JPMBASFGKAUJCB-QGZVFWFLSA-N 0 3 351.403 1.522 20 5 FDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597714222 552825535 /nfs/dbraw/zinc/82/55/35/552825535.db2.gz HFDDEVMCJSMXNK-GOSISDBHSA-N 0 3 361.398 1.924 20 5 FDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)n1 ZINC000597988865 552852771 /nfs/dbraw/zinc/85/27/71/552852771.db2.gz AWLXSJJGGRXTMT-HNNXBMFYSA-N 0 3 373.413 1.308 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598188527 552874013 /nfs/dbraw/zinc/87/40/13/552874013.db2.gz UZNYLHNNJWBCAS-UHFFFAOYSA-N 0 3 370.837 1.269 20 5 FDBDHN CC[C@@H]1CCCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598597052 552913133 /nfs/dbraw/zinc/91/31/33/552913133.db2.gz UTILPYZGDNFMPO-CQSZACIVSA-N 0 3 364.450 1.898 20 5 FDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598597935 552913406 /nfs/dbraw/zinc/91/34/06/552913406.db2.gz XSWMYEAOMHXKGT-CYBMUJFWSA-N 0 3 353.444 1.974 20 5 FDBDHN COC(=O)c1ccnc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000598620750 552916671 /nfs/dbraw/zinc/91/66/71/552916671.db2.gz ZWAXTUISZXWQGB-OLZOCXBDSA-N 0 3 366.443 1.792 20 5 FDBDHN CN1CCC[C@@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598627552 552917935 /nfs/dbraw/zinc/91/79/35/552917935.db2.gz CJOWFXFEVVBTHJ-QGZVFWFLSA-N 0 3 362.434 1.144 20 5 FDBDHN COc1cc(CN[C@H]2C[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600191212 553228993 /nfs/dbraw/zinc/22/89/93/553228993.db2.gz VZYZLCGDUBMNDQ-CZMCAQCFSA-N 0 3 359.329 1.601 20 5 FDBDHN Cn1cc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600202306 553230480 /nfs/dbraw/zinc/23/04/80/553230480.db2.gz CLJXYWKZCNQSRV-KDURUIRLSA-N 0 3 374.441 1.808 20 5 FDBDHN CN1CCN(CCCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600963546 553331883 /nfs/dbraw/zinc/33/18/83/553331883.db2.gz XKPAGUVLMGBRPW-UHFFFAOYSA-N 0 3 360.458 1.770 20 5 FDBDHN CN1CCN(c2ccnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000601806002 553477615 /nfs/dbraw/zinc/47/76/15/553477615.db2.gz PHVOBJHDRONNSN-UHFFFAOYSA-N 0 3 355.398 1.923 20 5 FDBDHN CN(CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000602464197 553587085 /nfs/dbraw/zinc/58/70/85/553587085.db2.gz KYLFSEKXZVQPHT-UHFFFAOYSA-N 0 3 372.473 1.578 20 5 FDBDHN O=C1[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]2CCCCN12 ZINC000602689780 553622723 /nfs/dbraw/zinc/62/27/23/553622723.db2.gz YZVBXFHGWOJDRH-GDBMZVCRSA-N 0 3 359.430 1.702 20 5 FDBDHN COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000602840446 553648595 /nfs/dbraw/zinc/64/85/95/553648595.db2.gz HXMZLQZDULIDNH-HZPDHXFCSA-N 0 3 358.398 1.988 20 5 FDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602892565 553662346 /nfs/dbraw/zinc/66/23/46/553662346.db2.gz PVLCCZLNIDFBBQ-GFCCVEGCSA-N 0 3 362.352 1.715 20 5 FDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000604482430 553880525 /nfs/dbraw/zinc/88/05/25/553880525.db2.gz HTIBHCFVBSTYAF-UHFFFAOYSA-N 0 3 370.413 1.236 20 5 FDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609383495 554373430 /nfs/dbraw/zinc/37/34/30/554373430.db2.gz QPKFPDQNWBUCAL-HNNXBMFYSA-N 0 3 355.398 1.995 20 5 FDBDHN COC(=O)CN(C)C(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000609536539 554389539 /nfs/dbraw/zinc/38/95/39/554389539.db2.gz QDXLMNCBDSCXOD-UHFFFAOYSA-N 0 3 351.403 1.827 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(NC2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000610277821 554486070 /nfs/dbraw/zinc/48/60/70/554486070.db2.gz VJYVYUUCQYGHRQ-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000610654042 554544895 /nfs/dbraw/zinc/54/48/95/554544895.db2.gz DELBNFFWWRYJSM-RYUDHWBXSA-N 0 3 374.397 1.062 20 5 FDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000610770497 554560248 /nfs/dbraw/zinc/56/02/48/554560248.db2.gz ADJYDZHKLJBYJX-UHFFFAOYSA-N 0 3 357.370 1.534 20 5 FDBDHN C[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610869621 554572784 /nfs/dbraw/zinc/57/27/84/554572784.db2.gz GNDZOBKLJBXWFJ-GFCCVEGCSA-N 0 3 374.401 1.169 20 5 FDBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000611197585 554614490 /nfs/dbraw/zinc/61/44/90/554614490.db2.gz PQYNZUNYVFODRY-UHFFFAOYSA-N 0 3 359.386 1.835 20 5 FDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000614678869 555095878 /nfs/dbraw/zinc/09/58/78/555095878.db2.gz QGGBAMVIJPLSMZ-IBGZPJMESA-N 0 3 372.425 1.642 20 5 FDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615296694 555188572 /nfs/dbraw/zinc/18/85/72/555188572.db2.gz GXBKWPMDAHQZBK-GHMZBOCLSA-N 0 3 371.415 1.127 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000619476441 555783626 /nfs/dbraw/zinc/78/36/26/555783626.db2.gz RIFWUJCFUSJFNU-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000619486582 555786550 /nfs/dbraw/zinc/78/65/50/555786550.db2.gz GVUZCNQVZDIRNW-QWHCGFSZSA-N 0 3 371.459 1.954 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000619498778 555790044 /nfs/dbraw/zinc/79/00/44/555790044.db2.gz WITFXKSCPUIMKW-UHFFFAOYSA-N 0 3 357.432 1.708 20 5 FDBDHN CN(C)C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2O1 ZINC000366161983 567870485 /nfs/dbraw/zinc/87/04/85/567870485.db2.gz FRSOOVGYGREAOR-AWEZNQCLSA-N 0 3 372.381 1.112 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1C ZINC000291843696 568578161 /nfs/dbraw/zinc/57/81/61/568578161.db2.gz HCZYOOBTFCKNCR-MRXNPFEDSA-N 0 3 353.444 1.928 20 5 FDBDHN CC(C)[NH+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735882064 599266257 /nfs/dbraw/zinc/26/62/57/599266257.db2.gz NMILRNNHRGGRTK-UHFFFAOYSA-N 0 3 368.401 1.854 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272543629 674455671 /nfs/dbraw/zinc/45/56/71/674455671.db2.gz QGSDVHUJMBWHAN-LBPRGKRZSA-N 0 3 371.459 1.954 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272543626 674455796 /nfs/dbraw/zinc/45/57/96/674455796.db2.gz QGSDVHUJMBWHAN-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272478791 674449772 /nfs/dbraw/zinc/44/97/72/674449772.db2.gz UUFSIYRKOJUQTL-UHFFFAOYSA-N 0 3 351.359 1.164 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370164 599534190 /nfs/dbraw/zinc/53/41/90/599534190.db2.gz RFQYUTVHHRFZMM-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370164 599534193 /nfs/dbraw/zinc/53/41/93/599534193.db2.gz RFQYUTVHHRFZMM-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370164 599534196 /nfs/dbraw/zinc/53/41/96/599534196.db2.gz RFQYUTVHHRFZMM-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370164 599534199 /nfs/dbraw/zinc/53/41/99/599534199.db2.gz RFQYUTVHHRFZMM-UHFFFAOYSA-N 0 3 358.406 1.625 20 5 FDBDHN CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820117285 606187008 /nfs/dbraw/zinc/18/70/08/606187008.db2.gz ZCCOJNRCBHUOHR-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820117285 606187009 /nfs/dbraw/zinc/18/70/09/606187009.db2.gz ZCCOJNRCBHUOHR-UHFFFAOYSA-N 0 3 356.390 1.882 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000273422993 674535824 /nfs/dbraw/zinc/53/58/24/674535824.db2.gz ZDBNPQQHXVHATO-IVMMDQJWSA-N 0 3 354.428 1.541 20 5 FDBDHN C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1=CCN(C)CC1 ZINC000276176033 674717170 /nfs/dbraw/zinc/71/71/70/674717170.db2.gz SWCRFVNRMLGNNM-JTQLQIEISA-N 0 3 366.805 1.953 20 5 FDBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000286756332 675903766 /nfs/dbraw/zinc/90/37/66/675903766.db2.gz SAZZERYNEIFNHI-SNVBAGLBSA-N 0 3 351.432 1.881 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292148881 676286733 /nfs/dbraw/zinc/28/67/33/676286733.db2.gz ZVSYCDVNWLYHCJ-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361582331 676897066 /nfs/dbraw/zinc/89/70/66/676897066.db2.gz KSNLISYOAJMKLF-STQMWFEESA-N 0 3 350.375 1.588 20 5 FDBDHN COC(=O)[C@@]1(C)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412060929 679148498 /nfs/dbraw/zinc/14/84/98/679148498.db2.gz HECWUOPYDUSSOB-GUYCJALGSA-N 0 3 352.387 1.610 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420330309 680432520 /nfs/dbraw/zinc/43/25/20/680432520.db2.gz HTNIIGMBFAXOJS-MRXNPFEDSA-N 0 3 354.382 1.565 20 5 FDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775900 681047584 /nfs/dbraw/zinc/04/75/84/681047584.db2.gz RAANSXXRPPQLHS-NWDGAFQWSA-N 0 3 350.375 1.046 20 5 FDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489481050 687100847 /nfs/dbraw/zinc/10/08/47/687100847.db2.gz ZTPFKEYQQROJED-JLJPHGGASA-N 0 3 354.403 1.460 20 5 FDBDHN C[C@@H]1CN(CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000490098447 687132460 /nfs/dbraw/zinc/13/24/60/687132460.db2.gz CEXAXAKXCQEAPV-CHWSQXEVSA-N 0 3 350.419 1.995 20 5 FDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502723622 688292391 /nfs/dbraw/zinc/29/23/91/688292391.db2.gz BWLILQZDKTZJOT-JKSUJKDBSA-N 0 3 351.378 1.598 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000478492663 782721305 /nfs/dbraw/zinc/72/13/05/782721305.db2.gz RLXYFFQFGGCKAE-UHFFFAOYSA-N 0 3 360.374 1.003 20 5 FDBDHN CN(C(=O)CN1CCNC[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000262299395 776983583 /nfs/dbraw/zinc/98/35/83/776983583.db2.gz XFGYJEJHSMOOMY-QGZVFWFLSA-N 0 3 355.398 1.599 20 5 FDBDHN COc1c(O)ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000891923182 780210246 /nfs/dbraw/zinc/21/02/46/780210246.db2.gz COXVWUSKCUNQGJ-ZIAGYGMSSA-N 0 3 351.403 1.340 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364622746 785112131 /nfs/dbraw/zinc/11/21/31/785112131.db2.gz LJHMRKKSBBUXHV-UHFFFAOYSA-N 0 3 366.418 1.914 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411989419 785507163 /nfs/dbraw/zinc/50/71/63/785507163.db2.gz WYBYQTDXBZZJGH-LBPRGKRZSA-N 0 3 369.393 1.512 20 5 FDBDHN COc1ccccc1OCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137829 807577671 /nfs/dbraw/zinc/57/76/71/807577671.db2.gz HBMXUKPFNCNGDU-HUUCEWRRSA-N 0 3 363.414 1.274 20 5 FDBDHN CCC[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423903166 815265352 /nfs/dbraw/zinc/26/53/52/815265352.db2.gz QBBODWPTKTZBFH-ZDUSSCGKSA-N 0 3 360.418 1.637 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421293838 814079624 /nfs/dbraw/zinc/07/96/24/814079624.db2.gz FGHHSXVMATYAFQ-CYBMUJFWSA-N 0 3 364.402 1.485 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000421760234 814296190 /nfs/dbraw/zinc/29/61/90/814296190.db2.gz FPMYFXQFGMZWEH-UHFFFAOYSA-N 0 3 374.441 1.592 20 5 FDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000509981753 815713055 /nfs/dbraw/zinc/71/30/55/815713055.db2.gz JPNVAAIORPXBNN-UHFFFAOYSA-N 0 3 360.418 1.209 20 5 FDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000519614797 818868887 /nfs/dbraw/zinc/86/88/87/818868887.db2.gz TYVYXLIQSPZUGW-UHFFFAOYSA-N 0 3 366.381 1.839 20 5 FDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000507843401 820753513 /nfs/dbraw/zinc/75/35/13/820753513.db2.gz FUPWHXSBMSYLBF-UHFFFAOYSA-N 0 3 372.429 1.691 20 5 FDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446193517 828433639 /nfs/dbraw/zinc/43/36/39/828433639.db2.gz VFDGLVIKGKYFKH-HDMKZQKVSA-N 0 3 362.430 1.655 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509653595 828662996 /nfs/dbraw/zinc/66/29/96/828662996.db2.gz BDXXLGBFCKWELG-UHFFFAOYSA-N 0 3 370.400 1.859 20 5 FDBDHN COCCN(CCN(C)C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897071259 826879419 /nfs/dbraw/zinc/87/94/19/826879419.db2.gz OSWJFHNWTSTBOI-AWEZNQCLSA-N 0 3 352.435 1.918 20 5 FDBDHN COC(=O)Cc1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897220671 827183360 /nfs/dbraw/zinc/18/33/60/827183360.db2.gz XPUDXJZWAGVVDS-LSDHHAIUSA-N 0 3 363.414 1.346 20 5 FDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451771584 830441815 /nfs/dbraw/zinc/44/18/15/830441815.db2.gz HLQZPLQQPUAKGE-OLZOCXBDSA-N 0 3 365.386 1.863 20 5 FDBDHN Nc1c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428537986 832128524 /nfs/dbraw/zinc/12/85/24/832128524.db2.gz MSRMQVXOJUUGLV-AWEZNQCLSA-N 0 3 356.382 1.996 20 5 FDBDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000454610904 835590149 /nfs/dbraw/zinc/59/01/49/835590149.db2.gz GHKXUJOEKGECKP-GJZGRUSLSA-N 0 3 363.462 1.839 20 5 FDBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)C[C@H](C)O1 ZINC000476356936 841078442 /nfs/dbraw/zinc/07/84/42/841078442.db2.gz PSLBCFAFDIVHKS-BETUJISGSA-N 0 3 365.434 1.290 20 5 FDBDHN Cc1c(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000480058967 844746521 /nfs/dbraw/zinc/74/65/21/844746521.db2.gz HITJVIBDTQHFEK-CQSZACIVSA-N 0 3 363.462 1.728 20 5 FDBDHN CNC(=O)c1ccc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])c1 ZINC000481076334 846080840 /nfs/dbraw/zinc/08/08/40/846080840.db2.gz SOXLVCPBMJTREH-UHFFFAOYSA-N 0 3 371.397 1.685 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000485655074 852661912 /nfs/dbraw/zinc/66/19/12/852661912.db2.gz GVZPMSAKHZWAFV-GUYCJALGSA-N 0 3 364.421 1.832 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906972904 853602516 /nfs/dbraw/zinc/60/25/16/853602516.db2.gz QFOAWWFEESPVTI-BXUZGUMPSA-N 0 3 361.398 1.969 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916666692 882024383 /nfs/dbraw/zinc/02/43/83/882024383.db2.gz YWDMSCVLRXJPDX-NWDGAFQWSA-N 0 3 355.416 1.176 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000916966800 882735967 /nfs/dbraw/zinc/73/59/67/882735967.db2.gz OZDFWRURXSPPIH-BBWFWOEESA-N 0 3 368.336 1.591 20 5 FDBDHN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000915205480 875736676 /nfs/dbraw/zinc/73/66/76/875736676.db2.gz KOBUIGPIUCLSRU-LBPRGKRZSA-N 0 3 373.413 1.320 20 5 FDBDHN COc1ncccc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034815713 885144218 /nfs/dbraw/zinc/14/42/18/885144218.db2.gz BSYORFRWVWEBNK-IAGOWNOFSA-N 0 3 370.409 1.661 20 5 FDBDHN Cn1c(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000498556216 885260745 /nfs/dbraw/zinc/26/07/45/885260745.db2.gz FVOFVPSTMQZFTA-UHFFFAOYSA-N 0 3 371.441 1.611 20 5 FDBDHN COCCN1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000920759933 887230530 /nfs/dbraw/zinc/23/05/30/887230530.db2.gz KXFIJKQZJZWBMJ-UHFFFAOYSA-N 0 3 368.390 1.826 20 5 FDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000923308842 888873270 /nfs/dbraw/zinc/87/32/70/888873270.db2.gz PALCGNLCWHPYNK-UONOGXRCSA-N 0 3 356.386 1.484 20 5 FDBDHN C/C=C(/C)C(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079159398 902081989 /nfs/dbraw/zinc/08/19/89/902081989.db2.gz ALOQIJDFPWRAJL-MHTYJGNDSA-N 0 3 366.462 1.049 20 5 FDBDHN CC(C)(C)c1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997778273 909686404 /nfs/dbraw/zinc/68/64/04/909686404.db2.gz WZDLMIFMYLKUDP-CHWSQXEVSA-N 0 3 365.434 1.361 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000731618928 918306623 /nfs/dbraw/zinc/30/66/23/918306623.db2.gz QCBYEOWTUHZLGM-GFCCVEGCSA-N 0 3 363.370 1.148 20 5 FDBDHN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044562 928236684 /nfs/dbraw/zinc/23/66/84/928236684.db2.gz IGZLEPZRJRVRBB-YJNKXOJESA-N 0 3 350.419 1.884 20 5 FDBDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018821 928238948 /nfs/dbraw/zinc/23/89/48/928238948.db2.gz FILJBZFRBICIEJ-GRDNDAEWSA-N 0 3 352.435 1.519 20 5 FDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@H]1N1CCN(C)CC1 ZINC000787187711 932219451 /nfs/dbraw/zinc/21/94/51/932219451.db2.gz YOTJYOOQULQAHW-SUMWQHHRSA-N 0 3 361.446 1.275 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000788649553 932758029 /nfs/dbraw/zinc/75/80/29/932758029.db2.gz TYXWSUZHZJAYHI-LLVKDONJSA-N 0 3 366.399 1.325 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749319978 932987080 /nfs/dbraw/zinc/98/70/80/932987080.db2.gz HLLCUEQOZDHVRU-UHFFFAOYSA-N 0 3 356.373 1.863 20 5 FDBDHN CC(COC(=O)COc1ccc(I)cc1)[N+](=O)[O-] ZINC000813100552 941325460 /nfs/dbraw/zinc/32/54/60/941325460.db2.gz UFLLUAYVFHOEMS-MRVPVSSYSA-N 0 3 365.123 1.878 20 5 FDBDHN COc1nn(C)c2nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c12 ZINC000813102837 941325888 /nfs/dbraw/zinc/32/58/88/941325888.db2.gz JZFCBTDBEIVHPK-SECBINFHSA-N 0 3 350.375 1.735 20 5 FDBDHN COCCOc1ccc(-n2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813104048 941325984 /nfs/dbraw/zinc/32/59/84/941325984.db2.gz JDBRJUCYZWIUOG-LLVKDONJSA-N 0 3 364.358 1.423 20 5 FDBDHN CC(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[N+](=O)[O-] ZINC000813104169 941326579 /nfs/dbraw/zinc/32/65/79/941326579.db2.gz XJVWWOQLSHDNRO-AKWBHNSASA-N 0 3 368.386 1.925 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813110859 941335305 /nfs/dbraw/zinc/33/53/05/941335305.db2.gz KUDMAOMCVXVZJF-TZMCWYRMSA-N 0 3 352.362 1.815 20 5 FDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000813113033 941335761 /nfs/dbraw/zinc/33/57/61/941335761.db2.gz WPEQVAOBSBBMDG-NSHDSACASA-N 0 3 372.399 1.302 20 5 FDBDHN CC(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[N+](=O)[O-] ZINC000813114769 941336347 /nfs/dbraw/zinc/33/63/47/941336347.db2.gz GLKYGDXUXYXSEU-JTQLQIEISA-N 0 3 360.363 1.432 20 5 FDBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813114325 941336464 /nfs/dbraw/zinc/33/64/64/941336464.db2.gz PRQOXNNCHGHXFL-LBPRGKRZSA-N 0 3 356.400 1.683 20 5 FDBDHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000813630231 941417766 /nfs/dbraw/zinc/41/77/66/941417766.db2.gz JKUDPBGTDDYKEY-ZIAGYGMSSA-N 0 3 362.430 1.992 20 5 FDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)CN1CCN(C)CC1 ZINC000816939067 942413503 /nfs/dbraw/zinc/41/35/03/942413503.db2.gz RXUVWZUVBSFPMQ-GFCCVEGCSA-N 0 3 354.838 1.862 20 5 FDBDHN CS(=O)(=O)Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819134633 943434286 /nfs/dbraw/zinc/43/42/86/943434286.db2.gz KCKJVGBOLIMCLI-KRWDZBQOSA-N 0 3 364.423 1.963 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000819183768 943466327 /nfs/dbraw/zinc/46/63/27/943466327.db2.gz RPHWKDVDPLXISX-CYBMUJFWSA-N 0 3 371.440 1.258 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000819308086 943512373 /nfs/dbraw/zinc/51/23/73/943512373.db2.gz DSNCNTZGWUDBSR-KGLIPLIRSA-N 0 3 363.336 1.481 20 5 FDBDHN CN(C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000823980060 946136953 /nfs/dbraw/zinc/13/69/53/946136953.db2.gz VXTWGWLLVIHVPV-MSOLQXFVSA-N 0 3 357.410 1.917 20 5 FDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844032102 947622977 /nfs/dbraw/zinc/62/29/77/947622977.db2.gz ALNWRNYBQKAIHH-YBEMTRGBSA-N 0 3 360.414 1.577 20 5 FDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844040888 947648460 /nfs/dbraw/zinc/64/84/60/947648460.db2.gz PEHKPWBBLUPYGQ-JTQLQIEISA-N 0 3 354.794 1.440 20 5 FDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC2 ZINC000773994903 961542830 /nfs/dbraw/zinc/54/28/30/961542830.db2.gz VCHOPILIJNNCAA-AWEZNQCLSA-N 0 3 360.414 1.202 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NCc2cnoc2)CC1 ZINC001173691272 962583421 /nfs/dbraw/zinc/58/34/21/962583421.db2.gz KXTSXWMAKXJECN-UHFFFAOYSA-N 0 3 366.399 1.526 20 5 FDBDHN CNC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001175360709 963166166 /nfs/dbraw/zinc/16/61/66/963166166.db2.gz BEKKJBPBNSPHPE-HNNXBMFYSA-N 0 3 363.418 1.707 20 5 FDBDHN CCN(Cc1nccc(C)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713007 1013854232 /nfs/dbraw/zinc/85/42/32/1013854232.db2.gz GDLPXKDRKSGCOP-HZPDHXFCSA-N 0 3 361.446 1.511 20 5 FDBDHN O=Cc1ccc(OCC(=O)NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000863031942 972620832 /nfs/dbraw/zinc/62/08/32/972620832.db2.gz CJROKJWTJQVZEF-OAHLLOKOSA-N 0 3 361.398 1.919 20 5 FDBDHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1F ZINC000866213623 975491955 /nfs/dbraw/zinc/49/19/55/975491955.db2.gz YSOCAOPIPIGMAI-UHFFFAOYSA-N 0 3 352.410 1.959 20 5 FDBDHN CNc1nccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000847487682 975714098 /nfs/dbraw/zinc/71/40/98/975714098.db2.gz HVYDOWQLWDRPOC-ZDUSSCGKSA-N 0 3 363.418 1.405 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582692 976912973 /nfs/dbraw/zinc/91/29/73/976912973.db2.gz PGRDFZZBIJFYBW-OCCSQVGLSA-N 0 3 371.340 1.546 20 5 FDBDHN NC(=O)[C@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000851883170 979156556 /nfs/dbraw/zinc/15/65/56/979156556.db2.gz PDUJCRNNXLSLNV-IBGZPJMESA-N 0 3 355.394 1.932 20 5 FDBDHN CN1CCN(CC2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000858610679 982150470 /nfs/dbraw/zinc/15/04/70/982150470.db2.gz GXDAKASNONXPDV-UHFFFAOYSA-N 0 3 359.430 1.163 20 5 FDBDHN CO[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000860777842 983513338 /nfs/dbraw/zinc/51/33/38/983513338.db2.gz XFKKKYKMVFZSPR-BPLDGKMQSA-N 0 3 366.370 1.621 20 5 FDBDHN COc1cc(OCC(=O)OC[C@]2(C)C[C@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861345203 983695638 /nfs/dbraw/zinc/69/56/38/983695638.db2.gz QGQDJSYUMXJKHO-GUYCJALGSA-N 0 3 368.386 1.635 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957169 985001977 /nfs/dbraw/zinc/00/19/77/985001977.db2.gz MEWCGMMTSYMERB-RYUDHWBXSA-N 0 3 357.407 1.947 20 5 FDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884957169 985001999 /nfs/dbraw/zinc/00/19/99/985001999.db2.gz MEWCGMMTSYMERB-RYUDHWBXSA-N 0 3 357.407 1.947 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCN1C1CCOCC1 ZINC000885866478 985726076 /nfs/dbraw/zinc/72/60/76/985726076.db2.gz WZCWJSWFEDVYKM-QGZVFWFLSA-N 0 3 372.425 1.919 20 5 FDBDHN CN(C)CCN(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796888105 987175187 /nfs/dbraw/zinc/17/51/87/987175187.db2.gz AJFJNQIKIPIFET-UHFFFAOYSA-N 0 3 373.251 1.814 20 5 FDBDHN CC(C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796576405 1015330126 /nfs/dbraw/zinc/33/01/26/1015330126.db2.gz GBTQUPYJXZYIKP-ZDUSSCGKSA-N 0 3 351.403 1.325 20 5 FDBDHN Cc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000825634295 988217049 /nfs/dbraw/zinc/21/70/49/988217049.db2.gz PIYJRDTVZVVIDA-IAGOWNOFSA-N 0 3 371.441 1.988 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365931104 988234895 /nfs/dbraw/zinc/23/48/95/988234895.db2.gz CHOTXBHCVBSXDH-DOMZBBRYSA-N 0 3 362.434 1.621 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)c2ncccc12 ZINC000362323165 988632716 /nfs/dbraw/zinc/63/27/16/988632716.db2.gz WIVUIUCINCYFDB-OAHLLOKOSA-N 0 3 371.441 1.961 20 5 FDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000369671489 989081303 /nfs/dbraw/zinc/08/13/03/989081303.db2.gz UITDHJNICCIKOX-AWEZNQCLSA-N 0 3 363.414 1.685 20 5 FDBDHN CCc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000369936669 989323262 /nfs/dbraw/zinc/32/32/62/989323262.db2.gz MMCHUFVIMODOIA-INIZCTEOSA-N 0 3 374.441 1.712 20 5 FDBDHN CCc1[nH]nc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000370133748 989479322 /nfs/dbraw/zinc/47/93/22/989479322.db2.gz SRQQRKOWSGIQBL-LLVKDONJSA-N 0 3 359.386 1.850 20 5 FDBDHN CN1CCC(Oc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000371101742 990249425 /nfs/dbraw/zinc/24/94/25/990249425.db2.gz WSJSCPVUZFZHHC-UHFFFAOYSA-N 0 3 360.374 1.298 20 5 FDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000371358412 990380401 /nfs/dbraw/zinc/38/04/01/990380401.db2.gz AMKIHTSLQUZVBA-SUMWQHHRSA-N 0 3 364.421 1.832 20 5 FDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000874832707 990557125 /nfs/dbraw/zinc/55/71/25/990557125.db2.gz HNDXNBVGVUDTBG-CABCVRRESA-N 0 3 365.455 1.988 20 5 FDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000874848899 990577583 /nfs/dbraw/zinc/57/75/83/990577583.db2.gz USNWBTWZXRJPRB-ZIAGYGMSSA-N 0 3 356.386 1.484 20 5 FDBDHN CN1CCC[C@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1=O ZINC000372548140 991203415 /nfs/dbraw/zinc/20/34/15/991203415.db2.gz QHGQFGXQCJZFKX-VQIMIIECSA-N 0 3 372.425 1.644 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000876471262 992629725 /nfs/dbraw/zinc/62/97/25/992629725.db2.gz LSXDELXUVNSLTL-QGZVFWFLSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000876475441 992647974 /nfs/dbraw/zinc/64/79/74/992647974.db2.gz ODTNJFZCDPJDJX-SFHVURJKSA-N 0 3 365.430 1.631 20 5 FDBDHN NC(=O)c1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])c1 ZINC000375307890 993063456 /nfs/dbraw/zinc/06/34/56/993063456.db2.gz IFFVDVMLWLUKGJ-LJQANCHMSA-N 0 3 366.377 1.790 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000285020699 999894945 /nfs/dbraw/zinc/89/49/45/999894945.db2.gz OHJNTXHAILAUIH-HOTGVXAUSA-N 0 3 363.414 1.604 20 5 FDBDHN CN1CCN(CCCCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930204170 1002924919 /nfs/dbraw/zinc/92/49/19/1002924919.db2.gz IKLUAOYKXYTRAB-MSOLQXFVSA-N 0 3 360.458 1.842 20 5 FDBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000931612496 1004318069 /nfs/dbraw/zinc/31/80/69/1004318069.db2.gz XUAJPPHJWBFTEM-KGLIPLIRSA-N 0 3 352.366 1.797 20 5 FDBDHN Cn1ccc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000932141025 1004791028 /nfs/dbraw/zinc/79/10/28/1004791028.db2.gz NHFCCJQLBUNLND-HNNXBMFYSA-N 0 3 360.414 1.948 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932474892 1004977907 /nfs/dbraw/zinc/97/79/07/1004977907.db2.gz OKQVBXKWQNKHOK-ZWKOTPCHSA-N 0 3 360.458 1.794 20 5 FDBDHN C[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000932714968 1005118887 /nfs/dbraw/zinc/11/88/87/1005118887.db2.gz XUFDJZNNWMKHTN-CQSZACIVSA-N 0 3 366.437 1.666 20 5 FDBDHN CN1CCN(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000933996128 1005675814 /nfs/dbraw/zinc/67/58/14/1005675814.db2.gz PTQWBQBKYQIMBF-UHFFFAOYSA-N 0 3 369.853 1.366 20 5 FDBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778230576 1005710906 /nfs/dbraw/zinc/71/09/06/1005710906.db2.gz CMMZJRLIRQNNBK-WCQYABFASA-N 0 3 361.320 1.629 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934261841 1005724395 /nfs/dbraw/zinc/72/43/95/1005724395.db2.gz SIHIIHYJHHPQLR-LSDHHAIUSA-N 0 3 362.430 1.373 20 5 FDBDHN CN(C(=O)CN1CC[C@H]2[C@H]1CCCN2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000934265048 1005725404 /nfs/dbraw/zinc/72/54/04/1005725404.db2.gz QOEIXCXDRJLLPW-SJORKVTESA-N 0 3 362.430 1.089 20 5 FDBDHN COCCN1[C@H](C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246857555 1007611783 /nfs/dbraw/zinc/61/17/83/1007611783.db2.gz VVTIRELFUITFCB-HLLBOEOZSA-N 0 3 367.446 1.376 20 5 FDBDHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000193100529 178146617 /nfs/dbraw/zinc/14/66/17/178146617.db2.gz KMUFUAQDJPNQTL-UHFFFAOYSA-N 0 3 370.475 1.127 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193293199 178155948 /nfs/dbraw/zinc/15/59/48/178155948.db2.gz IOZAXAICKXRZLC-JOYOIKCWSA-N 0 3 361.395 1.538 20 5 FDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000194729254 178221680 /nfs/dbraw/zinc/22/16/80/178221680.db2.gz QCXYUXYWVDNKGA-SNVBAGLBSA-N 0 3 353.322 1.629 20 5 FDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000194819730 178226555 /nfs/dbraw/zinc/22/65/55/178226555.db2.gz WTIOQHNWPMHKPM-GFCCVEGCSA-N 0 3 352.391 1.780 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000194864275 178228234 /nfs/dbraw/zinc/22/82/34/178228234.db2.gz MBOWONJWPUIRKJ-OAHLLOKOSA-N 0 3 360.414 1.282 20 5 FDBDHN C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1 ZINC000237566549 178319787 /nfs/dbraw/zinc/31/97/87/178319787.db2.gz FENZGSBZZZJXFF-VXGBXAGGSA-N 0 3 362.386 1.492 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000509466369 538949855 /nfs/dbraw/zinc/94/98/55/538949855.db2.gz ANDWPQIUPVKZNR-CHWSQXEVSA-N 0 3 350.419 1.956 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000264156842 179037796 /nfs/dbraw/zinc/03/77/96/179037796.db2.gz DUZBWKJZARCWJY-UHFFFAOYSA-N 0 3 369.443 1.518 20 5 FDBDHN COCCN(CCN(C)C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264255620 179061305 /nfs/dbraw/zinc/06/13/05/179061305.db2.gz CVPDVGHXSJWADR-UHFFFAOYSA-N 0 3 354.407 1.323 20 5 FDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000265200488 179310467 /nfs/dbraw/zinc/31/04/67/179310467.db2.gz JJRACGDXHUUDDC-CQSZACIVSA-N 0 3 367.402 1.405 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268255301 180037086 /nfs/dbraw/zinc/03/70/86/180037086.db2.gz XTKMYOQTBJRKDE-BDJLRTHQSA-N 0 3 361.398 1.984 20 5 FDBDHN CC(C)c1n[n-]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000269555131 180329650 /nfs/dbraw/zinc/32/96/50/180329650.db2.gz YYGNDRCRWURBKW-GFCCVEGCSA-N 0 3 351.407 1.236 20 5 FDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269594077 180336843 /nfs/dbraw/zinc/33/68/43/180336843.db2.gz FSDLLSHSPDLWCR-HZSPNIEDSA-N 0 3 350.419 1.239 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934262408 781928800 /nfs/dbraw/zinc/92/88/00/781928800.db2.gz WPDIXGKUHSDPEM-IAGOWNOFSA-N 0 3 362.430 1.373 20 5 FDBDHN CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000531614945 540106592 /nfs/dbraw/zinc/10/65/92/540106592.db2.gz NMQXPVCBJYHZFU-UKRRQHHQSA-N 0 3 368.434 1.596 20 5 FDBDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000531614946 540106784 /nfs/dbraw/zinc/10/67/84/540106784.db2.gz NMQXPVCBJYHZFU-ZFWWWQNUSA-N 0 3 368.434 1.596 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247520 540338612 /nfs/dbraw/zinc/33/86/12/540338612.db2.gz WELLCELFQGRJIE-ZDUSSCGKSA-N 0 3 360.414 1.899 20 5 FDBDHN CN(C)CCn1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1=O ZINC000534489721 540372933 /nfs/dbraw/zinc/37/29/33/540372933.db2.gz TXXIECRGWMLATN-UHFFFAOYSA-N 0 3 374.353 1.299 20 5 FDBDHN COC[C@H](CC(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859851 540654988 /nfs/dbraw/zinc/65/49/88/540654988.db2.gz YYWBJLLVCUQLMD-ZDUSSCGKSA-N 0 3 359.448 1.524 20 5 FDBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000537973358 540795022 /nfs/dbraw/zinc/79/50/22/540795022.db2.gz HHTQHBAMTMOMPC-CHWSQXEVSA-N 0 3 357.432 1.278 20 5 FDBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCCO ZINC000538174378 540820635 /nfs/dbraw/zinc/82/06/35/540820635.db2.gz GXSVQCWGVUJKJJ-GFCCVEGCSA-N 0 3 350.375 1.522 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275428788 181316063 /nfs/dbraw/zinc/31/60/63/181316063.db2.gz FEXPDQRLVQXXQZ-LBPRGKRZSA-N 0 3 373.413 1.641 20 5 FDBDHN CN(C)C(=O)NCCN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000539729132 540986174 /nfs/dbraw/zinc/98/61/74/540986174.db2.gz ZNMIGTLJOISMLP-UHFFFAOYSA-N 0 3 365.390 1.096 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000540053091 541023116 /nfs/dbraw/zinc/02/31/16/541023116.db2.gz PVJIQNWHAABPRD-OLZOCXBDSA-N 0 3 350.419 1.956 20 5 FDBDHN COc1c(F)cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275494637 181333667 /nfs/dbraw/zinc/33/36/67/181333667.db2.gz QBHAARUHSNJFIJ-UHFFFAOYSA-N 0 3 361.395 1.505 20 5 FDBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000275552112 181349029 /nfs/dbraw/zinc/34/90/29/181349029.db2.gz BVRRFXHIFUPOIJ-UHFFFAOYSA-N 0 3 352.391 1.836 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCS1(=O)=O ZINC000542483919 541413928 /nfs/dbraw/zinc/41/39/28/541413928.db2.gz VAAAJKILEPURSL-WFASDCNBSA-N 0 3 369.443 1.869 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000543994655 541698223 /nfs/dbraw/zinc/69/82/23/541698223.db2.gz BOKOUQGIUZFHRI-AAEUAGOBSA-N 0 3 355.416 1.479 20 5 FDBDHN Cn1c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000544585687 541791201 /nfs/dbraw/zinc/79/12/01/541791201.db2.gz YIXRGYGOOUMSPQ-UHFFFAOYSA-N 0 3 363.462 1.423 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CCC(O)CC1 ZINC000286163664 183002165 /nfs/dbraw/zinc/00/21/65/183002165.db2.gz CGLVFDQHYYUIDX-UHFFFAOYSA-N 0 3 351.403 1.949 20 5 FDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286632921 183115136 /nfs/dbraw/zinc/11/51/36/183115136.db2.gz AYOCBMPNAOVPMN-UKRRQHHQSA-N 0 3 370.413 1.874 20 5 FDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000546852833 542243630 /nfs/dbraw/zinc/24/36/30/542243630.db2.gz MAJDPIYUNQXIGJ-UHFFFAOYSA-N 0 3 371.397 1.781 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000288576059 183516337 /nfs/dbraw/zinc/51/63/37/183516337.db2.gz XBVUBJGSXJREFS-JKIFEVAISA-N 0 3 374.441 1.798 20 5 FDBDHN COCC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000295238421 184047992 /nfs/dbraw/zinc/04/79/92/184047992.db2.gz SOMBJAZISOBYCJ-UHFFFAOYSA-N 0 3 371.459 1.668 20 5 FDBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295986573 184119907 /nfs/dbraw/zinc/11/99/07/184119907.db2.gz JOJFFNWNLFAJQH-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000296570946 184179868 /nfs/dbraw/zinc/17/98/68/184179868.db2.gz QKNVRBWIFRPHON-CYBMUJFWSA-N 0 3 372.447 1.673 20 5 FDBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000296958140 184219345 /nfs/dbraw/zinc/21/93/45/184219345.db2.gz CLXPTILUBSALHP-JKSUJKDBSA-N 0 3 357.414 1.988 20 5 FDBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000296958137 184219381 /nfs/dbraw/zinc/21/93/81/184219381.db2.gz CLXPTILUBSALHP-HZPDHXFCSA-N 0 3 357.414 1.988 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297038731 184228512 /nfs/dbraw/zinc/22/85/12/184228512.db2.gz WYSZZSPSTJWRHA-CABCVRRESA-N 0 3 363.462 1.981 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000548011153 542521238 /nfs/dbraw/zinc/52/12/38/542521238.db2.gz XYMURFMRZCRJNE-DZGCQCFKSA-N 0 3 360.418 1.175 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000173089063 258291329 /nfs/dbraw/zinc/29/13/29/258291329.db2.gz RCSKDFXLGZLMBU-UHFFFAOYSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548745226 542769759 /nfs/dbraw/zinc/76/97/59/542769759.db2.gz MBZYYDOVDUVIOP-DOMZBBRYSA-N 0 3 355.398 1.822 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173261993 258294529 /nfs/dbraw/zinc/29/45/29/258294529.db2.gz ZDFRODVZQDYDQA-OCCSQVGLSA-N 0 3 371.459 1.954 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552026590 543407877 /nfs/dbraw/zinc/40/78/77/543407877.db2.gz VVJZKDWBAIOAGO-SJKOYZFVSA-N 0 3 365.455 1.648 20 5 FDBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000552528484 543480903 /nfs/dbraw/zinc/48/09/03/543480903.db2.gz VKJLAGKDNXKHHE-UHFFFAOYSA-N 0 3 373.475 1.882 20 5 FDBDHN C[C@H]1CN(CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085455762 172218148 /nfs/dbraw/zinc/21/81/48/172218148.db2.gz FXUPJCBWKICXLZ-STQMWFEESA-N 0 3 350.419 1.796 20 5 FDBDHN Cc1c(C(=O)N(C)CC2CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000103454105 172366638 /nfs/dbraw/zinc/36/66/38/172366638.db2.gz AGVNDAZFGXLNMM-UHFFFAOYSA-N 0 3 372.429 1.898 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000136187101 173358036 /nfs/dbraw/zinc/35/80/36/173358036.db2.gz BTRYZNAWWSIQAA-VQIMIIECSA-N 0 3 358.394 1.758 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000140049595 173375554 /nfs/dbraw/zinc/37/55/54/173375554.db2.gz HRYVIRNFWOHMOX-CYBMUJFWSA-N 0 3 363.443 1.881 20 5 FDBDHN COc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000150788786 173380919 /nfs/dbraw/zinc/38/09/19/173380919.db2.gz IHSXUHTZIIPVAH-NSHDSACASA-N 0 3 355.416 1.366 20 5 FDBDHN COc1cc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000150796865 173382366 /nfs/dbraw/zinc/38/23/66/173382366.db2.gz MUSYZLZWODVABX-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175424865 174005380 /nfs/dbraw/zinc/00/53/80/174005380.db2.gz HCLHJSJSGFHOAS-WFDVWIOOSA-N 0 3 366.443 1.583 20 5 FDBDHN COc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000177053919 174104464 /nfs/dbraw/zinc/10/44/64/174104464.db2.gz XUFONFOAELFZOW-UHFFFAOYSA-N 0 3 369.443 1.756 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177536816 174139405 /nfs/dbraw/zinc/13/94/05/174139405.db2.gz UEUFBRBFSGLSKW-LLVKDONJSA-N 0 3 354.794 1.739 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247517368 258398817 /nfs/dbraw/zinc/39/88/17/258398817.db2.gz NSAIZUSVSGVGFX-GXTWGEPZSA-N 0 3 369.443 1.708 20 5 FDBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCO1 ZINC000279002463 258526228 /nfs/dbraw/zinc/52/62/28/258526228.db2.gz DAVNWBJLTWAFIO-GJZGRUSLSA-N 0 3 355.366 1.846 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553279656 543602020 /nfs/dbraw/zinc/60/20/20/543602020.db2.gz BJMQCGIFZLYJEB-LBPRGKRZSA-N 0 3 360.418 1.682 20 5 FDBDHN C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000553449485 543639004 /nfs/dbraw/zinc/63/90/04/543639004.db2.gz PVJUHJVVWFIASA-ZFWWWQNUSA-N 0 3 361.446 1.156 20 5 FDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554460089 543803908 /nfs/dbraw/zinc/80/39/08/543803908.db2.gz DFFFXPMXTJAABF-UHFFFAOYSA-N 0 3 362.430 1.625 20 5 FDBDHN Cc1sc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000559257442 544614755 /nfs/dbraw/zinc/61/47/55/544614755.db2.gz JHUMYMCEUCDFTA-LLVKDONJSA-N 0 3 368.459 1.685 20 5 FDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289741143 258841376 /nfs/dbraw/zinc/84/13/76/258841376.db2.gz JPZLZAPFMWXJKB-QGPMSJSTSA-N 0 3 365.430 1.130 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301552830 259029758 /nfs/dbraw/zinc/02/97/58/259029758.db2.gz VVPLZNRNXCNOHA-LBPRGKRZSA-N 0 3 360.418 1.682 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301839160 259034583 /nfs/dbraw/zinc/03/45/83/259034583.db2.gz ZLNAUGMUGHNSCQ-CQSZACIVSA-N 0 3 354.357 1.792 20 5 FDBDHN CC(C)(C)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302142407 259039371 /nfs/dbraw/zinc/03/93/71/259039371.db2.gz PORANHYPRAIAEN-UHFFFAOYSA-N 0 3 370.475 1.800 20 5 FDBDHN Cc1n[nH]c(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000330418360 259143864 /nfs/dbraw/zinc/14/38/64/259143864.db2.gz FJJIVFDWBMOCSN-RYUDHWBXSA-N 0 3 365.434 1.588 20 5 FDBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000330602885 259152941 /nfs/dbraw/zinc/15/29/41/259152941.db2.gz HNLVXEIDFREIGK-OLZOCXBDSA-N 0 3 357.432 1.553 20 5 FDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332173712 259247679 /nfs/dbraw/zinc/24/76/79/259247679.db2.gz SPWYADOUVVFSTI-TZMCWYRMSA-N 0 3 363.414 1.753 20 5 FDBDHN CO[C@H]1C[C@@H](CN(C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)N(C)C1 ZINC000332210169 259249468 /nfs/dbraw/zinc/24/94/68/259249468.db2.gz UOPOJVVWBIANII-YESZJQIVSA-N 0 3 362.430 1.351 20 5 FDBDHN CN(C)C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2O1 ZINC000367129645 259998442 /nfs/dbraw/zinc/99/84/42/259998442.db2.gz VNKMBHFLDCXHQV-HNNXBMFYSA-N 0 3 358.398 1.586 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCCN([C@@H](C)CO)CC1 ZINC000367827278 260097078 /nfs/dbraw/zinc/09/70/78/260097078.db2.gz UBCCUFKGVOOOGR-ZDUSSCGKSA-N 0 3 351.403 1.583 20 5 FDBDHN C[C@H](CO)N1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000368962680 260268424 /nfs/dbraw/zinc/26/84/24/260268424.db2.gz CHHFPYSNKAYRRY-CYBMUJFWSA-N 0 3 361.402 1.533 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368973749 260270477 /nfs/dbraw/zinc/27/04/77/260270477.db2.gz LIRDZVPEUHFTBT-DXCKQFNASA-N 0 3 360.414 1.818 20 5 FDBDHN CN(C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369010557 260276118 /nfs/dbraw/zinc/27/61/18/260276118.db2.gz OGEMBDBSLPFACH-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369567864 260392700 /nfs/dbraw/zinc/39/27/00/260392700.db2.gz IYDKJSHGMXHJES-MLGOLLRUSA-N 0 3 363.443 1.970 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](n3cc4ccccc4n3)C2)c1 ZINC000371644410 260742551 /nfs/dbraw/zinc/74/25/51/260742551.db2.gz BFONITAINXBMFB-GOEBONIOSA-N 0 3 356.386 1.449 20 5 FDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000373920418 261052589 /nfs/dbraw/zinc/05/25/89/261052589.db2.gz FSBVLGKBVLLPOU-CQSZACIVSA-N 0 3 360.414 1.929 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000374905509 261222912 /nfs/dbraw/zinc/22/29/12/261222912.db2.gz YYUHQJYOZMYHLZ-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000378411547 262020145 /nfs/dbraw/zinc/02/01/45/262020145.db2.gz MNVYMNDVUFOMCI-ZDUSSCGKSA-N 0 3 354.432 1.044 20 5 FDBDHN O=C(c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000408125266 262086259 /nfs/dbraw/zinc/08/62/59/262086259.db2.gz XGTTVDLUKKFUGP-HNNXBMFYSA-N 0 3 360.414 1.352 20 5 FDBDHN CN(C)S(=O)(=O)c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000408321738 262093756 /nfs/dbraw/zinc/09/37/56/262093756.db2.gz QEJQBODOSPOVOA-LBPRGKRZSA-N 0 3 354.432 1.130 20 5 FDBDHN CC1CCN(C[C@@H](O)CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000409709148 262135473 /nfs/dbraw/zinc/13/54/73/262135473.db2.gz DNCIRZHFNFNDQK-AWEZNQCLSA-N 0 3 351.403 1.183 20 5 FDBDHN COc1cc(OCC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271195032 674320385 /nfs/dbraw/zinc/32/03/85/674320385.db2.gz WLOQSHHBERRQQL-DZGCQCFKSA-N 0 3 369.443 1.486 20 5 FDBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000271470295 674345831 /nfs/dbraw/zinc/34/58/31/674345831.db2.gz SHMRDLXDMVBXGK-STQMWFEESA-N 0 3 357.407 1.947 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000022292611 518897825 /nfs/dbraw/zinc/89/78/25/518897825.db2.gz YWEIIDCCDYSWPC-UHFFFAOYSA-N 0 3 360.414 1.458 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000041596881 519660115 /nfs/dbraw/zinc/66/01/15/519660115.db2.gz QJRRWUYIIKNNPJ-NSHDSACASA-N 0 3 350.375 1.142 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069529036 521905026 /nfs/dbraw/zinc/90/50/26/521905026.db2.gz GMXJKDYQKRICEG-LBPRGKRZSA-N 0 3 367.402 1.453 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000046036575 522210992 /nfs/dbraw/zinc/21/09/92/522210992.db2.gz CUKBYVRXCMMEBX-QWHCGFSZSA-N 0 3 355.416 1.509 20 5 FDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073095297 522464887 /nfs/dbraw/zinc/46/48/87/522464887.db2.gz IZOVCWQPIXQPRQ-ZDUSSCGKSA-N 0 3 363.414 1.709 20 5 FDBDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000047459949 522532861 /nfs/dbraw/zinc/53/28/61/522532861.db2.gz CSZAULVANWMINZ-UHFFFAOYSA-N 0 3 371.441 1.861 20 5 FDBDHN CC(=O)NCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047772364 522598994 /nfs/dbraw/zinc/59/89/94/522598994.db2.gz WVYZHDWZCQGCEW-INIZCTEOSA-N 0 3 351.403 1.183 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065937525 522921629 /nfs/dbraw/zinc/92/16/29/522921629.db2.gz RMGZCHLHWKKKTG-UHFFFAOYSA-N 0 3 368.344 1.055 20 5 FDBDHN Cc1ccccc1CN1CCC(NC(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000077234445 523274174 /nfs/dbraw/zinc/27/41/74/523274174.db2.gz DOEUEXQQDGGBKJ-UHFFFAOYSA-N 0 3 357.414 1.881 20 5 FDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067305336 523384150 /nfs/dbraw/zinc/38/41/50/523384150.db2.gz DSQXFTABHWSRMH-CYBMUJFWSA-N 0 3 370.413 1.922 20 5 FDBDHN CN1CCN(CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077570785 523386551 /nfs/dbraw/zinc/38/65/51/523386551.db2.gz NRACGHDUPYTNDL-UHFFFAOYSA-N 0 3 350.419 1.117 20 5 FDBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000121198625 524183840 /nfs/dbraw/zinc/18/38/40/524183840.db2.gz JAWFACBLPAQKRK-LRDDRELGSA-N 0 3 372.429 1.896 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000081997430 524205735 /nfs/dbraw/zinc/20/57/35/524205735.db2.gz JGIXBLRNVIZNBK-UHFFFAOYSA-N 0 3 367.450 1.532 20 5 FDBDHN COC(=O)Cn1cc(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000157287737 524246246 /nfs/dbraw/zinc/24/62/46/524246246.db2.gz REGGBSMSYTYWRR-UHFFFAOYSA-N 0 3 359.386 1.566 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000157333101 524254048 /nfs/dbraw/zinc/25/40/48/524254048.db2.gz KPFSUIMIRARCDS-UHFFFAOYSA-N 0 3 361.402 1.396 20 5 FDBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549046 524599882 /nfs/dbraw/zinc/59/98/82/524599882.db2.gz LQONYWZURPEVIG-CQSZACIVSA-N 0 3 364.446 1.631 20 5 FDBDHN CCCC(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090524794 524601101 /nfs/dbraw/zinc/60/11/01/524601101.db2.gz VLYSJGFWMPJPCJ-CQSZACIVSA-N 0 3 350.419 1.385 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000174706413 524699034 /nfs/dbraw/zinc/69/90/34/524699034.db2.gz YDUZIOLQLNVDAU-HOTGVXAUSA-N 0 3 374.397 1.761 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000174748523 524722955 /nfs/dbraw/zinc/72/29/55/524722955.db2.gz ALNRVHZBYRIFAX-ZWKOTPCHSA-N 0 3 360.414 1.833 20 5 FDBDHN CCOc1ccc([C@H](C)NCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000152875170 525035242 /nfs/dbraw/zinc/03/52/42/525035242.db2.gz UZZOJJAJLICVPK-LBPRGKRZSA-N 0 3 351.403 1.926 20 5 FDBDHN CN(C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000161555052 525128838 /nfs/dbraw/zinc/12/88/38/525128838.db2.gz XDIPFVFODZXRAC-CQSZACIVSA-N 0 3 350.419 1.383 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1CN1CCCCC1 ZINC000161863033 525178705 /nfs/dbraw/zinc/17/87/05/525178705.db2.gz ZJJKJNGTUHIRLH-AWEZNQCLSA-N 0 3 350.423 1.451 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000162435259 525259046 /nfs/dbraw/zinc/25/90/46/525259046.db2.gz AFLKONYEYIQHBL-QGZVFWFLSA-N 0 3 362.430 1.212 20 5 FDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117252569 525293171 /nfs/dbraw/zinc/29/31/71/525293171.db2.gz YUFYLRDTSVEKGP-CYBMUJFWSA-N 0 3 358.398 1.993 20 5 FDBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164733204 525526583 /nfs/dbraw/zinc/52/65/83/525526583.db2.gz IYKHFPFYEUOYLM-UHFFFAOYSA-N 0 3 367.356 1.811 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000181348999 525843092 /nfs/dbraw/zinc/84/30/92/525843092.db2.gz NWIDBIYJLNFAEJ-AWEZNQCLSA-N 0 3 362.430 1.503 20 5 FDBDHN Cc1cc(=O)c(C(=O)N[C@@H](CN)CC(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000155422317 525860828 /nfs/dbraw/zinc/86/08/28/525860828.db2.gz IACYHGNYJNLOJN-CYBMUJFWSA-N 0 3 373.413 1.552 20 5 FDBDHN Cc1c(NC(=O)CCN2CCN(CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000171155749 525873921 /nfs/dbraw/zinc/87/39/21/525873921.db2.gz DDYAIXLFDPEHQG-UHFFFAOYSA-N 0 3 364.446 1.620 20 5 FDBDHN CN(C)CCOc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000132704633 525987009 /nfs/dbraw/zinc/98/70/09/525987009.db2.gz JRLXSKJZGQEWFK-UHFFFAOYSA-N 0 3 374.397 1.013 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171448985 525998055 /nfs/dbraw/zinc/99/80/55/525998055.db2.gz KOVGBNQYBMPQTI-CJNGLKHVSA-N 0 3 360.414 1.410 20 5 FDBDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109133161 526079296 /nfs/dbraw/zinc/07/92/96/526079296.db2.gz LWTGDVFOSRAGTH-DOMZBBRYSA-N 0 3 356.386 1.205 20 5 FDBDHN C[C@@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C1CC1 ZINC000171697090 526080466 /nfs/dbraw/zinc/08/04/66/526080466.db2.gz QPKGTTVUDBNNDR-AWEZNQCLSA-N 0 3 361.446 1.909 20 5 FDBDHN CN(C)C(=O)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000182167264 526080502 /nfs/dbraw/zinc/08/05/02/526080502.db2.gz LNRPIOYZKSMZDG-MRXNPFEDSA-N 0 3 365.430 1.525 20 5 FDBDHN COc1ccc(OCCN(C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC000156322760 526109934 /nfs/dbraw/zinc/10/99/34/526109934.db2.gz LJTUNYNTYWQXCY-CQSZACIVSA-N 0 3 351.403 1.782 20 5 FDBDHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182651898 535839452 /nfs/dbraw/zinc/83/94/52/535839452.db2.gz SAZYXJCCFIXBHJ-KRWDZBQOSA-N 0 3 358.398 1.831 20 5 FDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183664526 536024739 /nfs/dbraw/zinc/02/47/39/536024739.db2.gz PPYPCXPXTBAYPW-OAHLLOKOSA-N 0 3 355.460 1.741 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183742079 536040891 /nfs/dbraw/zinc/04/08/91/536040891.db2.gz QQVWTCLGFQVXEG-CQSZACIVSA-N 0 3 361.851 1.769 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000183886859 536062060 /nfs/dbraw/zinc/06/20/60/536062060.db2.gz ZYHYOXRCJQWPHV-ZDUSSCGKSA-N 0 3 365.434 1.751 20 5 FDBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000184581451 536166871 /nfs/dbraw/zinc/16/68/71/536166871.db2.gz VTTACYMQZRHVDY-UHFFFAOYSA-N 0 3 350.423 1.527 20 5 FDBDHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000246227110 536904623 /nfs/dbraw/zinc/90/46/23/536904623.db2.gz QNYYUJHSBQOKIE-DGCLKSJQSA-N 0 3 357.432 1.564 20 5 FDBDHN COCCOC[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000266603756 536908846 /nfs/dbraw/zinc/90/88/46/536908846.db2.gz RXXAPNHPHCFLHU-ZBFHGGJFSA-N 0 3 354.403 1.319 20 5 FDBDHN COc1cc(OCC(=O)NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000188728510 536936784 /nfs/dbraw/zinc/93/67/84/536936784.db2.gz WQTNTWGTRJVCBA-UHFFFAOYSA-N 0 3 357.366 1.902 20 5 FDBDHN COc1ccc(OCCN2CCN(CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000189475414 537053318 /nfs/dbraw/zinc/05/33/18/537053318.db2.gz BQCIUCKEDFPULW-CQSZACIVSA-N 0 3 367.446 1.759 20 5 FDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000246951184 537057527 /nfs/dbraw/zinc/05/75/27/537057527.db2.gz JGXATUGSDMZAPV-DOMZBBRYSA-N 0 3 372.429 1.916 20 5 FDBDHN CC(C)OC1CC(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189526550 537060436 /nfs/dbraw/zinc/06/04/36/537060436.db2.gz YCBLKHQLBDFUSG-UHFFFAOYSA-N 0 3 357.432 1.419 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000247671235 537144623 /nfs/dbraw/zinc/14/46/23/537144623.db2.gz ZMJUCBNXDNVFPI-SMDDNHRTSA-N 0 3 357.407 1.839 20 5 FDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426451 537180020 /nfs/dbraw/zinc/18/00/20/537180020.db2.gz LBUCEAWOKNHIIX-ZFWWWQNUSA-N 0 3 353.444 1.841 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191268399 537202058 /nfs/dbraw/zinc/20/20/58/537202058.db2.gz OLJBHFHSYTZGAQ-AWEZNQCLSA-N 0 3 351.403 1.752 20 5 FDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000248711780 537208217 /nfs/dbraw/zinc/20/82/17/537208217.db2.gz BKJQKKDHRUSNGN-RHSMWYFYSA-N 0 3 370.409 1.393 20 5 FDBDHN CCN(CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000285807457 537301846 /nfs/dbraw/zinc/30/18/46/537301846.db2.gz AXBDQNMLWIAIBO-UHFFFAOYSA-N 0 3 374.441 1.686 20 5 FDBDHN O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298879635 537353030 /nfs/dbraw/zinc/35/30/30/537353030.db2.gz NQWLCXYWSXZWIF-UHFFFAOYSA-N 0 3 357.414 1.471 20 5 FDBDHN CC(C)(CO)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293147458 537367733 /nfs/dbraw/zinc/36/77/33/537367733.db2.gz UASOLXSECMTUCF-HNNXBMFYSA-N 0 3 356.444 1.755 20 5 FDBDHN CN(C)CCN(Cc1ccccc1F)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290863071 537436218 /nfs/dbraw/zinc/43/62/18/537436218.db2.gz YTEAPJRTGCLHDX-UHFFFAOYSA-N 0 3 361.377 1.796 20 5 FDBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000365244908 537462427 /nfs/dbraw/zinc/46/24/27/537462427.db2.gz UXWOMDKACFQNPO-UHFFFAOYSA-N 0 3 351.403 1.788 20 5 FDBDHN CN1CC[C@@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000293918905 537625605 /nfs/dbraw/zinc/62/56/05/537625605.db2.gz PCTKBDSWNKLQDB-GOSISDBHSA-N 0 3 355.398 1.948 20 5 FDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000416310514 537801187 /nfs/dbraw/zinc/80/11/87/537801187.db2.gz NYKAMPWMPXRBHU-QWHCGFSZSA-N 0 3 373.413 1.512 20 5 FDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412090770 537954830 /nfs/dbraw/zinc/95/48/30/537954830.db2.gz GPEUHLUOMOVMPG-OAHLLOKOSA-N 0 3 367.446 1.377 20 5 FDBDHN Cc1c(NC(=O)CCN2CCc3nnc(N)cc3C2)cccc1[N+](=O)[O-] ZINC000377556537 537976314 /nfs/dbraw/zinc/97/63/14/537976314.db2.gz KBGSYKRMYIELAN-UHFFFAOYSA-N 0 3 356.386 1.662 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000378057484 538061642 /nfs/dbraw/zinc/06/16/42/538061642.db2.gz KAVFEOXIHCSJIE-UHFFFAOYSA-N 0 3 374.401 1.930 20 5 FDBDHN CCO[C@H]1C[C@](N)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000444135450 538120336 /nfs/dbraw/zinc/12/03/36/538120336.db2.gz CIHHUBBKYWODOV-YOEHRIQHSA-N 0 3 350.419 1.655 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000450481615 538131105 /nfs/dbraw/zinc/13/11/05/538131105.db2.gz BIPJBZBZNQXPDL-DYVFJYSZSA-N 0 3 355.398 1.947 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@](C)(F)C1 ZINC000420335148 538268232 /nfs/dbraw/zinc/26/82/32/538268232.db2.gz PGZRQTOHLYFYPK-INIZCTEOSA-N 0 3 354.382 1.565 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000441049225 538302632 /nfs/dbraw/zinc/30/26/32/538302632.db2.gz LIDXAWJWWVCGOK-RISCZKNCSA-N 0 3 364.402 1.341 20 5 FDBDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000452120686 538364267 /nfs/dbraw/zinc/36/42/67/538364267.db2.gz RTTODKGOJCCCHW-LBPRGKRZSA-N 0 3 364.402 1.677 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@]1(CO)CCOC1 ZINC000461369142 538512913 /nfs/dbraw/zinc/51/29/13/538512913.db2.gz ZIWJZGHXBZBQKA-INIZCTEOSA-N 0 3 353.375 1.015 20 5 FDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000461456692 538517576 /nfs/dbraw/zinc/51/75/76/538517576.db2.gz NTNDCLVENKRPDE-LSDHHAIUSA-N 0 3 355.398 1.912 20 5 FDBDHN C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000477124785 538601833 /nfs/dbraw/zinc/60/18/33/538601833.db2.gz FQSHTVFVVMSQIY-NWDGAFQWSA-N 0 3 356.448 1.740 20 5 FDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CN2CCN1CCC2 ZINC000482937107 538658062 /nfs/dbraw/zinc/65/80/62/538658062.db2.gz VDZOSHKLNSEPQA-OAHLLOKOSA-N 0 3 352.822 1.297 20 5 FDBDHN CCC(=O)N1CC[C@H](NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474344258 538834506 /nfs/dbraw/zinc/83/45/06/538834506.db2.gz HXOITRVLDIQIAB-ZDUSSCGKSA-N 0 3 365.386 1.247 20 5 FDBDHN CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000474705033 538845382 /nfs/dbraw/zinc/84/53/82/538845382.db2.gz BTZOMTNNYXEIKW-KBPBESRZSA-N 0 3 371.459 1.668 20 5 FDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000561786457 545952649 /nfs/dbraw/zinc/95/26/49/545952649.db2.gz GQGFMWSNXIPGDY-HNNXBMFYSA-N 0 3 367.471 1.931 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000561999878 546007953 /nfs/dbraw/zinc/00/79/53/546007953.db2.gz BUBMLXVIJSQSSG-ZFWWWQNUSA-N 0 3 374.441 1.685 20 5 FDBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000562984993 546341908 /nfs/dbraw/zinc/34/19/08/546341908.db2.gz NYBIAULZDSYOEN-GFCCVEGCSA-N 0 3 365.411 1.416 20 5 FDBDHN CN(C)CCn1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000564465949 546923907 /nfs/dbraw/zinc/92/39/07/546923907.db2.gz HMGROXRWFRHKFZ-UHFFFAOYSA-N 0 3 361.406 1.027 20 5 FDBDHN C[C@H]1C[C@@H]1N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000569303453 548866331 /nfs/dbraw/zinc/86/63/31/548866331.db2.gz LICZBZAIOGCDCH-XUJVJEKNSA-N 0 3 368.459 1.409 20 5 FDBDHN CC(C)C[C@@H](CN(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569450216 548921534 /nfs/dbraw/zinc/92/15/34/548921534.db2.gz WXFSVBMUUBPBIR-AWEZNQCLSA-N 0 3 357.476 1.934 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000569803143 549053422 /nfs/dbraw/zinc/05/34/22/549053422.db2.gz DNWHXMROKSVWQB-IKGGRYGDSA-N 0 3 364.377 1.801 20 5 FDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570044217 549139319 /nfs/dbraw/zinc/13/93/19/549139319.db2.gz BUTRBYYIQCHLFF-PSASIEDQSA-N 0 3 367.349 1.890 20 5 FDBDHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570044218 549139495 /nfs/dbraw/zinc/13/94/95/549139495.db2.gz BUTRBYYIQCHLFF-SCZZXKLOSA-N 0 3 367.349 1.890 20 5 FDBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570395444 549263571 /nfs/dbraw/zinc/26/35/71/549263571.db2.gz LCPPTONCIKYQQP-JGVFFNPUSA-N 0 3 366.237 1.761 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000570815031 549422994 /nfs/dbraw/zinc/42/29/94/549422994.db2.gz UGXYFZQIZWBABP-HNNXBMFYSA-N 0 3 373.331 1.800 20 5 FDBDHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571494782 549664323 /nfs/dbraw/zinc/66/43/23/549664323.db2.gz DNYOGJFNMFMZKC-SJLPKXTDSA-N 0 3 358.442 1.691 20 5 FDBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571494783 549664728 /nfs/dbraw/zinc/66/47/28/549664728.db2.gz DNYOGJFNMFMZKC-WMZOPIPTSA-N 0 3 358.442 1.691 20 5 FDBDHN CN(C)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000572305847 549886571 /nfs/dbraw/zinc/88/65/71/549886571.db2.gz BMGVFRBHMDWJNA-GFCCVEGCSA-N 0 3 352.782 1.259 20 5 FDBDHN O=C(NC[C@H]1CNCCO1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000574191151 550273648 /nfs/dbraw/zinc/27/36/48/550273648.db2.gz NWNRZLBIHBAZLV-GFCCVEGCSA-N 0 3 373.359 1.678 20 5 FDBDHN O=C([C@@H]1CNCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577815278 550697394 /nfs/dbraw/zinc/69/73/94/550697394.db2.gz HPOAUOIXQGPTTK-QGZVFWFLSA-N 0 3 367.409 1.525 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)Cc1ccc(O)cc1 ZINC000578507150 550771209 /nfs/dbraw/zinc/77/12/09/550771209.db2.gz FSIKQDGCBIJMJS-HOCLYGCPSA-N 0 3 362.382 1.233 20 5 FDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000578867344 550809895 /nfs/dbraw/zinc/80/98/95/550809895.db2.gz OJJKIUAFFLPDQY-OAHLLOKOSA-N 0 3 365.386 1.981 20 5 FDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1CCNCC1 ZINC000579100253 550835597 /nfs/dbraw/zinc/83/55/97/550835597.db2.gz VIMIUFGGRAXOJI-CYBMUJFWSA-N 0 3 352.460 1.487 20 5 FDBDHN CCN1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000579646158 550895401 /nfs/dbraw/zinc/89/54/01/550895401.db2.gz PMEVSUZEQFIVQW-ZDUSSCGKSA-N 0 3 351.403 1.673 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000581676208 551121255 /nfs/dbraw/zinc/12/12/55/551121255.db2.gz PDRFLQQWXAZXNL-HNNXBMFYSA-N 0 3 373.331 1.800 20 5 FDBDHN CC(C)(CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000582236799 551194785 /nfs/dbraw/zinc/19/47/85/551194785.db2.gz NHCMFNWSSAPFQP-UHFFFAOYSA-N 0 3 357.432 1.726 20 5 FDBDHN CN(C)CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000584359252 551485900 /nfs/dbraw/zinc/48/59/00/551485900.db2.gz WBTAWFRGQTUJII-UHFFFAOYSA-N 0 3 357.414 1.992 20 5 FDBDHN Cn1c2cc([N+](=O)[O-])c(N3CCC[C@H](N4CCCC4)C3)cc2n(C)c1=O ZINC000587313721 551631623 /nfs/dbraw/zinc/63/16/23/551631623.db2.gz NJLQEOXMTDDOCA-ZDUSSCGKSA-N 0 3 359.430 1.850 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590279922 551769553 /nfs/dbraw/zinc/76/95/53/551769553.db2.gz DZBQMBHCBYUBSA-BXUZGUMPSA-N 0 3 362.386 1.095 20 5 FDBDHN Cc1nn(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000590398900 551780373 /nfs/dbraw/zinc/78/03/73/551780373.db2.gz BRNITEPPYSQEBS-LSDHHAIUSA-N 0 3 365.434 1.120 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000590442783 551784882 /nfs/dbraw/zinc/78/48/82/551784882.db2.gz BEGJWUVYEITPIU-QAPCUYQASA-N 0 3 358.442 1.974 20 5 FDBDHN Cn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590446472 551785494 /nfs/dbraw/zinc/78/54/94/551785494.db2.gz UBISLVIPTROYAC-CZUORRHYSA-N 0 3 355.398 1.771 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000590539636 551789807 /nfs/dbraw/zinc/78/98/07/551789807.db2.gz WOKCORMNIHCWPL-SFHVURJKSA-N 0 3 365.430 1.587 20 5 FDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590564265 551793025 /nfs/dbraw/zinc/79/30/25/551793025.db2.gz ZCSJXXCODOTBFL-LSDHHAIUSA-N 0 3 359.386 1.406 20 5 FDBDHN Cc1cc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000591010777 551834886 /nfs/dbraw/zinc/83/48/86/551834886.db2.gz XHFJQTWXCRUULT-UHFFFAOYSA-N 0 3 369.381 1.586 20 5 FDBDHN O=C([C@H]1CNCCC1(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675196 551895630 /nfs/dbraw/zinc/89/56/30/551895630.db2.gz YMNYFPOGBPEHQX-GFCCVEGCSA-N 0 3 354.357 1.488 20 5 FDBDHN CC(C)(C)NS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591725175 551903588 /nfs/dbraw/zinc/90/35/88/551903588.db2.gz GBXBGWLZNHEYEF-UHFFFAOYSA-N 0 3 372.447 1.231 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592523742 552004632 /nfs/dbraw/zinc/00/46/32/552004632.db2.gz AJDSEWQSONMPFO-ZDUSSCGKSA-N 0 3 350.419 1.545 20 5 FDBDHN CCOc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898368 552040285 /nfs/dbraw/zinc/04/02/85/552040285.db2.gz GOKOEWOMOTYJPP-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000593051666 552056177 /nfs/dbraw/zinc/05/61/77/552056177.db2.gz MQOVSIASOJZNKM-UHFFFAOYSA-N 0 3 350.419 1.199 20 5 FDBDHN COCCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101238 552062531 /nfs/dbraw/zinc/06/25/31/552062531.db2.gz NZRVSZQBFLETBL-HNNXBMFYSA-N 0 3 367.446 1.377 20 5 FDBDHN CN(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593235690 552075332 /nfs/dbraw/zinc/07/53/32/552075332.db2.gz UONSLFKFPJNBPQ-UHFFFAOYSA-N 0 3 368.821 1.023 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000593720912 552182522 /nfs/dbraw/zinc/18/25/22/552182522.db2.gz MLCCJKNTMRSQOV-IAGOWNOFSA-N 0 3 369.425 1.924 20 5 FDBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1)OCCO2 ZINC000593733485 552186424 /nfs/dbraw/zinc/18/64/24/552186424.db2.gz VANGRUMWKULMTF-UHFFFAOYSA-N 0 3 371.415 1.034 20 5 FDBDHN CN(C)CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000593784221 552196799 /nfs/dbraw/zinc/19/67/99/552196799.db2.gz KKUWSMDYRHCOOA-UHFFFAOYSA-N 0 3 354.794 1.094 20 5 FDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594302403 552282841 /nfs/dbraw/zinc/28/28/41/552282841.db2.gz IGVDIRKKUXOPTG-AWEZNQCLSA-N 0 3 355.398 1.919 20 5 FDBDHN COc1cc(C(=O)N[C@H](CN)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000594451933 552313184 /nfs/dbraw/zinc/31/31/84/552313184.db2.gz UGXLAMVMXYHBFE-SECBINFHSA-N 0 3 373.234 1.824 20 5 FDBDHN CCC(C)(C)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000594594692 552338756 /nfs/dbraw/zinc/33/87/56/552338756.db2.gz PUUKLWSBXCEQBM-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000594713193 552361781 /nfs/dbraw/zinc/36/17/81/552361781.db2.gz YVGOVUPYAOMKIR-LRDDRELGSA-N 0 3 351.403 1.953 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000595089459 552448784 /nfs/dbraw/zinc/44/87/84/552448784.db2.gz IOLNBFJDAWNCSU-LLVKDONJSA-N 0 3 364.402 1.531 20 5 FDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@H]1F ZINC000595122184 552458073 /nfs/dbraw/zinc/45/80/73/552458073.db2.gz GPJXSASSUOXYGI-NXEZZACHSA-N 0 3 371.312 1.673 20 5 FDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595194173 552485758 /nfs/dbraw/zinc/48/57/58/552485758.db2.gz JXTWJRXWPZVCBJ-LBPRGKRZSA-N 0 3 350.375 1.142 20 5 FDBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC2(CCC2)C1 ZINC000595254117 552505917 /nfs/dbraw/zinc/50/59/17/552505917.db2.gz SVGZRLUHXOSXBR-UHFFFAOYSA-N 0 3 372.425 1.541 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000595411899 552554117 /nfs/dbraw/zinc/55/41/17/552554117.db2.gz PJAGHUAPLUKFRG-UHFFFAOYSA-N 0 3 354.432 1.390 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595636341 552596146 /nfs/dbraw/zinc/59/61/46/552596146.db2.gz XOHFZQUHQMWEGJ-FRFSOERESA-N 0 3 365.430 1.997 20 5 FDBDHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595828038 552620483 /nfs/dbraw/zinc/62/04/83/552620483.db2.gz HLBZYGNWBPCJMO-LSDHHAIUSA-N 0 3 363.414 1.279 20 5 FDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595848300 552622701 /nfs/dbraw/zinc/62/27/01/552622701.db2.gz GVORLPCLTQGGMK-BJHJDKERSA-N 0 3 365.386 1.815 20 5 FDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]C1 ZINC000596051557 552650097 /nfs/dbraw/zinc/65/00/97/552650097.db2.gz RCVZAQVGPDQDRF-LLVKDONJSA-N 0 3 364.221 1.388 20 5 FDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000596051878 552650107 /nfs/dbraw/zinc/65/01/07/552650107.db2.gz QGQSVZSVBWMECZ-VIFPVBQESA-N 0 3 361.729 1.758 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)cc1C ZINC000596050995 552650130 /nfs/dbraw/zinc/65/01/30/552650130.db2.gz KHABQLVDUVNFPU-LLVKDONJSA-N 0 3 355.338 1.722 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc3c2OC(F)(F)O3)c1 ZINC000596070694 552652199 /nfs/dbraw/zinc/65/21/99/552652199.db2.gz RRFFPXUUTUASQW-NSHDSACASA-N 0 3 356.285 1.264 20 5 FDBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CNC3)C2)cc1SC ZINC000596098805 552655083 /nfs/dbraw/zinc/65/50/83/552655083.db2.gz NKVUKQIUHUVHCQ-UHFFFAOYSA-N 0 3 353.400 1.140 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596174555 552662163 /nfs/dbraw/zinc/66/21/63/552662163.db2.gz IMXBJDCKEBYEDF-GFCCVEGCSA-N 0 3 353.810 1.562 20 5 FDBDHN CCC(C)(C)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596297777 552672020 /nfs/dbraw/zinc/67/20/20/552672020.db2.gz HZRLKVRZRSZTHD-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN C[C@@H](CN1CCC(C)CC1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596487636 552683422 /nfs/dbraw/zinc/68/34/22/552683422.db2.gz IWFGGMUFQRLBDF-LBPRGKRZSA-N 0 3 356.448 1.775 20 5 FDBDHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000597188702 552759433 /nfs/dbraw/zinc/75/94/33/552759433.db2.gz YNZZZADJDVVABB-RIEGTJTDSA-N 0 3 351.359 1.232 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597205676 552760323 /nfs/dbraw/zinc/76/03/23/552760323.db2.gz OJKOXEMGVCZDGD-UHFFFAOYSA-N 0 3 374.388 1.648 20 5 FDBDHN C[C@@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597574881 552806854 /nfs/dbraw/zinc/80/68/54/552806854.db2.gz SXCPYQJGKZEETI-PXAZEXFGSA-N 0 3 353.394 1.753 20 5 FDBDHN Cc1cc(OCC(=O)N2CCC[C@@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597574913 552806901 /nfs/dbraw/zinc/80/69/01/552806901.db2.gz UGOWDAWCVTTWRM-QGZVFWFLSA-N 0 3 351.403 1.197 20 5 FDBDHN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598040090 552859547 /nfs/dbraw/zinc/85/95/47/552859547.db2.gz CFNUBMQCBZHYDK-AWEZNQCLSA-N 0 3 358.402 1.732 20 5 FDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598186081 552873687 /nfs/dbraw/zinc/87/36/87/552873687.db2.gz KVEJDEZJMMLFQP-UHFFFAOYSA-N 0 3 368.459 1.165 20 5 FDBDHN CCCN1CC[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598341785 552887409 /nfs/dbraw/zinc/88/74/09/552887409.db2.gz GEVIBCPVGADNEA-NSHDSACASA-N 0 3 368.821 1.579 20 5 FDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596681 552913220 /nfs/dbraw/zinc/91/32/20/552913220.db2.gz SPNXTBLAMKGLFC-ZIAGYGMSSA-N 0 3 364.450 1.896 20 5 FDBDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598831212 552935889 /nfs/dbraw/zinc/93/58/89/552935889.db2.gz IJNCNGLSTJJZRW-MNOVXSKESA-N 0 3 363.292 1.937 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598902578 552942095 /nfs/dbraw/zinc/94/20/95/552942095.db2.gz PESHHBDJEPENQX-SWLSCSKDSA-N 0 3 361.402 1.269 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000599024401 552959037 /nfs/dbraw/zinc/95/90/37/552959037.db2.gz PEZMMQFRFQWISH-IUODEOHRSA-N 0 3 357.432 1.420 20 5 FDBDHN O=C1CC[C@H](N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)CCN1 ZINC000599087546 552965974 /nfs/dbraw/zinc/96/59/74/552965974.db2.gz KAFGZRDZLPODCZ-HNNXBMFYSA-N 0 3 369.425 1.934 20 5 FDBDHN NS(=O)(=O)c1cc(NC[C@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000599164758 552977495 /nfs/dbraw/zinc/97/74/95/552977495.db2.gz LVGGEXRPOMBEMU-CYBMUJFWSA-N 0 3 354.432 1.671 20 5 FDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639046 553109950 /nfs/dbraw/zinc/10/99/50/553109950.db2.gz WOWZLKVHBJPXMQ-SCLBCKFNSA-N 0 3 361.398 1.987 20 5 FDBDHN CNS(=O)(=O)C[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599692589 553123028 /nfs/dbraw/zinc/12/30/28/553123028.db2.gz KJXKFRPXQGGGOV-CQSZACIVSA-N 0 3 371.459 1.625 20 5 FDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1N(C)C ZINC000601135945 553351192 /nfs/dbraw/zinc/35/11/92/553351192.db2.gz TVULFZZXZLTANB-YUMQZZPRSA-N 0 3 353.370 1.829 20 5 FDBDHN Cc1cc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000601292926 553369903 /nfs/dbraw/zinc/36/99/03/553369903.db2.gz YJMQAGREJWLAHW-UHFFFAOYSA-N 0 3 368.440 1.871 20 5 FDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000601422200 553401398 /nfs/dbraw/zinc/40/13/98/553401398.db2.gz PQGCGXBQENUDNX-DGCLKSJQSA-N 0 3 364.427 1.856 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601539836 553432743 /nfs/dbraw/zinc/43/27/43/553432743.db2.gz PZKGJQSCYFCWSN-SFHVURJKSA-N 0 3 361.442 1.932 20 5 FDBDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602440202 553581883 /nfs/dbraw/zinc/58/18/83/553581883.db2.gz JXQWRXJPONHXMO-QGZVFWFLSA-N 0 3 354.410 1.943 20 5 FDBDHN CN1CC[C@@](O)(CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602612378 553611519 /nfs/dbraw/zinc/61/15/19/553611519.db2.gz PJKITJVUVNLCID-LLVKDONJSA-N 0 3 350.238 1.575 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000602770231 553634495 /nfs/dbraw/zinc/63/44/95/553634495.db2.gz WYZJVUHYQINQMC-IIAWOOMASA-N 0 3 351.451 1.673 20 5 FDBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000602873974 553656857 /nfs/dbraw/zinc/65/68/57/553656857.db2.gz LJDVOGFUDPNEMT-BETUJISGSA-N 0 3 350.419 1.956 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 ZINC000602945612 553676596 /nfs/dbraw/zinc/67/65/96/553676596.db2.gz ZBWIVGXHSYRHMP-CQSZACIVSA-N 0 3 364.377 1.835 20 5 FDBDHN COc1cc(CCNC(=O)N2CCCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000603801973 553815337 /nfs/dbraw/zinc/81/53/37/553815337.db2.gz JKXXJKGOYHPCQK-UHFFFAOYSA-N 0 3 366.418 1.502 20 5 FDBDHN C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000603930003 553831133 /nfs/dbraw/zinc/83/11/33/553831133.db2.gz BXPSXWFBCXJHHT-NWDGAFQWSA-N 0 3 356.448 1.775 20 5 FDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000608905318 554327986 /nfs/dbraw/zinc/32/79/86/554327986.db2.gz BYVBSRYDMIHCMR-INIZCTEOSA-N 0 3 360.414 1.411 20 5 FDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609383496 554373560 /nfs/dbraw/zinc/37/35/60/554373560.db2.gz QPKFPDQNWBUCAL-OAHLLOKOSA-N 0 3 355.398 1.995 20 5 FDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609530420 554387885 /nfs/dbraw/zinc/38/78/85/554387885.db2.gz QFCGVTJXKPCFLZ-OAHLLOKOSA-N 0 3 358.402 1.780 20 5 FDBDHN CN1CCC[C@H](N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000609686033 554411526 /nfs/dbraw/zinc/41/15/26/554411526.db2.gz FLFRBDQAESDZKQ-KRWDZBQOSA-N 0 3 361.446 1.516 20 5 FDBDHN C[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCN1C ZINC000610178048 554471184 /nfs/dbraw/zinc/47/11/84/554471184.db2.gz MEAABBMMWXBLFN-VXGBXAGGSA-N 0 3 374.397 1.132 20 5 FDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610892255 554576839 /nfs/dbraw/zinc/57/68/39/554576839.db2.gz WVFMOJKAYFKVTG-DOTOQJQBSA-N 0 3 374.441 1.657 20 5 FDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000611091967 554604230 /nfs/dbraw/zinc/60/42/30/554604230.db2.gz FAGQGRMPQRYOLO-CYBMUJFWSA-N 0 3 350.419 1.958 20 5 FDBDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000611234265 554618287 /nfs/dbraw/zinc/61/82/87/554618287.db2.gz YNKUHCNERBMAED-HNNXBMFYSA-N 0 3 355.460 1.931 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611711049 554669800 /nfs/dbraw/zinc/66/98/00/554669800.db2.gz RGZNWDSNVAPCHF-UHFFFAOYSA-N 0 3 372.429 1.528 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000618924250 555696602 /nfs/dbraw/zinc/69/66/02/555696602.db2.gz SFBCYLMITXQXSU-DYVFJYSZSA-N 0 3 367.471 1.991 20 5 FDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000619481951 555784622 /nfs/dbraw/zinc/78/46/22/555784622.db2.gz YHQMTLYVTUJODW-UHFFFAOYSA-N 0 3 357.432 1.566 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000619486330 555786489 /nfs/dbraw/zinc/78/64/89/555786489.db2.gz KBCBSMAZVPXSCA-ZDUSSCGKSA-N 0 3 350.423 1.038 20 5 FDBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619578184 555802189 /nfs/dbraw/zinc/80/21/89/555802189.db2.gz CDJBQCJVPYJYLT-HIFRSBDPSA-N 0 3 362.430 1.656 20 5 FDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000365212447 568324322 /nfs/dbraw/zinc/32/43/22/568324322.db2.gz AVTHBNJLVRYCOA-INIZCTEOSA-N 0 3 372.429 1.605 20 5 FDBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736143128 598336034 /nfs/dbraw/zinc/33/60/34/598336034.db2.gz ILWNXFQFPNEKRR-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736143128 598336036 /nfs/dbraw/zinc/33/60/36/598336036.db2.gz ILWNXFQFPNEKRR-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736143128 598336038 /nfs/dbraw/zinc/33/60/38/598336038.db2.gz ILWNXFQFPNEKRR-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736143128 598336040 /nfs/dbraw/zinc/33/60/40/598336040.db2.gz ILWNXFQFPNEKRR-LLVKDONJSA-N 0 3 361.406 1.056 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272556767 674456132 /nfs/dbraw/zinc/45/61/32/674456132.db2.gz RRHMXQBUSSRMJK-GFCCVEGCSA-N 0 3 371.459 1.954 20 5 FDBDHN O=[N+]([O-])c1cc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1-c1nnn[n-]1 ZINC000823634205 606645058 /nfs/dbraw/zinc/64/50/58/606645058.db2.gz CWJYHYWOWIXAMO-UHFFFAOYSA-N 0 3 373.417 1.324 20 5 FDBDHN COc1cccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065978403 671335892 /nfs/dbraw/zinc/33/58/92/671335892.db2.gz FXDRCDVQDWRRCJ-UHFFFAOYSA-N 0 3 365.411 1.672 20 5 FDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108618619 671616955 /nfs/dbraw/zinc/61/69/55/671616955.db2.gz VRUHZHUCXSXNMB-GFCCVEGCSA-N 0 3 366.805 1.787 20 5 FDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000178640926 672144992 /nfs/dbraw/zinc/14/49/92/672144992.db2.gz FJZJOFDRERWPOT-UHFFFAOYSA-N 0 3 353.444 1.889 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264628595 672919271 /nfs/dbraw/zinc/91/92/71/672919271.db2.gz NLZWKSFHXXTDIV-UHFFFAOYSA-N 0 3 354.838 1.958 20 5 FDBDHN CC(C)OCCN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267001743 673231616 /nfs/dbraw/zinc/23/16/16/673231616.db2.gz DBGAJYPLVMFUJX-UHFFFAOYSA-N 0 3 350.419 1.995 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281550913 675529583 /nfs/dbraw/zinc/52/95/83/675529583.db2.gz OACMYJOUEYNPRO-UHFFFAOYSA-N 0 3 357.432 1.710 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376348056 678282410 /nfs/dbraw/zinc/28/24/10/678282410.db2.gz FVPMTRAVDWTKEC-JSGCOSHPSA-N 0 3 369.443 1.851 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1F ZINC000412184560 679163166 /nfs/dbraw/zinc/16/31/66/679163166.db2.gz OGMSFGIMKKYISZ-MFKMUULPSA-N 0 3 351.378 1.884 20 5 FDBDHN COc1cc(CNC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415099983 679381248 /nfs/dbraw/zinc/38/12/48/679381248.db2.gz ZYTMZBQTZWMWPR-NSHDSACASA-N 0 3 361.345 1.325 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421296475 680646365 /nfs/dbraw/zinc/64/63/65/680646365.db2.gz JUBXQDKAMQSIMO-LBPRGKRZSA-N 0 3 350.375 1.095 20 5 FDBDHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000430640501 681088878 /nfs/dbraw/zinc/08/88/78/681088878.db2.gz KPSCIRSDOHIAAL-AWEZNQCLSA-N 0 3 366.849 1.892 20 5 FDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000475113448 685560129 /nfs/dbraw/zinc/56/01/29/685560129.db2.gz UPRMSHPATYSQLE-KCQAQPDRSA-N 0 3 350.371 1.349 20 5 FDBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472564406 685219863 /nfs/dbraw/zinc/21/98/63/685219863.db2.gz NJWJEYZAJLHBRO-NSHDSACASA-N 0 3 352.366 1.521 20 5 FDBDHN CS(=O)(=O)N1CC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000514073664 689721640 /nfs/dbraw/zinc/72/16/40/689721640.db2.gz AYGBSTGORCRGGK-ZDUSSCGKSA-N 0 3 353.444 1.841 20 5 FDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881007 721135964 /nfs/dbraw/zinc/13/59/64/721135964.db2.gz YTVHCHHDZSCIAI-CVEARBPZSA-N 0 3 370.413 1.447 20 5 FDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881010 721136315 /nfs/dbraw/zinc/13/63/15/721136315.db2.gz YTVHCHHDZSCIAI-JKSUJKDBSA-N 0 3 370.413 1.447 20 5 FDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881008 721137265 /nfs/dbraw/zinc/13/72/65/721137265.db2.gz YTVHCHHDZSCIAI-HOTGVXAUSA-N 0 3 370.413 1.447 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277564284 782614575 /nfs/dbraw/zinc/61/45/75/782614575.db2.gz PSSQSNMRVQXSQH-INIZCTEOSA-N 0 3 360.414 1.458 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430610799 777067066 /nfs/dbraw/zinc/06/70/66/777067066.db2.gz MGRCVKPHMZJZFB-CQSZACIVSA-N 0 3 362.430 1.247 20 5 FDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000389413412 785305339 /nfs/dbraw/zinc/30/53/39/785305339.db2.gz LUPRTYPUNLWLIL-BLLLJJGKSA-N 0 3 355.398 1.965 20 5 FDBDHN CNC(=O)NC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000412051728 791144802 /nfs/dbraw/zinc/14/48/02/791144802.db2.gz CRSCKRVRHGUPFO-UHFFFAOYSA-N 0 3 363.418 1.625 20 5 FDBDHN COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Cl ZINC001025775449 792009576 /nfs/dbraw/zinc/00/95/76/792009576.db2.gz AMVAIJVMCKZHMH-NMQNIBJMSA-N 0 3 365.817 1.560 20 5 FDBDHN COc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1Cl ZINC001025776384 792014596 /nfs/dbraw/zinc/01/45/96/792014596.db2.gz ATCRMXJFGUFZIW-VBTGVMJWSA-N 0 3 365.817 1.560 20 5 FDBDHN CC(COC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[N+](=O)[O-] ZINC000893047551 792652222 /nfs/dbraw/zinc/65/22/22/792652222.db2.gz NHNJDPYBGQVLJC-WRWORJQWSA-N 0 3 358.144 1.739 20 5 FDBDHN C[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000893048602 792655536 /nfs/dbraw/zinc/65/55/36/792655536.db2.gz SDLCEZMDTXKIKJ-OCCSQVGLSA-N 0 3 360.418 1.593 20 5 FDBDHN O=[N+]([O-])c1cccc2c(NCCCCN3CCN(CCO)CC3)ccnc21 ZINC000432318335 806971620 /nfs/dbraw/zinc/97/16/20/806971620.db2.gz AZDNQGPWTVDVHS-UHFFFAOYSA-N 0 3 373.457 1.945 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CCC3(O)CCC3)C2)nc1 ZINC001167778755 803657971 /nfs/dbraw/zinc/65/79/71/803657971.db2.gz KCGGAHJLEAJTEC-DZGCQCFKSA-N 0 3 350.419 1.532 20 5 FDBDHN Cc1cccnc1OC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000279287448 808708204 /nfs/dbraw/zinc/70/82/04/808708204.db2.gz PBDBOFNTJCVTCO-HNNXBMFYSA-N 0 3 361.402 1.399 20 5 FDBDHN CC1CCN(c2ccc(C(=O)NC[C@H]3CNCCO3)cc2[N+](=O)[O-])CC1 ZINC000423984824 815287332 /nfs/dbraw/zinc/28/73/32/815287332.db2.gz CGOZYTPDCJEWTF-OAHLLOKOSA-N 0 3 362.430 1.549 20 5 FDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000436720354 816681102 /nfs/dbraw/zinc/68/11/02/816681102.db2.gz IZLBIMVAHOUYPL-OAHLLOKOSA-N 0 3 370.409 1.666 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000507766621 819934172 /nfs/dbraw/zinc/93/41/72/819934172.db2.gz LXYGCEHWZVGULK-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729504869 819993221 /nfs/dbraw/zinc/99/32/21/819993221.db2.gz FHEIDAXHNVFDFX-JKSUJKDBSA-N 0 3 363.418 1.169 20 5 FDBDHN CN(CC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000281879750 826291639 /nfs/dbraw/zinc/29/16/39/826291639.db2.gz XDLQCYCZYHNEOU-UHFFFAOYSA-N 0 3 363.462 1.173 20 5 FDBDHN CC1(C)CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000897248592 827326920 /nfs/dbraw/zinc/32/69/20/827326920.db2.gz SKVMWHHDBWPTDJ-UHFFFAOYSA-N 0 3 350.423 1.365 20 5 FDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)C1CC1 ZINC000840880261 827706517 /nfs/dbraw/zinc/70/65/17/827706517.db2.gz CMZZQKBSCJFDMV-NSHDSACASA-N 0 3 355.416 1.479 20 5 FDBDHN CN1CCCC(C)(C)[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000447806856 828903849 /nfs/dbraw/zinc/90/38/49/828903849.db2.gz OULYXBFIGSAMPT-CYBMUJFWSA-N 0 3 356.448 1.775 20 5 FDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000452345551 830615530 /nfs/dbraw/zinc/61/55/30/830615530.db2.gz FIUHFCDYXNBYOF-OAHLLOKOSA-N 0 3 373.413 1.357 20 5 FDBDHN CNc1nc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000453148241 830877073 /nfs/dbraw/zinc/87/70/73/830877073.db2.gz JRXGSWHUXIXKMF-NXEZZACHSA-N 0 3 357.374 1.937 20 5 FDBDHN CC(C)n1cc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001029964732 831938678 /nfs/dbraw/zinc/93/86/78/831938678.db2.gz WSKJULBZDCNXDC-HZPDHXFCSA-N 0 3 364.450 1.195 20 5 FDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000843790657 835348297 /nfs/dbraw/zinc/34/82/97/835348297.db2.gz MTZRZCKVDZCUQK-UHFFFAOYSA-N 0 3 354.363 1.462 20 5 FDBDHN C[C@@H](O)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000865739157 839955280 /nfs/dbraw/zinc/95/52/80/839955280.db2.gz SRFRDIYTZQIRRS-RDDDGLTNSA-N 0 3 366.155 1.031 20 5 FDBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000484637509 850999390 /nfs/dbraw/zinc/99/93/90/850999390.db2.gz HCYJHHGQWWQYJZ-DETPVDSQSA-N 0 3 367.402 1.714 20 5 FDBDHN CCN1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000906544808 852994225 /nfs/dbraw/zinc/99/42/25/852994225.db2.gz IWVRBWOQTBHOTC-UHFFFAOYSA-N 0 3 358.402 1.402 20 5 FDBDHN COc1ccc(CC(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911937143 859164193 /nfs/dbraw/zinc/16/41/93/859164193.db2.gz PJEKVTBVTSVOSL-UHFFFAOYSA-N 0 3 351.403 1.061 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762874600 876864132 /nfs/dbraw/zinc/86/41/32/876864132.db2.gz VICMERWPZFTAHB-ZDUSSCGKSA-N 0 3 373.207 1.545 20 5 FDBDHN O=C(NCc1ccc(CNCc2nnc(C3CC3)[nH]2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816926 885151466 /nfs/dbraw/zinc/15/14/66/885151466.db2.gz WOAHRQVKVAMODA-HUUCEWRRSA-N 0 3 370.413 1.253 20 5 FDBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000498944250 886053255 /nfs/dbraw/zinc/05/32/55/886053255.db2.gz ZSCVLXAWOLAEGH-NEPJUHHUSA-N 0 3 364.402 1.677 20 5 FDBDHN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000373105764 887108540 /nfs/dbraw/zinc/10/85/40/887108540.db2.gz BVUOPUJOHNWYKL-GOEBONIOSA-N 0 3 360.414 1.948 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2nnc(N)cc2C1 ZINC000377560878 889954936 /nfs/dbraw/zinc/95/49/36/889954936.db2.gz RDXNHPGIQOQVQM-UHFFFAOYSA-N 0 3 356.386 1.662 20 5 FDBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842914952 907530974 /nfs/dbraw/zinc/53/09/74/907530974.db2.gz OHPXNJBCDKODFB-YUMQZZPRSA-N 0 3 366.237 1.761 20 5 FDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOCC3(CCOCC3)C2)c1 ZINC000273063198 911023409 /nfs/dbraw/zinc/02/34/09/911023409.db2.gz MWYTUEWPZISAGY-INIZCTEOSA-N 0 3 366.414 1.464 20 5 FDBDHN C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1=CCN(C)CC1 ZINC000273162263 911153315 /nfs/dbraw/zinc/15/33/15/911153315.db2.gz ZTTUEUAYCWQOSK-PXAZEXFGSA-N 0 3 358.398 1.854 20 5 FDBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000741718814 925829105 /nfs/dbraw/zinc/82/91/05/925829105.db2.gz FCEGTXFSFSOZOI-CYBMUJFWSA-N 0 3 365.386 1.347 20 5 FDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785797112 931624703 /nfs/dbraw/zinc/62/47/03/931624703.db2.gz UIMLLUDZINROJF-CABCVRRESA-N 0 3 360.414 1.762 20 5 FDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001130897763 940301131 /nfs/dbraw/zinc/30/11/31/940301131.db2.gz CEWACKMZMJHXDZ-LBPRGKRZSA-N 0 3 359.390 1.173 20 5 FDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001132137408 940965382 /nfs/dbraw/zinc/96/53/82/940965382.db2.gz JHVNXUPDIZHREB-AWEZNQCLSA-N 0 3 371.401 1.317 20 5 FDBDHN CC(COC(=O)c1ccc(Br)cc1-n1cncn1)[N+](=O)[O-] ZINC000813102100 941326072 /nfs/dbraw/zinc/32/60/72/941326072.db2.gz BBLKHYXWTNSMOW-QMMMGPOBSA-N 0 3 355.148 1.852 20 5 FDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)[N+](=O)[O-] ZINC000813104181 941326362 /nfs/dbraw/zinc/32/63/62/941326362.db2.gz XNRYXOWWTWNFDZ-QKCSRTOESA-N 0 3 352.391 1.317 20 5 FDBDHN CC(COC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813111609 941335277 /nfs/dbraw/zinc/33/52/77/941335277.db2.gz ISVYEXWOOUIYAS-MLGOLLRUSA-N 0 3 354.334 1.946 20 5 FDBDHN CC(COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] ZINC000813112706 941335922 /nfs/dbraw/zinc/33/59/22/941335922.db2.gz TYSBRGOEPIFMLC-SECBINFHSA-N 0 3 353.287 1.491 20 5 FDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC001170775119 941764695 /nfs/dbraw/zinc/76/46/95/941764695.db2.gz GCYYSPLZMTUYST-LBPRGKRZSA-N 0 3 366.374 1.386 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC001135670824 942319162 /nfs/dbraw/zinc/31/91/62/942319162.db2.gz ZPRASLJZGJHKQC-UHFFFAOYSA-N 0 3 354.382 1.110 20 5 FDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000818948007 943359225 /nfs/dbraw/zinc/35/92/25/943359225.db2.gz MDNDOXRVPAWDKD-MRXNPFEDSA-N 0 3 365.411 1.196 20 5 FDBDHN CN1CCN(c2ncccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981952 943370079 /nfs/dbraw/zinc/37/00/79/943370079.db2.gz ZRVJKMVPKTWDDW-GOSISDBHSA-N 0 3 371.441 1.565 20 5 FDBDHN CC(C)(C)OC(=O)N1CC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819079242 943432783 /nfs/dbraw/zinc/43/27/83/943432783.db2.gz SIJRAMGJWBFTDT-AWEZNQCLSA-N 0 3 367.402 1.543 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308053 943512276 /nfs/dbraw/zinc/51/22/76/943512276.db2.gz NBMWRTBEHWXAAO-HUUCEWRRSA-N 0 3 357.432 1.032 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961643 946097465 /nfs/dbraw/zinc/09/74/65/946097465.db2.gz HNFQWORABWIFQA-GFCCVEGCSA-N 0 3 350.423 1.325 20 5 FDBDHN Nc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000823994802 946143923 /nfs/dbraw/zinc/14/39/23/946143923.db2.gz ZGBDZLIASLPDSL-UHFFFAOYSA-N 0 3 363.418 1.753 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844034175 947633084 /nfs/dbraw/zinc/63/30/84/947633084.db2.gz KBMAHHRNWAZUEZ-SNVBAGLBSA-N 0 3 354.794 1.440 20 5 FDBDHN Cc1cc(Cl)c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000844150244 947807035 /nfs/dbraw/zinc/80/70/35/947807035.db2.gz YROKURNTRXFPEK-LLVKDONJSA-N 0 3 368.821 1.749 20 5 FDBDHN COCCN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845875493 950047308 /nfs/dbraw/zinc/04/73/08/950047308.db2.gz MUFLTXAUVOQTLR-XHBSWPGZSA-N 0 3 368.361 1.570 20 5 FDBDHN COCCn1cc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000282773630 952859241 /nfs/dbraw/zinc/85/92/41/952859241.db2.gz PBEUSFYTSGPLOC-ZDUSSCGKSA-N 0 3 361.402 1.945 20 5 FDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CC2 ZINC000773994915 961542943 /nfs/dbraw/zinc/54/29/43/961542943.db2.gz VCHOPILIJNNCAA-CQSZACIVSA-N 0 3 360.414 1.202 20 5 FDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N[C@@H]2COC[C@@H]2F)CC1 ZINC001173694783 962585558 /nfs/dbraw/zinc/58/55/58/962585558.db2.gz DPZISANVAWYULV-QWHCGFSZSA-N 0 3 373.406 1.074 20 5 FDBDHN Nc1cn(-c2cc([N+](=O)[O-])ccc2F)ccc1=NCCN1CCOCC1 ZINC001175734969 963277280 /nfs/dbraw/zinc/27/72/80/963277280.db2.gz ZNCVKEJCNQQKCJ-UHFFFAOYSA-N 0 3 361.377 1.340 20 5 FDBDHN Cc1nonc1CN1CCC2(CC1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000957547771 1013437920 /nfs/dbraw/zinc/43/79/20/1013437920.db2.gz PWSZPODGUXVATM-UKRRQHHQSA-N 0 3 363.418 1.248 20 5 FDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001180052655 965089477 /nfs/dbraw/zinc/08/94/77/965089477.db2.gz CPJGHSPUDPFZEO-ROUUACIJSA-N 0 3 372.425 1.676 20 5 FDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852570962 967434238 /nfs/dbraw/zinc/43/42/38/967434238.db2.gz YJENTHIRDGYPBA-UHFFFAOYSA-N 0 3 352.391 1.862 20 5 FDBDHN O=[N+]([O-])c1cn(CN2CCN(C3CCOCC3)CC2)nc1-c1ccccn1 ZINC000853500002 968056136 /nfs/dbraw/zinc/05/61/36/968056136.db2.gz HFPIVLAQXSLVKQ-UHFFFAOYSA-N 0 3 372.429 1.607 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000867357241 974779170 /nfs/dbraw/zinc/77/91/70/974779170.db2.gz IYHPRZVELADBCM-YOGCLGLASA-N 0 3 357.407 1.946 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000867357241 974779176 /nfs/dbraw/zinc/77/91/76/974779176.db2.gz IYHPRZVELADBCM-YOGCLGLASA-N 0 3 357.407 1.946 20 5 FDBDHN CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCC1(C)C ZINC000866112440 975411369 /nfs/dbraw/zinc/41/13/69/975411369.db2.gz AOKZCUIJPQLPPM-UHFFFAOYSA-N 0 3 350.423 1.142 20 5 FDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000850548844 978432109 /nfs/dbraw/zinc/43/21/09/978432109.db2.gz AZNMZWFSCCIDCM-NSHDSACASA-N 0 3 366.393 1.970 20 5 FDBDHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858498482 982081718 /nfs/dbraw/zinc/08/17/18/982081718.db2.gz QBJHKJORYDRKSO-ZLKJLUDKSA-N 0 3 356.448 1.688 20 5 FDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)cs1 ZINC000883372205 982101274 /nfs/dbraw/zinc/10/12/74/982101274.db2.gz QHSAFNZPJWUOOQ-OAHLLOKOSA-N 0 3 354.476 1.543 20 5 FDBDHN O=C(CN1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000860129385 983254371 /nfs/dbraw/zinc/25/43/71/983254371.db2.gz PRDIBGMOCRTMDS-POZUXBRTSA-N 0 3 374.441 1.089 20 5 FDBDHN COc1ccc(CC(=O)OC[C@]2(C)C[C@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861343720 983694638 /nfs/dbraw/zinc/69/46/38/983694638.db2.gz JJSWYKYGVODCFC-GUYCJALGSA-N 0 3 352.387 1.798 20 5 FDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000885889141 985758234 /nfs/dbraw/zinc/75/82/34/985758234.db2.gz YCRDETLZQBZDBN-CQSZACIVSA-N 0 3 351.378 1.646 20 5 FDBDHN COc1cnccc1N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000796575327 1015291724 /nfs/dbraw/zinc/29/17/24/1015291724.db2.gz LZLZEPOVFSLEDJ-QGZVFWFLSA-N 0 3 358.398 1.854 20 5 FDBDHN CCOC1CC2(C[C@H]2NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872252214 987542998 /nfs/dbraw/zinc/54/29/98/987542998.db2.gz YCZINVCYBYDCTG-OGVSOVDVSA-N 0 3 354.428 1.916 20 5 FDBDHN COc1cccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000363273490 989053896 /nfs/dbraw/zinc/05/38/96/989053896.db2.gz RIGHZRCYURRUAG-KRWDZBQOSA-N 0 3 358.398 1.950 20 5 FDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363395782 989160319 /nfs/dbraw/zinc/16/03/19/989160319.db2.gz NCJPVKAAGABBHD-QWHCGFSZSA-N 0 3 372.381 1.442 20 5 FDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000371500176 990480922 /nfs/dbraw/zinc/48/09/22/990480922.db2.gz LSLUDDAPCYKPQC-RYUDHWBXSA-N 0 3 371.340 1.789 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000372364476 991043227 /nfs/dbraw/zinc/04/32/27/991043227.db2.gz GBONLMYIYCLHCF-GFCCVEGCSA-N 0 3 360.374 1.471 20 5 FDBDHN O=C(c1ccc2c(c1)CNC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000470370923 993996312 /nfs/dbraw/zinc/99/63/12/993996312.db2.gz BKHXYYJNOMOOLJ-OAHLLOKOSA-N 0 3 353.382 1.920 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879144393 994573712 /nfs/dbraw/zinc/57/37/12/994573712.db2.gz MJUNUOUKBSIZJO-RISCZKNCSA-N 0 3 361.398 1.969 20 5 FDBDHN NC(=O)NC(=O)OCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271388097 999697506 /nfs/dbraw/zinc/69/75/06/999697506.db2.gz QRPBFLQOUJOFAS-UHFFFAOYSA-N 0 3 366.374 1.633 20 5 FDBDHN CN1CC[C@@H]2OCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285912538 999925084 /nfs/dbraw/zinc/92/50/84/999925084.db2.gz UAPNYHJXCGDBCS-SJORKVTESA-N 0 3 362.430 1.718 20 5 FDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292262018 1000224356 /nfs/dbraw/zinc/22/43/56/1000224356.db2.gz ROGDGIMDASWNLS-MZMPZRCHSA-N 0 3 373.409 1.582 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932474882 1004977991 /nfs/dbraw/zinc/97/79/91/1004977991.db2.gz OKQVBXKWQNKHOK-MSOLQXFVSA-N 0 3 360.458 1.794 20 5 FDBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000933250422 1005525843 /nfs/dbraw/zinc/52/58/43/1005525843.db2.gz DLDRPSVMCGOGCK-CVEARBPZSA-N 0 3 351.447 1.997 20 5 FDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261871 1005724480 /nfs/dbraw/zinc/72/44/80/1005724480.db2.gz SKTKHAPWBSABMG-COXVUDFISA-N 0 3 362.430 1.453 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778272605 1005808360 /nfs/dbraw/zinc/80/83/60/1005808360.db2.gz KCGCTHWYWHHOIZ-CYBMUJFWSA-N 0 3 370.400 1.829 20 5 FDBDHN COc1cc(C(=O)NCCCN2CCC(O)CC2)cc([N+](=O)[O-])c1C ZINC000191913093 178076585 /nfs/dbraw/zinc/07/65/85/178076585.db2.gz FKLMUKDZWHNEMN-UHFFFAOYSA-N 0 3 351.403 1.488 20 5 FDBDHN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000193668542 178175740 /nfs/dbraw/zinc/17/57/40/178175740.db2.gz WFVXZCLKWAINGQ-GJZGRUSLSA-N 0 3 354.794 1.783 20 5 FDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237326355 178307771 /nfs/dbraw/zinc/30/77/71/178307771.db2.gz UHCOYVHTKHKKHO-CYBMUJFWSA-N 0 3 357.432 1.789 20 5 FDBDHN CN1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245609258 178370353 /nfs/dbraw/zinc/37/03/53/178370353.db2.gz BCMRAGRFRPYQEJ-HZPDHXFCSA-N 0 3 358.402 1.536 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245964138 178392370 /nfs/dbraw/zinc/39/23/70/178392370.db2.gz VIVGZGWCDWKTQU-JKSUJKDBSA-N 0 3 367.471 1.883 20 5 FDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000512360083 538973328 /nfs/dbraw/zinc/97/33/28/538973328.db2.gz RQGZSXRGTDNQME-CQSZACIVSA-N 0 3 350.419 1.360 20 5 FDBDHN Nc1nc(NCc2ccc(CN3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000264235576 179057426 /nfs/dbraw/zinc/05/74/26/179057426.db2.gz IWYKGZBCHDUSPG-UHFFFAOYSA-N 0 3 358.402 1.536 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264812761 179208718 /nfs/dbraw/zinc/20/87/18/179208718.db2.gz XOYWYBAEACZKLX-UHFFFAOYSA-N 0 3 359.430 1.786 20 5 FDBDHN CN1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000265250980 179322632 /nfs/dbraw/zinc/32/26/32/179322632.db2.gz AWZCYTPLYVLUHR-UHFFFAOYSA-N 0 3 373.413 1.216 20 5 FDBDHN COc1ccc(CC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000523869580 539625664 /nfs/dbraw/zinc/62/56/64/539625664.db2.gz MJZUCNLZVJXFSC-OAHLLOKOSA-N 0 3 365.430 1.355 20 5 FDBDHN C[C@H]1CCN(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000524721153 539660408 /nfs/dbraw/zinc/66/04/08/539660408.db2.gz RRLAEFIBNHAMIA-NSHDSACASA-N 0 3 368.821 1.436 20 5 FDBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000524771654 539662245 /nfs/dbraw/zinc/66/22/45/539662245.db2.gz MWCKXCCIWCIWQY-AWEZNQCLSA-N 0 3 363.414 1.851 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268158659 180011859 /nfs/dbraw/zinc/01/18/59/180011859.db2.gz CIZQKBFHKVHFFR-XHDPSFHLSA-N 0 3 356.386 1.388 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268262765 180039172 /nfs/dbraw/zinc/03/91/72/180039172.db2.gz ZRAGIOWZMOMHPQ-DOMZBBRYSA-N 0 3 355.398 1.993 20 5 FDBDHN NCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000269233158 180249528 /nfs/dbraw/zinc/24/95/28/180249528.db2.gz DQXOKQJSDFUQQA-UHFFFAOYSA-N 0 3 360.439 1.926 20 5 FDBDHN CN(C)CCOc1cc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)ccn1 ZINC000274014891 181011904 /nfs/dbraw/zinc/01/19/04/181011904.db2.gz SKKWJTPBJMYURV-UHFFFAOYSA-N 0 3 359.346 1.225 20 5 FDBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440435656 538236556 /nfs/dbraw/zinc/23/65/56/538236556.db2.gz CRFIZXHYTFXHEF-UHFFFAOYSA-N 0 3 352.210 1.373 20 5 FDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530805394 540045717 /nfs/dbraw/zinc/04/57/17/540045717.db2.gz OVZMNNBOWXIVKJ-HXUWFJFHSA-N 0 3 369.421 1.891 20 5 FDBDHN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532398331 540159486 /nfs/dbraw/zinc/15/94/86/540159486.db2.gz DPZVPFZVKKVWPA-UHFFFAOYSA-N 0 3 350.356 1.922 20 5 FDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000274931811 181198302 /nfs/dbraw/zinc/19/83/02/181198302.db2.gz OHSBDEBMCWYICF-OAHLLOKOSA-N 0 3 357.414 1.969 20 5 FDBDHN CC(C)(O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000533023247 540195410 /nfs/dbraw/zinc/19/54/10/540195410.db2.gz LIYFBBYGEGHVGC-UHFFFAOYSA-N 0 3 351.403 1.446 20 5 FDBDHN CN1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000537235452 540704712 /nfs/dbraw/zinc/70/47/12/540704712.db2.gz JNZJCOPJFLYJRB-UHFFFAOYSA-N 0 3 356.382 1.900 20 5 FDBDHN COc1ccc(CCNCc2cccc([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000537672654 540759161 /nfs/dbraw/zinc/75/91/61/540759161.db2.gz TZBIYDDJFOPCEV-UHFFFAOYSA-N 0 3 365.411 1.583 20 5 FDBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@H]1CS(=O)(=O)CCO1 ZINC000537951151 540793542 /nfs/dbraw/zinc/79/35/42/540793542.db2.gz AFJBDFAFWKUSIY-CWRNSKLLSA-N 0 3 368.455 1.709 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539497860 540967064 /nfs/dbraw/zinc/96/70/64/540967064.db2.gz DAJLRJHVAQHYOA-OAHLLOKOSA-N 0 3 365.430 1.899 20 5 FDBDHN COC(CN(CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)OC ZINC000275600958 181364628 /nfs/dbraw/zinc/36/46/28/181364628.db2.gz KTHNZLHRHBKORZ-UHFFFAOYSA-N 0 3 373.381 1.366 20 5 FDBDHN Cc1c(Br)cc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000542457219 541408914 /nfs/dbraw/zinc/40/89/14/541408914.db2.gz CDDBBVQHLOQTBO-UHFFFAOYSA-N 0 3 374.235 1.974 20 5 FDBDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000544454465 541770365 /nfs/dbraw/zinc/77/03/65/541770365.db2.gz DRUBRAAVHZSZLL-XHDPSFHLSA-N 0 3 364.402 1.182 20 5 FDBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCOC1 ZINC000544471709 541772700 /nfs/dbraw/zinc/77/27/00/541772700.db2.gz AMVONNXQQCXRRH-WDEREUQCSA-N 0 3 351.359 1.667 20 5 FDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n(C2CCN(C)CC2)n1 ZINC000544811485 541835503 /nfs/dbraw/zinc/83/55/03/541835503.db2.gz ASJBSLJRZOHBFM-UHFFFAOYSA-N 0 3 359.390 1.596 20 5 FDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282422944 182008503 /nfs/dbraw/zinc/00/85/03/182008503.db2.gz IRHIZEXULHRFDS-LLVKDONJSA-N 0 3 352.366 1.581 20 5 FDBDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282725005 182048017 /nfs/dbraw/zinc/04/80/17/182048017.db2.gz HVKFHUAPFICOHY-CYBMUJFWSA-N 0 3 366.805 1.978 20 5 FDBDHN O=C(CCN1CC[C@H](NC(=O)NC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000546210045 542125265 /nfs/dbraw/zinc/12/52/65/542125265.db2.gz MVVSYXJFONRSQC-AWEZNQCLSA-N 0 3 361.402 1.459 20 5 FDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286191977 183010432 /nfs/dbraw/zinc/01/04/32/183010432.db2.gz BDVFBMUXMRZWLU-DGCLKSJQSA-N 0 3 354.432 1.305 20 5 FDBDHN CCCN(CCN1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000286244238 183023214 /nfs/dbraw/zinc/02/32/14/183023214.db2.gz OVEXEANMPOVDGX-UHFFFAOYSA-N 0 3 350.419 1.481 20 5 FDBDHN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000286458576 183071685 /nfs/dbraw/zinc/07/16/85/183071685.db2.gz USKYLDOPTPIPHI-KRWDZBQOSA-N 0 3 368.441 1.781 20 5 FDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286501468 183083175 /nfs/dbraw/zinc/08/31/75/183083175.db2.gz YGTMGSMWIKICKS-RYUDHWBXSA-N 0 3 354.432 1.305 20 5 FDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286632915 183115294 /nfs/dbraw/zinc/11/52/94/183115294.db2.gz AYOCBMPNAOVPMN-HIFRSBDPSA-N 0 3 370.413 1.874 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1N(C)C ZINC000294802603 184010151 /nfs/dbraw/zinc/01/01/51/184010151.db2.gz CGWGTDSVHWPDKM-HUUCEWRRSA-N 0 3 370.450 1.918 20 5 FDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCN(CCCO)C1 ZINC000295294070 184056070 /nfs/dbraw/zinc/05/60/70/184056070.db2.gz APHGDXMMUAANSA-OAHLLOKOSA-N 0 3 360.414 1.513 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000547275768 542296134 /nfs/dbraw/zinc/29/61/34/542296134.db2.gz JJUFYZLPBCZQRM-MRXNPFEDSA-N 0 3 362.411 1.515 20 5 FDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000118722359 258260422 /nfs/dbraw/zinc/26/04/22/258260422.db2.gz GBTIYQDUPWEGCI-UHFFFAOYSA-N 0 3 373.413 1.357 20 5 FDBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000172614321 258280859 /nfs/dbraw/zinc/28/08/59/258280859.db2.gz XMWWQBDHZASSPQ-WCQYABFASA-N 0 3 369.443 1.553 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000173263037 258294430 /nfs/dbraw/zinc/29/44/30/258294430.db2.gz HYAZGZLLVOGINO-OCCSQVGLSA-N 0 3 371.459 1.954 20 5 FDBDHN Cc1c(CNC(=O)C(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000550631684 543137957 /nfs/dbraw/zinc/13/79/57/543137957.db2.gz WFRQWMMEOKUCIR-UHFFFAOYSA-N 0 3 362.430 1.368 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1C ZINC000074357615 172079495 /nfs/dbraw/zinc/07/94/95/172079495.db2.gz PJBCFBARYOFYAV-UHFFFAOYSA-N 0 3 371.459 1.601 20 5 FDBDHN COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000079278612 172159983 /nfs/dbraw/zinc/15/99/83/172159983.db2.gz VAVRKEPPXABWSD-GFCCVEGCSA-N 0 3 357.432 1.614 20 5 FDBDHN COCCCN1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079940113 172168113 /nfs/dbraw/zinc/16/81/13/172168113.db2.gz BKZLECRPMBLLMA-UHFFFAOYSA-N 0 3 364.446 1.648 20 5 FDBDHN Cc1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000101696902 172340976 /nfs/dbraw/zinc/34/09/76/172340976.db2.gz BCESRFRLZYUJPK-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN Cc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000101696897 172341681 /nfs/dbraw/zinc/34/16/81/172341681.db2.gz BCESRFRLZYUJPK-MRXNPFEDSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1CN(CC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000131122379 173191016 /nfs/dbraw/zinc/19/10/16/173191016.db2.gz VUGQIARXRWKORH-RYUDHWBXSA-N 0 3 351.407 1.279 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134923281 173335187 /nfs/dbraw/zinc/33/51/87/173335187.db2.gz ZLXWIZGQUXQQPJ-CZUORRHYSA-N 0 3 357.414 1.879 20 5 FDBDHN O=[N+]([O-])c1cc(CN2CCN(C3CCOCC3)CC2)c2c(c1)COCO2 ZINC000175496363 174010256 /nfs/dbraw/zinc/01/02/56/174010256.db2.gz ILASNPDKTDOYID-UHFFFAOYSA-N 0 3 363.414 1.758 20 5 FDBDHN CN1CCN([C@H]2CCCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000176002044 174044290 /nfs/dbraw/zinc/04/42/90/174044290.db2.gz QSGZSFPOIHCBRN-SFHVURJKSA-N 0 3 360.458 1.766 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177108583 174106650 /nfs/dbraw/zinc/10/66/50/174106650.db2.gz KONLAXVMIYPOQT-YRGRVCCFSA-N 0 3 360.414 1.455 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177160325 174110601 /nfs/dbraw/zinc/11/06/01/174110601.db2.gz WISXIGIIXAAYAD-YPMHNXCESA-N 0 3 356.386 1.531 20 5 FDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177528853 174139256 /nfs/dbraw/zinc/13/92/56/174139256.db2.gz LEUFAYKETNSYIX-LLVKDONJSA-N 0 3 354.794 1.739 20 5 FDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000181447752 174226015 /nfs/dbraw/zinc/22/60/15/174226015.db2.gz HBHCEIIAWYVUNX-SUMWQHHRSA-N 0 3 373.413 1.630 20 5 FDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178823359 258336713 /nfs/dbraw/zinc/33/67/13/258336713.db2.gz RXKADMIFOZYDTR-GJZGRUSLSA-N 0 3 362.430 1.576 20 5 FDBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000178920554 258339586 /nfs/dbraw/zinc/33/95/86/258339586.db2.gz QKNAMJAHGSUAHX-SECBINFHSA-N 0 3 364.221 1.388 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000248458918 258399891 /nfs/dbraw/zinc/39/98/91/258399891.db2.gz NHIBKSMWXWNTMQ-CABCVRRESA-N 0 3 361.402 1.338 20 5 FDBDHN CCOc1cc(N2CCN(C(=O)/C=C/CN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000279802774 258582037 /nfs/dbraw/zinc/58/20/37/258582037.db2.gz MPDIZSQFUBSOEU-AATRIKPKSA-N 0 3 362.430 1.760 20 5 FDBDHN C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000553449483 543639052 /nfs/dbraw/zinc/63/90/52/543639052.db2.gz PVJUHJVVWFIASA-HIFRSBDPSA-N 0 3 361.446 1.156 20 5 FDBDHN CCN(CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000557382152 544285374 /nfs/dbraw/zinc/28/53/74/544285374.db2.gz KWIQFYWKSAHERB-UHFFFAOYSA-N 0 3 360.414 1.080 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301182987 259022616 /nfs/dbraw/zinc/02/26/16/259022616.db2.gz IMPMWHDAQQQRIM-UHFFFAOYSA-N 0 3 363.374 1.247 20 5 FDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)CN1CCC(C)CC1 ZINC000301515288 259028689 /nfs/dbraw/zinc/02/86/89/259028689.db2.gz CRLIMRQBGOMMGF-AWEZNQCLSA-N 0 3 350.419 1.459 20 5 FDBDHN CS(=O)(=O)c1cccc(N2CC[C@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC000301898424 259035969 /nfs/dbraw/zinc/03/59/69/259035969.db2.gz SBNODGYNFNTYEI-CYBMUJFWSA-N 0 3 353.444 1.920 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330952677 259170619 /nfs/dbraw/zinc/17/06/19/259170619.db2.gz LHYHXWPIIGIROI-UHTWSYAYSA-N 0 3 352.439 1.426 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000330952675 259170977 /nfs/dbraw/zinc/17/09/77/259170977.db2.gz LHYHXWPIIGIROI-DRZSPHRISA-N 0 3 352.439 1.426 20 5 FDBDHN COc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000332272934 259254432 /nfs/dbraw/zinc/25/44/32/259254432.db2.gz PWXRQVOHOCDUGX-STQMWFEESA-N 0 3 355.416 1.509 20 5 FDBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000365344996 259834851 /nfs/dbraw/zinc/83/48/51/259834851.db2.gz PUPQYMNHYGPBFX-IEBWSBKVSA-N 0 3 374.441 1.401 20 5 FDBDHN N[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000367690562 260078194 /nfs/dbraw/zinc/07/81/94/260078194.db2.gz SHLHHKAFRPTKKC-HOTGVXAUSA-N 0 3 365.386 1.849 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369354292 260347111 /nfs/dbraw/zinc/34/71/11/260347111.db2.gz KXKRGPFMIWTUKA-AHKGRUIUSA-N 0 3 358.442 1.846 20 5 FDBDHN CCCc1n[nH]c(C(=O)N2CCCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000369566838 260391319 /nfs/dbraw/zinc/39/13/19/260391319.db2.gz FJLDKMSNGWKXFX-UHFFFAOYSA-N 0 3 353.423 1.455 20 5 FDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000369566838 260391320 /nfs/dbraw/zinc/39/13/20/260391320.db2.gz FJLDKMSNGWKXFX-UHFFFAOYSA-N 0 3 353.423 1.455 20 5 FDBDHN O=[N+]([O-])c1ccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000369904469 260451413 /nfs/dbraw/zinc/45/14/13/260451413.db2.gz MJMHMQWUYAMLSX-HNNXBMFYSA-N 0 3 353.444 1.336 20 5 FDBDHN CC1CCN(CCNC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000370432150 260546288 /nfs/dbraw/zinc/54/62/88/260546288.db2.gz ZOGNENYAKLCCPQ-OAHLLOKOSA-N 0 3 364.450 1.870 20 5 FDBDHN NC(=O)c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000374365081 261117804 /nfs/dbraw/zinc/11/78/04/261117804.db2.gz JLHXHBRNUJKAAC-HZPDHXFCSA-N 0 3 370.409 1.741 20 5 FDBDHN O=C1[C@H](N2CCC[C@H](c3nc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374551429 261151998 /nfs/dbraw/zinc/15/19/98/261151998.db2.gz XDNIEKODTOAEOH-SWLSCSKDSA-N 0 3 356.386 1.698 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2COc2ccc(F)cc2)c1 ZINC000374623838 261165648 /nfs/dbraw/zinc/16/56/48/261165648.db2.gz XLLLENMFDHHAEC-GDBMZVCRSA-N 0 3 364.377 1.835 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000375036955 261253491 /nfs/dbraw/zinc/25/34/91/261253491.db2.gz ILVGRBYPVZFXAK-GUYCJALGSA-N 0 3 355.398 1.947 20 5 FDBDHN CN1CC[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000375039757 261254379 /nfs/dbraw/zinc/25/43/79/261254379.db2.gz NKZCKKCVINCPTH-FZMZJTMJSA-N 0 3 362.386 1.288 20 5 FDBDHN O=C([C@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCCC1 ZINC000378400997 262017969 /nfs/dbraw/zinc/01/79/69/262017969.db2.gz JXDWKKBRMGLGBX-OAHLLOKOSA-N 0 3 361.446 1.906 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378402913 262018729 /nfs/dbraw/zinc/01/87/29/262018729.db2.gz XKEQIKZIRVTXNJ-NSHDSACASA-N 0 3 369.381 1.393 20 5 FDBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270553677 674227194 /nfs/dbraw/zinc/22/71/94/674227194.db2.gz BWCBRRBWQGWXSA-KCPJHIHWSA-N 0 3 352.460 1.899 20 5 FDBDHN CCOC(=O)c1ccnc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000270922024 674286915 /nfs/dbraw/zinc/28/69/15/674286915.db2.gz ATXUOUSJZLBDOR-NWDGAFQWSA-N 0 3 354.432 1.648 20 5 FDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000271127385 674312658 /nfs/dbraw/zinc/31/26/58/674312658.db2.gz MCYZLVFEPORRFC-TZMCWYRMSA-N 0 3 369.443 1.730 20 5 FDBDHN CNc1nccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000519649250 490981895 /nfs/dbraw/zinc/98/18/95/490981895.db2.gz NUGXFSDQZUACRT-UHFFFAOYSA-N 0 3 364.450 1.177 20 5 FDBDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000015131492 518710413 /nfs/dbraw/zinc/71/04/13/518710413.db2.gz GLUZQCDHJQWPLC-MRXNPFEDSA-N 0 3 364.427 1.957 20 5 FDBDHN CCN1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000028439415 519237432 /nfs/dbraw/zinc/23/74/32/519237432.db2.gz LPQCTPJEUWQBDV-UHFFFAOYSA-N 0 3 372.429 1.880 20 5 FDBDHN Cc1c(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000041321916 519651904 /nfs/dbraw/zinc/65/19/04/519651904.db2.gz HQDPGJWCAQIPMJ-CYBMUJFWSA-N 0 3 350.419 1.934 20 5 FDBDHN CCCNC(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000042686964 521763055 /nfs/dbraw/zinc/76/30/55/521763055.db2.gz WVQBSHSMOWLIDI-INIZCTEOSA-N 0 3 365.430 1.573 20 5 FDBDHN CCN1CCN(CCCNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069381965 521867004 /nfs/dbraw/zinc/86/70/04/521867004.db2.gz FVGAPTCGDPYBPJ-UHFFFAOYSA-N 0 3 364.446 1.290 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069505265 521894156 /nfs/dbraw/zinc/89/41/56/521894156.db2.gz HOXRJUOLOKJSML-MRXNPFEDSA-N 0 3 373.413 1.621 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000072634655 522341305 /nfs/dbraw/zinc/34/13/05/522341305.db2.gz XTJWOHFUXYDEBA-UHFFFAOYSA-N 0 3 355.394 1.961 20 5 FDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCN1CCCCCC1 ZINC000073014287 522448583 /nfs/dbraw/zinc/44/85/83/522448583.db2.gz RRQFZHQXVWFNOL-UHFFFAOYSA-N 0 3 363.414 1.901 20 5 FDBDHN CCCCN(C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073093483 522464863 /nfs/dbraw/zinc/46/48/63/522464863.db2.gz CBBYBOQFJJKRBV-UHFFFAOYSA-N 0 3 351.403 1.757 20 5 FDBDHN CCN(CC)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048322024 522714097 /nfs/dbraw/zinc/71/40/97/522714097.db2.gz WKFJFUXYKKHYJC-LBPRGKRZSA-N 0 3 352.420 1.447 20 5 FDBDHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000050997092 522960676 /nfs/dbraw/zinc/96/06/76/522960676.db2.gz YIVNWBNYUYPRPF-HOCLYGCPSA-N 0 3 365.430 1.573 20 5 FDBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000066725820 523181336 /nfs/dbraw/zinc/18/13/36/523181336.db2.gz DMDBSKSIXYPCRZ-UHFFFAOYSA-N 0 3 372.425 1.867 20 5 FDBDHN C[C@H]1CCCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067137336 523332381 /nfs/dbraw/zinc/33/23/81/523332381.db2.gz PXCYPVYNNLOWJN-ZDUSSCGKSA-N 0 3 358.402 1.780 20 5 FDBDHN CC(C)(C)CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000077525706 523373926 /nfs/dbraw/zinc/37/39/26/523373926.db2.gz XDUOCEHJEXWAMX-UHFFFAOYSA-N 0 3 370.475 1.800 20 5 FDBDHN CN(C)CCn1nnnc1SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000077557490 523385307 /nfs/dbraw/zinc/38/53/07/523385307.db2.gz UQXJSISHRADSEK-UHFFFAOYSA-N 0 3 352.420 1.704 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067301577 523385575 /nfs/dbraw/zinc/38/55/75/523385575.db2.gz FQYIZYWNVYHELN-HNNXBMFYSA-N 0 3 374.401 1.016 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000081995322 524203733 /nfs/dbraw/zinc/20/37/33/524203733.db2.gz SVPMMDUHPHMSQH-UHFFFAOYSA-N 0 3 353.423 1.187 20 5 FDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121487795 524272681 /nfs/dbraw/zinc/27/26/81/524272681.db2.gz JECYFDROTWMTAO-GFCCVEGCSA-N 0 3 350.419 1.997 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCC2)C1 ZINC000111597130 524307064 /nfs/dbraw/zinc/30/70/64/524307064.db2.gz DYBMFMAPRDWNTP-ZDUSSCGKSA-N 0 3 356.382 1.747 20 5 FDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111599552 524307142 /nfs/dbraw/zinc/30/71/42/524307142.db2.gz RJNVNVLAZVRDQZ-CYBMUJFWSA-N 0 3 374.397 1.277 20 5 FDBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000144480415 524389744 /nfs/dbraw/zinc/38/97/44/524389744.db2.gz GMRHDMFORBLNLP-GJZGRUSLSA-N 0 3 365.430 1.837 20 5 FDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000122417989 524531628 /nfs/dbraw/zinc/53/16/28/524531628.db2.gz WNXNKUDABICJTG-RISCZKNCSA-N 0 3 357.407 1.839 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112916863 524593169 /nfs/dbraw/zinc/59/31/69/524593169.db2.gz UBSRUEQJUXUIJL-CYBMUJFWSA-N 0 3 359.430 1.832 20 5 FDBDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090522886 524601941 /nfs/dbraw/zinc/60/19/41/524601941.db2.gz VNYQVQBSSPQWQN-CQSZACIVSA-N 0 3 364.446 1.629 20 5 FDBDHN O=C(Nc1ccccc1)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174708490 524699166 /nfs/dbraw/zinc/69/91/66/524699166.db2.gz UEEDAMKQEJHAEF-QGZVFWFLSA-N 0 3 373.413 1.503 20 5 FDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000174802840 524743660 /nfs/dbraw/zinc/74/36/60/524743660.db2.gz BZDQXNYARFLKSZ-INIZCTEOSA-N 0 3 365.430 1.131 20 5 FDBDHN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114380027 524781844 /nfs/dbraw/zinc/78/18/44/524781844.db2.gz SNIZFEAGUASWDN-HNNXBMFYSA-N 0 3 364.446 1.363 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160023317 524791993 /nfs/dbraw/zinc/79/19/93/524791993.db2.gz VXSWIDAGCOIBKZ-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160023317 524792004 /nfs/dbraw/zinc/79/20/04/524792004.db2.gz VXSWIDAGCOIBKZ-UHFFFAOYSA-N 0 3 372.429 1.385 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000123688154 524809468 /nfs/dbraw/zinc/80/94/68/524809468.db2.gz CYNJLZCGNNPQCT-BETUJISGSA-N 0 3 350.419 1.917 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152454733 524891367 /nfs/dbraw/zinc/89/13/67/524891367.db2.gz RYXGPAAHXPVFOF-NADMHLTPSA-N 0 3 372.425 1.373 20 5 FDBDHN O=C(NCC1CCN(CCO)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160636569 524935992 /nfs/dbraw/zinc/93/59/92/524935992.db2.gz HURKKRQPNDBCML-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN CCNC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000152657273 524962820 /nfs/dbraw/zinc/96/28/20/524962820.db2.gz VAKHJJYAPGRLNR-OAHLLOKOSA-N 0 3 372.429 1.889 20 5 FDBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000161385593 525097640 /nfs/dbraw/zinc/09/76/40/525097640.db2.gz ZEFNZXQSNRBCPV-HNNXBMFYSA-N 0 3 357.414 1.691 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2CCN(CCO)CC2)c1C ZINC000161386138 525097697 /nfs/dbraw/zinc/09/76/97/525097697.db2.gz GRQBFUUKKMBTRR-UHFFFAOYSA-N 0 3 371.459 1.194 20 5 FDBDHN CCN1CCC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161576518 525131708 /nfs/dbraw/zinc/13/17/08/525131708.db2.gz VNRMDVDHDXQZQK-HNNXBMFYSA-N 0 3 355.460 1.789 20 5 FDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C1CCOCC1 ZINC000153669665 525282299 /nfs/dbraw/zinc/28/22/99/525282299.db2.gz WJSRILNZNBTNHK-QGZVFWFLSA-N 0 3 362.430 1.766 20 5 FDBDHN O=C(CN1CC[C@@]2(CCOC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000153738822 525306325 /nfs/dbraw/zinc/30/63/25/525306325.db2.gz GVIYMQDJPVYKCY-LJQANCHMSA-N 0 3 374.441 1.356 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103492257 525361578 /nfs/dbraw/zinc/36/15/78/525361578.db2.gz KXUCUMHMNGAZBB-UHFFFAOYSA-N 0 3 364.446 1.460 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000128001181 525492005 /nfs/dbraw/zinc/49/20/05/525492005.db2.gz YBNOQEDIPCVYOW-INIZCTEOSA-N 0 3 364.446 1.726 20 5 FDBDHN CN1CCC[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164690667 525524959 /nfs/dbraw/zinc/52/49/59/525524959.db2.gz VIVGZGWCDWKTQU-HOTGVXAUSA-N 0 3 367.471 1.883 20 5 FDBDHN CC(C)NS(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000180466773 525709829 /nfs/dbraw/zinc/70/98/29/525709829.db2.gz VWHHXQVLVXLJJY-OAHLLOKOSA-N 0 3 355.460 1.833 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119872593 525892420 /nfs/dbraw/zinc/89/24/20/525892420.db2.gz MBNQRKUQYICAHC-CZUORRHYSA-N 0 3 360.414 1.232 20 5 FDBDHN COCCN(C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171212925 525900291 /nfs/dbraw/zinc/90/02/91/525900291.db2.gz NWXGRMQOJHZXLL-UHFFFAOYSA-N 0 3 365.434 1.005 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171448989 525997927 /nfs/dbraw/zinc/99/79/27/525997927.db2.gz KOVGBNQYBMPQTI-XJKSGUPXSA-N 0 3 360.414 1.410 20 5 FDBDHN CN1CCC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000182253777 526112650 /nfs/dbraw/zinc/11/26/50/526112650.db2.gz MSIGPBUWBBDMPB-PBHICJAKSA-N 0 3 367.471 1.785 20 5 FDBDHN CCc1n[nH]c(C(=O)NCc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000171803925 526129389 /nfs/dbraw/zinc/12/93/89/526129389.db2.gz HLMOPACKYGQMGC-UHFFFAOYSA-N 0 3 361.402 1.751 20 5 FDBDHN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000182736188 535855890 /nfs/dbraw/zinc/85/58/90/535855890.db2.gz ZPVHHXHUUPCEHV-LBPRGKRZSA-N 0 3 366.805 1.883 20 5 FDBDHN C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C1CC1 ZINC000182768474 535860573 /nfs/dbraw/zinc/86/05/73/535860573.db2.gz GTAXTYANZQRUJY-SECBINFHSA-N 0 3 354.794 1.786 20 5 FDBDHN O=C(CCN1CCC2(CC1)OCCO2)Nc1cc([N+](=O)[O-])ccc1F ZINC000185183995 536201771 /nfs/dbraw/zinc/20/17/71/536201771.db2.gz HUTCOPAAVYKHNB-UHFFFAOYSA-N 0 3 353.350 1.901 20 5 FDBDHN Cn1c2ccccc2nc1C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186577291 536237572 /nfs/dbraw/zinc/23/75/72/536237572.db2.gz SDQDDZMICNXOEY-CYBMUJFWSA-N 0 3 358.402 1.564 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000187345395 536262690 /nfs/dbraw/zinc/26/26/90/536262690.db2.gz HEOOAEFBNLAOSC-GFCCVEGCSA-N 0 3 373.500 1.994 20 5 FDBDHN CCN(CC)CCN(CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267241256 536965059 /nfs/dbraw/zinc/96/50/59/536965059.db2.gz BOSRGEQNPQBGOZ-UHFFFAOYSA-N 0 3 352.435 1.824 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000246626749 536992963 /nfs/dbraw/zinc/99/29/63/536992963.db2.gz ALNRVHZBYRIFAX-MSOLQXFVSA-N 0 3 360.414 1.833 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000267856184 537000160 /nfs/dbraw/zinc/00/01/60/537000160.db2.gz XSWWQONIGGFNBQ-GFCCVEGCSA-N 0 3 350.375 1.095 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247083402 537079911 /nfs/dbraw/zinc/07/99/11/537079911.db2.gz OYNWPLRBAHTAHW-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN CS(=O)(=O)N1CC(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000189706262 537084241 /nfs/dbraw/zinc/08/42/41/537084241.db2.gz MXCHVCUGVNUYDK-UHFFFAOYSA-N 0 3 365.358 1.177 20 5 FDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000247331197 537109780 /nfs/dbraw/zinc/10/97/80/537109780.db2.gz IRELOJZJCKWJHW-WCQYABFASA-N 0 3 362.386 1.301 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247553591 537132825 /nfs/dbraw/zinc/13/28/25/537132825.db2.gz QEAWLPASDWLMSM-OFQRWUPVSA-N 0 3 367.450 1.169 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190168980 537148759 /nfs/dbraw/zinc/14/87/59/537148759.db2.gz ABPYBXIRPNMPSN-CYBMUJFWSA-N 0 3 365.434 1.462 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248441229 537182224 /nfs/dbraw/zinc/18/22/24/537182224.db2.gz VAIIPMFQZDWGKQ-ZFWWWQNUSA-N 0 3 362.430 1.574 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000248972712 537223333 /nfs/dbraw/zinc/22/33/33/537223333.db2.gz DKYMBYMKBAHQEP-DAXOMENPSA-N 0 3 368.340 1.550 20 5 FDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCN1C1CCOCC1 ZINC000278199871 537279264 /nfs/dbraw/zinc/27/92/64/537279264.db2.gz SBPVWOSAWPMHAE-INIZCTEOSA-N 0 3 373.413 1.731 20 5 FDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(C3CCCC3)CC2)c1 ZINC000298812552 537329406 /nfs/dbraw/zinc/32/94/06/537329406.db2.gz ZBKADGMTBRQAJK-UHFFFAOYSA-N 0 3 354.432 1.307 20 5 FDBDHN COc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272774124 537335818 /nfs/dbraw/zinc/33/58/18/537335818.db2.gz CRFVOJHJQQLVPV-CYBMUJFWSA-N 0 3 365.434 1.608 20 5 FDBDHN CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1N(C)C ZINC000271158634 537407401 /nfs/dbraw/zinc/40/74/01/537407401.db2.gz RJEYGDYBLYUXQP-UONOGXRCSA-N 0 3 357.407 1.617 20 5 FDBDHN C[C@H]1CN(CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290837309 537418079 /nfs/dbraw/zinc/41/80/79/537418079.db2.gz VKEGSIUQGFHVJV-RYUDHWBXSA-N 0 3 351.407 1.390 20 5 FDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000299349555 537552969 /nfs/dbraw/zinc/55/29/69/537552969.db2.gz OVQGGGGBXDXVII-UHFFFAOYSA-N 0 3 369.425 1.841 20 5 FDBDHN NC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237807813 537640903 /nfs/dbraw/zinc/64/09/03/537640903.db2.gz QHRPMSBDQDADRV-HOCLYGCPSA-N 0 3 355.398 1.745 20 5 FDBDHN COc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291607465 537641485 /nfs/dbraw/zinc/64/14/85/537641485.db2.gz APHCRTHYPOLNJK-HNNXBMFYSA-N 0 3 355.416 1.320 20 5 FDBDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294339896 537685071 /nfs/dbraw/zinc/68/50/71/537685071.db2.gz PISZWEOISYJFIH-WCQYABFASA-N 0 3 368.459 1.784 20 5 FDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000285404515 537703284 /nfs/dbraw/zinc/70/32/84/537703284.db2.gz UHEICSNALMELHG-XJKSGUPXSA-N 0 3 353.444 1.983 20 5 FDBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CN1 ZINC000371313416 537813653 /nfs/dbraw/zinc/81/36/53/537813653.db2.gz LHGJHHBZWWJQMG-BLLLJJGKSA-N 0 3 361.398 1.952 20 5 FDBDHN NC(=O)c1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000411974922 537919392 /nfs/dbraw/zinc/91/93/92/537919392.db2.gz ZJJXBKJFHVZPEY-LJQANCHMSA-N 0 3 368.393 1.323 20 5 FDBDHN O=C1[C@H](N[C@H]2CCC(=O)N[C@@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367055291 537927480 /nfs/dbraw/zinc/92/74/80/537927480.db2.gz OYWUNPORIXYBMA-ZMSDIMECSA-N 0 3 358.398 1.347 20 5 FDBDHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419157880 537963851 /nfs/dbraw/zinc/96/38/51/537963851.db2.gz WXHGIWRDGSKVMQ-LOWVWBTDSA-N 0 3 364.402 1.001 20 5 FDBDHN CCN(CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000369632439 538028894 /nfs/dbraw/zinc/02/88/94/538028894.db2.gz XECQGAIYRUHDFW-UHFFFAOYSA-N 0 3 350.423 1.622 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432305777 538136330 /nfs/dbraw/zinc/13/63/30/538136330.db2.gz DOHXJFWFRAEEMN-UHFFFAOYSA-N 0 3 369.425 1.887 20 5 FDBDHN CN(C)C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000445867685 538259388 /nfs/dbraw/zinc/25/93/88/538259388.db2.gz XNXJWPJHCYRVGC-UHFFFAOYSA-N 0 3 361.446 1.911 20 5 FDBDHN COc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000446382211 538293297 /nfs/dbraw/zinc/29/32/97/538293297.db2.gz ALKFVGOBHZSTGE-CDHAZOANSA-N 0 3 363.414 1.752 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000446385157 538294437 /nfs/dbraw/zinc/29/44/37/538294437.db2.gz ZLGBOQUFBUDZLH-JCKWVBRZSA-N 0 3 363.414 1.752 20 5 FDBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447243916 538361011 /nfs/dbraw/zinc/36/10/11/538361011.db2.gz BVNAIJLNEHIMOM-SSDOTTSWSA-N 0 3 352.210 1.230 20 5 FDBDHN CCOc1cc(C(=O)N[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449668837 538426640 /nfs/dbraw/zinc/42/66/40/538426640.db2.gz XCHHADKDYINZKL-CYBMUJFWSA-N 0 3 359.329 1.729 20 5 FDBDHN CN(C)CCOCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471643649 538530281 /nfs/dbraw/zinc/53/02/81/538530281.db2.gz JUHPRYWXDIXOAB-UHFFFAOYSA-N 0 3 365.434 1.005 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000495697645 538681642 /nfs/dbraw/zinc/68/16/42/538681642.db2.gz VRPFGKWYDQSECW-CQSZACIVSA-N 0 3 364.446 1.607 20 5 FDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000489740325 538837982 /nfs/dbraw/zinc/83/79/82/538837982.db2.gz FTEGZXLMNCBFGF-YDHLFZDLSA-N 0 3 350.423 1.163 20 5 FDBDHN Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000563130062 546417861 /nfs/dbraw/zinc/41/78/61/546417861.db2.gz PYKJOYAASYLTTH-LLVKDONJSA-N 0 3 369.777 1.832 20 5 FDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000564454076 546920028 /nfs/dbraw/zinc/92/00/28/546920028.db2.gz MFFRGACHJROLEV-OAHLLOKOSA-N 0 3 360.414 1.792 20 5 FDBDHN C[C@@]1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000565065332 547184412 /nfs/dbraw/zinc/18/44/12/547184412.db2.gz RLTQTCCRNUSZBC-GOSISDBHSA-N 0 3 372.429 1.755 20 5 FDBDHN O=C([C@@H]1CCCCN1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000566248322 547682778 /nfs/dbraw/zinc/68/27/78/547682778.db2.gz AMNGFEGCFUILTK-HNNXBMFYSA-N 0 3 372.429 1.652 20 5 FDBDHN CN(C)CCNC(=O)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569033438 548774068 /nfs/dbraw/zinc/77/40/68/548774068.db2.gz PPYBMAHZUKJQRG-UHFFFAOYSA-N 0 3 374.445 1.361 20 5 FDBDHN Cc1cccc(C[C@@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569693542 549014074 /nfs/dbraw/zinc/01/40/74/549014074.db2.gz QQGZVVHDORIPNG-WMZOPIPTSA-N 0 3 360.410 1.836 20 5 FDBDHN CC1CCC(O)(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000570082370 549152005 /nfs/dbraw/zinc/15/20/05/549152005.db2.gz JQSPFYLBFYHQIG-UHFFFAOYSA-N 0 3 371.459 1.404 20 5 FDBDHN COC(=O)Cn1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000571373842 549620854 /nfs/dbraw/zinc/62/08/54/549620854.db2.gz QPILOKPFKJJZDO-UHFFFAOYSA-N 0 3 358.358 1.173 20 5 FDBDHN C[C@@H](CN1CCCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572952928 550030695 /nfs/dbraw/zinc/03/06/95/550030695.db2.gz RHJRUEDURNTJJM-AWEZNQCLSA-N 0 3 355.460 1.833 20 5 FDBDHN COc1cccc([N+](=O)[O-])c1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000574704249 550357392 /nfs/dbraw/zinc/35/73/92/550357392.db2.gz TVCSLTVXMCIMMZ-UHFFFAOYSA-N 0 3 350.419 1.958 20 5 FDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000574926897 550394439 /nfs/dbraw/zinc/39/44/39/550394439.db2.gz QMUVCZXFAXFCCV-HIFRSBDPSA-N 0 3 364.446 1.346 20 5 FDBDHN CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](CN)C1 ZINC000576821472 550589783 /nfs/dbraw/zinc/58/97/83/550589783.db2.gz NHCKCFSFRGELIR-OAHLLOKOSA-N 0 3 364.449 1.256 20 5 FDBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000578350085 550755058 /nfs/dbraw/zinc/75/50/58/550755058.db2.gz DNRDBFQKFHJSQY-WFASDCNBSA-N 0 3 364.402 1.149 20 5 FDBDHN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000579612725 550892417 /nfs/dbraw/zinc/89/24/17/550892417.db2.gz QPCIOYOQEHAEQF-NSHDSACASA-N 0 3 368.409 1.194 20 5 FDBDHN CNc1nccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000579732486 550904699 /nfs/dbraw/zinc/90/46/99/550904699.db2.gz VJYIXPVUUNEJIT-IUODEOHRSA-N 0 3 357.414 2.453 20 5 FDBDHN CCOc1ccc(NC(=O)CN2CCNC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000581489618 551094898 /nfs/dbraw/zinc/09/48/98/551094898.db2.gz YGKQRMQBMRZYJQ-CYBMUJFWSA-N 0 3 358.345 1.471 20 5 FDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000582143117 551182323 /nfs/dbraw/zinc/18/23/23/551182323.db2.gz FLZWRHBYPXPIJF-OAHLLOKOSA-N 0 3 350.467 1.724 20 5 FDBDHN CN(Cc1ccccc1)C(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582236201 551194498 /nfs/dbraw/zinc/19/44/98/551194498.db2.gz GSGBXEPQLVFABF-MRXNPFEDSA-N 0 3 373.409 1.583 20 5 FDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000583953683 551426045 /nfs/dbraw/zinc/42/60/45/551426045.db2.gz VDUPNKKPYDPABG-SFHVURJKSA-N 0 3 361.398 1.924 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(OCC(F)F)c2)c1 ZINC000583989594 551431158 /nfs/dbraw/zinc/43/11/58/551431158.db2.gz JSGVBBTZDXEVMC-CYBMUJFWSA-N 0 3 356.329 1.586 20 5 FDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860159 551693904 /nfs/dbraw/zinc/69/39/04/551693904.db2.gz DZECFLLWIRDVAK-ZIAGYGMSSA-N 0 3 353.806 1.458 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860582 551693970 /nfs/dbraw/zinc/69/39/70/551693970.db2.gz IUKYCCZOIISPCT-STQMWFEESA-N 0 3 372.381 1.130 20 5 FDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588861091 551694404 /nfs/dbraw/zinc/69/44/04/551694404.db2.gz OEGBZSTYMZDRJE-SJORKVTESA-N 0 3 362.430 1.454 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590279927 551769475 /nfs/dbraw/zinc/76/94/75/551769475.db2.gz DZBQMBHCBYUBSA-SMDDNHRTSA-N 0 3 362.386 1.095 20 5 FDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000590445803 551785173 /nfs/dbraw/zinc/78/51/73/551785173.db2.gz SUBOATBXHWTXQL-BBRMVZONSA-N 0 3 360.414 1.208 20 5 FDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000590551554 551791276 /nfs/dbraw/zinc/79/12/76/551791276.db2.gz ZNAWVJFHBMZURB-VIFPVBQESA-N 0 3 360.208 1.318 20 5 FDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590562405 551792606 /nfs/dbraw/zinc/79/26/06/551792606.db2.gz KIDSXIBQNLGJQU-UHFFFAOYSA-N 0 3 362.430 1.313 20 5 FDBDHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000591088304 551842760 /nfs/dbraw/zinc/84/27/60/551842760.db2.gz LQGSTWSINLLAOE-UHFFFAOYSA-N 0 3 362.430 1.121 20 5 FDBDHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)(N2CCOCC2)CC1 ZINC000591088258 551842793 /nfs/dbraw/zinc/84/27/93/551842793.db2.gz CBNCLHSLCHFAPB-UHFFFAOYSA-N 0 3 368.459 1.183 20 5 FDBDHN CCNC(=O)c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728029 551903849 /nfs/dbraw/zinc/90/38/49/551903849.db2.gz FBUJCAKXVLODIY-MRXNPFEDSA-N 0 3 373.409 1.874 20 5 FDBDHN COc1cccc2c1OC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000591733869 551904929 /nfs/dbraw/zinc/90/49/29/551904929.db2.gz XRDBGWXEKNTPMP-GOEBONIOSA-N 0 3 374.393 1.936 20 5 FDBDHN O=c1[nH]c2c(cc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000591739531 551905145 /nfs/dbraw/zinc/90/51/45/551905145.db2.gz CDWNDGRKSVFYIR-AWEZNQCLSA-N 0 3 359.382 1.714 20 5 FDBDHN COc1ccc(NC(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592247963 551966742 /nfs/dbraw/zinc/96/67/42/551966742.db2.gz QXYJVOBQBHANGM-UHFFFAOYSA-N 0 3 364.402 1.932 20 5 FDBDHN COc1cc(CNCC(C)(C)[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000592374751 551985811 /nfs/dbraw/zinc/98/58/11/551985811.db2.gz HKJMKYYYRMJTSB-KRWDZBQOSA-N 0 3 354.403 1.879 20 5 FDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)Cc2ccccc2C1 ZINC000592485372 552000422 /nfs/dbraw/zinc/00/04/22/552000422.db2.gz JDFJHNFMJJIOMN-UHFFFAOYSA-N 0 3 367.409 1.135 20 5 FDBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(C)C1 ZINC000592831702 552033442 /nfs/dbraw/zinc/03/34/42/552033442.db2.gz NVDBRJRHKPMLBM-ZDUSSCGKSA-N 0 3 351.403 1.925 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000592875017 552037643 /nfs/dbraw/zinc/03/76/43/552037643.db2.gz UXXWTDQQPPDDNC-UHOFOFEASA-N 0 3 360.414 1.277 20 5 FDBDHN O=C([C@H]1CNCCC1(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592956268 552047876 /nfs/dbraw/zinc/04/78/76/552047876.db2.gz FRGONYPFTZAHRD-CQSZACIVSA-N 0 3 354.357 1.488 20 5 FDBDHN COc1ccc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000593039501 552054852 /nfs/dbraw/zinc/05/48/52/552054852.db2.gz AZAJFMZUUAQAEB-OAHLLOKOSA-N 0 3 361.402 1.435 20 5 FDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593451370 552110390 /nfs/dbraw/zinc/11/03/90/552110390.db2.gz YIPASAHPRCJLJF-HNNXBMFYSA-N 0 3 353.394 1.846 20 5 FDBDHN Cc1cc(N2CCN(Cc3nc[nH]n3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593509602 552119530 /nfs/dbraw/zinc/11/95/30/552119530.db2.gz XRSSIBHHDZGPJO-UHFFFAOYSA-N 0 3 353.386 1.892 20 5 FDBDHN Cc1cc(N2CCN(Cc3nnc[nH]3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593509602 552119533 /nfs/dbraw/zinc/11/95/33/552119533.db2.gz XRSSIBHHDZGPJO-UHFFFAOYSA-N 0 3 353.386 1.892 20 5 FDBDHN CN1C[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000594374442 552298137 /nfs/dbraw/zinc/29/81/37/552298137.db2.gz QYPQVURHESDFOT-HIFRSBDPSA-N 0 3 355.398 1.647 20 5 FDBDHN NC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594523522 552327043 /nfs/dbraw/zinc/32/70/43/552327043.db2.gz CJOKRDLCOGXHCT-SNVBAGLBSA-N 0 3 354.716 1.980 20 5 FDBDHN CC(C)Oc1nc(N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000594550310 552332627 /nfs/dbraw/zinc/33/26/27/552332627.db2.gz AMVYZKYNLMMYQO-UHFFFAOYSA-N 0 3 351.451 1.851 20 5 FDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000594756566 552372424 /nfs/dbraw/zinc/37/24/24/552372424.db2.gz BBFFJFXDMZMNCE-ZDUSSCGKSA-N 0 3 354.432 1.486 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595225218 552497419 /nfs/dbraw/zinc/49/74/19/552497419.db2.gz KHYVBFASFKQSTG-HUUCEWRRSA-N 0 3 361.377 1.582 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595384055 552544005 /nfs/dbraw/zinc/54/40/05/552544005.db2.gz IJECUTNHNPDQRA-HNNXBMFYSA-N 0 3 369.443 1.123 20 5 FDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595593867 552589941 /nfs/dbraw/zinc/58/99/41/552589941.db2.gz AVCYUZCQYJRDJV-ROUUACIJSA-N 0 3 360.410 1.870 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595631146 552594927 /nfs/dbraw/zinc/59/49/27/552594927.db2.gz GBPFCWRFCYZCCE-FRFSOERESA-N 0 3 365.430 1.997 20 5 FDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595631154 552595345 /nfs/dbraw/zinc/59/53/45/552595345.db2.gz GDVGLYRJLNENNL-DFBGVHRSSA-N 0 3 351.403 1.349 20 5 FDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000595808534 552618341 /nfs/dbraw/zinc/61/83/41/552618341.db2.gz NOKFCTYYMPSZBE-MRXNPFEDSA-N 0 3 362.430 1.990 20 5 FDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595834486 552621816 /nfs/dbraw/zinc/62/18/16/552621816.db2.gz ZZUDSYSOBGEBDD-ZBFHGGJFSA-N 0 3 363.414 1.279 20 5 FDBDHN COc1ccc(OCCN2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000595834408 552621831 /nfs/dbraw/zinc/62/18/31/552621831.db2.gz ZJMWGGULMROGLU-CQSZACIVSA-N 0 3 363.414 1.927 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596051890 552650161 /nfs/dbraw/zinc/65/01/61/552650161.db2.gz QPTGRYPAUSOZNL-SNVBAGLBSA-N 0 3 357.310 1.114 20 5 FDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000596051877 552650186 /nfs/dbraw/zinc/65/01/86/552650186.db2.gz QGQSVZSVBWMECZ-SECBINFHSA-N 0 3 361.729 1.758 20 5 FDBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000596074152 552652893 /nfs/dbraw/zinc/65/28/93/552652893.db2.gz RWTBIHMRHXIKNP-UHFFFAOYSA-N 0 3 350.419 1.739 20 5 FDBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596158161 552660785 /nfs/dbraw/zinc/66/07/85/552660785.db2.gz RROSDXBWHRICOT-OAHLLOKOSA-N 0 3 361.446 1.298 20 5 FDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596453377 552680561 /nfs/dbraw/zinc/68/05/61/552680561.db2.gz KRGDVUKIMHQJFR-MRXNPFEDSA-N 0 3 358.398 1.430 20 5 FDBDHN COCCCN(C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104231 552747727 /nfs/dbraw/zinc/74/77/27/552747727.db2.gz QNTNVLANFDPWHA-UHFFFAOYSA-N 0 3 359.814 1.920 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000597692531 552822529 /nfs/dbraw/zinc/82/25/29/552822529.db2.gz PIXJOCOOKPQKGP-WFASDCNBSA-N 0 3 365.434 1.230 20 5 FDBDHN CCOc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000597693206 552822951 /nfs/dbraw/zinc/82/29/51/552822951.db2.gz BXPCZIPXISXRGF-UHFFFAOYSA-N 0 3 362.430 1.313 20 5 FDBDHN C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000598182481 552873213 /nfs/dbraw/zinc/87/32/13/552873213.db2.gz FTICOKDKOYHDPU-ZDUSSCGKSA-N 0 3 350.419 1.177 20 5 FDBDHN CC[C@@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598532202 552906263 /nfs/dbraw/zinc/90/62/63/552906263.db2.gz USPDPBSDNZWVNQ-WCQYABFASA-N 0 3 374.397 1.461 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598535876 552906711 /nfs/dbraw/zinc/90/67/11/552906711.db2.gz KKAISVCGNQLDHT-GFCCVEGCSA-N 0 3 351.407 1.044 20 5 FDBDHN CC[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536290 552907147 /nfs/dbraw/zinc/90/71/47/552907147.db2.gz QTMNRAJRUPLNLP-CMPLNLGQSA-N 0 3 366.443 1.385 20 5 FDBDHN CCN1CCN([C@@H](C)CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598589068 552912289 /nfs/dbraw/zinc/91/22/89/552912289.db2.gz CTOQFDHPIQGNES-LBPRGKRZSA-N 0 3 351.407 1.214 20 5 FDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901108 552941649 /nfs/dbraw/zinc/94/16/49/552941649.db2.gz NYQWBUFXHNYGGF-XHDPSFHLSA-N 0 3 361.402 1.315 20 5 FDBDHN C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000598902287 552942189 /nfs/dbraw/zinc/94/21/89/552942189.db2.gz NBZZVEXVEUDEBN-LBPRGKRZSA-N 0 3 361.402 1.483 20 5 FDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599111788 552969295 /nfs/dbraw/zinc/96/92/95/552969295.db2.gz MQUCCOOOWJURNJ-OIBJUYFYSA-N 0 3 364.221 1.386 20 5 FDBDHN NS(=O)(=O)c1cc(NC[C@@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000599164759 552977478 /nfs/dbraw/zinc/97/74/78/552977478.db2.gz LVGGEXRPOMBEMU-ZDUSSCGKSA-N 0 3 354.432 1.671 20 5 FDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829235 553157272 /nfs/dbraw/zinc/15/72/72/553157272.db2.gz DDMQKDWRWJZCCV-GFCCVEGCSA-N 0 3 359.386 1.985 20 5 FDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938504 553178440 /nfs/dbraw/zinc/17/84/40/553178440.db2.gz CCQQKOXGBOWTKA-GJZGRUSLSA-N 0 3 371.397 1.266 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000600208133 553230983 /nfs/dbraw/zinc/23/09/83/553230983.db2.gz JSBJFBMTOHYOQJ-JTNHKYCSSA-N 0 3 355.416 1.477 20 5 FDBDHN CCN1CCN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164674 553354891 /nfs/dbraw/zinc/35/48/91/553354891.db2.gz DSIYOGRJXSNIAG-UHFFFAOYSA-N 0 3 352.410 1.881 20 5 FDBDHN CC(C)C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000601192314 553358224 /nfs/dbraw/zinc/35/82/24/553358224.db2.gz VGHADHTWWWDDMT-OLZOCXBDSA-N 0 3 352.439 1.317 20 5 FDBDHN C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CCC[C@@H](C)C1 ZINC000603930005 553831087 /nfs/dbraw/zinc/83/10/87/553831087.db2.gz BXPSXWFBCXJHHT-VXGBXAGGSA-N 0 3 356.448 1.775 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000609989375 554445743 /nfs/dbraw/zinc/44/57/43/554445743.db2.gz VLMRHKKPKDHIPB-UHFFFAOYSA-N 0 3 366.466 1.418 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000610209077 554473765 /nfs/dbraw/zinc/47/37/65/554473765.db2.gz QZKGAAAJICJFFF-QWRGUYRKSA-N 0 3 368.821 1.577 20 5 FDBDHN CNC(=O)c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489286 554518120 /nfs/dbraw/zinc/51/81/20/554518120.db2.gz VJEGYLGHHPYMFG-HNNXBMFYSA-N 0 3 362.430 1.646 20 5 FDBDHN C[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617731437 555497660 /nfs/dbraw/zinc/49/76/60/555497660.db2.gz ATXCOUYZSDXYKQ-YJBOKZPZSA-N 0 3 360.458 1.937 20 5 FDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000619486583 555786569 /nfs/dbraw/zinc/78/65/69/555786569.db2.gz GVUZCNQVZDIRNW-STQMWFEESA-N 0 3 371.459 1.954 20 5 FDBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619578182 555802437 /nfs/dbraw/zinc/80/24/37/555802437.db2.gz CDJBQCJVPYJYLT-DZGCQCFKSA-N 0 3 362.430 1.656 20 5 FDBDHN COCCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCN(C)CC1 ZINC000291215451 568082984 /nfs/dbraw/zinc/08/29/84/568082984.db2.gz OCLRMGPKPFYYFR-UHFFFAOYSA-N 0 3 353.423 1.059 20 5 FDBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821581790 599137326 /nfs/dbraw/zinc/13/73/26/599137326.db2.gz UYGBJQAWICWIEW-CQSZACIVSA-N 0 3 354.374 1.885 20 5 FDBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821581790 599137328 /nfs/dbraw/zinc/13/73/28/599137328.db2.gz UYGBJQAWICWIEW-CQSZACIVSA-N 0 3 354.374 1.885 20 5 FDBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272129932 674416634 /nfs/dbraw/zinc/41/66/34/674416634.db2.gz RZXGHHPWVKVHBM-GFCCVEGCSA-N 0 3 365.411 1.972 20 5 FDBDHN COCCN(C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272521130 674453889 /nfs/dbraw/zinc/45/38/89/674453889.db2.gz ZIXFTWFZPJFOMF-UHFFFAOYSA-N 0 3 358.826 1.668 20 5 FDBDHN COCCOC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273405554 674534041 /nfs/dbraw/zinc/53/40/41/674534041.db2.gz WVPBZHZOYFKQNA-AWEZNQCLSA-N 0 3 354.403 1.462 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](OC)[C@@H](OC)C1 ZINC000276945599 674815637 /nfs/dbraw/zinc/81/56/37/674815637.db2.gz VEJCQPRSKPJQGZ-GASCZTMLSA-N 0 3 353.375 1.278 20 5 FDBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000363633354 676966287 /nfs/dbraw/zinc/96/62/87/676966287.db2.gz DDJUIYCXJGPGRC-UHFFFAOYSA-N 0 3 351.403 1.788 20 5 FDBDHN CSc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000363779345 676972954 /nfs/dbraw/zinc/97/29/54/676972954.db2.gz ZZDIVEKETZTEPD-NWDGAFQWSA-N 0 3 351.428 1.910 20 5 FDBDHN CC(C)(O)CN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364609726 677035242 /nfs/dbraw/zinc/03/52/42/677035242.db2.gz ZPLTVXVXXKQIBM-UHFFFAOYSA-N 0 3 351.403 1.279 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370264706 677558617 /nfs/dbraw/zinc/55/86/17/677558617.db2.gz CIYKOGGGQFWGBF-BDJLRTHQSA-N 0 3 350.394 1.966 20 5 FDBDHN COC(=O)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377995257 678667834 /nfs/dbraw/zinc/66/78/34/678667834.db2.gz OQQDVWPZAVNUSN-DZGCQCFKSA-N 0 3 352.387 1.466 20 5 FDBDHN Cc1cc(OCC(=O)N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000413797299 679298430 /nfs/dbraw/zinc/29/84/30/679298430.db2.gz IONSGQOSRVJPBG-CQSZACIVSA-N 0 3 351.403 1.245 20 5 FDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420966131 680580739 /nfs/dbraw/zinc/58/07/39/680580739.db2.gz ZDCWKQMRYLSTGQ-GFCCVEGCSA-N 0 3 350.375 1.142 20 5 FDBDHN COC1([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421035838 680592273 /nfs/dbraw/zinc/59/22/73/680592273.db2.gz PKNWLGJTWGUKSW-ZDUSSCGKSA-N 0 3 351.403 1.731 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426881795 680963431 /nfs/dbraw/zinc/96/34/31/680963431.db2.gz GFFPLZUNSWMUPJ-ZDUSSCGKSA-N 0 3 350.419 1.359 20 5 FDBDHN CC[C@@]1(CO)CCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475134367 685563187 /nfs/dbraw/zinc/56/31/87/685563187.db2.gz KVWQWDJGBGACSF-KRWDZBQOSA-N 0 3 352.387 1.884 20 5 FDBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475206745 685572263 /nfs/dbraw/zinc/57/22/63/685572263.db2.gz NXTMCSZXYOXWGC-ZDUSSCGKSA-N 0 3 362.308 1.802 20 5 FDBDHN C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450548789 682765463 /nfs/dbraw/zinc/76/54/63/682765463.db2.gz UJWGEPCHGGNUTP-LLVKDONJSA-N 0 3 354.432 1.163 20 5 FDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(S(C)(=O)=O)CC1 ZINC000475429517 685597034 /nfs/dbraw/zinc/59/70/34/685597034.db2.gz RSCBBKWZTAYGEF-NSHDSACASA-N 0 3 355.416 1.479 20 5 FDBDHN C[C@@H](C(=O)N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452380268 683065026 /nfs/dbraw/zinc/06/50/26/683065026.db2.gz FPNVKKYLHKBGOE-OLZOCXBDSA-N 0 3 353.394 1.800 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000472115410 685177509 /nfs/dbraw/zinc/17/75/09/685177509.db2.gz NRLRXWVKKGOMSZ-CQSZACIVSA-N 0 3 366.487 1.829 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000480082088 686126740 /nfs/dbraw/zinc/12/67/40/686126740.db2.gz GZIPLAMXMDSRLS-ZFWWWQNUSA-N 0 3 350.467 1.582 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC/C=C/c2ccncc2)cc1 ZINC000486947031 686945525 /nfs/dbraw/zinc/94/55/25/686945525.db2.gz QVTWSMYHGLCCIO-OWOJBTEDSA-N 0 3 362.411 1.571 20 5 FDBDHN CCCCN(C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491571670 687155549 /nfs/dbraw/zinc/15/55/49/687155549.db2.gz GRFLBOWBTXGKSV-UHFFFAOYSA-N 0 3 363.411 1.753 20 5 FDBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000493442285 687426175 /nfs/dbraw/zinc/42/61/75/687426175.db2.gz KSHJALMPPNPCTN-GDBMZVCRSA-N 0 3 351.359 1.403 20 5 FDBDHN CNC(=O)CCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000494934613 687590200 /nfs/dbraw/zinc/59/02/00/687590200.db2.gz GMSCEXRAROKZMN-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN CCN1CCN([C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498524391 687804033 /nfs/dbraw/zinc/80/40/33/687804033.db2.gz FJPHRBBNVHUNFV-AWEZNQCLSA-N 0 3 350.419 1.116 20 5 FDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498912834 687878551 /nfs/dbraw/zinc/87/85/51/687878551.db2.gz FPJMJVKKBQMQNL-QWHCGFSZSA-N 0 3 350.419 1.956 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507705228 688666503 /nfs/dbraw/zinc/66/65/03/688666503.db2.gz UCMIBJHRFVNANJ-UHFFFAOYSA-N 0 3 352.410 1.720 20 5 FDBDHN CCCN1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000510966630 689444278 /nfs/dbraw/zinc/44/42/78/689444278.db2.gz IZSOOOAXDYKHBF-HNNXBMFYSA-N 0 3 355.460 1.931 20 5 FDBDHN CS(=O)(=O)N1CC[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000514073663 689721542 /nfs/dbraw/zinc/72/15/42/689721542.db2.gz AYGBSTGORCRGGK-CYBMUJFWSA-N 0 3 353.444 1.841 20 5 FDBDHN NC(=O)C1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518517595 690145503 /nfs/dbraw/zinc/14/55/03/690145503.db2.gz DDEIKECFPUCHHR-UHFFFAOYSA-N 0 3 355.416 1.002 20 5 FDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCCC1 ZINC000522848902 694500467 /nfs/dbraw/zinc/50/04/67/694500467.db2.gz XFXONIYHSXRKCX-ZDUSSCGKSA-N 0 3 352.439 1.429 20 5 FDBDHN C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177123020 772628508 /nfs/dbraw/zinc/62/85/08/772628508.db2.gz JKNMINWGKUSVRA-MNOVXSKESA-N 0 3 356.382 1.791 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@H]1c1cccnc1 ZINC000261854774 774520876 /nfs/dbraw/zinc/52/08/76/774520876.db2.gz VTEVFZFTYBBGBA-KRWDZBQOSA-N 0 3 355.398 1.883 20 5 FDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571664 787518856 /nfs/dbraw/zinc/51/88/56/787518856.db2.gz VFQYMFQLQROZQJ-VXGBXAGGSA-N 0 3 366.393 1.909 20 5 FDBDHN COc1cccc(Cl)c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775620 792010379 /nfs/dbraw/zinc/01/03/79/792010379.db2.gz JQXDXZOMJBVOHE-FJTJADAOSA-N 0 3 365.817 1.560 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377584558 792276287 /nfs/dbraw/zinc/27/62/87/792276287.db2.gz SJUIZCYCNIWLRU-CABCVRRESA-N 0 3 364.402 1.266 20 5 FDBDHN CS[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000892999689 792389951 /nfs/dbraw/zinc/38/99/51/792389951.db2.gz DFSSZSPOZHOOAK-KGLIPLIRSA-N 0 3 362.455 1.929 20 5 FDBDHN CCc1n[nH]c(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000365765750 793772230 /nfs/dbraw/zinc/77/22/30/793772230.db2.gz RDOFXBYWRCYBDX-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN CCc1[nH]nc(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000365765750 793772238 /nfs/dbraw/zinc/77/22/38/793772238.db2.gz RDOFXBYWRCYBDX-CYBMUJFWSA-N 0 3 364.450 1.122 20 5 FDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279569402 809046961 /nfs/dbraw/zinc/04/69/61/809046961.db2.gz ZGOFIXPLWOGSTI-GFCCVEGCSA-N 0 3 367.425 1.320 20 5 FDBDHN CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(CCc2ccccn2)CC1 ZINC000501043895 811967559 /nfs/dbraw/zinc/96/75/59/811967559.db2.gz IWHZSCPNGWIUMK-UHFFFAOYSA-N 0 3 372.429 1.502 20 5 FDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000425059854 815510382 /nfs/dbraw/zinc/51/03/82/815510382.db2.gz SSNPLWOXSFZYIQ-SUMWQHHRSA-N 0 3 355.398 1.947 20 5 FDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2C(=O)NC)c([N+](=O)[O-])c1 ZINC000502855843 814293552 /nfs/dbraw/zinc/29/35/52/814293552.db2.gz LAQZWYVJHKYGCF-CHWSQXEVSA-N 0 3 364.402 1.436 20 5 FDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000422090027 814399099 /nfs/dbraw/zinc/39/90/99/814399099.db2.gz ASQBQALAYVMJJK-MRXNPFEDSA-N 0 3 374.441 1.638 20 5 FDBDHN CNc1nccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000516979980 817146708 /nfs/dbraw/zinc/14/67/08/817146708.db2.gz SYZICIHDHGGBMJ-CQSZACIVSA-N 0 3 357.414 1.934 20 5 FDBDHN C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000521034206 821057978 /nfs/dbraw/zinc/05/79/78/821057978.db2.gz BPHQXKVLFUAZNT-UHFFFAOYSA-N 0 3 373.369 1.838 20 5 FDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000445769650 828361019 /nfs/dbraw/zinc/36/10/19/828361019.db2.gz ZUYWWVUOBLGPTR-CYZMBNFOSA-N 0 3 364.402 1.564 20 5 FDBDHN CN1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281664099 826151328 /nfs/dbraw/zinc/15/13/28/826151328.db2.gz COUMCFIRBGHALY-UHFFFAOYSA-N 0 3 363.462 1.539 20 5 FDBDHN COC(=O)COc1ccc(CN2CCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000475563430 827915735 /nfs/dbraw/zinc/91/57/35/827915735.db2.gz GAPTTYRFLGPSQX-UHFFFAOYSA-N 0 3 365.430 1.920 20 5 FDBDHN Cc1nn(C)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440502851 828161196 /nfs/dbraw/zinc/16/11/96/828161196.db2.gz HYVJIDBPGFBATB-SFHVURJKSA-N 0 3 373.413 1.004 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc1F ZINC000907564882 854370614 /nfs/dbraw/zinc/37/06/14/854370614.db2.gz RILHYHQBOCTLDP-ABAIWWIYSA-N 0 3 357.407 1.615 20 5 FDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249477369 860152633 /nfs/dbraw/zinc/15/26/33/860152633.db2.gz AGOOIYCNMDRODP-CABCVRRESA-N 0 3 364.446 1.619 20 5 FDBDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000760903571 863423489 /nfs/dbraw/zinc/42/34/89/863423489.db2.gz LGBHAOIAUUSKJZ-INIZCTEOSA-N 0 3 367.358 1.583 20 5 FDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000443449741 868705671 /nfs/dbraw/zinc/70/56/71/868705671.db2.gz UDEPEOWOOUNINV-CQSZACIVSA-N 0 3 363.462 1.640 20 5 FDBDHN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCN(C2CC2)C1 ZINC000465135782 869144316 /nfs/dbraw/zinc/14/43/16/869144316.db2.gz ZZYOMCZIBZXMSF-AWEZNQCLSA-N 0 3 361.398 1.604 20 5 FDBDHN O=[N+]([O-])c1ccc(CCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1 ZINC000913957085 870127039 /nfs/dbraw/zinc/12/70/39/870127039.db2.gz FNFWHQFNEYWMDD-INIZCTEOSA-N 0 3 353.444 1.543 20 5 FDBDHN CC[C@@H](CN1CCOCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922589403 878716873 /nfs/dbraw/zinc/71/68/73/878716873.db2.gz LDGAIUIEFWKIJU-AWEZNQCLSA-N 0 3 351.403 1.566 20 5 FDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2nc3ccccc3o2)CC1 ZINC001005377350 883152070 /nfs/dbraw/zinc/15/20/70/883152070.db2.gz CKXYNJGAMFDMLM-UKRRQHHQSA-N 0 3 358.398 1.916 20 5 FDBDHN CN1C[C@]2(C)CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918352369 884354504 /nfs/dbraw/zinc/35/45/04/884354504.db2.gz SSZRFWLUFCOUOF-IYBDPMFKSA-N 0 3 353.444 1.698 20 5 FDBDHN Cc1cc(=O)c(C(=O)NCCN(C)C(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000498580574 885321910 /nfs/dbraw/zinc/32/19/10/885321910.db2.gz MNQKDEBHFBIFQT-UHFFFAOYSA-N 0 3 373.413 1.519 20 5 FDBDHN COCCCOC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273368617 912981281 /nfs/dbraw/zinc/98/12/81/912981281.db2.gz RLJPBXPBFBOTDQ-OAHLLOKOSA-N 0 3 368.430 1.852 20 5 FDBDHN Cc1nsc(C)c1CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704578 886332086 /nfs/dbraw/zinc/33/20/86/886332086.db2.gz RAAJFOAEHACPSI-UKRRQHHQSA-N 0 3 364.471 1.850 20 5 FDBDHN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3OCCN[C@@H]3C2)c1 ZINC000923384604 889068108 /nfs/dbraw/zinc/06/81/08/889068108.db2.gz IWZSNXKRRGQQBT-KGLIPLIRSA-N 0 3 356.220 1.920 20 5 FDBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273281044 912143864 /nfs/dbraw/zinc/14/38/64/912143864.db2.gz DLLUMVZYYGUCSV-UONOGXRCSA-N 0 3 366.414 1.998 20 5 FDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000731683999 918422793 /nfs/dbraw/zinc/42/27/93/918422793.db2.gz MVXFTYJJRXDIAF-ZBFHGGJFSA-N 0 3 364.402 1.136 20 5 FDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000823806187 922071940 /nfs/dbraw/zinc/07/19/40/922071940.db2.gz BMHLMDZATHSFJU-KGLIPLIRSA-N 0 3 353.444 1.784 20 5 FDBDHN C[C@H](CCN1CCN(C)CC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000823789205 922097415 /nfs/dbraw/zinc/09/74/15/922097415.db2.gz QLMZYQGOPCLTOO-CQSZACIVSA-N 0 3 373.457 1.885 20 5 FDBDHN C[C@@H]1CCCN1C(=O)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018846 928239212 /nfs/dbraw/zinc/23/92/12/928239212.db2.gz COYZYACJWATMPO-MGPQQGTHSA-N 0 3 361.446 1.771 20 5 FDBDHN O=C(NC1CCCC1)c1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169025248 928251195 /nfs/dbraw/zinc/25/11/95/928251195.db2.gz SYCLXZQCIJYJEL-JSGCOSHPSA-N 0 3 361.446 1.819 20 5 FDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785799968 931626052 /nfs/dbraw/zinc/62/60/52/931626052.db2.gz KLKBYEYYRISGKR-UONOGXRCSA-N 0 3 362.386 1.827 20 5 FDBDHN O=C(CN1CCCC1)N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804430127 938431713 /nfs/dbraw/zinc/43/17/13/938431713.db2.gz VHOAWBCXSVUJDD-UHFFFAOYSA-N 0 3 363.374 1.247 20 5 FDBDHN CC(COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)[N+](=O)[O-] ZINC000813104141 941326958 /nfs/dbraw/zinc/32/69/58/941326958.db2.gz WVUMPFSMASUCLC-GVMDUPDNSA-N 0 3 353.419 1.853 20 5 FDBDHN CC(COC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813111544 941335089 /nfs/dbraw/zinc/33/50/89/941335089.db2.gz ISVYEXWOOUIYAS-BLLLJJGKSA-N 0 3 354.334 1.946 20 5 FDBDHN CC(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112196 941335608 /nfs/dbraw/zinc/33/56/08/941335608.db2.gz NMAHJGPKIXSNEG-OCCSQVGLSA-N 0 3 356.400 1.438 20 5 FDBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813111157 941335746 /nfs/dbraw/zinc/33/57/46/941335746.db2.gz PGRTYAHHJSUVGQ-CMPLNLGQSA-N 0 3 362.338 1.284 20 5 FDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000819152258 943442943 /nfs/dbraw/zinc/44/29/43/943442943.db2.gz POTFOFXIQGRFKR-MRXNPFEDSA-N 0 3 362.407 1.748 20 5 FDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819307695 943512705 /nfs/dbraw/zinc/51/27/05/943512705.db2.gz DHIGGQUPZYXPGH-HUUCEWRRSA-N 0 3 357.432 1.032 20 5 FDBDHN Cc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1S(N)(=O)=O ZINC000819268279 943520856 /nfs/dbraw/zinc/52/08/56/943520856.db2.gz RCMLBVHLEQVXHQ-HNNXBMFYSA-N 0 3 365.411 1.374 20 5 FDBDHN O=C(NCCN1CCCCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001136224124 943574530 /nfs/dbraw/zinc/57/45/30/943574530.db2.gz JFGCTEOURDRQFV-UHFFFAOYSA-N 0 3 358.402 1.450 20 5 FDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000856412515 971132562 /nfs/dbraw/zinc/13/25/62/971132562.db2.gz PMBNISUNEWZUJQ-CQSZACIVSA-N 0 3 362.430 1.892 20 5 FDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000824082703 946211845 /nfs/dbraw/zinc/21/18/45/946211845.db2.gz MKYNVJWMEXEZKR-GOSISDBHSA-N 0 3 357.414 1.881 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856768124 971387997 /nfs/dbraw/zinc/38/79/97/971387997.db2.gz PWWGTBCTZQEDES-SNVBAGLBSA-N 0 3 371.235 1.914 20 5 FDBDHN CC([C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876884 950050825 /nfs/dbraw/zinc/05/08/25/950050825.db2.gz QZBQFJNILOKMBU-PRHODGIISA-N 0 3 353.266 1.275 20 5 FDBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1OC ZINC001197104632 972099143 /nfs/dbraw/zinc/09/91/43/972099143.db2.gz JDUPAUBIDSZFDR-UKRRQHHQSA-N 0 3 364.402 1.910 20 5 FDBDHN N=c1ncc(CN)cn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008936 961882749 /nfs/dbraw/zinc/88/27/49/961882749.db2.gz NPGGOQUHGQYMHU-UHFFFAOYSA-N 0 3 364.356 1.849 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CN(c3cnccn3)C2)c1F ZINC001173191171 961957960 /nfs/dbraw/zinc/95/79/60/961957960.db2.gz JVIOPYJHDRJSLF-NSHDSACASA-N 0 3 361.377 1.942 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CN(C)CC1(C)C ZINC001178710281 964391160 /nfs/dbraw/zinc/39/11/60/964391160.db2.gz YPHSHQGYGACITQ-NEPJUHHUSA-N 0 3 352.439 1.284 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN1C(=O)NC(C)(C)C1=O ZINC001179805851 964995904 /nfs/dbraw/zinc/99/59/04/964995904.db2.gz RKRYAPYUCORQQA-UHFFFAOYSA-N 0 3 364.402 1.804 20 5 FDBDHN C[C@]12COC[C@H]1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000852534195 967404133 /nfs/dbraw/zinc/40/41/33/967404133.db2.gz INNWNXGEBOVAPB-BEFAXECRSA-N 0 3 374.441 1.212 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCC(CC)(N3CCC3)CC2)c([N+](=O)[O-])n1 ZINC001194976982 970579686 /nfs/dbraw/zinc/57/96/86/970579686.db2.gz LQEPQAJAQSVFDA-UHFFFAOYSA-N 0 3 371.463 1.450 20 5 FDBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847336841 975489296 /nfs/dbraw/zinc/48/92/96/975489296.db2.gz MYFQLKKACUFVAM-QWHCGFSZSA-N 0 3 354.794 1.209 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858045818 981806242 /nfs/dbraw/zinc/80/62/42/981806242.db2.gz BJHPFNRDPPFXTQ-IRXDYDNUSA-N 0 3 373.413 1.578 20 5 FDBDHN Cc1nnc(C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)[nH]1 ZINC000364380766 989554226 /nfs/dbraw/zinc/55/42/26/989554226.db2.gz UNLSKVDOBXQGCN-UHFFFAOYSA-N 0 3 370.413 1.790 20 5 FDBDHN Cc1nn(C)c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000370502444 989792760 /nfs/dbraw/zinc/79/27/60/989792760.db2.gz DXLBARIJLKHJMF-LBPRGKRZSA-N 0 3 359.386 1.606 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000298509684 990139010 /nfs/dbraw/zinc/13/90/10/990139010.db2.gz SRIHABUIDUVRQY-UHFFFAOYSA-N 0 3 363.414 1.908 20 5 FDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000876470122 992625705 /nfs/dbraw/zinc/62/57/05/992625705.db2.gz OGTRPUMGAOEJPI-OTIVFRFGSA-N 0 3 363.414 1.414 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000876470041 992625721 /nfs/dbraw/zinc/62/57/21/992625721.db2.gz MWBBICHLENRXOT-KRWDZBQOSA-N 0 3 351.403 1.322 20 5 FDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000876476661 992651619 /nfs/dbraw/zinc/65/16/19/992651619.db2.gz ZGVWAHGIPATBBI-KRWDZBQOSA-N 0 3 369.393 1.082 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000926152015 995942101 /nfs/dbraw/zinc/94/21/01/995942101.db2.gz ZDHNIMYVMAAGJN-IRXDYDNUSA-N 0 3 367.471 1.975 20 5 FDBDHN CN(CCc1nc(-c2ccccc2)no1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286141551 999942042 /nfs/dbraw/zinc/94/20/42/999942042.db2.gz VPSVXOZEGLZSSX-OAHLLOKOSA-N 0 3 372.385 1.377 20 5 FDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288552267 1000026330 /nfs/dbraw/zinc/02/63/30/1000026330.db2.gz PMISEOASGBBFQI-CYBMUJFWSA-N 0 3 358.398 1.720 20 5 FDBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCn3cc(CO)nn3)cs2)c1 ZINC000289708801 1000114636 /nfs/dbraw/zinc/11/46/36/1000114636.db2.gz DXYMSRMVADJCTI-UHFFFAOYSA-N 0 3 374.426 1.982 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000928441229 1001523169 /nfs/dbraw/zinc/52/31/69/1001523169.db2.gz DISRFFPAACYDCT-WOPDTQHZSA-N 0 3 366.443 1.470 20 5 FDBDHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000933338881 1005541576 /nfs/dbraw/zinc/54/15/76/1005541576.db2.gz ORVNMKYKLJEYCL-ZIAGYGMSSA-N 0 3 362.430 1.367 20 5 FDBDHN CN1CCN(C)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000933995971 1005675705 /nfs/dbraw/zinc/67/57/05/1005675705.db2.gz NLNUGPVYZFMZBM-UHFFFAOYSA-N 0 3 369.853 1.366 20 5 FDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC23CCOCC3)c2c(c1)COCO2 ZINC000934407830 1005741540 /nfs/dbraw/zinc/74/15/40/1005741540.db2.gz DAIUSTLXQOAQCJ-OAHLLOKOSA-N 0 3 350.371 1.889 20 5 FDBDHN Cc1cc(C(=O)N(C)Cc2ccccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC000963870081 1012866642 /nfs/dbraw/zinc/86/66/42/1012866642.db2.gz XIKMDJUOLHBZPM-GDBMZVCRSA-N 0 3 371.397 1.272 20 5 FDBDHN Cc1cc(C(=O)N(C)Cc2ccccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC000963870081 1012866663 /nfs/dbraw/zinc/86/66/63/1012866663.db2.gz XIKMDJUOLHBZPM-GDBMZVCRSA-N 0 3 371.397 1.272 20 5 FDBDHN CCN1CCN(CCNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191688022 178066184 /nfs/dbraw/zinc/06/61/84/178066184.db2.gz KAVRILVUWDUGHZ-UHFFFAOYSA-N 0 3 350.419 1.279 20 5 FDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194262691 178203932 /nfs/dbraw/zinc/20/39/32/178203932.db2.gz FNHSDVZHVRDCOY-MRXNPFEDSA-N 0 3 372.429 1.613 20 5 FDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000194733825 178223443 /nfs/dbraw/zinc/22/34/43/178223443.db2.gz QZWLGXTXICJTTL-VIFPVBQESA-N 0 3 364.221 1.373 20 5 FDBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000194879939 178229216 /nfs/dbraw/zinc/22/92/16/178229216.db2.gz XNTFWEMTBLHBGH-QGZVFWFLSA-N 0 3 351.403 1.668 20 5 FDBDHN COCCNCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237334595 178308473 /nfs/dbraw/zinc/30/84/73/178308473.db2.gz FDYQGEWDHMEYQQ-UHFFFAOYSA-N 0 3 364.446 1.797 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796580 178330966 /nfs/dbraw/zinc/33/09/66/178330966.db2.gz QWOFRBDRAHGVRW-SECBINFHSA-N 0 3 367.349 1.892 20 5 FDBDHN CCOC(=O)c1cc(C(=O)NCCNc2ccncc2)cc([N+](=O)[O-])c1 ZINC000512072467 538968518 /nfs/dbraw/zinc/96/85/18/538968518.db2.gz LNTOTZXKSYCNGT-UHFFFAOYSA-N 0 3 358.354 1.430 20 5 FDBDHN CC1CCC(O)(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517025614 539343352 /nfs/dbraw/zinc/34/33/52/539343352.db2.gz ZZLNQOOBNBSKAU-UHFFFAOYSA-N 0 3 371.459 1.404 20 5 FDBDHN CN(CCCN1CCN(C)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264622779 179151452 /nfs/dbraw/zinc/15/14/52/179151452.db2.gz LOGSEZWGBVHYFI-UHFFFAOYSA-N 0 3 366.487 1.783 20 5 FDBDHN CN(C)C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264945454 179247949 /nfs/dbraw/zinc/24/79/49/179247949.db2.gz JKOIUYNOUFHWSC-SNVBAGLBSA-N 0 3 363.386 1.979 20 5 FDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000525183271 539684044 /nfs/dbraw/zinc/68/40/44/539684044.db2.gz YZHQZVHUQZPFOI-ZDUSSCGKSA-N 0 3 354.432 1.486 20 5 FDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267322294 179811491 /nfs/dbraw/zinc/81/14/91/179811491.db2.gz DFBLCRUVFAFCBP-GJZGRUSLSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269193223 180239403 /nfs/dbraw/zinc/23/94/03/180239403.db2.gz HUUMMGYHHYAWPC-LBPRGKRZSA-N 0 3 368.393 1.998 20 5 FDBDHN CC(C)OCCOC[C@H](O)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672345 180357507 /nfs/dbraw/zinc/35/75/07/180357507.db2.gz VGEZTFNZVLNRBM-SJORKVTESA-N 0 3 356.419 1.363 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000531833340 540120249 /nfs/dbraw/zinc/12/02/49/540120249.db2.gz PQGSMUCCCCLHRK-ZDUSSCGKSA-N 0 3 352.410 1.737 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccn1 ZINC000535670216 540491868 /nfs/dbraw/zinc/49/18/68/540491868.db2.gz JYOOYLPNVOJNQH-UHFFFAOYSA-N 0 3 362.361 1.999 20 5 FDBDHN O=C(NCCNc1ccncc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000536014533 540538430 /nfs/dbraw/zinc/53/84/30/540538430.db2.gz TVHUGVIOQQXVFC-UHFFFAOYSA-N 0 3 352.354 1.439 20 5 FDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000536434774 540594141 /nfs/dbraw/zinc/59/41/41/540594141.db2.gz VQLNBPSDCWNWRT-GDBMZVCRSA-N 0 3 358.398 1.536 20 5 FDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)CCO1 ZINC000539051529 540920551 /nfs/dbraw/zinc/92/05/51/540920551.db2.gz LVFTWQFPJRMXHC-QWHCGFSZSA-N 0 3 374.484 1.869 20 5 FDBDHN C[C@]1(c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)NC(=O)NC1=O ZINC000539497462 540966298 /nfs/dbraw/zinc/96/62/98/540966298.db2.gz INWQWCVIYCKSIJ-GOSISDBHSA-N 0 3 354.366 1.939 20 5 FDBDHN CCN1CCN([C@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114220 541152513 /nfs/dbraw/zinc/15/25/13/541152513.db2.gz LDYYMBITJFQVTP-CYBMUJFWSA-N 0 3 350.419 1.819 20 5 FDBDHN Cc1c(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(F)ccc1[N+](=O)[O-] ZINC000282475782 182018268 /nfs/dbraw/zinc/01/82/68/182018268.db2.gz LOZSNMSZYQRHNW-GWCFXTLKSA-N 0 3 366.393 1.779 20 5 FDBDHN CN1CCN(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282584724 182027605 /nfs/dbraw/zinc/02/76/05/182027605.db2.gz DXJUOPLMUXCPTB-UHFFFAOYSA-N 0 3 363.462 1.463 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283935613 182321693 /nfs/dbraw/zinc/32/16/93/182321693.db2.gz XSTSSJKEFNSEKS-CQSZACIVSA-N 0 3 363.414 1.848 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000284503268 182504409 /nfs/dbraw/zinc/50/44/09/182504409.db2.gz VCJFWIKSVKOQDG-ZDUSSCGKSA-N 0 3 351.403 1.570 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000284503257 182504985 /nfs/dbraw/zinc/50/49/85/182504985.db2.gz VCJFWIKSVKOQDG-CYBMUJFWSA-N 0 3 351.403 1.570 20 5 FDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286586594 183103726 /nfs/dbraw/zinc/10/37/26/183103726.db2.gz GBCIJXDYCNPKJD-BBRMVZONSA-N 0 3 353.444 1.983 20 5 FDBDHN CS[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000290984004 183730879 /nfs/dbraw/zinc/73/08/79/183730879.db2.gz SDJTXPYTGRWBLB-NEPJUHHUSA-N 0 3 351.432 1.105 20 5 FDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295400845 184067072 /nfs/dbraw/zinc/06/70/72/184067072.db2.gz INLONFGFLGZCER-LBPRGKRZSA-N 0 3 374.397 1.425 20 5 FDBDHN CCN(C)C(=O)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000296398509 184161788 /nfs/dbraw/zinc/16/17/88/184161788.db2.gz TUWYXNBYSRAXQK-BBRMVZONSA-N 0 3 353.419 1.427 20 5 FDBDHN Cc1cc(F)c(NC(=O)C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000297311977 184257020 /nfs/dbraw/zinc/25/70/20/184257020.db2.gz IJPHVBCBQKVXCK-UHFFFAOYSA-N 0 3 352.366 1.581 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000297985168 184369235 /nfs/dbraw/zinc/36/92/35/184369235.db2.gz WNQSJLAPZZSONT-LBPRGKRZSA-N 0 3 362.430 1.998 20 5 FDBDHN CN1CC[C@@](O)(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000547282723 542299489 /nfs/dbraw/zinc/29/94/89/542299489.db2.gz AMTXLBRSIDAHJB-CQSZACIVSA-N 0 3 360.317 1.384 20 5 FDBDHN COc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000152889926 258263205 /nfs/dbraw/zinc/26/32/05/258263205.db2.gz GKIPSVGOHNDFOT-TZMCWYRMSA-N 0 3 369.443 1.708 20 5 FDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCN1CCC(O)CC1 ZINC000172312979 258273443 /nfs/dbraw/zinc/27/34/43/258273443.db2.gz PHKZYCGKWATPRY-UHFFFAOYSA-N 0 3 353.444 1.650 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000548188273 542578156 /nfs/dbraw/zinc/57/81/56/542578156.db2.gz BBTBGMAIVGQGQY-ZIAGYGMSSA-N 0 3 368.434 1.968 20 5 FDBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCC2)C1 ZINC000110517607 132246931 /nfs/dbraw/zinc/24/69/31/132246931.db2.gz REPDFMGCTDPZHK-AWEZNQCLSA-N 0 3 374.397 1.017 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](N(C)C)C1 ZINC000078617761 132377355 /nfs/dbraw/zinc/37/73/55/132377355.db2.gz MBZZNPJEGUMYOO-SNVBAGLBSA-N 0 3 352.347 1.820 20 5 FDBDHN CC1(C)C[C@H](NCC2(O)CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000551572792 543304196 /nfs/dbraw/zinc/30/41/96/543304196.db2.gz WILPWOKARHAKSL-HNNXBMFYSA-N 0 3 368.455 1.847 20 5 FDBDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000072631362 172045678 /nfs/dbraw/zinc/04/56/78/172045678.db2.gz OHEVUYLPGHWRPW-GXTWGEPZSA-N 0 3 351.432 1.927 20 5 FDBDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077616444 172129803 /nfs/dbraw/zinc/12/98/03/172129803.db2.gz QSIAQTCBHAQIHR-AWEZNQCLSA-N 0 3 370.475 1.147 20 5 FDBDHN CC(C)OCCN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000081995562 172199540 /nfs/dbraw/zinc/19/95/40/172199540.db2.gz UKOBALGTILJEQW-UHFFFAOYSA-N 0 3 365.430 1.979 20 5 FDBDHN CCCCNC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090559360 172267219 /nfs/dbraw/zinc/26/72/19/172267219.db2.gz KHMDXNDZQNDBHW-UHFFFAOYSA-N 0 3 364.446 1.965 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000126069038 173027242 /nfs/dbraw/zinc/02/72/42/173027242.db2.gz NLXVAZPNRRGEGP-IOASZLSFSA-N 0 3 362.430 1.512 20 5 FDBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000173458794 258300357 /nfs/dbraw/zinc/30/03/57/258300357.db2.gz AJPPTRUNEMJXRX-LSDHHAIUSA-N 0 3 362.386 1.314 20 5 FDBDHN CN(C)CCOc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000136595362 173362478 /nfs/dbraw/zinc/36/24/78/173362478.db2.gz FTLUGUKAHKXSMJ-UHFFFAOYSA-N 0 3 358.398 1.903 20 5 FDBDHN CN(C)CCN(Cc1ccco1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161677026 173748257 /nfs/dbraw/zinc/74/82/57/173748257.db2.gz WKTSZUJSYBXSOL-UHFFFAOYSA-N 0 3 350.379 1.158 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000175667380 174018331 /nfs/dbraw/zinc/01/83/31/174018331.db2.gz CDLVCOIEULDDEK-UHFFFAOYSA-N 0 3 351.432 1.902 20 5 FDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176550423 174076704 /nfs/dbraw/zinc/07/67/04/174076704.db2.gz OQKHAWKBNYYGCU-UNEWFSDZSA-N 0 3 374.441 1.798 20 5 FDBDHN C[C@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176721072 174085090 /nfs/dbraw/zinc/08/50/90/174085090.db2.gz DWNDGKZGTCVDDI-GOEBONIOSA-N 0 3 357.414 1.961 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182237889 177509584 /nfs/dbraw/zinc/50/95/84/177509584.db2.gz JBUVBPZXUMRKJT-INIZCTEOSA-N 0 3 366.849 1.987 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508627 258352389 /nfs/dbraw/zinc/35/23/89/258352389.db2.gz CBNIDASSZCJKHT-ZDUSSCGKSA-N 0 3 358.402 1.632 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508627 258352390 /nfs/dbraw/zinc/35/23/90/258352390.db2.gz CBNIDASSZCJKHT-ZDUSSCGKSA-N 0 3 358.402 1.632 20 5 FDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179508627 258352391 /nfs/dbraw/zinc/35/23/91/258352391.db2.gz CBNIDASSZCJKHT-ZDUSSCGKSA-N 0 3 358.402 1.632 20 5 FDBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 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ORSNEJMMDFIEQD-QGZVFWFLSA-N 0 3 361.423 1.996 20 5 FDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCCN(C)C ZINC000558267423 544405847 /nfs/dbraw/zinc/40/58/47/544405847.db2.gz KEJGHVMESJBPID-UHFFFAOYSA-N 0 3 359.386 1.564 20 5 FDBDHN C[C@H](NC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000558747875 544523914 /nfs/dbraw/zinc/52/39/14/544523914.db2.gz JEALGKRVTVWIPX-ZDUSSCGKSA-N 0 3 373.413 1.948 20 5 FDBDHN COC(=O)C1CCN(CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000299653021 259013693 /nfs/dbraw/zinc/01/36/93/259013693.db2.gz LFSQWQTYVPGIFQ-UHFFFAOYSA-N 0 3 367.377 1.739 20 5 FDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000299717867 259019176 /nfs/dbraw/zinc/01/91/76/259019176.db2.gz RUBZIUDTXWWOEE-CYBMUJFWSA-N 0 3 360.414 1.917 20 5 FDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1C[C@H]2CN(C)C[C@H]2C1 ZINC000302852760 259046936 /nfs/dbraw/zinc/04/69/36/259046936.db2.gz JOXOIKWKXRFBGJ-AOOOYVTPSA-N 0 3 350.331 1.287 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1C ZINC000331493069 259200085 /nfs/dbraw/zinc/20/00/85/259200085.db2.gz YLMBPDKVJMNTBR-KBPBESRZSA-N 0 3 362.430 1.644 20 5 FDBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C ZINC000332545258 259275924 /nfs/dbraw/zinc/27/59/24/259275924.db2.gz MKLKEMHFWIWFHH-GJZGRUSLSA-N 0 3 361.446 1.909 20 5 FDBDHN COc1ccc(OCCN2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000363505811 259606328 /nfs/dbraw/zinc/60/63/28/259606328.db2.gz BCCKMMCNPBBOJM-NVXWUHKLSA-N 0 3 365.430 1.513 20 5 FDBDHN COCCCN1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000367418341 260038013 /nfs/dbraw/zinc/03/80/13/260038013.db2.gz KKOMRDAUOKGQBU-UHFFFAOYSA-N 0 3 366.418 1.633 20 5 FDBDHN COC(=O)C1=NOC2(C1)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000368477459 260189054 /nfs/dbraw/zinc/18/90/54/260189054.db2.gz HJCSJMNETSHLRK-UHFFFAOYSA-N 0 3 363.370 1.758 20 5 FDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000368595355 260206460 /nfs/dbraw/zinc/20/64/60/260206460.db2.gz SMRXVYDBBNULJE-MLGOLLRUSA-N 0 3 361.398 1.938 20 5 FDBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371218537 260674029 /nfs/dbraw/zinc/67/40/29/260674029.db2.gz HCDWPZLWOYBDPP-NVXWUHKLSA-N 0 3 360.458 1.622 20 5 FDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000374053662 261070849 /nfs/dbraw/zinc/07/08/49/261070849.db2.gz UQMVKRYRDMZHLL-GJZGRUSLSA-N 0 3 363.414 1.652 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000374828436 261206290 /nfs/dbraw/zinc/20/62/90/261206290.db2.gz KPWOQTZRTBXPDP-AWEZNQCLSA-N 0 3 363.414 1.977 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000375328772 261313577 /nfs/dbraw/zinc/31/35/77/261313577.db2.gz PPQAPTXYBYJNHQ-CYBMUJFWSA-N 0 3 360.374 1.471 20 5 FDBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378374039 262014315 /nfs/dbraw/zinc/01/43/15/262014315.db2.gz XHTAINXYMGPILA-OAHLLOKOSA-N 0 3 360.458 1.764 20 5 FDBDHN CCn1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000408405598 262103994 /nfs/dbraw/zinc/10/39/94/262103994.db2.gz KFUNXKMEXNFTOQ-UHFFFAOYSA-N 0 3 371.463 1.450 20 5 FDBDHN CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000270659834 674246177 /nfs/dbraw/zinc/24/61/77/674246177.db2.gz OQFQJWVBDHGERK-LSDHHAIUSA-N 0 3 352.460 1.819 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271127455 674312641 /nfs/dbraw/zinc/31/26/41/674312641.db2.gz MERWOEMHUZFIJF-UONOGXRCSA-N 0 3 368.415 1.929 20 5 FDBDHN COc1cc(OCC(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000523725701 490489100 /nfs/dbraw/zinc/48/91/00/490489100.db2.gz FBKUEGNXDWGPKW-UHFFFAOYSA-N 0 3 363.374 1.379 20 5 FDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000271470291 674345777 /nfs/dbraw/zinc/34/57/77/674345777.db2.gz SHMRDLXDMVBXGK-OLZOCXBDSA-N 0 3 357.407 1.947 20 5 FDBDHN C[C@@H](CN1CCCCC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024803592 519016999 /nfs/dbraw/zinc/01/69/99/519016999.db2.gz GJEKDGNYEANLTR-AWEZNQCLSA-N 0 3 362.430 1.705 20 5 FDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000027754910 519196034 /nfs/dbraw/zinc/19/60/34/519196034.db2.gz DGQMDNCUMGUUKD-CYBMUJFWSA-N 0 3 358.402 1.780 20 5 FDBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000041411947 519654914 /nfs/dbraw/zinc/65/49/14/519654914.db2.gz ZFIWSNDAUHKSBD-UHFFFAOYSA-N 0 3 356.382 1.911 20 5 FDBDHN COCCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000041896787 519671320 /nfs/dbraw/zinc/67/13/20/519671320.db2.gz UFEGYEIPYCXYBY-UHFFFAOYSA-N 0 3 350.419 1.496 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069502989 521894073 /nfs/dbraw/zinc/89/40/73/521894073.db2.gz MSNXIHHYBWXGOQ-INIZCTEOSA-N 0 3 373.413 1.621 20 5 FDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000043937255 521910958 /nfs/dbraw/zinc/91/09/58/521910958.db2.gz VPHFIERLODYTCF-LBPRGKRZSA-N 0 3 360.414 1.456 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC3CCCCC3)CC2)c1 ZINC000075676765 522955929 /nfs/dbraw/zinc/95/59/29/522955929.db2.gz MVOMCESQBQODJF-HNNXBMFYSA-N 0 3 352.435 1.966 20 5 FDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066223709 522990196 /nfs/dbraw/zinc/99/01/96/522990196.db2.gz BSCOVZAGPZERFC-GFCCVEGCSA-N 0 3 366.805 1.883 20 5 FDBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C[C@@H](C)O1 ZINC000076269931 523059384 /nfs/dbraw/zinc/05/93/84/523059384.db2.gz QKQRAEFALNPAJL-VXGBXAGGSA-N 0 3 350.423 1.293 20 5 FDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054981062 523726034 /nfs/dbraw/zinc/72/60/34/523726034.db2.gz GLKSEWBHGBJOJP-VXGBXAGGSA-N 0 3 356.448 1.775 20 5 FDBDHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000110702456 524126040 /nfs/dbraw/zinc/12/60/40/524126040.db2.gz VZZNSYNODWAHFY-VXGBXAGGSA-N 0 3 366.443 1.423 20 5 FDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081532559 524142890 /nfs/dbraw/zinc/14/28/90/524142890.db2.gz HAGZFZBZRVTTFL-AEFFLSMTSA-N 0 3 359.430 1.359 20 5 FDBDHN CN(C)CCN1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1=O ZINC000156865900 524165391 /nfs/dbraw/zinc/16/53/91/524165391.db2.gz DPSCVDYFCOHAIC-HNNXBMFYSA-N 0 3 374.441 1.496 20 5 FDBDHN O=C(CCN1CCN(c2ccccc2)CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000156988592 524187117 /nfs/dbraw/zinc/18/71/17/524187117.db2.gz KQHLYPAVNGUXDX-UHFFFAOYSA-N 0 3 372.429 1.120 20 5 FDBDHN COCCN1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000138588059 524260683 /nfs/dbraw/zinc/26/06/83/524260683.db2.gz ULBYHIKJMVHWQB-UHFFFAOYSA-N 0 3 350.419 1.624 20 5 FDBDHN CCC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1CCOC ZINC000121732063 524344708 /nfs/dbraw/zinc/34/47/08/524344708.db2.gz PDOSVYONIXMKBA-HNNXBMFYSA-N 0 3 352.435 1.189 20 5 FDBDHN COc1cc(S(=O)(=O)NCCN(C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000150810649 524489518 /nfs/dbraw/zinc/48/95/18/524489518.db2.gz MXWZFJIJJRTPKK-UHFFFAOYSA-N 0 3 357.432 1.756 20 5 FDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCN1CCCC1 ZINC000089897841 524539766 /nfs/dbraw/zinc/53/97/66/524539766.db2.gz QRUDDUZMIRSKNV-ZDUSSCGKSA-N 0 3 350.419 1.958 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112917245 524591827 /nfs/dbraw/zinc/59/18/27/524591827.db2.gz PJKGVLIPHGQBSM-LLVKDONJSA-N 0 3 353.398 1.072 20 5 FDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112917183 524592712 /nfs/dbraw/zinc/59/27/12/524592712.db2.gz JSDGXQMXBKJTTD-CYBMUJFWSA-N 0 3 350.419 1.359 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)c(C(F)(F)F)c1 ZINC000122823918 524622762 /nfs/dbraw/zinc/62/27/62/524622762.db2.gz LXBDRTFBMYNQMB-UHFFFAOYSA-N 0 3 353.322 1.598 20 5 FDBDHN Cc1[nH]ncc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159266685 524630350 /nfs/dbraw/zinc/63/03/50/524630350.db2.gz NTPMGUKITSRVKD-UHFFFAOYSA-N 0 3 365.415 1.133 20 5 FDBDHN CC(C)N1CCN(c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000123204075 524702348 /nfs/dbraw/zinc/70/23/48/524702348.db2.gz KTZUCBVPGUYCCO-UHFFFAOYSA-N 0 3 373.417 1.355 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000174727750 524709997 /nfs/dbraw/zinc/70/99/97/524709997.db2.gz IRHCTRJUIPLBCU-UHFFFAOYSA-N 0 3 350.419 1.594 20 5 FDBDHN CC(C)c1ccc([C@H](N)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000152004021 524751479 /nfs/dbraw/zinc/75/14/79/524751479.db2.gz MGNXVSLNASLIFC-MRXNPFEDSA-N 0 3 358.398 1.696 20 5 FDBDHN CC(C)C[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000152092026 524777753 /nfs/dbraw/zinc/77/77/53/524777753.db2.gz HUOQTIGYZMBBAY-NSHDSACASA-N 0 3 354.432 1.314 20 5 FDBDHN Cc1cc(=O)c(C(=O)N2CCC[C@@H]2CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000160165407 524823132 /nfs/dbraw/zinc/82/31/32/524823132.db2.gz VOGWAXLCCYOMQM-GFCCVEGCSA-N 0 3 357.370 1.012 20 5 FDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152528316 524916404 /nfs/dbraw/zinc/91/64/04/524916404.db2.gz ZYPFSWPUYLTSPY-ZDUSSCGKSA-N 0 3 358.398 1.984 20 5 FDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160654495 524941123 /nfs/dbraw/zinc/94/11/23/524941123.db2.gz CGDBXRXYTHOZMT-CYBMUJFWSA-N 0 3 367.471 1.896 20 5 FDBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000152725645 524982469 /nfs/dbraw/zinc/98/24/69/524982469.db2.gz VTPAQQONIHSGDG-HNNXBMFYSA-N 0 3 364.377 1.113 20 5 FDBDHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc([N+](=O)[O-])c1 ZINC000152767286 524999619 /nfs/dbraw/zinc/99/96/19/524999619.db2.gz MDEJQAIUUQMUAD-INIZCTEOSA-N 0 3 360.414 1.282 20 5 FDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152787145 525006920 /nfs/dbraw/zinc/00/69/20/525006920.db2.gz MZWOZVAWJCPYBY-QGZVFWFLSA-N 0 3 361.402 1.038 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161303440 525076500 /nfs/dbraw/zinc/07/65/00/525076500.db2.gz FLPRXPUGCLPMTE-UHFFFAOYSA-N 0 3 371.397 1.759 20 5 FDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000153086519 525103751 /nfs/dbraw/zinc/10/37/51/525103751.db2.gz WVIQHVRTZUPDJQ-UHFFFAOYSA-N 0 3 372.425 1.783 20 5 FDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCC[C@@H]1CO ZINC000161724834 525158048 /nfs/dbraw/zinc/15/80/48/525158048.db2.gz PYVMJTSZBBHGGN-OAHLLOKOSA-N 0 3 371.459 1.418 20 5 FDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000125811222 525238940 /nfs/dbraw/zinc/23/89/40/525238940.db2.gz YGMQGSPTJPPJEJ-UHFFFAOYSA-N 0 3 363.393 1.980 20 5 FDBDHN CN(C)CCN1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000126095792 525270843 /nfs/dbraw/zinc/27/08/43/525270843.db2.gz VTHDMOXXEJJDRF-OAHLLOKOSA-N 0 3 374.441 1.496 20 5 FDBDHN CCCN1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117258509 525292219 /nfs/dbraw/zinc/29/22/19/525292219.db2.gz JJEOMHJFPQOXAU-UHFFFAOYSA-N 0 3 358.398 1.994 20 5 FDBDHN C[C@H](C[S@@](C)=O)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126530176 525322991 /nfs/dbraw/zinc/32/29/91/525322991.db2.gz JYUAPGXKONJYFJ-JNDILOIQSA-N 0 3 355.416 1.592 20 5 FDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000104102765 525390687 /nfs/dbraw/zinc/39/06/87/525390687.db2.gz XOGUMWZYCKWFHD-UHFFFAOYSA-N 0 3 358.464 1.017 20 5 FDBDHN C[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000163490326 525415189 /nfs/dbraw/zinc/41/51/89/525415189.db2.gz VNXUJTRYSRPQNX-KRWDZBQOSA-N 0 3 358.402 1.357 20 5 FDBDHN Cn1cc(CN2CCN(CC(C)(C)O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129944821 525706567 /nfs/dbraw/zinc/70/65/67/525706567.db2.gz VZJAZERZQBTSMW-UHFFFAOYSA-N 0 3 373.457 1.884 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000171125756 525859560 /nfs/dbraw/zinc/85/95/60/525859560.db2.gz WZRGOQOSBYIGTK-UHFFFAOYSA-N 0 3 351.403 1.834 20 5 FDBDHN CCO[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181612340 525879350 /nfs/dbraw/zinc/87/93/50/525879350.db2.gz CSCOAGPAJAUSMZ-CABCVRRESA-N 0 3 371.459 1.666 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155594483 525917384 /nfs/dbraw/zinc/91/73/84/525917384.db2.gz COIJFIXPIDVNKJ-CYBMUJFWSA-N 0 3 372.429 1.837 20 5 FDBDHN CCc1n[nH]c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000171400254 525978272 /nfs/dbraw/zinc/97/82/72/525978272.db2.gz MNMDNYOCYNJLJF-UHFFFAOYSA-N 0 3 361.402 1.751 20 5 FDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000171412626 525983953 /nfs/dbraw/zinc/98/39/53/525983953.db2.gz AHECAMUEDYODDF-UHFFFAOYSA-N 0 3 364.446 1.892 20 5 FDBDHN CN1CCC[C@@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000108590966 525997762 /nfs/dbraw/zinc/99/77/62/525997762.db2.gz OWJMXZDJGSPGDW-HNNXBMFYSA-N 0 3 361.446 1.768 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000110061012 526219315 /nfs/dbraw/zinc/21/93/15/526219315.db2.gz XWUPLOVJCLTOTC-UHFFFAOYSA-N 0 3 351.403 1.940 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000183670277 536025726 /nfs/dbraw/zinc/02/57/26/536025726.db2.gz FEIQFBOJQFUKTJ-ZFWWWQNUSA-N 0 3 362.430 1.432 20 5 FDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184708756 536177631 /nfs/dbraw/zinc/17/76/31/536177631.db2.gz LBUCEAWOKNHIIX-UKRRQHHQSA-N 0 3 353.444 1.841 20 5 FDBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2)CC1 ZINC000187404472 536265458 /nfs/dbraw/zinc/26/54/58/536265458.db2.gz OCIOETKNKWHNLH-UHFFFAOYSA-N 0 3 370.413 1.966 20 5 FDBDHN COc1cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000266651326 536912921 /nfs/dbraw/zinc/91/29/21/536912921.db2.gz YNMGAGRBKSDBSQ-AWEZNQCLSA-N 0 3 350.375 1.301 20 5 FDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000267100831 536954413 /nfs/dbraw/zinc/95/44/13/536954413.db2.gz TXHQVEJDZDGWKS-UHFFFAOYSA-N 0 3 352.391 1.390 20 5 FDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COCc3ccco3)C2)nc1 ZINC000246507023 536969023 /nfs/dbraw/zinc/96/90/23/536969023.db2.gz IAXRQFUUHYXQEF-UKRRQHHQSA-N 0 3 362.386 1.647 20 5 FDBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247553600 537132914 /nfs/dbraw/zinc/13/29/14/537132914.db2.gz QEAWLPASDWLMSM-SQWLQELKSA-N 0 3 367.450 1.169 20 5 FDBDHN CCN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000264888462 537149665 /nfs/dbraw/zinc/14/96/65/537149665.db2.gz JIMZMZUWRJXNFW-INIZCTEOSA-N 0 3 362.430 1.576 20 5 FDBDHN C[C@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000265997390 537183042 /nfs/dbraw/zinc/18/30/42/537183042.db2.gz NYNFTEKHRCFWSF-RYUDHWBXSA-N 0 3 374.397 1.132 20 5 FDBDHN CC(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248467133 537186360 /nfs/dbraw/zinc/18/63/60/537186360.db2.gz SRAFIMKALVELDP-HUUCEWRRSA-N 0 3 351.403 1.183 20 5 FDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248701927 537207439 /nfs/dbraw/zinc/20/74/39/537207439.db2.gz AICXJYWZTLIADX-IUODEOHRSA-N 0 3 357.414 1.887 20 5 FDBDHN COc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191704520 537210889 /nfs/dbraw/zinc/21/08/89/537210889.db2.gz SLYKWLASJNADJK-CYBMUJFWSA-N 0 3 364.446 1.525 20 5 FDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278171977 537270527 /nfs/dbraw/zinc/27/05/27/537270527.db2.gz YZXDNFHBJDWXOV-MEBBXXQBSA-N 0 3 358.402 1.753 20 5 FDBDHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000272807749 537343928 /nfs/dbraw/zinc/34/39/28/537343928.db2.gz BKIDUHHPKAIPKJ-SNVBAGLBSA-N 0 3 350.375 1.141 20 5 FDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276240562 537356668 /nfs/dbraw/zinc/35/66/68/537356668.db2.gz QJBGJWQNAMUIET-UHFFFAOYSA-N 0 3 373.431 1.392 20 5 FDBDHN CN(C)CCOc1cc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000270690779 537367783 /nfs/dbraw/zinc/36/77/83/537367783.db2.gz WDUFWMSYDQCKEM-UHFFFAOYSA-N 0 3 374.397 1.625 20 5 FDBDHN CN(CCC(=O)OC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273324528 537429831 /nfs/dbraw/zinc/42/98/31/537429831.db2.gz KXMZOHVATTZLQN-CYBMUJFWSA-N 0 3 354.403 1.998 20 5 FDBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273525757 537457643 /nfs/dbraw/zinc/45/76/43/537457643.db2.gz SYUQYNFPOKWRDC-UHFFFAOYSA-N 0 3 373.431 1.232 20 5 FDBDHN CN1CC[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC000362475222 537597282 /nfs/dbraw/zinc/59/72/82/537597282.db2.gz XKFLZCLKEMWPAX-BLLLJJGKSA-N 0 3 356.386 1.342 20 5 FDBDHN COc1cc(C(=O)Nc2ccnn2CCN(C)C)cc([N+](=O)[O-])c1OC ZINC000293906667 537620804 /nfs/dbraw/zinc/62/08/04/537620804.db2.gz AASKJSQYBSOTQJ-UHFFFAOYSA-N 0 3 363.374 1.622 20 5 FDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289931795 537629958 /nfs/dbraw/zinc/62/99/58/537629958.db2.gz UYGKLJXCUWUOEF-OWCLPIDISA-N 0 3 365.430 1.130 20 5 FDBDHN CC(C)[C@@H](Cn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285327764 537685425 /nfs/dbraw/zinc/68/54/25/537685425.db2.gz UCKVOCZDZXFKMX-MRXNPFEDSA-N 0 3 366.443 1.879 20 5 FDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298516016 537722795 /nfs/dbraw/zinc/72/27/95/537722795.db2.gz ZGIOFHTWPMZNTP-OLZOCXBDSA-N 0 3 355.416 1.509 20 5 FDBDHN CN(C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000416301658 537790619 /nfs/dbraw/zinc/79/06/19/537790619.db2.gz MGNBXMAADSZDFJ-NSHDSACASA-N 0 3 366.443 1.471 20 5 FDBDHN CCNc1ccc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000410965654 538027886 /nfs/dbraw/zinc/02/78/86/538027886.db2.gz JOTLFDVFNPEEPG-DLBZAZTESA-N 0 3 362.430 1.962 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000377903171 538040607 /nfs/dbraw/zinc/04/06/07/538040607.db2.gz DZOROKZOWKRDFJ-QGZVFWFLSA-N 0 3 363.393 1.504 20 5 FDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000450481612 538132057 /nfs/dbraw/zinc/13/20/57/538132057.db2.gz BIPJBZBZNQXPDL-CXAGYDPISA-N 0 3 355.398 1.947 20 5 FDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000432541292 538155551 /nfs/dbraw/zinc/15/55/51/538155551.db2.gz IKMYYOJHRDUSRY-ZDUSSCGKSA-N 0 3 351.403 1.834 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(CC)CC ZINC000439745216 538195208 /nfs/dbraw/zinc/19/52/08/538195208.db2.gz MXKVWRDXFDYESP-LBPRGKRZSA-N 0 3 366.418 1.779 20 5 FDBDHN CC(C)(C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)n1cc([N+](=O)[O-])cn1 ZINC000424042056 538218584 /nfs/dbraw/zinc/21/85/84/538218584.db2.gz VUFNNZMZUUBBGW-DZGCQCFKSA-N 0 3 361.377 1.619 20 5 FDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440829637 538284917 /nfs/dbraw/zinc/28/49/17/538284917.db2.gz BEZYBMGOANWANW-UHFFFAOYSA-N 0 3 366.237 1.635 20 5 FDBDHN Cc1n[nH]c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425014637 538367924 /nfs/dbraw/zinc/36/79/24/538367924.db2.gz UCDHUYAMRWNPRZ-LSDHHAIUSA-N 0 3 355.398 1.973 20 5 FDBDHN Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425014637 538367930 /nfs/dbraw/zinc/36/79/30/538367930.db2.gz UCDHUYAMRWNPRZ-LSDHHAIUSA-N 0 3 355.398 1.973 20 5 FDBDHN C[C@@H](Cc1ccoc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449097197 538419149 /nfs/dbraw/zinc/41/91/49/538419149.db2.gz CBNBAFYWSZUTPQ-LBPRGKRZSA-N 0 3 353.400 1.687 20 5 FDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000453953976 538479875 /nfs/dbraw/zinc/47/98/75/538479875.db2.gz DBDAILSHBMGUIH-QMMMGPOBSA-N 0 3 373.207 1.362 20 5 FDBDHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000486625996 538539595 /nfs/dbraw/zinc/53/95/95/538539595.db2.gz JYWMNSATPONEDZ-CYBMUJFWSA-N 0 3 371.397 1.873 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000481892257 538593679 /nfs/dbraw/zinc/59/36/79/538593679.db2.gz LFVXPUKSVFNMGF-UHFFFAOYSA-N 0 3 373.413 1.215 20 5 FDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000560582787 545549407 /nfs/dbraw/zinc/54/94/07/545549407.db2.gz HTGXZGQGAAJJMW-NWDGAFQWSA-N 0 3 369.443 1.867 20 5 FDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472629687 538677094 /nfs/dbraw/zinc/67/70/94/538677094.db2.gz VQFBXVZEENDUDD-IINYFYTJSA-N 0 3 352.366 1.517 20 5 FDBDHN CC(C(=O)NCCc1ccccc1[N+](=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000467994410 538710406 /nfs/dbraw/zinc/71/04/06/538710406.db2.gz ORFHFMSRFFBIQK-LBPRGKRZSA-N 0 3 370.427 1.236 20 5 FDBDHN COc1cnccc1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000478435768 538741419 /nfs/dbraw/zinc/74/14/19/538741419.db2.gz DQJXBBCYZRTQTE-UHFFFAOYSA-N 0 3 356.382 1.890 20 5 FDBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562630136 546201925 /nfs/dbraw/zinc/20/19/25/546201925.db2.gz AVJAXDAFKKUFEA-INIZCTEOSA-N 0 3 355.398 1.208 20 5 FDBDHN O=C1CCCN1Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562987668 546343662 /nfs/dbraw/zinc/34/36/62/546343662.db2.gz IXWROPYNHHPWOU-KRWDZBQOSA-N 0 3 373.413 1.064 20 5 FDBDHN Cc1ccc(Cl)c(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000562997058 546347122 /nfs/dbraw/zinc/34/71/22/546347122.db2.gz QFOCFSPRKNPWHF-CYBMUJFWSA-N 0 3 354.794 1.783 20 5 FDBDHN Cc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563137597 546419951 /nfs/dbraw/zinc/41/99/51/546419951.db2.gz HRCFNRTZOMYESP-WMZOPIPTSA-N 0 3 360.410 1.836 20 5 FDBDHN Nc1nccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000563393186 546516777 /nfs/dbraw/zinc/51/67/77/546516777.db2.gz BWYXBDYPGAAEGS-CYBMUJFWSA-N 0 3 357.370 1.391 20 5 FDBDHN N[C@H]1C[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433169 546534185 /nfs/dbraw/zinc/53/41/85/546534185.db2.gz QYYJXEIEYKLYNJ-ZBFHGGJFSA-N 0 3 356.382 1.599 20 5 FDBDHN Cc1cc(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000565829102 547498336 /nfs/dbraw/zinc/49/83/36/547498336.db2.gz VJOBGJNZKBKRPN-NSHDSACASA-N 0 3 352.416 1.621 20 5 FDBDHN Cc1cc(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000565829102 547498339 /nfs/dbraw/zinc/49/83/39/547498339.db2.gz VJOBGJNZKBKRPN-NSHDSACASA-N 0 3 352.416 1.621 20 5 FDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000566320673 547711787 /nfs/dbraw/zinc/71/17/87/547711787.db2.gz UNHIXNIQOGDFLV-GOSISDBHSA-N 0 3 357.414 1.881 20 5 FDBDHN CNc1nccc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000566466007 547771855 /nfs/dbraw/zinc/77/18/55/547771855.db2.gz NTZSZWWZWAHUKS-UHFFFAOYSA-N 0 3 373.413 2.533 20 5 FDBDHN C[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566585489 547816743 /nfs/dbraw/zinc/81/67/43/547816743.db2.gz RPMLCMZXUANAMB-CZUORRHYSA-N 0 3 370.475 1.906 20 5 FDBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000570922318 549460885 /nfs/dbraw/zinc/46/08/85/549460885.db2.gz ORTMRZXBKQITIO-CQSZACIVSA-N 0 3 372.443 1.282 20 5 FDBDHN COc1ccc2c(c1)OC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000571040123 549503023 /nfs/dbraw/zinc/50/30/23/549503023.db2.gz UCFAFPHPNSGVOZ-CABCVRRESA-N 0 3 374.393 1.936 20 5 FDBDHN COc1cc(CN(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000571806255 549769544 /nfs/dbraw/zinc/76/95/44/549769544.db2.gz NOEAPIFLQYWQRK-UHFFFAOYSA-N 0 3 366.462 1.681 20 5 FDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573697240 550195114 /nfs/dbraw/zinc/19/51/14/550195114.db2.gz SMEPQNHGDWOZBQ-HNNXBMFYSA-N 0 3 373.331 1.800 20 5 FDBDHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000574745433 550363556 /nfs/dbraw/zinc/36/35/56/550363556.db2.gz FBJFMUZFEXFHCG-HNNXBMFYSA-N 0 3 356.448 1.345 20 5 FDBDHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575970616 550496347 /nfs/dbraw/zinc/49/63/47/550496347.db2.gz GHFSJJHYJNPCPL-UHFFFAOYSA-N 0 3 366.377 1.721 20 5 FDBDHN CN(C)CCOCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576560232 550562205 /nfs/dbraw/zinc/56/22/05/550562205.db2.gz ICYFQHVAHMEHSZ-UHFFFAOYSA-N 0 3 363.418 1.496 20 5 FDBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000578165640 550735204 /nfs/dbraw/zinc/73/52/04/550735204.db2.gz IKYWQHOQWOIXLE-SWLSCSKDSA-N 0 3 362.430 1.318 20 5 FDBDHN N[C@@H]1C[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCN2C1=O ZINC000578644148 550786436 /nfs/dbraw/zinc/78/64/36/550786436.db2.gz OQBQVQIKJVYZMV-HUUCEWRRSA-N 0 3 373.438 1.462 20 5 FDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2Cc3ccccc3O2)cc1 ZINC000580356596 550970797 /nfs/dbraw/zinc/97/07/97/550970797.db2.gz KUNMWXIVUCGCHY-OAHLLOKOSA-N 0 3 362.407 1.962 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000581021483 551044082 /nfs/dbraw/zinc/04/40/82/551044082.db2.gz SZKOSTCLZFOEOK-NWDGAFQWSA-N 0 3 351.432 1.224 20 5 FDBDHN CCc1nn(C)c(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582262533 551198509 /nfs/dbraw/zinc/19/85/09/551198509.db2.gz DMLPUYPSACYNNG-GOSISDBHSA-N 0 3 359.430 1.940 20 5 FDBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000582280408 551200264 /nfs/dbraw/zinc/20/02/64/551200264.db2.gz NMZUDXLBAKOZBJ-KSSFIOAISA-N 0 3 372.473 1.929 20 5 FDBDHN CN(C)CCn1nccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000582609604 551247769 /nfs/dbraw/zinc/24/77/69/551247769.db2.gz SPCNZYZJXARYKP-UHFFFAOYSA-N 0 3 370.369 1.859 20 5 FDBDHN O=C1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000583929547 551421916 /nfs/dbraw/zinc/42/19/16/551421916.db2.gz POZRGOZOQKCTDR-HOCLYGCPSA-N 0 3 371.393 1.730 20 5 FDBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000584487878 551504982 /nfs/dbraw/zinc/50/49/82/551504982.db2.gz ACSVEYAINRJEMZ-UKRRQHHQSA-N 0 3 370.475 1.825 20 5 FDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000584664641 551525838 /nfs/dbraw/zinc/52/58/38/551525838.db2.gz LRYWENVGZFSARI-QGZVFWFLSA-N 0 3 365.455 1.893 20 5 FDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000584874484 551563777 /nfs/dbraw/zinc/56/37/77/551563777.db2.gz FDJVIDWJVXHAFZ-UHFFFAOYSA-N 0 3 366.418 1.523 20 5 FDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000585814975 551610417 /nfs/dbraw/zinc/61/04/17/551610417.db2.gz YOVLESCWSCMEPK-STQMWFEESA-N 0 3 365.434 1.767 20 5 FDBDHN COC1CCN(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587993824 551638803 /nfs/dbraw/zinc/63/88/03/551638803.db2.gz WCHSCGNJZCPBGU-UHFFFAOYSA-N 0 3 363.418 1.308 20 5 FDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860579 551694182 /nfs/dbraw/zinc/69/41/82/551694182.db2.gz IUKYCCZOIISPCT-OLZOCXBDSA-N 0 3 372.381 1.130 20 5 FDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590047150 551757945 /nfs/dbraw/zinc/75/79/45/551757945.db2.gz VHFIYVWSUOMFNL-DOMZBBRYSA-N 0 3 372.381 1.024 20 5 FDBDHN Cc1ccn(-c2ccccc2CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591756033 551906358 /nfs/dbraw/zinc/90/63/58/551906358.db2.gz JATHQZOGGWMLIN-INIZCTEOSA-N 0 3 356.386 1.436 20 5 FDBDHN CCOc1ccc2c(c1)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591761112 551906998 /nfs/dbraw/zinc/90/69/98/551906998.db2.gz VZIKOYDJYCBALP-CZUORRHYSA-N 0 3 362.386 1.664 20 5 FDBDHN CN1CCC2(CC1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000592102861 551942056 /nfs/dbraw/zinc/94/20/56/551942056.db2.gz AYJFOSAZWPSXEG-UHFFFAOYSA-N 0 3 355.416 1.080 20 5 FDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000592367302 551984910 /nfs/dbraw/zinc/98/49/10/551984910.db2.gz OPJAXRJBAPQUBU-SECBINFHSA-N 0 3 367.349 1.892 20 5 FDBDHN CCCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832788 552033525 /nfs/dbraw/zinc/03/35/25/552033525.db2.gz WCMOMIMDGWGKOQ-CZUORRHYSA-N 0 3 362.430 1.656 20 5 FDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592881545 552038537 /nfs/dbraw/zinc/03/85/37/552038537.db2.gz TVKDUAGFCYEKLA-GFCCVEGCSA-N 0 3 366.443 1.265 20 5 FDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593465814 552112803 /nfs/dbraw/zinc/11/28/03/552112803.db2.gz UGCACXKKDOLHJJ-GOSISDBHSA-N 0 3 369.425 1.886 20 5 FDBDHN CN1CCC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000593471753 552114052 /nfs/dbraw/zinc/11/40/52/552114052.db2.gz ZXEFDNCTTOJQGC-MRXNPFEDSA-N 0 3 364.421 1.515 20 5 FDBDHN Nc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593495348 552117589 /nfs/dbraw/zinc/11/75/89/552117589.db2.gz DMMYEUCRTNEMHH-HOTGVXAUSA-N 0 3 370.413 1.447 20 5 FDBDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593601969 552149128 /nfs/dbraw/zinc/14/91/28/552149128.db2.gz ABJKBNSFMZAAPP-ZDUSSCGKSA-N 0 3 356.448 1.779 20 5 FDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594196795 552263436 /nfs/dbraw/zinc/26/34/36/552263436.db2.gz MSPXWWVWBXJIDE-NVXWUHKLSA-N 0 3 370.413 1.922 20 5 FDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000594452656 552313789 /nfs/dbraw/zinc/31/37/89/552313789.db2.gz SMMXAKPMFGRCDB-LBPRGKRZSA-N 0 3 371.319 1.767 20 5 FDBDHN Cc1ccc(NCCCNC(=O)N[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594524339 552327720 /nfs/dbraw/zinc/32/77/20/552327720.db2.gz IDVRZCKPDLFODP-LBPRGKRZSA-N 0 3 363.340 1.894 20 5 FDBDHN NC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594535916 552330496 /nfs/dbraw/zinc/33/04/96/552330496.db2.gz IFKJOWJUQPJVOK-GFCCVEGCSA-N 0 3 361.324 1.316 20 5 FDBDHN CCC(C)(C)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000594594301 552338803 /nfs/dbraw/zinc/33/88/03/552338803.db2.gz NOHYQTWDCWFGIV-UHFFFAOYSA-N 0 3 356.448 1.553 20 5 FDBDHN NS(=O)(=O)c1c(N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594601954 552339375 /nfs/dbraw/zinc/33/93/75/552339375.db2.gz PWZZZRCKCLYASV-DGCLKSJQSA-N 0 3 354.432 1.671 20 5 FDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)cc1C ZINC000594822255 552398838 /nfs/dbraw/zinc/39/88/38/552398838.db2.gz UBELWIZXLKMCLK-UHFFFAOYSA-N 0 3 372.491 1.373 20 5 FDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595397838 552548770 /nfs/dbraw/zinc/54/87/70/552548770.db2.gz SQRWYSHKABCUFJ-OAHLLOKOSA-N 0 3 350.394 1.648 20 5 FDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1COCCO1 ZINC000595736037 552608838 /nfs/dbraw/zinc/60/88/38/552608838.db2.gz LNWVSZNBCBXGIR-CYBMUJFWSA-N 0 3 353.375 1.279 20 5 FDBDHN C[C@@H](NC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596045780 552649281 /nfs/dbraw/zinc/64/92/81/552649281.db2.gz FRDOYWZUCJININ-HIFRSBDPSA-N 0 3 362.430 1.765 20 5 FDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048847 552649780 /nfs/dbraw/zinc/64/97/80/552649780.db2.gz DTKJYEXIHARTKF-LLVKDONJSA-N 0 3 353.322 1.644 20 5 FDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1N1CCCC1 ZINC000596195589 552663689 /nfs/dbraw/zinc/66/36/89/552663689.db2.gz NVEABIJCVIDJFO-GJZGRUSLSA-N 0 3 350.444 1.710 20 5 FDBDHN CCCN(CCN1CCCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596231524 552666834 /nfs/dbraw/zinc/66/68/34/552666834.db2.gz KKZFITQJEKNHOF-UHFFFAOYSA-N 0 3 356.448 1.554 20 5 FDBDHN C[C@H](CN1CCC(C)CC1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596487550 552683304 /nfs/dbraw/zinc/68/33/04/552683304.db2.gz HGUARENVLPDBSY-GFCCVEGCSA-N 0 3 356.448 1.775 20 5 FDBDHN Nc1c(NC(=O)NC[C@H]2CCCN2CCCO)cc(Cl)cc1[N+](=O)[O-] ZINC000597092437 552745803 /nfs/dbraw/zinc/74/58/03/552745803.db2.gz LCVVREPHDCHNFO-LLVKDONJSA-N 0 3 371.825 1.799 20 5 FDBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)CC(=O)N(C)C ZINC000597206472 552760321 /nfs/dbraw/zinc/76/03/21/552760321.db2.gz SHCUARZGVAEKIF-UHFFFAOYSA-N 0 3 352.435 1.445 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000597244171 552764983 /nfs/dbraw/zinc/76/49/83/552764983.db2.gz JTTOXOFUOORJFD-HAQNSBGRSA-N 0 3 352.343 1.188 20 5 FDBDHN C[C@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597574884 552806878 /nfs/dbraw/zinc/80/68/78/552806878.db2.gz SXCPYQJGKZEETI-YVEFUNNKSA-N 0 3 353.394 1.753 20 5 FDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597574255 552806958 /nfs/dbraw/zinc/80/69/58/552806958.db2.gz OIVHOPTUZVIQLD-SFHVURJKSA-N 0 3 367.421 1.927 20 5 FDBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000597693628 552822806 /nfs/dbraw/zinc/82/28/06/552822806.db2.gz WXUDAGKHTMZFSM-JSGCOSHPSA-N 0 3 365.434 1.230 20 5 FDBDHN CN1CCN(CC2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597696050 552823181 /nfs/dbraw/zinc/82/31/81/552823181.db2.gz VBLABCGARPNKBE-ZWKOTPCHSA-N 0 3 358.442 1.404 20 5 FDBDHN CCCN1CC[C@H](NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598341435 552886976 /nfs/dbraw/zinc/88/69/76/552886976.db2.gz BKAWZAFTIFRLMM-STQMWFEESA-N 0 3 352.439 1.428 20 5 FDBDHN CCCN(C)CC(C)(C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000598465611 552899365 /nfs/dbraw/zinc/89/93/65/552899365.db2.gz GQAFKBDMZYZCKX-UHFFFAOYSA-N 0 3 371.459 1.849 20 5 FDBDHN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@@H](N2CCCC2)C1 ZINC000598590190 552912232 /nfs/dbraw/zinc/91/22/32/552912232.db2.gz LWUWAHCQTNBIIF-CQSZACIVSA-N 0 3 362.434 1.286 20 5 FDBDHN C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000598591647 552912550 /nfs/dbraw/zinc/91/25/50/552912550.db2.gz XOURCCSDOSUEFC-KGLIPLIRSA-N 0 3 364.450 1.896 20 5 FDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897297 552940941 /nfs/dbraw/zinc/94/09/41/552940941.db2.gz CFHWEGDBCQMPDJ-DOMZBBRYSA-N 0 3 363.418 1.515 20 5 FDBDHN CC(C)N1CC[C@H](N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598903439 552942420 /nfs/dbraw/zinc/94/24/20/552942420.db2.gz MVLIABHSUTVBEG-HNNXBMFYSA-N 0 3 363.418 1.657 20 5 FDBDHN CN(CCN1CCCCC1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598910897 552943498 /nfs/dbraw/zinc/94/34/98/552943498.db2.gz YEBICHWMIXDOGS-UHFFFAOYSA-N 0 3 363.418 1.661 20 5 FDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598962664 552951784 /nfs/dbraw/zinc/95/17/84/552951784.db2.gz DBZYADGGLJCWHB-XBFCOCLRSA-N 0 3 353.444 1.897 20 5 FDBDHN COC(=O)COc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599009813 552957651 /nfs/dbraw/zinc/95/76/51/552957651.db2.gz LXMOTXADAVQEJG-CZUORRHYSA-N 0 3 350.371 1.804 20 5 FDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599627787 553107167 /nfs/dbraw/zinc/10/71/67/553107167.db2.gz ZDNOQXQITAWKKD-UASCKYALSA-N 0 3 351.359 1.664 20 5 FDBDHN CCN(CCN)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599891603 553169191 /nfs/dbraw/zinc/16/91/91/553169191.db2.gz OWANMOOWMHJJEM-UHFFFAOYSA-N 0 3 373.207 1.411 20 5 FDBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000599937686 553178428 /nfs/dbraw/zinc/17/84/28/553178428.db2.gz IAUZPUPEPQWFLJ-KGLIPLIRSA-N 0 3 365.405 1.679 20 5 FDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599940571 553179993 /nfs/dbraw/zinc/17/99/93/553179993.db2.gz QDHPYHZFQMYMSB-ZYHUDNBSSA-N 0 3 355.341 1.083 20 5 FDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229922 553233109 /nfs/dbraw/zinc/23/31/09/553233109.db2.gz XRJZJOWSJMIKGV-QGZVFWFLSA-N 0 3 374.441 1.848 20 5 FDBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600473959 553273703 /nfs/dbraw/zinc/27/37/03/553273703.db2.gz VTEUFHCLTOLJOR-MRXNPFEDSA-N 0 3 374.441 1.766 20 5 FDBDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000600777632 553314019 /nfs/dbraw/zinc/31/40/19/553314019.db2.gz VRDDQUBPWGJTSG-UHFFFAOYSA-N 0 3 355.301 1.440 20 5 FDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)n1 ZINC000603145976 553715421 /nfs/dbraw/zinc/71/54/21/553715421.db2.gz PAUSGPDKLQFLMI-GXTWGEPZSA-N 0 3 358.320 1.915 20 5 FDBDHN O=[N+]([O-])c1c(N[C@H]2CCN(C3CC3)C2)ncnc1N[C@H]1CCN(C2CC2)C1 ZINC000603279146 553752112 /nfs/dbraw/zinc/75/21/12/553752112.db2.gz NOAISZUSWNTTRA-STQMWFEESA-N 0 3 373.461 1.682 20 5 FDBDHN Cn1cc(C(=O)N2CCN3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604502272 553882182 /nfs/dbraw/zinc/88/21/82/553882182.db2.gz JZXPSZSTEYPSTG-HNNXBMFYSA-N 0 3 355.398 1.916 20 5 FDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000609532593 554388169 /nfs/dbraw/zinc/38/81/69/554388169.db2.gz NCVRUVCLNDLGMX-MLGOLLRUSA-N 0 3 360.414 1.266 20 5 FDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(CC)CC1 ZINC000609840707 554427857 /nfs/dbraw/zinc/42/78/57/554427857.db2.gz QJTQLDXTCDAGNM-CYBMUJFWSA-N 0 3 352.439 1.428 20 5 FDBDHN CCN(CC)CC(=O)N1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000610276098 554485606 /nfs/dbraw/zinc/48/56/06/554485606.db2.gz NRUJOQOOFKHTFJ-UHFFFAOYSA-N 0 3 350.419 1.594 20 5 FDBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335723 554493003 /nfs/dbraw/zinc/49/30/03/554493003.db2.gz VNMNRKVRQCSKRW-KRWDZBQOSA-N 0 3 373.413 1.176 20 5 FDBDHN COC1CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000610573076 554532418 /nfs/dbraw/zinc/53/24/18/554532418.db2.gz VCCNPGWUDLOOJO-UHFFFAOYSA-N 0 3 351.403 1.591 20 5 FDBDHN COC1CCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000610573106 554532598 /nfs/dbraw/zinc/53/25/98/554532598.db2.gz YZGVMZFIKDJEDZ-UHFFFAOYSA-N 0 3 374.397 1.689 20 5 FDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000610768749 554559971 /nfs/dbraw/zinc/55/99/71/554559971.db2.gz FVCRVHMAUSZKAA-AWEZNQCLSA-N 0 3 351.790 1.903 20 5 FDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000611753584 554675589 /nfs/dbraw/zinc/67/55/89/554675589.db2.gz XZXSJDTWTIZSRG-UHFFFAOYSA-N 0 3 363.414 1.930 20 5 FDBDHN CC[C@H](CN1CCCC1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000611843673 554689435 /nfs/dbraw/zinc/68/94/35/554689435.db2.gz YWKDSQSJXYVIIU-OAHLLOKOSA-N 0 3 362.430 1.624 20 5 FDBDHN Cc1cc(NCCCN(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000611919063 554702023 /nfs/dbraw/zinc/70/20/23/554702023.db2.gz ZQZNUPJAGVWUCU-UHFFFAOYSA-N 0 3 352.416 1.567 20 5 FDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000481711187 568091646 /nfs/dbraw/zinc/09/16/46/568091646.db2.gz YQOZVHREMYRFGD-HNNXBMFYSA-N 0 3 373.413 1.215 20 5 FDBDHN CS[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000272023825 674406399 /nfs/dbraw/zinc/40/63/99/674406399.db2.gz LUVDPYLORLIPAJ-HOTGVXAUSA-N 0 3 364.471 1.461 20 5 FDBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823647985 599452987 /nfs/dbraw/zinc/45/29/87/599452987.db2.gz RIRYBAUPTYNXEB-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823647985 599452990 /nfs/dbraw/zinc/45/29/90/599452990.db2.gz RIRYBAUPTYNXEB-UHFFFAOYSA-N 0 3 364.369 1.755 20 5 FDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C2OCCO2)CC1 ZINC000273077655 674503588 /nfs/dbraw/zinc/50/35/88/674503588.db2.gz WYMFEGQKVLFMHY-CQSZACIVSA-N 0 3 352.387 1.419 20 5 FDBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000273452067 674538786 /nfs/dbraw/zinc/53/87/86/674538786.db2.gz OVGBGJHSFKGKNQ-KFWWJZLASA-N 0 3 354.428 1.772 20 5 FDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000138547517 671847953 /nfs/dbraw/zinc/84/79/53/671847953.db2.gz XTBVNMGHOXMDKJ-UHFFFAOYSA-N 0 3 352.347 1.344 20 5 FDBDHN CCOC(=O)c1ccnc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265577984 672945040 /nfs/dbraw/zinc/94/50/40/672945040.db2.gz MRAZWSYZXIBONG-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC(C(=O)OC)CC1 ZINC000280647938 675444383 /nfs/dbraw/zinc/44/43/83/675444383.db2.gz FAIOCPMFTPLWRF-UHFFFAOYSA-N 0 3 353.423 1.807 20 5 FDBDHN CCCc1n[nH]c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281778528 675558511 /nfs/dbraw/zinc/55/85/11/675558511.db2.gz MVIJVXHOTAECEX-UHFFFAOYSA-N 0 3 352.439 1.026 20 5 FDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284205957 675673540 /nfs/dbraw/zinc/67/35/40/675673540.db2.gz SRDVZPVLFPERTH-LBPRGKRZSA-N 0 3 352.391 1.780 20 5 FDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284205952 675673676 /nfs/dbraw/zinc/67/36/76/675673676.db2.gz SRDVZPVLFPERTH-GFCCVEGCSA-N 0 3 352.391 1.780 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1N1CCCC1 ZINC000332075789 676736706 /nfs/dbraw/zinc/73/67/06/676736706.db2.gz FWPRUHJQUXQQIU-CHWSQXEVSA-N 0 3 351.432 1.224 20 5 FDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Sc3ccccn3)CC2)c1 ZINC000363645004 676966840 /nfs/dbraw/zinc/96/68/40/676966840.db2.gz LTIKIHSDBDVPLW-AWEZNQCLSA-N 0 3 363.443 1.804 20 5 FDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370264708 677558645 /nfs/dbraw/zinc/55/86/45/677558645.db2.gz CIYKOGGGQFWGBF-MEDUHNTESA-N 0 3 350.394 1.966 20 5 FDBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422976625 680769552 /nfs/dbraw/zinc/76/95/52/680769552.db2.gz DISOOLUWTCSWBU-LLVKDONJSA-N 0 3 365.415 1.031 20 5 FDBDHN CSc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377513309 678551934 /nfs/dbraw/zinc/55/19/34/678551934.db2.gz SQPVPQYZUDOGAD-CHWSQXEVSA-N 0 3 351.428 1.910 20 5 FDBDHN COc1ccc(NC(=O)CCNC2(C(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000411914445 679095222 /nfs/dbraw/zinc/09/52/22/679095222.db2.gz QDTICICKWSDHIE-UHFFFAOYSA-N 0 3 350.375 1.142 20 5 FDBDHN COc1cc(CNC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415099982 679381186 /nfs/dbraw/zinc/38/11/86/679381186.db2.gz ZYTMZBQTZWMWPR-LLVKDONJSA-N 0 3 361.345 1.325 20 5 FDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCNC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420328600 680432002 /nfs/dbraw/zinc/43/20/02/680432002.db2.gz HSLGGWUUEJBPMU-BZNIZROVSA-N 0 3 354.382 1.564 20 5 FDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420435488 680449465 /nfs/dbraw/zinc/44/94/65/680449465.db2.gz HAJCXUPZNHUKKK-BQBZGAKWSA-N 0 3 352.210 1.371 20 5 FDBDHN C[C@@H]1[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1C ZINC000426211648 680952066 /nfs/dbraw/zinc/95/20/66/680952066.db2.gz UQZAOLHTSKBOBF-OCCSQVGLSA-N 0 3 350.423 1.621 20 5 FDBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000474881030 685547267 /nfs/dbraw/zinc/54/72/67/685547267.db2.gz WREAIOSIOZEHSA-UHFFFAOYSA-N 0 3 350.419 1.361 20 5 FDBDHN CCOC(=O)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451135888 682825926 /nfs/dbraw/zinc/82/59/26/682825926.db2.gz MZGMJJXSCBBGLT-OAHLLOKOSA-N 0 3 350.371 1.485 20 5 FDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(S(C)(=O)=O)CC1 ZINC000475429515 685596805 /nfs/dbraw/zinc/59/68/05/685596805.db2.gz RSCBBKWZTAYGEF-LLVKDONJSA-N 0 3 355.416 1.479 20 5 FDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000452791559 683119604 /nfs/dbraw/zinc/11/96/04/683119604.db2.gz DOPMLZZKBBMANM-CQSZACIVSA-N 0 3 351.403 1.327 20 5 FDBDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472568878 685220499 /nfs/dbraw/zinc/22/04/99/685220499.db2.gz WBOZBFAGQTWKRP-LLVKDONJSA-N 0 3 352.366 1.663 20 5 FDBDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472713433 685238378 /nfs/dbraw/zinc/23/83/78/685238378.db2.gz JPZGLGQJHROKCD-UHFFFAOYSA-N 0 3 354.382 1.719 20 5 FDBDHN CNC(=O)[C@H](CCSC)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489854804 687117942 /nfs/dbraw/zinc/11/79/42/687117942.db2.gz DHYVQCKYDQIWTK-RISCZKNCSA-N 0 3 368.459 1.769 20 5 FDBDHN COc1cc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000510811262 689424825 /nfs/dbraw/zinc/42/48/25/689424825.db2.gz OPIDOHFMQUEPSK-QWHCGFSZSA-N 0 3 357.432 1.553 20 5 FDBDHN CS[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1N(C)C ZINC000537924922 694910069 /nfs/dbraw/zinc/91/00/69/694910069.db2.gz WRBQINNRXMJIFA-SMDDNHRTSA-N 0 3 353.400 1.441 20 5 FDBDHN