smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000769625902 1078479451 /nfs/dbraw/zinc/47/94/51/1078479451.db2.gz UAWQDAAKIQAGFH-UHFFFAOYSA-N 0 0 415.406 2.149 20 5 HEBDRN Cn1c(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)nnc1C1CCC1 ZINC000769665877 1078505670 /nfs/dbraw/zinc/50/56/70/1078505670.db2.gz WUXHXUAALFFSML-UHFFFAOYSA-N 0 0 413.390 2.001 20 5 HEBDRN C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000769667312 1078506186 /nfs/dbraw/zinc/50/61/86/1078506186.db2.gz FUIIPLUNZXAYAL-GFCCVEGCSA-N 0 0 411.370 2.432 20 5 HEBDRN O=C(OCc1nc(-c2ccccn2)no1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769667254 1078506809 /nfs/dbraw/zinc/50/68/09/1078506809.db2.gz DMTXOWJSTRNHGM-UHFFFAOYSA-N 0 0 423.341 2.050 20 5 HEBDRN CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769668050 1078507569 /nfs/dbraw/zinc/50/75/69/1078507569.db2.gz AOEKYQPMPRZKLL-NSHDSACASA-N 0 0 405.407 2.098 20 5 HEBDRN O=C(OCc1nncn1-c1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769669698 1078509305 /nfs/dbraw/zinc/50/93/05/1078509305.db2.gz NHXNXSLAMMPMKE-UHFFFAOYSA-N 0 0 421.369 2.186 20 5 HEBDRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000769703475 1078526733 /nfs/dbraw/zinc/52/67/33/1078526733.db2.gz NPYACRHOAXQIBV-INIZCTEOSA-N 0 0 402.432 2.339 20 5 HEBDRN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000769759198 1078543622 /nfs/dbraw/zinc/54/36/22/1078543622.db2.gz YWBNWBDIXUFVCE-VPZZIHKRSA-N 0 0 423.466 2.258 20 5 HEBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn(Cc2ccccn2)nn1 ZINC000745578338 1078550524 /nfs/dbraw/zinc/55/05/24/1078550524.db2.gz SOFLMLNJFAKZIM-UHFFFAOYSA-N 0 0 407.346 2.037 20 5 HEBDRN O=C(COC(=O)c1cn(Cc2ccccn2)nn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000745582028 1078552643 /nfs/dbraw/zinc/55/26/43/1078552643.db2.gz VLZANRSTUNTITF-UHFFFAOYSA-N 0 0 416.781 2.079 20 5 HEBDRN O=C(Cc1cc(F)ccc1F)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000745549266 1078544613 /nfs/dbraw/zinc/54/46/13/1078544613.db2.gz PCIUKKMOOCYTAA-UHFFFAOYSA-N 0 0 419.384 2.308 20 5 HEBDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000745594552 1078557569 /nfs/dbraw/zinc/55/75/69/1078557569.db2.gz XOHXQWGUKOUQOR-QGZVFWFLSA-N 0 0 411.414 2.237 20 5 HEBDRN CN(CC(=O)OCC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1[N+](=O)[O-] ZINC000745616633 1078560587 /nfs/dbraw/zinc/56/05/87/1078560587.db2.gz XPWNDMKQICITMP-UHFFFAOYSA-N 0 0 415.377 2.481 20 5 HEBDRN COc1ccccc1CNC(=O)[C@@H](C)OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745615400 1078567785 /nfs/dbraw/zinc/56/77/85/1078567785.db2.gz VAXNMXXKBYNGAY-CQSZACIVSA-N 0 0 401.419 2.288 20 5 HEBDRN C[C@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1nnc(-c2ccccc2)n1 ZINC000745684291 1078597560 /nfs/dbraw/zinc/59/75/60/1078597560.db2.gz ZNSCTBLMNVAVNK-LLVKDONJSA-N 0 0 414.353 2.130 20 5 HEBDRN CCOC(=O)c1cnn2c1nccc2C(=O)OCc1cc([N+](=O)[O-])ccc1OC ZINC000769853479 1078613520 /nfs/dbraw/zinc/61/35/20/1078613520.db2.gz YMTJPYXIFUWIDT-UHFFFAOYSA-N 0 0 400.347 2.180 20 5 HEBDRN CCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769893725 1078615874 /nfs/dbraw/zinc/61/58/74/1078615874.db2.gz XBNMXTPFANNYFV-UHFFFAOYSA-N 0 0 403.888 2.484 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000745765982 1078627363 /nfs/dbraw/zinc/62/73/63/1078627363.db2.gz RCFHJYRTRPFLQW-UHFFFAOYSA-N 0 0 417.393 2.153 20 5 HEBDRN COc1ccccc1C(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000745764736 1078629302 /nfs/dbraw/zinc/62/93/02/1078629302.db2.gz FGSWQMNJDRTHTF-UHFFFAOYSA-N 0 0 417.393 2.106 20 5 HEBDRN CCOC(=O)C1=C(COc2c(Br)cccc2[N+](=O)[O-])NC(=O)N[C@@H]1C ZINC000769872965 1078639099 /nfs/dbraw/zinc/63/90/99/1078639099.db2.gz NPARIBVPDFVTSX-MRVPVSSYSA-N 0 0 414.212 2.255 20 5 HEBDRN CNC(=O)[C@H](NC(=O)COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000769881343 1078641855 /nfs/dbraw/zinc/64/18/55/1078641855.db2.gz IBKFJXOMVAQYEJ-GOSISDBHSA-N 0 0 413.430 2.280 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000769893604 1078646553 /nfs/dbraw/zinc/64/65/53/1078646553.db2.gz SOHRQHHNTHHWCF-BETUJISGSA-N 0 0 405.904 2.334 20 5 HEBDRN C[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000745882813 1078685775 /nfs/dbraw/zinc/68/57/75/1078685775.db2.gz JUNKECLBPYQCPA-NXOUGTEYSA-N 0 0 423.853 2.409 20 5 HEBDRN CCC(CC)(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000745940964 1078697176 /nfs/dbraw/zinc/69/71/76/1078697176.db2.gz LNYXYEBPDVEECB-UHFFFAOYSA-N 0 0 402.473 2.352 20 5 HEBDRN COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)ccc1C ZINC000745936385 1078702012 /nfs/dbraw/zinc/70/20/12/1078702012.db2.gz MLSBTPDBGSOTKP-UHFFFAOYSA-N 0 0 409.372 2.244 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@@H](C)CC2(C)OCCO2)c([N+](=O)[O-])c1 ZINC000745972817 1078714882 /nfs/dbraw/zinc/71/48/82/1078714882.db2.gz IZMWKQMSZJVDOZ-QWHCGFSZSA-N 0 0 409.439 2.087 20 5 HEBDRN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992135 1078723692 /nfs/dbraw/zinc/72/36/92/1078723692.db2.gz WOSIYLLFBIFGJC-LBPRGKRZSA-N 0 0 422.438 2.203 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2[N+](=O)[O-])CC1 ZINC000770139537 1078744462 /nfs/dbraw/zinc/74/44/62/1078744462.db2.gz BUNNVYIRZVJGDT-KFKAGJAMSA-N 0 0 417.462 2.234 20 5 HEBDRN COc1ccc2c(c1)nc(CNC(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)n2C ZINC000770147568 1078747490 /nfs/dbraw/zinc/74/74/90/1078747490.db2.gz SOZFYIQPIITZPR-SFHVURJKSA-N 0 0 409.402 2.300 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)Oc3ccc4c[nH]nc4c3)cc2[N+](=O)[O-])CC1 ZINC000770148244 1078747812 /nfs/dbraw/zinc/74/78/12/1078747812.db2.gz NPPGBZJLDYSAAO-UHFFFAOYSA-N 0 0 409.402 2.359 20 5 HEBDRN COC(=O)C[C@]1(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CCCOC1 ZINC000770181278 1078750393 /nfs/dbraw/zinc/75/03/93/1078750393.db2.gz YJBLJBBUDUZWFL-GOSISDBHSA-N 0 0 412.464 2.065 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000770156599 1078757190 /nfs/dbraw/zinc/75/71/90/1078757190.db2.gz KHDSGIMMUHDAIQ-FZKQIMNGSA-N 0 0 401.419 2.340 20 5 HEBDRN COC[C@@H](Cn1cncn1)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770159940 1078758663 /nfs/dbraw/zinc/75/86/63/1078758663.db2.gz QVCACCUBFLCOMZ-GOEBONIOSA-N 0 0 403.439 2.295 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000770160909 1078759144 /nfs/dbraw/zinc/75/91/44/1078759144.db2.gz KHDSGIMMUHDAIQ-UGSOOPFHSA-N 0 0 401.419 2.340 20 5 HEBDRN COC(=O)C[C@@]1(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCOC1 ZINC000770161058 1078760646 /nfs/dbraw/zinc/76/06/46/1078760646.db2.gz NNZGKNCGXCBJFH-INIZCTEOSA-N 0 0 420.340 2.378 20 5 HEBDRN COC(=O)C[C@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000770170450 1078766174 /nfs/dbraw/zinc/76/61/74/1078766174.db2.gz UVPOSZQNLZOTGT-QGZVFWFLSA-N 0 0 400.815 2.246 20 5 HEBDRN CCN1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134440 1078802100 /nfs/dbraw/zinc/80/21/00/1078802100.db2.gz OOOACOXNCCUXPW-IEBWSBKVSA-N 0 0 419.478 2.244 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000746177352 1078811298 /nfs/dbraw/zinc/81/12/98/1078811298.db2.gz LBEABUJFEANSMS-UHFFFAOYSA-N 0 0 400.296 2.196 20 5 HEBDRN C[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000770249224 1078811456 /nfs/dbraw/zinc/81/14/56/1078811456.db2.gz SGWUCTTVVQSGJY-GFCCVEGCSA-N 0 0 422.429 2.465 20 5 HEBDRN CC(C)OC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000770296587 1078820891 /nfs/dbraw/zinc/82/08/91/1078820891.db2.gz NEMVRQGPOPHQQY-LBPRGKRZSA-N 0 0 423.285 2.172 20 5 HEBDRN CC(C)OC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000770299345 1078822511 /nfs/dbraw/zinc/82/25/11/1078822511.db2.gz ZIJAJCBOQGSQRS-LBPRGKRZSA-N 0 0 423.285 2.172 20 5 HEBDRN CC(C)[C@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCS1(=O)=O ZINC000770327505 1078829460 /nfs/dbraw/zinc/82/94/60/1078829460.db2.gz RMECHWXWRNPXBT-CYBMUJFWSA-N 0 0 420.285 2.356 20 5 HEBDRN CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000770327218 1078829781 /nfs/dbraw/zinc/82/97/81/1078829781.db2.gz WUWUAGFMQWGYAI-UHFFFAOYSA-N 0 0 406.302 2.213 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1nc(Cc2ccccc2)no1 ZINC000770362045 1078830480 /nfs/dbraw/zinc/83/04/80/1078830480.db2.gz UBMMFSMDQBWRGQ-UHFFFAOYSA-N 0 0 407.390 2.444 20 5 HEBDRN COc1cc2c(cc1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000746291682 1078851717 /nfs/dbraw/zinc/85/17/17/1078851717.db2.gz KRDVTLZADRXKGI-GFCCVEGCSA-N 0 0 400.387 2.435 20 5 HEBDRN CN(CC(F)F)C1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000746320436 1078857732 /nfs/dbraw/zinc/85/77/32/1078857732.db2.gz PLHWNAYHAQDQIR-UHFFFAOYSA-N 0 0 418.828 2.166 20 5 HEBDRN Cc1nc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1[C@@H](C)O ZINC000770449700 1078858310 /nfs/dbraw/zinc/85/83/10/1078858310.db2.gz KXJNPSDLOXCPHC-CYBMUJFWSA-N 0 0 414.418 2.356 20 5 HEBDRN CCCCn1cc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1 ZINC000770496380 1078867992 /nfs/dbraw/zinc/86/79/92/1078867992.db2.gz UEGAFDMRGXBVIV-UHFFFAOYSA-N 0 0 404.379 2.424 20 5 HEBDRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770504702 1078869855 /nfs/dbraw/zinc/86/98/55/1078869855.db2.gz RPQCCXGCWVHMJC-GXFFZTMASA-N 0 0 410.427 2.186 20 5 HEBDRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770504708 1078870184 /nfs/dbraw/zinc/87/01/84/1078870184.db2.gz RPQCCXGCWVHMJC-ZWNOBZJWSA-N 0 0 410.427 2.186 20 5 HEBDRN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746363368 1078876199 /nfs/dbraw/zinc/87/61/99/1078876199.db2.gz WBRHOUSQJPLFBN-UHFFFAOYSA-N 0 0 414.466 2.125 20 5 HEBDRN COc1cc(C(=O)OCc2nnc(C)[nH]2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000770639787 1078908932 /nfs/dbraw/zinc/90/89/32/1078908932.db2.gz JYZPGHTWFQWUCM-UHFFFAOYSA-N 0 0 405.392 2.422 20 5 HEBDRN Cc1onc(-c2ccccn2)c1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000766365995 1078920703 /nfs/dbraw/zinc/92/07/03/1078920703.db2.gz KBFZZSNVUAKPNI-UHFFFAOYSA-N 0 0 411.374 2.321 20 5 HEBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000766373795 1078940491 /nfs/dbraw/zinc/94/04/91/1078940491.db2.gz JRRMJJSNRWNDAX-UHFFFAOYSA-N 0 0 410.342 2.359 20 5 HEBDRN O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766376020 1078943349 /nfs/dbraw/zinc/94/33/49/1078943349.db2.gz ZFTAOHSNZBMNKA-CYBMUJFWSA-N 0 0 409.398 2.229 20 5 HEBDRN CCc1sc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(C(N)=O)c1C ZINC000770716520 1078944531 /nfs/dbraw/zinc/94/45/31/1078944531.db2.gz NCWATZMEEXJGTR-UHFFFAOYSA-N 0 0 411.461 2.282 20 5 HEBDRN Cc1ccc(N2CC[C@H](NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2=O)cc1 ZINC000770695093 1078963420 /nfs/dbraw/zinc/96/34/20/1078963420.db2.gz ORXMPVYDHRHFAA-INIZCTEOSA-N 0 0 408.418 2.384 20 5 HEBDRN COc1cc(CN(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1O ZINC000746452359 1078981695 /nfs/dbraw/zinc/98/16/95/1078981695.db2.gz SWIZSPKRWPQDEE-UHFFFAOYSA-N 0 0 414.462 2.090 20 5 HEBDRN CC(C)NC(=O)c1ccc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 ZINC000746460785 1079012932 /nfs/dbraw/zinc/01/29/32/1079012932.db2.gz JHBMTGUPEUABIC-CYBMUJFWSA-N 0 0 402.373 2.332 20 5 HEBDRN CC(C)(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1OCC(C)(C)CO1 ZINC000770788862 1079017093 /nfs/dbraw/zinc/01/70/93/1079017093.db2.gz HKHVSEBBDYMMGF-UHFFFAOYSA-N 0 0 422.434 2.289 20 5 HEBDRN CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000766466547 1079017382 /nfs/dbraw/zinc/01/73/82/1079017382.db2.gz IAHHXILTDQUAMH-UHFFFAOYSA-N 0 0 420.491 2.316 20 5 HEBDRN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746469251 1079017637 /nfs/dbraw/zinc/01/76/37/1079017637.db2.gz AEFITAWOUUNUIK-ZFWWWQNUSA-N 0 0 403.888 2.474 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000746466453 1079026191 /nfs/dbraw/zinc/02/61/91/1079026191.db2.gz QZXNWZWMWSGMHC-SSDOTTSWSA-N 0 0 424.229 2.263 20 5 HEBDRN COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000766486046 1079035841 /nfs/dbraw/zinc/03/58/41/1079035841.db2.gz XRDOQZWRPLSTKU-UHFFFAOYSA-N 0 0 419.459 2.189 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OC[C@H]3CCCO3)CC2)c2ncccc12 ZINC000766513346 1079054845 /nfs/dbraw/zinc/05/48/45/1079054845.db2.gz LZMHKGSRWNUGKZ-OAHLLOKOSA-N 0 0 421.475 2.492 20 5 HEBDRN CCCn1cnnc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000770901807 1079071519 /nfs/dbraw/zinc/07/15/19/1079071519.db2.gz PSRZTPWYGFQMOF-MRXNPFEDSA-N 0 0 401.423 2.253 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cc(-c2ccccc2)n[nH]1 ZINC000770905473 1079072178 /nfs/dbraw/zinc/07/21/78/1079072178.db2.gz VGPGSEMRIGUXJC-UHFFFAOYSA-N 0 0 406.354 2.324 20 5 HEBDRN COCCOc1cnc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cn1 ZINC000770919282 1079080813 /nfs/dbraw/zinc/08/08/13/1079080813.db2.gz PWYIRSQJMSAHNR-UHFFFAOYSA-N 0 0 409.362 2.313 20 5 HEBDRN Cc1cnc([C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000770930645 1079084463 /nfs/dbraw/zinc/08/44/63/1079084463.db2.gz MOQXQLMEFMATOW-SECBINFHSA-N 0 0 403.800 2.127 20 5 HEBDRN CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)c2ncc(C)o2)cc1[N+](=O)[O-] ZINC000770935378 1079085610 /nfs/dbraw/zinc/08/56/10/1079085610.db2.gz FXXAPFBLLOWTJS-SNVBAGLBSA-N 0 0 415.449 2.196 20 5 HEBDRN C[C@H](c1nccs1)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000766555447 1079089834 /nfs/dbraw/zinc/08/98/34/1079089834.db2.gz GOQMZYWVNBQZPD-LLVKDONJSA-N 0 0 400.457 2.258 20 5 HEBDRN 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CCOCCCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000744206023 1077339481 /nfs/dbraw/zinc/33/94/81/1077339481.db2.gz CIBYMAOMWPZDSD-OAHLLOKOSA-N 0 0 414.480 2.355 20 5 HEBDRN Cc1nn(CCC(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000744228986 1077345187 /nfs/dbraw/zinc/34/51/87/1077345187.db2.gz QPGJSBGWQSKZAV-KRWDZBQOSA-N 0 0 400.435 2.390 20 5 HEBDRN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000744230508 1077345660 /nfs/dbraw/zinc/34/56/60/1077345660.db2.gz OEVGYNJFUGWDRI-INIZCTEOSA-N 0 0 421.413 2.381 20 5 HEBDRN COC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000744379709 1077375983 /nfs/dbraw/zinc/37/59/83/1077375983.db2.gz VUUIHAZKUAFBMG-VFZGTOFNSA-N 0 0 407.320 2.170 20 5 HEBDRN COC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000744379708 1077376058 /nfs/dbraw/zinc/37/60/58/1077376058.db2.gz VUUIHAZKUAFBMG-RFAUZJTJSA-N 0 0 407.320 2.170 20 5 HEBDRN Cc1c(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000744380589 1077376237 /nfs/dbraw/zinc/37/62/37/1077376237.db2.gz ZCKMDEJXDBVVSF-HNNXBMFYSA-N 0 0 420.422 2.055 20 5 HEBDRN CC(C)c1nccn1CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000744407098 1077382270 /nfs/dbraw/zinc/38/22/70/1077382270.db2.gz BWSJEXNLVCMCNO-UHFFFAOYSA-N 0 0 401.423 2.419 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)COc2ccc([N+](=O)[O-])cc2)C1=O ZINC000744457307 1077400088 /nfs/dbraw/zinc/40/00/88/1077400088.db2.gz NZASTOJUANTJKG-CQSZACIVSA-N 0 0 420.399 2.170 20 5 HEBDRN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)nn2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000744491365 1077402461 /nfs/dbraw/zinc/40/24/61/1077402461.db2.gz ZGCNUZKHBPRWGL-UHFFFAOYSA-N 0 0 418.406 2.437 20 5 HEBDRN COC(=O)[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000744471770 1077407319 /nfs/dbraw/zinc/40/73/19/1077407319.db2.gz GHGUWWYQSHKLJR-KRWDZBQOSA-N 0 0 404.350 2.311 20 5 HEBDRN CCOc1cc(C(=O)O[C@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])cc1OC ZINC000744517832 1077435148 /nfs/dbraw/zinc/43/51/48/1077435148.db2.gz DXJYGPGFIZIWJE-AWEZNQCLSA-N 0 0 418.406 2.006 20 5 HEBDRN CCOc1cc(C(=O)O[C@@H]2CCCN(c3cnn(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000744517638 1077435712 /nfs/dbraw/zinc/43/57/12/1077435712.db2.gz CJFVXPNBKUSZPI-OAHLLOKOSA-N 0 0 418.406 2.088 20 5 HEBDRN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766320385 1077450110 /nfs/dbraw/zinc/45/01/10/1077450110.db2.gz RUPOYGAGAKAWOC-CJNGLKHVSA-N 0 0 403.460 2.335 20 5 HEBDRN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000744554254 1077465660 /nfs/dbraw/zinc/46/56/60/1077465660.db2.gz NWPXGDZCMJCXGX-CYBMUJFWSA-N 0 0 406.439 2.365 20 5 HEBDRN COc1ccc(OCCOC(=O)C[C@H]2Oc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000744581007 1077493820 /nfs/dbraw/zinc/49/38/20/1077493820.db2.gz NYWSAULPTZYCSL-QGZVFWFLSA-N 0 0 402.359 2.315 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)S1 ZINC000744610633 1077502386 /nfs/dbraw/zinc/50/23/86/1077502386.db2.gz UINRJTYKPCONLO-LLVKDONJSA-N 0 0 401.448 2.098 20 5 HEBDRN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744615624 1077504631 /nfs/dbraw/zinc/50/46/31/1077504631.db2.gz VZULBGUKIYMBLP-IBGZPJMESA-N 0 0 423.425 2.409 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000744660520 1077529590 /nfs/dbraw/zinc/52/95/90/1077529590.db2.gz BURPVYVUVUJGMJ-UHFFFAOYSA-N 0 0 415.468 2.031 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000744664446 1077531040 /nfs/dbraw/zinc/53/10/40/1077531040.db2.gz ANBPMAGWIORVAE-SECBINFHSA-N 0 0 411.212 2.433 20 5 HEBDRN CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744668473 1077533510 /nfs/dbraw/zinc/53/35/10/1077533510.db2.gz LJBYTYMYFKEHEQ-AWEZNQCLSA-N 0 0 416.438 2.257 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000744652611 1077539347 /nfs/dbraw/zinc/53/93/47/1077539347.db2.gz INHKWFGSFZZAGG-UHFFFAOYSA-N 0 0 414.340 2.234 20 5 HEBDRN C[C@@H](OC(=O)c1sccc1-n1cnnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744716280 1077565475 /nfs/dbraw/zinc/56/54/75/1077565475.db2.gz MDYZDPVDPUBCPP-MRVPVSSYSA-N 0 0 422.810 2.469 20 5 HEBDRN CS(=O)(=O)Cc1nc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000744742545 1077575423 /nfs/dbraw/zinc/57/54/23/1077575423.db2.gz OFWUKTMKLQCRFB-UHFFFAOYSA-N 0 0 422.444 2.139 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744773698 1077578334 /nfs/dbraw/zinc/57/83/34/1077578334.db2.gz KKMSVEUCWLJVJX-FZMZJTMJSA-N 0 0 424.435 2.063 20 5 HEBDRN CCC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744817753 1077589407 /nfs/dbraw/zinc/58/94/07/1077589407.db2.gz LFNZAJVCNYPFEU-DOMZBBRYSA-N 0 0 407.423 2.265 20 5 HEBDRN COC(=O)c1cccc(-c2nc(COC(=O)Cn3ccc([N+](=O)[O-])n3)cs2)c1 ZINC000744800798 1077598133 /nfs/dbraw/zinc/59/81/33/1077598133.db2.gz YLHLHOACGHIZRN-UHFFFAOYSA-N 0 0 402.388 2.445 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cc(S(C)(=O)=O)ccc2F)c([N+](=O)[O-])c1 ZINC000744835707 1077616846 /nfs/dbraw/zinc/61/68/46/1077616846.db2.gz KDOKOJRKDHXLJU-UHFFFAOYSA-N 0 0 413.379 2.382 20 5 HEBDRN Cc1cnc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000744853961 1077622693 /nfs/dbraw/zinc/62/26/93/1077622693.db2.gz KTYDUTQHNIMMQL-ZDUSSCGKSA-N 0 0 409.420 2.035 20 5 HEBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000744870611 1077629228 /nfs/dbraw/zinc/62/92/28/1077629228.db2.gz YDGBZBZEEPKITI-ABAIWWIYSA-N 0 0 422.825 2.488 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000744896733 1077637697 /nfs/dbraw/zinc/63/76/97/1077637697.db2.gz AGKSSXAQTBHZAU-IUODEOHRSA-N 0 0 407.423 2.121 20 5 HEBDRN 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C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000744926052 1077655027 /nfs/dbraw/zinc/65/50/27/1077655027.db2.gz ZDOBTFHXKYKKAQ-ZDUSSCGKSA-N 0 0 413.434 2.298 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000744928099 1077655913 /nfs/dbraw/zinc/65/59/13/1077655913.db2.gz RTWZSBXLSMEEHN-YOEHRIQHSA-N 0 0 405.451 2.212 20 5 HEBDRN COc1ccc(CC(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1[N+](=O)[O-] ZINC000744943924 1077671274 /nfs/dbraw/zinc/67/12/74/1077671274.db2.gz KTYICORWGDKVEY-INIZCTEOSA-N 0 0 408.407 2.268 20 5 HEBDRN COc1ncnc(OC)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744969094 1077684056 /nfs/dbraw/zinc/68/40/56/1077684056.db2.gz OQHKHEZOFYEPDB-SECBINFHSA-N 0 0 401.335 2.370 20 5 HEBDRN O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000745014861 1077706045 /nfs/dbraw/zinc/70/60/45/1077706045.db2.gz XGXHFGWGCGEFST-MRXNPFEDSA-N 0 0 410.448 2.050 20 5 HEBDRN 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O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1Cn1cccn1 ZINC000745332364 1077805001 /nfs/dbraw/zinc/80/50/01/1077805001.db2.gz HHGRLULPODPHCV-UHFFFAOYSA-N 0 0 408.414 2.242 20 5 HEBDRN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000745332372 1077805043 /nfs/dbraw/zinc/80/50/43/1077805043.db2.gz HKTRKPAEWZKTFN-XJKSGUPXSA-N 0 0 400.387 2.025 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000737570839 1077814143 /nfs/dbraw/zinc/81/41/43/1077814143.db2.gz SSOWSXJTAQRXRC-UHFFFAOYSA-N 0 0 418.793 2.030 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952061 1079517859 /nfs/dbraw/zinc/51/78/59/1079517859.db2.gz SISYTIVOITUBHO-OHNRDTAOSA-N 0 0 417.466 2.252 20 5 HEBDRN CCOC(=O)c1sc(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)nc1C ZINC000771768907 1079522810 /nfs/dbraw/zinc/52/28/10/1079522810.db2.gz JUWJGLTZHDEWPX-UHFFFAOYSA-N 0 0 417.440 2.462 20 5 HEBDRN CCOc1ccc(NC(=O)CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958933 1079523456 /nfs/dbraw/zinc/52/34/56/1079523456.db2.gz QZNDRIURCBWYPM-BEFAXECRSA-N 0 0 417.466 2.254 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc([N+](=O)[O-])c1F ZINC000771773415 1079525520 /nfs/dbraw/zinc/52/55/20/1079525520.db2.gz DLMQGHBNRBGGKC-WFASDCNBSA-N 0 0 414.411 2.149 20 5 HEBDRN C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000766967721 1079561832 /nfs/dbraw/zinc/56/18/32/1079561832.db2.gz MEARHZQYXVKZIT-BYPYZUCNSA-N 0 0 408.239 2.208 20 5 HEBDRN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000766975189 1079571619 /nfs/dbraw/zinc/57/16/19/1079571619.db2.gz MXEMOMVIILKBGN-NSHDSACASA-N 0 0 423.784 2.145 20 5 HEBDRN COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2c([N+](=O)[O-])cnn2C)C(C)C)cc1 ZINC000766974849 1079571702 /nfs/dbraw/zinc/57/17/02/1079571702.db2.gz QSBKLXJPGBGXGF-KRWDZBQOSA-N 0 0 404.423 2.177 20 5 HEBDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000771925244 1079575783 /nfs/dbraw/zinc/57/57/83/1079575783.db2.gz HTHYMYWVSKMXFJ-UHFFFAOYSA-N 0 0 413.862 2.159 20 5 HEBDRN Cn1ccnc1[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000771930246 1079578061 /nfs/dbraw/zinc/57/80/61/1079578061.db2.gz WXDYVDZGVMMYOP-KRWDZBQOSA-N 0 0 401.423 2.235 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)n1 ZINC000772060924 1079680832 /nfs/dbraw/zinc/68/08/32/1079680832.db2.gz VKKAOOCXKABQDB-GFCCVEGCSA-N 0 0 414.296 2.189 20 5 HEBDRN Cc1c(C(=O)OCc2cn(Cc3ccccc3)nn2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000772109565 1079712834 /nfs/dbraw/zinc/71/28/34/1079712834.db2.gz LCYRZUMDIZHSCQ-UHFFFAOYSA-N 0 0 419.401 2.481 20 5 HEBDRN COc1ccc(/C=C\C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1O ZINC000772168864 1079737036 /nfs/dbraw/zinc/73/70/36/1079737036.db2.gz DWDMLTBRFIVKMH-UTCJRWHESA-N 0 0 417.443 2.368 20 5 HEBDRN 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COC(=O)c1oc([C@H](C)OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1C ZINC000767265200 1079786581 /nfs/dbraw/zinc/78/65/81/1079786581.db2.gz PTXJWHHDNLQHTC-NSHDSACASA-N 0 0 418.358 2.313 20 5 HEBDRN COC(=O)c1oc([C@@H](C)OC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C ZINC000767268110 1079788523 /nfs/dbraw/zinc/78/85/23/1079788523.db2.gz CKBZWQDUZFUFNJ-SNVBAGLBSA-N 0 0 416.342 2.183 20 5 HEBDRN O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CN1C(=O)c2ccccc2C1=O ZINC000767288655 1079791411 /nfs/dbraw/zinc/79/14/11/1079791411.db2.gz RVAWEYQYEMZCOG-UHFFFAOYSA-N 0 0 407.338 2.098 20 5 HEBDRN COC(=O)[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cc(OC)cc(OC)c1 ZINC000767288940 1079791450 /nfs/dbraw/zinc/79/14/50/1079791450.db2.gz TXOIITNDDCPSEV-INIZCTEOSA-N 0 0 408.338 2.404 20 5 HEBDRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000772285625 1079792990 /nfs/dbraw/zinc/79/29/90/1079792990.db2.gz FNNJDNHBZUUFCZ-GFCCVEGCSA-N 0 0 400.457 2.077 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccnc(-c2ccccc2)n1 ZINC000772282724 1079810464 /nfs/dbraw/zinc/81/04/64/1079810464.db2.gz BBMAJKLSGPBCEM-UHFFFAOYSA-N 0 0 403.354 2.287 20 5 HEBDRN CCS(=O)(=O)c1ccc2oc(COC(=O)c3cccc([N+](=O)[O-])c3N)nc2c1 ZINC000767374407 1079833475 /nfs/dbraw/zinc/83/34/75/1079833475.db2.gz NKDQASWPDQCIMN-UHFFFAOYSA-N 0 0 405.388 2.469 20 5 HEBDRN CCCn1ncc(C(=O)OCC)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000772368097 1079849278 /nfs/dbraw/zinc/84/92/78/1079849278.db2.gz LLRASPYMJIFVTP-UHFFFAOYSA-N 0 0 400.395 2.366 20 5 HEBDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000772371568 1079851265 /nfs/dbraw/zinc/85/12/65/1079851265.db2.gz LMRDVHOWIDRQNE-TVSHIAKJSA-N 0 0 421.425 2.325 20 5 HEBDRN C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000772384376 1079856754 /nfs/dbraw/zinc/85/67/54/1079856754.db2.gz ZHSHVEVGOYCJNP-ZYHUDNBSSA-N 0 0 419.356 2.252 20 5 HEBDRN 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ZINC000772640868 1080000277 /nfs/dbraw/zinc/00/02/77/1080000277.db2.gz YSBVMMBCTMNLAV-UHFFFAOYSA-N 0 0 423.188 2.184 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000767622715 1080014316 /nfs/dbraw/zinc/01/43/16/1080014316.db2.gz IOOOJCBOCZGWES-UHFFFAOYSA-N 0 0 405.392 2.475 20 5 HEBDRN COC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nccs1 ZINC000785546934 1080052438 /nfs/dbraw/zinc/05/24/38/1080052438.db2.gz UJLVOWJKHNNRSG-QMTHXVAHSA-N 0 0 409.395 2.474 20 5 HEBDRN COC(=O)COc1ccc(CNc2ccc(OC)c(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000785560124 1080058159 /nfs/dbraw/zinc/05/81/59/1080058159.db2.gz LJNUNKPZYALUKG-UHFFFAOYSA-N 0 0 404.379 2.258 20 5 HEBDRN Cc1c(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785592955 1080066403 /nfs/dbraw/zinc/06/64/03/1080066403.db2.gz NLOFRJCMGREJOX-CQSZACIVSA-N 0 0 419.438 2.338 20 5 HEBDRN Cc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 ZINC000767817856 1080127033 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COC(=O)c1cccc(NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000785935633 1080335414 /nfs/dbraw/zinc/33/54/14/1080335414.db2.gz JMAYUVIMDQVWCV-UHFFFAOYSA-N 0 0 407.766 2.154 20 5 HEBDRN Nc1nc(C2CCCC2)ncc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000772677181 1080351150 /nfs/dbraw/zinc/35/11/50/1080351150.db2.gz YBFGRBTXMULETR-UHFFFAOYSA-N 0 0 411.418 2.371 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000768154753 1080373629 /nfs/dbraw/zinc/37/36/29/1080373629.db2.gz BLBZYLYPBILHSX-UHFFFAOYSA-N 0 0 406.464 2.275 20 5 HEBDRN COc1cc(CCNC(=O)N[C@@H]2CCCC3(C2)OCCO3)c([N+](=O)[O-])cc1OC ZINC000768180086 1080400291 /nfs/dbraw/zinc/40/02/91/1080400291.db2.gz JSYAYYHNCVZRNI-CQSZACIVSA-N 0 0 409.439 2.139 20 5 HEBDRN O=C([C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000768235025 1080435457 /nfs/dbraw/zinc/43/54/57/1080435457.db2.gz VUBPXNCBJOJBEB-CQSZACIVSA-N 0 0 412.284 2.428 20 5 HEBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CCOc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] 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CCOC(=O)C1C(c2cccnc2)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000770628207 1078921719 /nfs/dbraw/zinc/92/17/19/1078921719.db2.gz RZHKUOQZACBWFM-INIZCTEOSA-N 0 0 414.443 2.492 20 5 HEBDRN O=C(NC[C@H]1COc2ccccc2C1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766376023 1078943394 /nfs/dbraw/zinc/94/33/94/1078943394.db2.gz ZFTAOHSNZBMNKA-ZDUSSCGKSA-N 0 0 409.398 2.229 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(C)c2)CC1 ZINC000746429939 1078944059 /nfs/dbraw/zinc/94/40/59/1078944059.db2.gz PMJCTDAOCXZNIY-UHFFFAOYSA-N 0 0 420.491 2.412 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc2c(c1)OCO2 ZINC000746429575 1078945501 /nfs/dbraw/zinc/94/55/01/1078945501.db2.gz GQTNDPHRGGPAHG-UHFFFAOYSA-N 0 0 409.420 2.142 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@H]21 ZINC000770721420 1078947999 /nfs/dbraw/zinc/94/79/99/1078947999.db2.gz NZIQHXUZMNVPHB-IACUBPJLSA-N 0 0 406.439 2.461 20 5 HEBDRN COCCCOCCOC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000789459129 1078959548 /nfs/dbraw/zinc/95/95/48/1078959548.db2.gz QIFFVQZHMTVFIU-UHFFFAOYSA-N 0 0 409.176 2.409 20 5 HEBDRN O=C(COC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000770724459 1078950122 /nfs/dbraw/zinc/95/01/22/1078950122.db2.gz LOQDQRUTHPEPIC-NSHDSACASA-N 0 0 419.340 2.408 20 5 HEBDRN COc1cccc(OCCN2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000766421582 1078972343 /nfs/dbraw/zinc/97/23/43/1078972343.db2.gz ODOWZZJUQXYKKJ-UHFFFAOYSA-N 0 0 414.462 2.331 20 5 HEBDRN COC(=O)Cn1cc([C@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000770709287 1078976742 /nfs/dbraw/zinc/97/67/42/1078976742.db2.gz WUTUUIXUDAGSRG-QMMMGPOBSA-N 0 0 413.184 2.040 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000770709284 1078976776 /nfs/dbraw/zinc/97/67/76/1078976776.db2.gz WUTUUIXUDAGSRG-MRVPVSSYSA-N 0 0 413.184 2.040 20 5 HEBDRN Cc1ccc(NCCCNC(=O)C(=O)Nc2cnn(C)c2C2CC2)c([N+](=O)[O-])c1 ZINC000770746103 1079002566 /nfs/dbraw/zinc/00/25/66/1079002566.db2.gz ICZLKMUKZLUOID-UHFFFAOYSA-N 0 0 400.439 2.071 20 5 HEBDRN CC(=O)N1CCC[C@H](COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000766463050 1079013316 /nfs/dbraw/zinc/01/33/16/1079013316.db2.gz OWFAJOKQQVIOSW-KBPBESRZSA-N 0 0 409.464 2.063 20 5 HEBDRN CC(=O)N1CCC[C@@H](COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 ZINC000766471245 1079022050 /nfs/dbraw/zinc/02/20/50/1079022050.db2.gz PXWNNPLFWISQST-CYBMUJFWSA-N 0 0 419.463 2.290 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000766491426 1079030780 /nfs/dbraw/zinc/03/07/80/1079030780.db2.gz FVFUGNJHKLCTON-LBPRGKRZSA-N 0 0 422.463 2.431 20 5 HEBDRN Cc1c(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000770862268 1079043596 /nfs/dbraw/zinc/04/35/96/1079043596.db2.gz YBIAWOBYAVCMHE-PBHICJAKSA-N 0 0 403.391 2.334 20 5 HEBDRN Cc1c(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000770862274 1079043639 /nfs/dbraw/zinc/04/36/39/1079043639.db2.gz YBIAWOBYAVCMHE-RHSMWYFYSA-N 0 0 403.391 2.334 20 5 HEBDRN COc1ccc([C@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000766504048 1079045301 /nfs/dbraw/zinc/04/53/01/1079045301.db2.gz WOZSSEWMRORFTG-MRXNPFEDSA-N 0 0 403.416 2.164 20 5 HEBDRN C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1ccc(F)cc1 ZINC000766518539 1079066196 /nfs/dbraw/zinc/06/61/96/1079066196.db2.gz FAYMVULJPSKKTP-GOSISDBHSA-N 0 0 405.407 2.468 20 5 HEBDRN C[C@@H](c1nccs1)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000766555449 1079089899 /nfs/dbraw/zinc/08/98/99/1079089899.db2.gz GOQMZYWVNBQZPD-NSHDSACASA-N 0 0 400.457 2.258 20 5 HEBDRN CCO[C@H]1C[C@@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C12CCOCC2 ZINC000770981085 1079094263 /nfs/dbraw/zinc/09/42/63/1079094263.db2.gz XEJYAXROGCKMDP-DLBZAZTESA-N 0 0 402.407 2.307 20 5 HEBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CO)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000771002381 1079100324 /nfs/dbraw/zinc/10/03/24/1079100324.db2.gz KNMCHUVZCDAHPO-KRWDZBQOSA-N 0 0 419.459 2.205 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2CCO[C@@H]2C)CC1 ZINC000771033332 1079110867 /nfs/dbraw/zinc/11/08/67/1079110867.db2.gz DHVCVCYYUGKUBM-CZUORRHYSA-N 0 0 412.464 2.025 20 5 HEBDRN CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1CCOC ZINC000766590215 1079127082 /nfs/dbraw/zinc/12/70/82/1079127082.db2.gz ITVGFJLNELHULQ-CQSZACIVSA-N 0 0 412.874 2.146 20 5 HEBDRN Cc1ccc(Cc2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)o1 ZINC000771087056 1079137759 /nfs/dbraw/zinc/13/77/59/1079137759.db2.gz WLPPIGFQNXXJPC-UHFFFAOYSA-N 0 0 411.418 2.361 20 5 HEBDRN Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC000766585526 1079136145 /nfs/dbraw/zinc/13/61/45/1079136145.db2.gz PTXXDBIVJZSSOP-UHFFFAOYSA-N 0 0 411.370 2.352 20 5 HEBDRN O=C(Cc1noc(CCc2cccnc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085183 1079136146 /nfs/dbraw/zinc/13/61/46/1079136146.db2.gz JIFXFDRXLNTLFL-UHFFFAOYSA-N 0 0 422.445 2.049 20 5 HEBDRN C[C@H]1C[C@@H](c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)CCO1 ZINC000771086581 1079136770 /nfs/dbraw/zinc/13/67/70/1079136770.db2.gz GDSWKIFHMXNMQS-GJZGRUSLSA-N 0 0 415.450 2.152 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000746323249 1079147754 /nfs/dbraw/zinc/14/77/54/1079147754.db2.gz HXNABDAOHBXDBX-ZDUSSCGKSA-N 0 0 402.446 2.015 20 5 HEBDRN CCOC(=O)c1cnc(N[C@@H](CO)[C@@H](O)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC001169088595 1079138272 /nfs/dbraw/zinc/13/82/72/1079138272.db2.gz YWGSFQZMSHKYAV-HOCLYGCPSA-N 0 0 407.448 2.395 20 5 HEBDRN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000771164143 1079180520 /nfs/dbraw/zinc/18/05/20/1079180520.db2.gz PKBBSGAGNPUYSL-UHFFFAOYSA-N 0 0 408.360 2.012 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000771202353 1079202710 /nfs/dbraw/zinc/20/27/10/1079202710.db2.gz IMIHNMZKZNIFJP-AWEZNQCLSA-N 0 0 423.219 2.398 20 5 HEBDRN O=C(N[C@H](CO)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1I ZINC000771204001 1079203044 /nfs/dbraw/zinc/20/30/44/1079203044.db2.gz TTXVYEBGOOJJKH-LURJTMIESA-N 0 0 418.109 2.243 20 5 HEBDRN O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766663380 1079226862 /nfs/dbraw/zinc/22/68/62/1079226862.db2.gz PFKATMBRGHDXAI-USXIJHARSA-N 0 0 413.434 2.262 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000766655815 1079228890 /nfs/dbraw/zinc/22/88/90/1079228890.db2.gz QBLRRNUCOKOJKO-LBPRGKRZSA-N 0 0 409.416 2.456 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000766669127 1079241485 /nfs/dbraw/zinc/24/14/85/1079241485.db2.gz NBTIHWKVQNLYGG-INIZCTEOSA-N 0 0 405.794 2.492 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Oc2cccc([N+](=O)[O-])c2C)C1=O ZINC000771294389 1079268859 /nfs/dbraw/zinc/26/88/59/1079268859.db2.gz FKTBDIBCLPKWSN-HXUWFJFHSA-N 0 0 413.386 2.284 20 5 HEBDRN O=C(N[C@@H](CO)[C@H](O)C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001169415807 1079275983 /nfs/dbraw/zinc/27/59/83/1079275983.db2.gz QOZDSGCJJPPRDH-DZGCQCFKSA-N 0 0 401.257 2.389 20 5 HEBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)nc1 ZINC000766693787 1079283579 /nfs/dbraw/zinc/28/35/79/1079283579.db2.gz MIUCJDCSNFEKPU-UHFFFAOYSA-N 0 0 408.212 2.190 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2nsc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000771348396 1079300625 /nfs/dbraw/zinc/30/06/25/1079300625.db2.gz APUDPMZWJZMJPI-CQSZACIVSA-N 0 0 419.463 2.169 20 5 HEBDRN O=C(Cc1ccccc1I)OCCn1ccc([N+](=O)[O-])n1 ZINC000771389223 1079318315 /nfs/dbraw/zinc/31/83/15/1079318315.db2.gz QLISQUXDNNFSJC-UHFFFAOYSA-N 0 0 401.160 2.182 20 5 HEBDRN COc1ncc([N+](=O)[O-])c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)n1 ZINC001169512237 1079318389 /nfs/dbraw/zinc/31/83/89/1079318389.db2.gz LJEMVTVXFRYVDV-GDBMZVCRSA-N 0 0 401.423 2.265 20 5 HEBDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000766727854 1079320621 /nfs/dbraw/zinc/32/06/21/1079320621.db2.gz YIPBIJKJIWHOSR-SJCJKPOMSA-N 0 0 417.393 2.088 20 5 HEBDRN COc1cc(OC)c(OC)cc1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804330259 1079321538 /nfs/dbraw/zinc/32/15/38/1079321538.db2.gz QTHDYMYBEMOROE-UHFFFAOYSA-N 0 0 402.407 2.423 20 5 HEBDRN CN(CC(=O)N[C@@H]1CCc2cncn2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000804331472 1079343236 /nfs/dbraw/zinc/34/32/36/1079343236.db2.gz AMUWZACRSNWZFS-GFCCVEGCSA-N 0 0 408.256 2.121 20 5 HEBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ncon2)C1 ZINC000771471516 1079350427 /nfs/dbraw/zinc/35/04/27/1079350427.db2.gz BOJSICDXBZKTJJ-SNVBAGLBSA-N 0 0 401.148 2.093 20 5 HEBDRN NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000771486500 1079356456 /nfs/dbraw/zinc/35/64/56/1079356456.db2.gz XJHARQVFZILSSJ-UHFFFAOYSA-N 0 0 420.447 2.190 20 5 HEBDRN COc1cc(C(=O)N2CCN(CCc3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC001169666560 1079361637 /nfs/dbraw/zinc/36/16/37/1079361637.db2.gz OWQCVBBNPVNHRE-UHFFFAOYSA-N 0 0 400.435 2.008 20 5 HEBDRN CCOC(=O)C[C@@H](Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-])c1cccnc1 ZINC001169677168 1079364448 /nfs/dbraw/zinc/36/44/48/1079364448.db2.gz OBOHTHNFRXATOF-GFCCVEGCSA-N 0 0 411.212 2.492 20 5 HEBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC001169678669 1079365343 /nfs/dbraw/zinc/36/53/43/1079365343.db2.gz KJPZBVQTMUJARJ-UHFFFAOYSA-N 0 0 413.434 2.218 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771514383 1079368675 /nfs/dbraw/zinc/36/86/75/1079368675.db2.gz SFDPJGAJPGLBGS-NGEICVOHSA-N 0 0 416.482 2.169 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1[N+](=O)[O-] ZINC000771527374 1079371605 /nfs/dbraw/zinc/37/16/05/1079371605.db2.gz YRKOXMVSJNMRAL-UHFFFAOYSA-N 0 0 409.450 2.474 20 5 HEBDRN COc1cccc(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000771581052 1079379957 /nfs/dbraw/zinc/37/99/57/1079379957.db2.gz CSXHAZGBLTXSFA-UHFFFAOYSA-N 0 0 424.431 2.024 20 5 HEBDRN Cc1nn(CCC(=O)Nc2cn3cc(Br)ncc3n2)c(C)c1[N+](=O)[O-] ZINC000771588260 1079382696 /nfs/dbraw/zinc/38/26/96/1079382696.db2.gz BPTXHJJUCUFDET-UHFFFAOYSA-N 0 0 408.216 2.242 20 5 HEBDRN CC(C)(C)OC(=O)N(CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000766800159 1079387063 /nfs/dbraw/zinc/38/70/63/1079387063.db2.gz SHSMSKXJLXZTRS-UHFFFAOYSA-N 0 0 413.496 2.456 20 5 HEBDRN CN(C)c1cccc(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000771613679 1079397942 /nfs/dbraw/zinc/39/79/42/1079397942.db2.gz FSFTYBFDCSUPCK-UHFFFAOYSA-N 0 0 407.448 2.073 20 5 HEBDRN O=C(Cc1noc(COc2ccccc2[N+](=O)[O-])n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771623804 1079408124 /nfs/dbraw/zinc/40/81/24/1079408124.db2.gz LWHUHACXTYTZBB-UHFFFAOYSA-N 0 0 413.346 2.324 20 5 HEBDRN O=C(Cc1noc(C[C@@H](O)c2cccc(F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771625032 1079408507 /nfs/dbraw/zinc/40/85/07/1079408507.db2.gz SVUHBTILLXUWBC-MRXNPFEDSA-N 0 0 400.366 2.252 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)c(Br)c1 ZINC000766841637 1079430790 /nfs/dbraw/zinc/43/07/90/1079430790.db2.gz VNSUBDVWSWCBPK-ZDUSSCGKSA-N 0 0 421.269 2.321 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccccc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000771631586 1079440806 /nfs/dbraw/zinc/44/08/06/1079440806.db2.gz QDRDARJTGRTXJP-HOTGVXAUSA-N 0 0 422.463 2.187 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccccc1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000771631588 1079440841 /nfs/dbraw/zinc/44/08/41/1079440841.db2.gz QDRDARJTGRTXJP-HZPDHXFCSA-N 0 0 422.463 2.187 20 5 HEBDRN C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000771684527 1079449528 /nfs/dbraw/zinc/44/95/28/1079449528.db2.gz GXGYJNAGIZCQAT-QGHHPUGFSA-N 0 0 409.801 2.355 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(NC[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001169903261 1079470987 /nfs/dbraw/zinc/47/09/87/1079470987.db2.gz QYBZKFPLWGXEIQ-OAHLLOKOSA-N 0 0 416.430 2.288 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc([N+](=O)[O-])c1F ZINC000771733229 1079469807 /nfs/dbraw/zinc/46/98/07/1079469807.db2.gz IZQSYVPVACCVFL-UHFFFAOYSA-N 0 0 423.466 2.353 20 5 HEBDRN O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766872921 1079469939 /nfs/dbraw/zinc/46/99/39/1079469939.db2.gz MPPUIVHDVFCHGB-AWEZNQCLSA-N 0 0 417.418 2.054 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCCc2nnc3n2CCCCC3)cc([N+](=O)[O-])c1F ZINC000771753522 1079482743 /nfs/dbraw/zinc/48/27/43/1079482743.db2.gz XYTKWUZQYQTUGY-UHFFFAOYSA-N 0 0 411.459 2.271 20 5 HEBDRN COc1cc(Cc2noc(CCn3cc([N+](=O)[O-])nc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000771748300 1079478344 /nfs/dbraw/zinc/47/83/44/1079478344.db2.gz PRTINBYZPLUAFE-UHFFFAOYSA-N 0 0 418.366 2.242 20 5 HEBDRN COc1cccc(N2C[C@@H](NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000771753099 1079483119 /nfs/dbraw/zinc/48/31/19/1079483119.db2.gz VNWIVUQGFIYSJM-LBPRGKRZSA-N 0 0 423.422 2.135 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000771753108 1079483138 /nfs/dbraw/zinc/48/31/38/1079483138.db2.gz 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HEBDRN CCOC(=O)c1ccc(N2CCCN(Cn3nc(C)c([N+](=O)[O-])c3C)CC2)nc1 ZINC000738109529 1075964758 /nfs/dbraw/zinc/96/47/58/1075964758.db2.gz CVFFKAYFAGBBSJ-UHFFFAOYSA-N 0 0 402.455 2.150 20 5 HEBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000766234560 1075971999 /nfs/dbraw/zinc/97/19/99/1075971999.db2.gz IECONMHSVADVEP-LLVKDONJSA-N 0 0 412.244 2.379 20 5 HEBDRN Cn1c(=O)cc(Nc2nccc(Br)c2[N+](=O)[O-])n(-c2ccccc2)c1=O ZINC001169962149 1079496537 /nfs/dbraw/zinc/49/65/37/1079496537.db2.gz YZWZEFIFQLLJML-UHFFFAOYSA-N 0 0 418.207 2.346 20 5 HEBDRN CN(CC(=O)OCCCOc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738674275 1076014941 /nfs/dbraw/zinc/01/49/41/1076014941.db2.gz QALBDDZNDNDTPG-UHFFFAOYSA-N 0 0 408.432 2.228 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1F ZINC000771779838 1079502385 /nfs/dbraw/zinc/50/23/85/1079502385.db2.gz HAEAXWFJAFQDIA-CQSZACIVSA-N 0 0 415.487 2.354 20 5 HEBDRN O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 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CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740805720 1076253973 /nfs/dbraw/zinc/25/39/73/1076253973.db2.gz HERLJXSQCXZMQA-HNNXBMFYSA-N 0 0 409.508 2.338 20 5 HEBDRN O=Cc1cccc(OCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740844527 1076265593 /nfs/dbraw/zinc/26/55/93/1076265593.db2.gz ZHXQWNYNSRSKBI-UHFFFAOYSA-N 0 0 411.414 2.161 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000740869932 1076275913 /nfs/dbraw/zinc/27/59/13/1076275913.db2.gz FCTZDAHOLLCDBT-ADLMAVQZSA-N 0 0 407.448 2.267 20 5 HEBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccnc1Cl ZINC000740886548 1076284937 /nfs/dbraw/zinc/28/49/37/1076284937.db2.gz UBFZCAZZKZOABK-UHFFFAOYSA-N 0 0 403.826 2.040 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC1)OCCO2 ZINC000737398720 1076297827 /nfs/dbraw/zinc/29/78/27/1076297827.db2.gz CPRQWGKYKFNKAY-UHFFFAOYSA-N 0 0 401.213 2.102 20 5 HEBDRN Cc1nc([N+](=O)[O-])c(Br)n1CCOc1cccc(S(C)(=O)=O)c1 ZINC000737398802 1076298100 /nfs/dbraw/zinc/29/81/00/1076298100.db2.gz YHLGCBLLCKTVGS-UHFFFAOYSA-N 0 0 404.242 2.345 20 5 HEBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740905492 1076298503 /nfs/dbraw/zinc/29/85/03/1076298503.db2.gz KUYYYTXMMFCXAQ-UHFFFAOYSA-N 0 0 413.390 2.171 20 5 HEBDRN O=C(NC[C@H]1COc2ccccc2C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740906672 1076299010 /nfs/dbraw/zinc/29/90/10/1076299010.db2.gz FOOIIUIFBAQANJ-INIZCTEOSA-N 0 0 424.457 2.314 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)N1CCc2ccccc2C1 ZINC000740984782 1076318348 /nfs/dbraw/zinc/31/83/48/1076318348.db2.gz HQNRIOLTEZDZGF-HNNXBMFYSA-N 0 0 409.442 2.474 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000737413786 1076353518 /nfs/dbraw/zinc/35/35/18/1076353518.db2.gz KTOYJQVAEDNRES-ZETCQYMHSA-N 0 0 403.189 2.307 20 5 HEBDRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC1(C)OCCO1 ZINC000741252131 1076421023 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WNQDVJWKMXQBNZ-TXEJJXNPSA-N 0 0 421.841 2.333 20 5 HEBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000741747667 1076607682 /nfs/dbraw/zinc/60/76/82/1076607682.db2.gz XEYXOOIEKSNJJW-UHFFFAOYSA-N 0 0 421.475 2.261 20 5 HEBDRN CCCNC(=O)CN1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000741750230 1076618578 /nfs/dbraw/zinc/61/85/78/1076618578.db2.gz HDSONVPBZWXPTC-UHFFFAOYSA-N 0 0 412.874 2.437 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000741751227 1076618666 /nfs/dbraw/zinc/61/86/66/1076618666.db2.gz FNHQIOWQLCSCEX-UHFFFAOYSA-N 0 0 402.426 2.181 20 5 HEBDRN CC[C@H](C)NC(=O)CN1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000741752021 1076619615 /nfs/dbraw/zinc/61/96/15/1076619615.db2.gz YRIRFXZMFWOORQ-LBPRGKRZSA-N 0 0 412.874 2.072 20 5 HEBDRN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741754300 1076619954 /nfs/dbraw/zinc/61/99/54/1076619954.db2.gz FZXXJSJKFFLFQP-LLVKDONJSA-N 0 0 407.242 2.074 20 5 HEBDRN Cn1cc(N2CCC[C@@H](OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cn1 ZINC000741819324 1076638803 /nfs/dbraw/zinc/63/88/03/1076638803.db2.gz FLYBXRNVQKQELL-CQSZACIVSA-N 0 0 423.223 2.443 20 5 HEBDRN O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)OCC1CCC1 ZINC000741832471 1076649565 /nfs/dbraw/zinc/64/95/65/1076649565.db2.gz WVXOOBGLVWSLDW-UHFFFAOYSA-N 0 0 423.447 2.422 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000742011703 1076706058 /nfs/dbraw/zinc/70/60/58/1076706058.db2.gz WSRNJRXTIYLPIN-QGZVFWFLSA-N 0 0 420.429 2.409 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000742007652 1076714538 /nfs/dbraw/zinc/71/45/38/1076714538.db2.gz PCNNSQUQFDXPCA-AWEZNQCLSA-N 0 0 402.363 2.060 20 5 HEBDRN C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C(=O)OC(C)(C)C ZINC000742087913 1076741562 /nfs/dbraw/zinc/74/15/62/1076741562.db2.gz GUDXBJIXAMJBOV-ZDUSSCGKSA-N 0 0 403.439 2.412 20 5 HEBDRN C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C(=O)OC(C)(C)C ZINC000742087157 1076741812 /nfs/dbraw/zinc/74/18/12/1076741812.db2.gz XSBIRWJMAIAZEO-CYBMUJFWSA-N 0 0 416.438 2.257 20 5 HEBDRN CCc1cnc(N2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)s1 ZINC000742128474 1076759558 /nfs/dbraw/zinc/75/95/58/1076759558.db2.gz GZVIAKTWCLHWON-UHFFFAOYSA-N 0 0 404.448 2.154 20 5 HEBDRN COC(=O)[C@H](C)CN(Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150233 1076766984 /nfs/dbraw/zinc/76/69/84/1076766984.db2.gz SBBHUVISIZNRSH-CQSZACIVSA-N 0 0 411.414 2.460 20 5 HEBDRN CN(C)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000742274693 1076807990 /nfs/dbraw/zinc/80/79/90/1076807990.db2.gz SNCMWFLSQXSIGY-UHFFFAOYSA-N 0 0 415.269 2.297 20 5 HEBDRN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000742257347 1076810543 /nfs/dbraw/zinc/81/05/43/1076810543.db2.gz XTMFTLKTGQMYNW-IBGZPJMESA-N 0 0 418.425 2.150 20 5 HEBDRN COc1cc(C=O)c(Br)cc1OS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742284429 1076815987 /nfs/dbraw/zinc/81/59/87/1076815987.db2.gz XLEROVANIHIIFP-UHFFFAOYSA-N 0 0 417.193 2.341 20 5 HEBDRN COCCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742287182 1076816721 /nfs/dbraw/zinc/81/67/21/1076816721.db2.gz CGLWYLZIQNNYAF-UHFFFAOYSA-N 0 0 403.201 2.260 20 5 HEBDRN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742291231 1076819128 /nfs/dbraw/zinc/81/91/28/1076819128.db2.gz LQYVRMSTQDIGAP-VIFPVBQESA-N 0 0 403.258 2.439 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000742334854 1076825609 /nfs/dbraw/zinc/82/56/09/1076825609.db2.gz WWOMDLNREMOQBR-UHFFFAOYSA-N 0 0 403.416 2.298 20 5 HEBDRN CN(C)c1ccc(N2CCC(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742317493 1076828804 /nfs/dbraw/zinc/82/88/04/1076828804.db2.gz JQPJPICCVPVATD-UHFFFAOYSA-N 0 0 405.480 2.003 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000742397911 1076834241 /nfs/dbraw/zinc/83/42/41/1076834241.db2.gz KEOIMWUSCZQJIP-CQSZACIVSA-N 0 0 422.482 2.461 20 5 HEBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000742414176 1076835943 /nfs/dbraw/zinc/83/59/43/1076835943.db2.gz VJSFJAKIBUNZJF-IBGZPJMESA-N 0 0 424.413 2.491 20 5 HEBDRN Cc1cccc(C2(O)CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)c1C ZINC000742416467 1076836439 /nfs/dbraw/zinc/83/64/39/1076836439.db2.gz YNDWRQAWRKDTPX-UHFFFAOYSA-N 0 0 405.476 2.347 20 5 HEBDRN CC(C)(CCS(C)(=O)=O)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000742424832 1076837188 /nfs/dbraw/zinc/83/71/88/1076837188.db2.gz VLBMOTCRFZJOCQ-UHFFFAOYSA-N 0 0 400.425 2.216 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCN(c2nc(C)ns2)CC1 ZINC000742424491 1076837358 /nfs/dbraw/zinc/83/73/58/1076837358.db2.gz GYQDZABBTQFYER-UHFFFAOYSA-N 0 0 422.423 2.166 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NCC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000742427791 1076837700 /nfs/dbraw/zinc/83/77/00/1076837700.db2.gz PKQRBCHGGTUFSZ-ACJLOTCBSA-N 0 0 401.419 2.422 20 5 HEBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2cnn(-c3ccccc3)c2)C1=O ZINC000742444251 1076838434 /nfs/dbraw/zinc/83/84/34/1076838434.db2.gz FCGCAUHUWQSWNZ-OAQYLSRUSA-N 0 0 419.397 2.430 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000742495017 1076844874 /nfs/dbraw/zinc/84/48/74/1076844874.db2.gz AKJIHFSGSPBMJU-HNNXBMFYSA-N 0 0 407.471 2.429 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000742564425 1076849637 /nfs/dbraw/zinc/84/96/37/1076849637.db2.gz KCRRHHLLVZSOLU-NSHDSACASA-N 0 0 402.363 2.406 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc2cc(F)ccc2n1C ZINC000742915566 1076896916 /nfs/dbraw/zinc/89/69/16/1076896916.db2.gz BREPJEIRXHUBPY-UHFFFAOYSA-N 0 0 402.338 2.459 20 5 HEBDRN C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000743122596 1076965622 /nfs/dbraw/zinc/96/56/22/1076965622.db2.gz RZNKYASJRWHYIA-GFCCVEGCSA-N 0 0 423.385 2.063 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)C)CC1 ZINC000743197022 1077003787 /nfs/dbraw/zinc/00/37/87/1077003787.db2.gz FVFYQVODTDXLCK-INIZCTEOSA-N 0 0 410.398 2.327 20 5 HEBDRN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCNC3=O)c2)cc1[N+](=O)[O-] ZINC000743264965 1077018075 /nfs/dbraw/zinc/01/80/75/1077018075.db2.gz XKFPYMXDYBUCIL-UHFFFAOYSA-N 0 0 406.420 2.324 20 5 HEBDRN CCOC(=O)CCN(CC1CC1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000743358420 1077031645 /nfs/dbraw/zinc/03/16/45/1077031645.db2.gz PBOUPVJPZFNDGQ-UHFFFAOYSA-N 0 0 402.451 2.478 20 5 HEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000743346446 1077035732 /nfs/dbraw/zinc/03/57/32/1077035732.db2.gz VYOXVFXKBPFFLG-UHFFFAOYSA-N 0 0 403.395 2.197 20 5 HEBDRN Cc1cn(CN2CCNC(=O)[C@H]2c2cccs2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743381835 1077036982 /nfs/dbraw/zinc/03/69/82/1077036982.db2.gz CJTIYZRKSDVEPI-QGZVFWFLSA-N 0 0 413.459 2.048 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 ZINC000743379251 1077045727 /nfs/dbraw/zinc/04/57/27/1077045727.db2.gz KTDXOKMSJYYQRD-UHFFFAOYSA-N 0 0 422.397 2.163 20 5 HEBDRN CCC(CC)(CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)SC ZINC000743697837 1077092334 /nfs/dbraw/zinc/09/23/34/1077092334.db2.gz PIUAFBMUAWBOTK-UHFFFAOYSA-N 0 0 418.541 2.094 20 5 HEBDRN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000743837410 1077138711 /nfs/dbraw/zinc/13/87/11/1077138711.db2.gz JTDAUCMQAWLJAB-XPTSAGLGSA-N 0 0 422.239 2.015 20 5 HEBDRN CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743952805 1077260965 /nfs/dbraw/zinc/26/09/65/1077260965.db2.gz LJUUUGMIZYZGPJ-UHFFFAOYSA-N 0 0 414.418 2.485 20 5 HEBDRN COC(=O)Nc1cccc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000744147706 1077330622 /nfs/dbraw/zinc/33/06/22/1077330622.db2.gz FGXCNCVAADGMFZ-UHFFFAOYSA-N 0 0 402.363 2.141 20 5 HEBDRN Cn1cc(-c2cccc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])c2)cn1 ZINC000744148626 1077331260 /nfs/dbraw/zinc/33/12/60/1077331260.db2.gz JBIVEODYJBGCSM-UHFFFAOYSA-N 0 0 409.402 2.363 20 5 HEBDRN Cc1cnn(-c2ccc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 ZINC000744150158 1077332041 /nfs/dbraw/zinc/33/20/41/1077332041.db2.gz XOCLJTRLKGBGFB-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN Cc1csc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000744311442 1077367149 /nfs/dbraw/zinc/36/71/49/1077367149.db2.gz MKTAZRBMHRGAEM-AWEZNQCLSA-N 0 0 411.461 2.256 20 5 HEBDRN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1[N+](=O)[O-] ZINC000744339032 1077369347 /nfs/dbraw/zinc/36/93/47/1077369347.db2.gz YSVBRRRQJDNHGK-UHFFFAOYSA-N 0 0 409.420 2.428 20 5 HEBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000744387256 1077377159 /nfs/dbraw/zinc/37/71/59/1077377159.db2.gz RDRWQLMOVUFPOH-CQSZACIVSA-N 0 0 400.460 2.423 20 5 HEBDRN O=C(CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744424650 1077388037 /nfs/dbraw/zinc/38/80/37/1077388037.db2.gz SVGOCOBXEHVDKY-HNNXBMFYSA-N 0 0 424.885 2.290 20 5 HEBDRN Cc1cccc2c1CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000737544571 1077394020 /nfs/dbraw/zinc/39/40/20/1077394020.db2.gz VHAWFEYHGLGEEW-UHFFFAOYSA-N 0 0 403.460 2.109 20 5 HEBDRN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000744562762 1077472772 /nfs/dbraw/zinc/47/27/72/1077472772.db2.gz SAIOALGNABXKKR-CYBMUJFWSA-N 0 0 406.439 2.222 20 5 HEBDRN Cc1cc(NC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n(C(C)(C)C)n1 ZINC000744576964 1077491894 /nfs/dbraw/zinc/49/18/94/1077491894.db2.gz KXOJJAYEILGMME-UHFFFAOYSA-N 0 0 418.406 2.421 20 5 HEBDRN C[C@H]1CN=C(N2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)S1 ZINC000744608288 1077498089 /nfs/dbraw/zinc/49/80/89/1077498089.db2.gz ZFCAYIIPRICAAK-ZDUSSCGKSA-N 0 0 400.464 2.030 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000744597144 1077507793 /nfs/dbraw/zinc/50/77/93/1077507793.db2.gz ZMWLWWFENJZWCU-UHFFFAOYSA-N 0 0 409.402 2.069 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744660372 1077529143 /nfs/dbraw/zinc/52/91/43/1077529143.db2.gz RVHPFORWQFCHLB-RISCZKNCSA-N 0 0 403.370 2.063 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744664779 1077532284 /nfs/dbraw/zinc/53/22/84/1077532284.db2.gz XATSWFLTCYLAKW-QMMMGPOBSA-N 0 0 411.758 2.232 20 5 HEBDRN Cc1nnc([C@@H](C)OC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744667727 1077534298 /nfs/dbraw/zinc/53/42/98/1077534298.db2.gz ZCXJNOOGGWBRQL-IAQYHMDHSA-N 0 0 424.435 2.134 20 5 HEBDRN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744669369 1077534728 /nfs/dbraw/zinc/53/47/28/1077534728.db2.gz OOWCXORHEDDPDD-INIZCTEOSA-N 0 0 420.466 2.183 20 5 HEBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2sccc2-n2cnnn2)cccc1[N+](=O)[O-] ZINC000744716057 1077565393 /nfs/dbraw/zinc/56/53/93/1077565393.db2.gz KKKURKVYIGIYCY-SNVBAGLBSA-N 0 0 402.392 2.124 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000744870560 1077629371 /nfs/dbraw/zinc/62/93/71/1077629371.db2.gz XAEMMMZSWIKOQP-XHDPSFHLSA-N 0 0 422.825 2.406 20 5 HEBDRN Cc1c(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744900342 1077642355 /nfs/dbraw/zinc/64/23/55/1077642355.db2.gz XOBJTOXDXGRGPQ-AWEZNQCLSA-N 0 0 417.378 2.206 20 5 HEBDRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C ZINC000744924139 1077653423 /nfs/dbraw/zinc/65/34/23/1077653423.db2.gz FHSZMFCJHOWLHE-LLVKDONJSA-N 0 0 406.395 2.073 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000744924509 1077653428 /nfs/dbraw/zinc/65/34/28/1077653428.db2.gz KGAOHQIEYDXQCY-JTQLQIEISA-N 0 0 421.366 2.014 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000744926879 1077655045 /nfs/dbraw/zinc/65/50/45/1077655045.db2.gz CVHHSRDWBKIHMS-KBXCAEBGSA-N 0 0 417.462 2.498 20 5 HEBDRN CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000744927959 1077655897 /nfs/dbraw/zinc/65/58/97/1077655897.db2.gz PVIPYMHGSTVNHT-LLVKDONJSA-N 0 0 403.395 2.055 20 5 HEBDRN Cn1cc(N2CCC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)cn1 ZINC000744916114 1077665517 /nfs/dbraw/zinc/66/55/17/1077665517.db2.gz VGTGQRQCUWZYJQ-CQSZACIVSA-N 0 0 423.223 2.443 20 5 HEBDRN COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744968269 1077683383 /nfs/dbraw/zinc/68/33/83/1077683383.db2.gz GBFPMSSFXUQBKT-QMMMGPOBSA-N 0 0 410.770 2.239 20 5 HEBDRN COC(=O)[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1F ZINC000744996910 1077700678 /nfs/dbraw/zinc/70/06/78/1077700678.db2.gz ARDPQVSLFNJSNG-MRXNPFEDSA-N 0 0 400.322 2.386 20 5 HEBDRN CCC(CC)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745026273 1077709234 /nfs/dbraw/zinc/70/92/34/1077709234.db2.gz BPVXACVISANXBV-AAEUAGOBSA-N 0 0 411.480 2.497 20 5 HEBDRN 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CC(=O)N1CCN(c2ccc(C(=O)O[C@@H]3CCOC(C)(C)C3)cc2[N+](=O)[O-])CC1 ZINC000785907473 1080306240 /nfs/dbraw/zinc/30/62/40/1080306240.db2.gz YVIQTBRKJBUITQ-MRXNPFEDSA-N 0 0 405.451 2.378 20 5 HEBDRN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000785941020 1080308915 /nfs/dbraw/zinc/30/89/15/1080308915.db2.gz LEKWUWKYGFKKTC-HNNXBMFYSA-N 0 0 412.826 2.278 20 5 HEBDRN COc1cc(COC(=O)C(C)(C)S(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000785979686 1080334417 /nfs/dbraw/zinc/33/44/17/1080334417.db2.gz IAPONJNHOPNTSN-UHFFFAOYSA-N 0 0 411.379 2.114 20 5 HEBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Br)nc1 ZINC000742809596 1080337286 /nfs/dbraw/zinc/33/72/86/1080337286.db2.gz ACDYCXUKNMCVET-UHFFFAOYSA-N 0 0 414.237 2.432 20 5 HEBDRN O=C(OCCOc1cccc(Cl)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000768146451 1080353858 /nfs/dbraw/zinc/35/38/58/1080353858.db2.gz FMOIPAXEEFCAAY-NSHDSACASA-N 0 0 409.782 2.463 20 5 HEBDRN CC(C)(O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000772675620 1080373409 /nfs/dbraw/zinc/37/34/09/1080373409.db2.gz ICHZBNYEONEQBW-HNNXBMFYSA-N 0 0 401.419 2.336 20 5 HEBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000768206476 1080396280 /nfs/dbraw/zinc/39/62/80/1080396280.db2.gz JWJFKPBIRDNDFS-UHFFFAOYSA-N 0 0 423.425 2.372 20 5 HEBDRN Cc1c(C(=O)NCc2cnc(N3CCOCC3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000786165465 1080436006 /nfs/dbraw/zinc/43/60/06/1080436006.db2.gz MJEGWDXDXBAMQK-UHFFFAOYSA-N 0 0 407.408 2.035 20 5 HEBDRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000786126858 1080443612 /nfs/dbraw/zinc/44/36/12/1080443612.db2.gz ONMVVNBJDKSZTH-SFHVURJKSA-N 0 0 424.417 2.164 20 5 HEBDRN C[C@H](OC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786127153 1080447688 /nfs/dbraw/zinc/44/76/88/1080447688.db2.gz WLIJTYRQSUDFHK-LBPRGKRZSA-N 0 0 401.375 2.033 20 5 HEBDRN 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Nn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1n[nH]c2c1CCC2 ZINC000768432931 1080552103 /nfs/dbraw/zinc/55/21/03/1080552103.db2.gz FIVMSRKPPOGALN-UHFFFAOYSA-N 0 0 401.452 2.340 20 5 HEBDRN O=C(CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000768464026 1080584180 /nfs/dbraw/zinc/58/41/80/1080584180.db2.gz WKAVWJVEXFXIMK-UHFFFAOYSA-N 0 0 411.168 2.456 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000768464314 1080584969 /nfs/dbraw/zinc/58/49/69/1080584969.db2.gz YIZBEVGFXARJNG-UHFFFAOYSA-N 0 0 402.241 2.202 20 5 HEBDRN COC(=O)c1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000768509632 1080598557 /nfs/dbraw/zinc/59/85/57/1080598557.db2.gz OHWANKWFXMDZCN-UHFFFAOYSA-N 0 0 401.327 2.192 20 5 HEBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000768537806 1080617165 /nfs/dbraw/zinc/61/71/65/1080617165.db2.gz PGSWOHYQSDKDLP-KGLIPLIRSA-N 0 0 410.475 2.126 20 5 HEBDRN 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1080699447 /nfs/dbraw/zinc/69/94/47/1080699447.db2.gz BDVRUXGPSDCZMG-IYBDPMFKSA-N 0 0 402.495 2.424 20 5 HEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000786573545 1080699468 /nfs/dbraw/zinc/69/94/68/1080699468.db2.gz BDVRUXGPSDCZMG-HOTGVXAUSA-N 0 0 402.495 2.424 20 5 HEBDRN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)c(OC)c1OC ZINC000786576122 1080700875 /nfs/dbraw/zinc/70/08/75/1080700875.db2.gz SJFHDNURTRWHOV-UHFFFAOYSA-N 0 0 402.407 2.423 20 5 HEBDRN COC(=O)c1[nH]c(C)c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C ZINC000768670288 1080708541 /nfs/dbraw/zinc/70/85/41/1080708541.db2.gz KUNCFKXCTBSFTQ-UHFFFAOYSA-N 0 0 417.374 2.481 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1nncn1-c1ccccc1 ZINC000768698650 1080714180 /nfs/dbraw/zinc/71/41/80/1080714180.db2.gz JHTDITIJAZLAAU-UHFFFAOYSA-N 0 0 415.793 2.302 20 5 HEBDRN O=C(OCCc1cn(-c2ccc(F)cc2)nn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000786620501 1080715339 /nfs/dbraw/zinc/71/53/39/1080715339.db2.gz 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ZINC000739979486 1076090249 /nfs/dbraw/zinc/09/02/49/1076090249.db2.gz FKMKNTLJJJMWDZ-UHFFFAOYSA-N 0 0 400.796 2.188 20 5 HEBDRN O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739936958 1076094892 /nfs/dbraw/zinc/09/48/92/1076094892.db2.gz UBCJGZMOIRMYSX-UHFFFAOYSA-N 0 0 404.736 2.313 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000739949409 1076095989 /nfs/dbraw/zinc/09/59/89/1076095989.db2.gz GSCIEMVYVABLMN-UHFFFAOYSA-N 0 0 418.880 2.142 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)CCc2nc(-c3ccoc3)no2)c([N+](=O)[O-])c1 ZINC000740277872 1076135917 /nfs/dbraw/zinc/13/59/17/1076135917.db2.gz AEDNUNTUNIJZEW-UHFFFAOYSA-N 0 0 416.346 2.361 20 5 HEBDRN O=C(COC(=O)c1ccnc(N2CCCCC2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000740312369 1076141759 /nfs/dbraw/zinc/14/17/59/1076141759.db2.gz UYAARFUTLORTPQ-UHFFFAOYSA-N 0 0 411.418 2.121 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)N(C)C)c2)c([N+](=O)[O-])c1 ZINC000740369434 1076149210 /nfs/dbraw/zinc/14/92/10/1076149210.db2.gz SSGFVSRAENEZRQ-UHFFFAOYSA-N 0 0 416.390 2.492 20 5 HEBDRN CC(C)(C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000740390416 1076160370 /nfs/dbraw/zinc/16/03/70/1076160370.db2.gz DBVMNBDWKBXFPV-UHFFFAOYSA-N 0 0 420.443 2.458 20 5 HEBDRN CNC(=O)[C@H](NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000740391595 1076160467 /nfs/dbraw/zinc/16/04/67/1076160467.db2.gz NUTSGIIXQGFCMY-GOSISDBHSA-N 0 0 413.430 2.019 20 5 HEBDRN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000740394973 1076161391 /nfs/dbraw/zinc/16/13/91/1076161391.db2.gz RCOMGCQIYCGUBA-MRXNPFEDSA-N 0 0 406.435 2.360 20 5 HEBDRN Cc1ccc(NCCCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)c([N+](=O)[O-])c1 ZINC000740509871 1076197685 /nfs/dbraw/zinc/19/76/85/1076197685.db2.gz IDLGFODUMCRTGY-UHFFFAOYSA-N 0 0 423.433 2.041 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 ZINC000740628680 1076207356 /nfs/dbraw/zinc/20/73/56/1076207356.db2.gz JVQJDFKISDMGKW-UHFFFAOYSA-N 0 0 414.443 2.478 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)CC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000740734076 1076219516 /nfs/dbraw/zinc/21/95/16/1076219516.db2.gz SPLVXAKYUYPZOW-KSSFIOAISA-N 0 0 419.478 2.413 20 5 HEBDRN O=C([C@@H]1CSC(=O)N1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000740740703 1076229978 /nfs/dbraw/zinc/22/99/78/1076229978.db2.gz ZFTABXKTJBPDEN-JTQLQIEISA-N 0 0 404.370 2.087 20 5 HEBDRN CN(C)c1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)n1 ZINC000740790383 1076238365 /nfs/dbraw/zinc/23/83/65/1076238365.db2.gz ILXNGENCFMAFHX-UHFFFAOYSA-N 0 0 417.853 2.307 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000740794242 1076240695 /nfs/dbraw/zinc/24/06/95/1076240695.db2.gz IYCXINVQFPEBNX-UHFFFAOYSA-N 0 0 404.810 2.188 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cc(F)ccc1N1CCOCC1 ZINC000740800492 1076241402 /nfs/dbraw/zinc/24/14/02/1076241402.db2.gz FDGWTWQWIFOUOW-UHFFFAOYSA-N 0 0 413.409 2.237 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000740861366 1076270691 /nfs/dbraw/zinc/27/06/91/1076270691.db2.gz NOSCASXXBDAXLS-FQEVSTJZSA-N 0 0 424.457 2.374 20 5 HEBDRN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000740871221 1076276221 /nfs/dbraw/zinc/27/62/21/1076276221.db2.gz VHSBEPQKLXEDEN-NXEZZACHSA-N 0 0 412.436 2.359 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000740871897 1076276624 /nfs/dbraw/zinc/27/66/24/1076276624.db2.gz SZFJRBNHSVDRHK-UHFFFAOYSA-N 0 0 424.373 2.114 20 5 HEBDRN CC(C)C[C@]1(C)CC(=O)N(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000740861134 1076286650 /nfs/dbraw/zinc/28/66/50/1076286650.db2.gz LBWVGWNARLSWCZ-OAQYLSRUSA-N 0 0 416.478 2.121 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000740895113 1076295330 /nfs/dbraw/zinc/29/53/30/1076295330.db2.gz FIMRNMQNIOYUNB-NSHDSACASA-N 0 0 423.285 2.079 20 5 HEBDRN CCOC(=O)c1ccnc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1[N+](=O)[O-] ZINC000737398005 1076298620 /nfs/dbraw/zinc/29/86/20/1076298620.db2.gz JOEHCTDJNUSWQW-OAHLLOKOSA-N 0 0 417.344 2.152 20 5 HEBDRN O=C(NCc1ccc(Cl)nc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740905861 1076298936 /nfs/dbraw/zinc/29/89/36/1076298936.db2.gz VYGPUNOBWXOPSG-UHFFFAOYSA-N 0 0 403.826 2.311 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)c1ccccc1Cl ZINC000740931005 1076300477 /nfs/dbraw/zinc/30/04/77/1076300477.db2.gz IXAPLIVQBHUNFH-CQSZACIVSA-N 0 0 412.229 2.481 20 5 HEBDRN O=C(CN1CCN(c2ccccn2)CC1)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000741039243 1076334985 /nfs/dbraw/zinc/33/49/85/1076334985.db2.gz SUPKMLUHZHZABE-UHFFFAOYSA-N 0 0 400.435 2.124 20 5 HEBDRN COc1ccc([C@H]2[C@H](COC(=O)CCn3cc([N+](=O)[O-])cn3)CCC(=O)N2C)cc1 ZINC000741122990 1076379861 /nfs/dbraw/zinc/37/98/61/1076379861.db2.gz WXNUKDPNLHRNIM-YWZLYKJASA-N 0 0 416.434 2.343 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000741230687 1076425228 /nfs/dbraw/zinc/42/52/28/1076425228.db2.gz BMOORKBKSWSMFF-OAHLLOKOSA-N 0 0 416.438 2.209 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000766268180 1076469941 /nfs/dbraw/zinc/46/99/41/1076469941.db2.gz DAGPLEDOCAYWQC-JQWIXIFHSA-N 0 0 419.887 2.273 20 5 HEBDRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741441090 1076530469 /nfs/dbraw/zinc/53/04/69/1076530469.db2.gz UDCNTEWPRJPZQS-UHFFFAOYSA-N 0 0 410.791 2.136 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741441356 1076530761 /nfs/dbraw/zinc/53/07/61/1076530761.db2.gz WHJRJFIPFJFHBG-HNNXBMFYSA-N 0 0 406.439 2.261 20 5 HEBDRN COC(=O)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 ZINC000741582033 1076553276 /nfs/dbraw/zinc/55/32/76/1076553276.db2.gz MBRXSRMWVLYAKT-CYBMUJFWSA-N 0 0 418.427 2.305 20 5 HEBDRN COC(=O)C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc21 ZINC000741583449 1076553597 /nfs/dbraw/zinc/55/35/97/1076553597.db2.gz ZAWWBHTWNQAMKN-CYBMUJFWSA-N 0 0 407.386 2.483 20 5 HEBDRN O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000741605206 1076562986 /nfs/dbraw/zinc/56/29/86/1076562986.db2.gz XQIGBNSOXMQMNU-LBPRGKRZSA-N 0 0 405.357 2.283 20 5 HEBDRN Cc1c(C(=O)NCCCN2C(=O)COc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741634969 1076574306 /nfs/dbraw/zinc/57/43/06/1076574306.db2.gz DIEOBZOBWSKMGA-UHFFFAOYSA-N 0 0 414.374 2.357 20 5 HEBDRN O=C(c1cc(N2CCOC2=O)ccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000741697827 1076595589 /nfs/dbraw/zinc/59/55/89/1076595589.db2.gz TZNOEEWKPXIKPS-GFCCVEGCSA-N 0 0 415.381 2.412 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)OCC2CCC2)c([N+](=O)[O-])c1 ZINC000741826148 1076646643 /nfs/dbraw/zinc/64/66/43/1076646643.db2.gz AQYORXROQPVDSW-UHFFFAOYSA-N 0 0 400.453 2.347 20 5 HEBDRN CNc1ccc(C(=O)OCC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000741827466 1076647570 /nfs/dbraw/zinc/64/75/70/1076647570.db2.gz KFBKEZCLOZKXTO-UHFFFAOYSA-N 0 0 423.429 2.407 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cccc(NS(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000741832294 1076649569 /nfs/dbraw/zinc/64/95/69/1076649569.db2.gz LDJNUFOSBSYUIL-UHFFFAOYSA-N 0 0 410.404 2.211 20 5 HEBDRN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000741893822 1076660119 /nfs/dbraw/zinc/66/01/19/1076660119.db2.gz PXFVVFTZHPLJSY-UHFFFAOYSA-N 0 0 421.431 2.048 20 5 HEBDRN CN(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 ZINC000741890130 1076661349 /nfs/dbraw/zinc/66/13/49/1076661349.db2.gz ZWYOHKWIIPVMAB-UHFFFAOYSA-N 0 0 402.432 2.394 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2=O)n1 ZINC000742018248 1076709512 /nfs/dbraw/zinc/70/95/12/1076709512.db2.gz IIQKYFPFYUEFSK-GFCCVEGCSA-N 0 0 422.239 2.016 20 5 HEBDRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000742007820 1076714559 /nfs/dbraw/zinc/71/45/59/1076714559.db2.gz RHMIKSBKBYGCIM-IBGZPJMESA-N 0 0 410.430 2.452 20 5 HEBDRN CC(C)(C)OC(=O)N1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000742048487 1076717008 /nfs/dbraw/zinc/71/70/08/1076717008.db2.gz OJTOTDQFWUPUFZ-UHFFFAOYSA-N 0 0 406.483 2.196 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCc1ccccc1[N+](=O)[O-] ZINC000742133112 1076750421 /nfs/dbraw/zinc/75/04/21/1076750421.db2.gz IVZYWXYFNVRGFJ-UHFFFAOYSA-N 0 0 406.782 2.245 20 5 HEBDRN CCOc1cccc(N2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)n1 ZINC000742148168 1076765723 /nfs/dbraw/zinc/76/57/23/1076765723.db2.gz SJYYOOIKZVBRRV-UHFFFAOYSA-N 0 0 409.450 2.427 20 5 HEBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000742189700 1076777863 /nfs/dbraw/zinc/77/78/63/1076777863.db2.gz XWWBTZRMPHLXTD-UHFFFAOYSA-N 0 0 407.430 2.393 20 5 HEBDRN C[C@H]1CN=C(N2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)S1 ZINC000742191446 1076779962 /nfs/dbraw/zinc/77/99/62/1076779962.db2.gz HIZXAGOYVDBETP-ZDUSSCGKSA-N 0 0 400.464 2.030 20 5 HEBDRN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274538 1076807957 /nfs/dbraw/zinc/80/79/57/1076807957.db2.gz CPUANNWVPXTONB-UHFFFAOYSA-N 0 0 417.285 2.229 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)c1 ZINC000742301348 1076812010 /nfs/dbraw/zinc/81/20/10/1076812010.db2.gz DKOLXKGHJVPQMR-JTQLQIEISA-N 0 0 419.175 2.309 20 5 HEBDRN CN(C)C(=O)c1cccc(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000742307526 1076813967 /nfs/dbraw/zinc/81/39/67/1076813967.db2.gz PUPAFPGWYZEXCT-UHFFFAOYSA-N 0 0 411.867 2.471 20 5 HEBDRN CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742282597 1076815279 /nfs/dbraw/zinc/81/52/79/1076815279.db2.gz AFZYYTMSXNWWDX-UHFFFAOYSA-N 0 0 424.273 2.160 20 5 HEBDRN CN(CC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000742290524 1076818533 /nfs/dbraw/zinc/81/85/33/1076818533.db2.gz MQAXNRMGPWHRFA-UHFFFAOYSA-N 0 0 414.484 2.257 20 5 HEBDRN CCOC(=O)COc1ccc(OS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000742327423 1076824647 /nfs/dbraw/zinc/82/46/47/1076824647.db2.gz IRMZOCHAMHVYDW-UHFFFAOYSA-N 0 0 411.388 2.313 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000742334948 1076825551 /nfs/dbraw/zinc/82/55/51/1076825551.db2.gz YLSOFDWXWHPRID-UHFFFAOYSA-N 0 0 421.406 2.438 20 5 HEBDRN C[C@@H](Oc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(N)=O ZINC000742310534 1076827006 /nfs/dbraw/zinc/82/70/06/1076827006.db2.gz XYHUCIPXGXNSLX-SECBINFHSA-N 0 0 400.796 2.269 20 5 HEBDRN C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000742311157 1076827141 /nfs/dbraw/zinc/82/71/41/1076827141.db2.gz LAQYXYSCVJBRAA-LLVKDONJSA-N 0 0 403.432 2.364 20 5 HEBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000742342502 1076831146 /nfs/dbraw/zinc/83/11/46/1076831146.db2.gz QBFDCWGLIPYXAJ-GFCCVEGCSA-N 0 0 415.468 2.281 20 5 HEBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000742413274 1076836120 /nfs/dbraw/zinc/83/61/20/1076836120.db2.gz NAXVEDLLTDNOPA-INIZCTEOSA-N 0 0 404.448 2.029 20 5 HEBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCCN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000742419874 1076836631 /nfs/dbraw/zinc/83/66/31/1076836631.db2.gz QUJNTLKSYKFAMA-KRWDZBQOSA-N 0 0 418.475 2.419 20 5 HEBDRN CS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000742421296 1076836803 /nfs/dbraw/zinc/83/68/03/1076836803.db2.gz MDLWOSUFHISWPN-JSGCOSHPSA-N 0 0 401.510 2.312 20 5 HEBDRN CCO[C@@H](C)c1noc(CN2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)n1 ZINC000742422997 1076837024 /nfs/dbraw/zinc/83/70/24/1076837024.db2.gz HHMXSBUBANRNSM-ZDUSSCGKSA-N 0 0 401.427 2.045 20 5 HEBDRN COCCOC[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000742424696 1076837174 /nfs/dbraw/zinc/83/71/74/1076837174.db2.gz AMQZQZVFTNVTNP-LLVKDONJSA-N 0 0 412.386 2.378 20 5 HEBDRN CCOC(=O)c1cnc(N2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)s1 ZINC000742424560 1076837328 /nfs/dbraw/zinc/83/73/28/1076837328.db2.gz KKRFKZRJEGJVJN-UHFFFAOYSA-N 0 0 404.408 2.091 20 5 HEBDRN CN(CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000742400336 1076837822 /nfs/dbraw/zinc/83/78/22/1076837822.db2.gz FCFMHCRTTQJINI-UHFFFAOYSA-N 0 0 408.455 2.346 20 5 HEBDRN Nn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1C1CCOCC1 ZINC000742457393 1076843910 /nfs/dbraw/zinc/84/39/10/1076843910.db2.gz OZRNZDXKTFGKTH-UHFFFAOYSA-N 0 0 403.424 2.136 20 5 HEBDRN CS[C@@H]1CC[C@@H](NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 ZINC000742740045 1076873334 /nfs/dbraw/zinc/87/33/34/1076873334.db2.gz MQBJTDQZTAJFQE-HZPDHXFCSA-N 0 0 406.508 2.277 20 5 HEBDRN CCO[C@H](C)c1noc(CN2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000742792646 1076879780 /nfs/dbraw/zinc/87/97/80/1076879780.db2.gz FHPFGKRABNXYQG-GFCCVEGCSA-N 0 0 407.402 2.172 20 5 HEBDRN CCC(=O)c1ccc(OC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000737467583 1076884077 /nfs/dbraw/zinc/88/40/77/1076884077.db2.gz SUAFNQHVMWWVET-UHFFFAOYSA-N 0 0 406.416 2.414 20 5 HEBDRN O=C(NC[C@H](O)COc1cccc(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000742807132 1076884984 /nfs/dbraw/zinc/88/49/84/1076884984.db2.gz GQFYFHLMPUCIMR-INIZCTEOSA-N 0 0 400.366 2.089 20 5 HEBDRN COc1ccc(C(=O)NCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000742830342 1076887367 /nfs/dbraw/zinc/88/73/67/1076887367.db2.gz OOHKCIGYEIGVGB-CQSZACIVSA-N 0 0 401.419 2.225 20 5 HEBDRN CON(C)S(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743081756 1076947224 /nfs/dbraw/zinc/94/72/24/1076947224.db2.gz DMRAACVZDJGVLB-UHFFFAOYSA-N 0 0 408.436 2.141 20 5 HEBDRN O=C(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000743120234 1076964986 /nfs/dbraw/zinc/96/49/86/1076964986.db2.gz QYNPRXJUKBJBQP-ROUUACIJSA-N 0 0 414.418 2.107 20 5 HEBDRN O=C(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)NCCOc1ccccc1 ZINC000743121776 1076965201 /nfs/dbraw/zinc/96/52/01/1076965201.db2.gz GACXUXNQVDBJMJ-UHFFFAOYSA-N 0 0 410.386 2.133 20 5 HEBDRN Cc1ccn2c(=O)cc(COC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)nc2c1 ZINC000743122376 1076965697 /nfs/dbraw/zinc/96/56/97/1076965697.db2.gz OUWIFZDJZRZNCT-UHFFFAOYSA-N 0 0 405.370 2.454 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(CNC(C)=O)s1 ZINC000743152947 1076968545 /nfs/dbraw/zinc/96/85/45/1076968545.db2.gz LPJYJDWTSREGPS-JTQLQIEISA-N 0 0 421.431 2.485 20 5 HEBDRN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000743543818 1077066061 /nfs/dbraw/zinc/06/60/61/1077066061.db2.gz GZSJNDXPDYVTJV-IBGZPJMESA-N 0 0 400.366 2.164 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000743553514 1077068241 /nfs/dbraw/zinc/06/82/41/1077068241.db2.gz GORZYJVSYDTUJI-IBGZPJMESA-N 0 0 416.365 2.148 20 5 HEBDRN COC(=O)N1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000743581401 1077072549 /nfs/dbraw/zinc/07/25/49/1077072549.db2.gz VWYCRFPAXQMTIP-AWEZNQCLSA-N 0 0 406.439 2.378 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000743608382 1077075032 /nfs/dbraw/zinc/07/50/32/1077075032.db2.gz XRCDJNGAAWITLH-UHFFFAOYSA-N 0 0 419.310 2.144 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000743756919 1077102082 /nfs/dbraw/zinc/10/20/82/1077102082.db2.gz LSORZTKRCJSHNA-OAQYLSRUSA-N 0 0 414.414 2.135 20 5 HEBDRN CC[C@@](C)(O)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000743760469 1077103052 /nfs/dbraw/zinc/10/30/52/1077103052.db2.gz LYUILCSQCGDXGT-GOSISDBHSA-N 0 0 408.432 2.253 20 5 HEBDRN Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000743887841 1077182521 /nfs/dbraw/zinc/18/25/21/1077182521.db2.gz OPPYQAINSHQWNW-UHFFFAOYSA-N 0 0 407.430 2.374 20 5 HEBDRN Cc1c(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cccc1N1CCOC1=O ZINC000743892478 1077202654 /nfs/dbraw/zinc/20/26/54/1077202654.db2.gz FRMMEZZXBYLBAP-UHFFFAOYSA-N 0 0 412.402 2.457 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000743955821 1077263914 /nfs/dbraw/zinc/26/39/14/1077263914.db2.gz LCIJRXBUHKFEAC-QGZVFWFLSA-N 0 0 410.430 2.462 20 5 HEBDRN Cc1cccc(F)c1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000743962537 1077269516 /nfs/dbraw/zinc/26/95/16/1077269516.db2.gz STASUPBJSQJOSF-UHFFFAOYSA-N 0 0 403.366 2.459 20 5 HEBDRN COc1ccc([C@@H]2[C@H](C(=O)OCCn3c(C)ncc3[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000744048507 1077307602 /nfs/dbraw/zinc/30/76/02/1077307602.db2.gz IWYAIFKNSDTPJL-VQIMIIECSA-N 0 0 416.434 2.261 20 5 HEBDRN COc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(NC(C)=O)c1OC ZINC000744106575 1077317870 /nfs/dbraw/zinc/31/78/70/1077317870.db2.gz WBEDIJLZHQUEES-UHFFFAOYSA-N 0 0 417.374 2.366 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)/C=C/c2cnc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000744149811 1077331546 /nfs/dbraw/zinc/33/15/46/1077331546.db2.gz PEYHNXNOABRQFP-SOFGYWHQSA-N 0 0 407.386 2.305 20 5 HEBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000744170131 1077338822 /nfs/dbraw/zinc/33/88/22/1077338822.db2.gz YDGICTLICHOSSS-QGZVFWFLSA-N 0 0 412.446 2.464 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)C3(C(=O)NC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000744200356 1077339143 /nfs/dbraw/zinc/33/91/43/1077339143.db2.gz CYBLBXJSCJDBOH-UHFFFAOYSA-N 0 0 405.451 2.422 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)c3c[nH]c(C(N)=O)c3)CC2)ccc1[N+](=O)[O-] ZINC000744203973 1077339414 /nfs/dbraw/zinc/33/94/14/1077339414.db2.gz KRUCMWOHCPQNLG-UHFFFAOYSA-N 0 0 402.407 2.246 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000744339425 1077369600 /nfs/dbraw/zinc/36/96/00/1077369600.db2.gz SKUTZOCTRALVOK-GHMZBOCLSA-N 0 0 410.370 2.490 20 5 HEBDRN NC(=O)c1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000744376209 1077375038 /nfs/dbraw/zinc/37/50/38/1077375038.db2.gz YDIBNPCOBRXAAX-VIFPVBQESA-N 0 0 420.784 2.478 20 5 HEBDRN CN(CC(=O)Oc1ccccc1OC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737542383 1077389691 /nfs/dbraw/zinc/38/96/91/1077389691.db2.gz HKBJIKXMYFULCM-UHFFFAOYSA-N 0 0 416.358 2.422 20 5 HEBDRN COc1cc(C(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c([N+](=O)[O-])cc1OC ZINC000744455486 1077399724 /nfs/dbraw/zinc/39/97/24/1077399724.db2.gz YXHAFPIXUGYSSU-MRXNPFEDSA-N 0 0 424.406 2.347 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])c1 ZINC000744472893 1077408175 /nfs/dbraw/zinc/40/81/75/1077408175.db2.gz OWBREYOTFLAZAJ-UHFFFAOYSA-N 0 0 424.431 2.090 20 5 HEBDRN COC(=O)c1cc(C(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc([N+](=O)[O-])c1 ZINC000744489236 1077414605 /nfs/dbraw/zinc/41/46/05/1077414605.db2.gz HSSCPUPZOHVSSU-HNNXBMFYSA-N 0 0 422.390 2.117 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000744494390 1077415541 /nfs/dbraw/zinc/41/55/41/1077415541.db2.gz VNKIPLXBZBFWCZ-AWEZNQCLSA-N 0 0 420.399 2.414 20 5 HEBDRN Cc1cc(=O)c(C(=O)OCc2nnc(C(C)(C)C)o2)nn1-c1ccccc1[N+](=O)[O-] ZINC000744508879 1077426067 /nfs/dbraw/zinc/42/60/67/1077426067.db2.gz DLBCOBXYXFOJDZ-UHFFFAOYSA-N 0 0 413.390 2.487 20 5 HEBDRN COc1ccc(OCCOC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 ZINC000744526565 1077443109 /nfs/dbraw/zinc/44/31/09/1077443109.db2.gz OIECQJVIVSDRFH-UHFFFAOYSA-N 0 0 413.390 2.188 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000744541280 1077454505 /nfs/dbraw/zinc/45/45/05/1077454505.db2.gz CIOBVZZXLLQKCC-ZDUSSCGKSA-N 0 0 401.423 2.168 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000744616141 1077503855 /nfs/dbraw/zinc/50/38/55/1077503855.db2.gz LNDLXMOYKPJXFX-UHFFFAOYSA-N 0 0 408.370 2.078 20 5 HEBDRN C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000744616075 1077504065 /nfs/dbraw/zinc/50/40/65/1077504065.db2.gz JDMANYCPGYCZPC-ZDUSSCGKSA-N 0 0 422.397 2.467 20 5 HEBDRN C[C@@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744603486 1077513024 /nfs/dbraw/zinc/51/30/24/1077513024.db2.gz WSKAKCLJUKQAEB-CYBMUJFWSA-N 0 0 400.391 2.010 20 5 HEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000744604895 1077514140 /nfs/dbraw/zinc/51/41/40/1077514140.db2.gz JYWSLRQCMKDEKS-GFCCVEGCSA-N 0 0 400.160 2.218 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000744627928 1077524505 /nfs/dbraw/zinc/52/45/05/1077524505.db2.gz YDICSAIJLUHRNW-MRXNPFEDSA-N 0 0 407.423 2.396 20 5 HEBDRN COc1ccc(OCCOC(=O)CN2c3ccccc3O[C@H](C)C2=O)c([N+](=O)[O-])c1 ZINC000744629925 1077525673 /nfs/dbraw/zinc/52/56/73/1077525673.db2.gz KNNHKYJWRIPRHA-CYBMUJFWSA-N 0 0 416.386 2.340 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000744662912 1077530671 /nfs/dbraw/zinc/53/06/71/1077530671.db2.gz LALYJKNBZFBAIS-UHFFFAOYSA-N 0 0 404.427 2.209 20 5 HEBDRN CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)C)c1 ZINC000744651632 1077538994 /nfs/dbraw/zinc/53/89/94/1077538994.db2.gz FWNSHXCGWSZHCL-SFHVURJKSA-N 0 0 417.422 2.265 20 5 HEBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744719597 1077554690 /nfs/dbraw/zinc/55/46/90/1077554690.db2.gz OEXMRSQZUNYTMQ-SNVBAGLBSA-N 0 0 416.781 2.408 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1 ZINC000744721999 1077555633 /nfs/dbraw/zinc/55/56/33/1077555633.db2.gz HONADSWWFJDZRG-CQSZACIVSA-N 0 0 416.434 2.443 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744733764 1077560531 /nfs/dbraw/zinc/56/05/31/1077560531.db2.gz HHDRGOPMEAUTNS-ZDUSSCGKSA-N 0 0 424.417 2.165 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000744737951 1077574493 /nfs/dbraw/zinc/57/44/93/1077574493.db2.gz YXMGLTWFGPEAMJ-OAHLLOKOSA-N 0 0 421.450 2.453 20 5 HEBDRN C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000744925237 1077654424 /nfs/dbraw/zinc/65/44/24/1077654424.db2.gz UNQHCYVECQXTKO-IUODEOHRSA-N 0 0 402.407 2.098 20 5 HEBDRN C[C@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744909088 1077661789 /nfs/dbraw/zinc/66/17/89/1077661789.db2.gz BXMQUFKROYJRNO-JTQLQIEISA-N 0 0 418.855 2.476 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744976609 1077689036 /nfs/dbraw/zinc/68/90/36/1077689036.db2.gz WRLHNXVQFGKMCN-BXUZGUMPSA-N 0 0 409.464 2.413 20 5 HEBDRN COc1ccc(OCCOC(=O)Cc2cccc(NS(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000744976807 1077689169 /nfs/dbraw/zinc/68/91/69/1077689169.db2.gz WNJAUVKVWRQWDX-UHFFFAOYSA-N 0 0 424.431 2.140 20 5 HEBDRN CCc1cnc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000745013958 1077706203 /nfs/dbraw/zinc/70/62/03/1077706203.db2.gz RSCXNEYUGURSSR-HNNXBMFYSA-N 0 0 409.420 2.042 20 5 HEBDRN Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000745027521 1077709667 /nfs/dbraw/zinc/70/96/67/1077709667.db2.gz HRRWXSGBPAKGEF-GHMZBOCLSA-N 0 0 422.419 2.128 20 5 HEBDRN CCS(=O)(=O)NCc1ccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000745138442 1077750659 /nfs/dbraw/zinc/75/06/59/1077750659.db2.gz XLRKYRAGRALYBV-UHFFFAOYSA-N 0 0 408.432 2.270 20 5 HEBDRN COc1ccccc1C(C)(C)CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000745294714 1077801439 /nfs/dbraw/zinc/80/14/39/1077801439.db2.gz NPRGJPDSUHTLPI-IEBWSBKVSA-N 0 0 417.462 2.275 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000745332370 1077804992 /nfs/dbraw/zinc/80/49/92/1077804992.db2.gz HKTRKPAEWZKTFN-CJNGLKHVSA-N 0 0 400.387 2.025 20 5 HEBDRN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000745331579 1077805062 /nfs/dbraw/zinc/80/50/62/1077805062.db2.gz AACZLTOERMZWOR-UHFFFAOYSA-N 0 0 408.388 2.098 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000745332245 1077805299 /nfs/dbraw/zinc/80/52/99/1077805299.db2.gz FFGVJFGGZFYAKB-CQSZACIVSA-N 0 0 414.414 2.199 20 5 HEBDRN O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000745336083 1077805440 /nfs/dbraw/zinc/80/54/40/1077805440.db2.gz YXEKUIKURCXSJN-UHFFFAOYSA-N 0 0 415.446 2.475 20 5 HEBDRN COc1cccc(F)c1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000745315276 1077806600 /nfs/dbraw/zinc/80/66/00/1077806600.db2.gz YTFJMHAEMPQUNV-UHFFFAOYSA-N 0 0 417.393 2.248 20 5 HEBDRN Cc1cc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1-n1cncn1 ZINC000745410432 1077819922 /nfs/dbraw/zinc/81/99/22/1077819922.db2.gz DYSZOXNDSCLFOS-SFHVURJKSA-N 0 0 407.386 2.446 20 5 HEBDRN O=C(COC(=O)c1cccc(C2OCCO2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000766917133 1079504883 /nfs/dbraw/zinc/50/48/83/1079504883.db2.gz UGVONKWOICJJBF-UHFFFAOYSA-N 0 0 416.342 2.164 20 5 HEBDRN C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000771790730 1079509516 /nfs/dbraw/zinc/50/95/16/1079509516.db2.gz DXBPEXKXEAERPL-ONGXEEELSA-N 0 0 401.213 2.198 20 5 HEBDRN CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000771799355 1079512846 /nfs/dbraw/zinc/51/28/46/1079512846.db2.gz TVKYJJRYPMQTHX-UHFFFAOYSA-N 0 0 402.860 2.340 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1F ZINC000771760118 1079514141 /nfs/dbraw/zinc/51/41/41/1079514141.db2.gz WRFAVRDJNJBYQR-CYBMUJFWSA-N 0 0 400.403 2.311 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000771759721 1079514174 /nfs/dbraw/zinc/51/41/74/1079514174.db2.gz UWBVEZLWPOPSNQ-OAHLLOKOSA-N 0 0 414.411 2.071 20 5 HEBDRN COc1cc(OC)cc([C@H](O)CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000771760060 1079514233 /nfs/dbraw/zinc/51/42/33/1079514233.db2.gz VLQRLVGYRUUONA-MRXNPFEDSA-N 0 0 414.411 2.071 20 5 HEBDRN Cc1nc(Cl)ccc1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000766959202 1079522449 /nfs/dbraw/zinc/52/24/49/1079522449.db2.gz AGQZRHYQVKZPLB-UHFFFAOYSA-N 0 0 407.766 2.405 20 5 HEBDRN Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771804281 1079538538 /nfs/dbraw/zinc/53/85/38/1079538538.db2.gz GQFZAGHBRFSOCT-HNNXBMFYSA-N 0 0 412.443 2.155 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N(CCO)CCOCC(F)(F)F ZINC000771814328 1079544952 /nfs/dbraw/zinc/54/49/52/1079544952.db2.gz OPMWYCGMEIGYGQ-UHFFFAOYSA-N 0 0 405.373 2.208 20 5 HEBDRN CCOC(=O)Nc1ccc2c(COC(=O)c3c([N+](=O)[O-])cnn3C)cc(=O)oc2c1 ZINC000766964168 1079559582 /nfs/dbraw/zinc/55/95/82/1079559582.db2.gz PGUXAYOTLVSBFL-UHFFFAOYSA-N 0 0 416.346 2.360 20 5 HEBDRN CCOC(=O)CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000771927140 1079576678 /nfs/dbraw/zinc/57/66/78/1079576678.db2.gz GGPRGTYUMAOJGE-UHFFFAOYSA-N 0 0 414.256 2.253 20 5 HEBDRN O=C(OCc1cn(Cc2ccccc2)nn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000771946568 1079595804 /nfs/dbraw/zinc/59/58/04/1079595804.db2.gz KOVNIKAXLDHEGB-UHFFFAOYSA-N 0 0 405.374 2.172 20 5 HEBDRN Cc1cccnc1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000771972053 1079616795 /nfs/dbraw/zinc/61/67/95/1079616795.db2.gz PNFYOFYRVZXNLV-KRWDZBQOSA-N 0 0 405.432 2.195 20 5 HEBDRN CCOC1CC(CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000767176517 1079710563 /nfs/dbraw/zinc/71/05/63/1079710563.db2.gz YPNSBYSSXQBISV-FOWTUZBSSA-N 0 0 403.479 2.384 20 5 HEBDRN C[C@H](CONC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)NC(=O)OC(C)(C)C ZINC000767161672 1079722538 /nfs/dbraw/zinc/72/25/38/1079722538.db2.gz BEIAJTJJEXEFJO-SNVBAGLBSA-N 0 0 406.395 2.423 20 5 HEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc(N2CCOC2=O)cc1 ZINC000767209274 1079737684 /nfs/dbraw/zinc/73/76/84/1079737684.db2.gz MNSOMHXGQOONDG-UHFFFAOYSA-N 0 0 422.191 2.359 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)NCCc3cnc(C)s3)cc2[N+](=O)[O-])CC1 ZINC000772214461 1079742887 /nfs/dbraw/zinc/74/28/87/1079742887.db2.gz KLGITPBSFQTNSV-UHFFFAOYSA-N 0 0 417.491 2.001 20 5 HEBDRN C[C@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCO[C@@H]1C1CC1 ZINC000767245386 1079746771 /nfs/dbraw/zinc/74/67/71/1079746771.db2.gz LRZOAWFOKZNALD-CYFNAFFESA-N 0 0 405.426 2.408 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000772254155 1079790364 /nfs/dbraw/zinc/79/03/64/1079790364.db2.gz HPJXNYSYTUKVHA-LBPRGKRZSA-N 0 0 408.842 2.237 20 5 HEBDRN O=C(CCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC000767297975 1079797708 /nfs/dbraw/zinc/79/77/08/1079797708.db2.gz WJSKDERLQPZMSS-UHFFFAOYSA-N 0 0 404.444 2.416 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767308312 1079804354 /nfs/dbraw/zinc/80/43/54/1079804354.db2.gz IJGKDKFKOOZCGB-UHFFFAOYSA-N 0 0 406.464 2.302 20 5 HEBDRN Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000767326142 1079820982 /nfs/dbraw/zinc/82/09/82/1079820982.db2.gz PNJXSSHZBWBANK-LBPRGKRZSA-N 0 0 416.257 2.012 20 5 HEBDRN CCS(=O)(=O)C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000767376417 1079834085 /nfs/dbraw/zinc/83/40/85/1079834085.db2.gz GLPAYNJGUZGOFB-UHFFFAOYSA-N 0 0 405.270 2.397 20 5 HEBDRN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000804355064 1079855043 /nfs/dbraw/zinc/85/50/43/1079855043.db2.gz PXKJFMDAJYIOJE-UHFFFAOYSA-N 0 0 422.485 2.400 20 5 HEBDRN C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000772384374 1079856674 /nfs/dbraw/zinc/85/66/74/1079856674.db2.gz ZHSHVEVGOYCJNP-JQWIXIFHSA-N 0 0 419.356 2.252 20 5 HEBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CCCNC(=O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000772393231 1079860485 /nfs/dbraw/zinc/86/04/85/1079860485.db2.gz ZAIVDLHIVJXOAI-AWEZNQCLSA-N 0 0 414.418 2.379 20 5 HEBDRN Cn1ccnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000767459314 1079884528 /nfs/dbraw/zinc/88/45/28/1079884528.db2.gz XTPRMMCAMMOHEH-OAHLLOKOSA-N 0 0 419.507 2.497 20 5 HEBDRN Cc1nc([C@@](C)(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C2CC2)no1 ZINC001129369243 1079894257 /nfs/dbraw/zinc/89/42/57/1079894257.db2.gz BIWDQNIZUPGWGQ-IBGZPJMESA-N 0 0 401.423 2.178 20 5 HEBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000772485094 1079900297 /nfs/dbraw/zinc/90/02/97/1079900297.db2.gz UIXPCASNLNUBGG-LBPRGKRZSA-N 0 0 416.821 2.107 20 5 HEBDRN COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC000772551668 1079959534 /nfs/dbraw/zinc/95/95/34/1079959534.db2.gz VTXWNTIGNPWNQN-UHFFFAOYSA-N 0 0 420.305 2.045 20 5 HEBDRN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000772571788 1079973140 /nfs/dbraw/zinc/97/31/40/1079973140.db2.gz LMZSSCNRXNGYFE-GOSISDBHSA-N 0 0 410.434 2.100 20 5 HEBDRN COC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C)o1 ZINC000746550158 1079983227 /nfs/dbraw/zinc/98/32/27/1079983227.db2.gz VJIYJHYPYXZQFR-DOMZBBRYSA-N 0 0 405.382 2.492 20 5 HEBDRN CS(=O)(=O)NC[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000772597078 1080001107 /nfs/dbraw/zinc/00/11/07/1080001107.db2.gz BBFWCZQIYOWZEE-NSHDSACASA-N 0 0 406.302 2.119 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)c1c[nH]c2ncccc12 ZINC000767617915 1080012271 /nfs/dbraw/zinc/01/22/71/1080012271.db2.gz LEIDKXQGJYVBSU-JTQLQIEISA-N 0 0 417.399 2.303 20 5 HEBDRN Cc1nccn1-c1ncccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767657760 1080024221 /nfs/dbraw/zinc/02/42/21/1080024221.db2.gz VVOGKFWIJUQJLI-UHFFFAOYSA-N 0 0 420.385 2.390 20 5 HEBDRN CC(C)N(C[C@H](O)COc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000767662906 1080025612 /nfs/dbraw/zinc/02/56/12/1080025612.db2.gz JYWXJQXLQRMOEB-ZDUSSCGKSA-N 0 0 400.478 2.495 20 5 HEBDRN CSCc1noc(CCC(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000767692185 1080042753 /nfs/dbraw/zinc/04/27/53/1080042753.db2.gz SAEGJCLKWZUAMC-CYBMUJFWSA-N 0 0 406.420 2.122 20 5 HEBDRN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785593789 1080066693 /nfs/dbraw/zinc/06/66/93/1080066693.db2.gz AUAAOTDROQBBFA-MRXNPFEDSA-N 0 0 405.361 2.426 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000767760942 1080074449 /nfs/dbraw/zinc/07/44/49/1080074449.db2.gz PFHNJZMKJJKJTR-GFCCVEGCSA-N 0 0 407.423 2.313 20 5 HEBDRN C[C@H](OC(=O)CS(=O)(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000767825430 1080136218 /nfs/dbraw/zinc/13/62/18/1080136218.db2.gz JQTOFCVKLTVFKF-VIFPVBQESA-N 0 0 406.844 2.332 20 5 HEBDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000767832393 1080145997 /nfs/dbraw/zinc/14/59/97/1080145997.db2.gz DCEQTVMFNPEPAK-FQEVSTJZSA-N 0 0 412.402 2.318 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000767855686 1080178869 /nfs/dbraw/zinc/17/88/69/1080178869.db2.gz YTDKHLIYFSFBIL-ZYHUDNBSSA-N 0 0 423.310 2.252 20 5 HEBDRN Cc1cncc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000785671561 1080191257 /nfs/dbraw/zinc/19/12/57/1080191257.db2.gz ROVUHABHKRMLGK-MRXNPFEDSA-N 0 0 419.459 2.442 20 5 HEBDRN CNS(=O)(=O)c1ccc2c(c1)N(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC000742414951 1080209403 /nfs/dbraw/zinc/20/94/03/1080209403.db2.gz KBZIJOFWDIZRMX-XBXARRHUSA-N 0 0 417.443 2.383 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](O)Cc1ccccc1Cl ZINC000785735630 1080209740 /nfs/dbraw/zinc/20/97/40/1080209740.db2.gz MTEDRMAHMDMCTN-OAHLLOKOSA-N 0 0 408.794 2.342 20 5 HEBDRN COc1cccc(C[C@@H](O)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000785705679 1080214861 /nfs/dbraw/zinc/21/48/61/1080214861.db2.gz HHPXFVUZPKPLSY-YVEFUNNKSA-N 0 0 418.402 2.086 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000785789607 1080246875 /nfs/dbraw/zinc/24/68/75/1080246875.db2.gz HFSBKROCDDAKAR-ZETCQYMHSA-N 0 0 401.177 2.366 20 5 HEBDRN CC(C)CN1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCN2C1=O ZINC000785876609 1080271840 /nfs/dbraw/zinc/27/18/40/1080271840.db2.gz IJCIVUGEMMATTK-AWEZNQCLSA-N 0 0 409.874 2.265 20 5 HEBDRN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000768032668 1080275641 /nfs/dbraw/zinc/27/56/41/1080275641.db2.gz VWZHSGGJAYKQDZ-XHDPSFHLSA-N 0 0 401.375 2.083 20 5 HEBDRN O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000768034348 1080276891 /nfs/dbraw/zinc/27/68/91/1080276891.db2.gz GRXUKXQBOUVESK-MRXNPFEDSA-N 0 0 417.805 2.365 20 5 HEBDRN C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000785937198 1080306942 /nfs/dbraw/zinc/30/69/42/1080306942.db2.gz RPBGUNMREVPUHG-SNVBAGLBSA-N 0 0 405.794 2.460 20 5 HEBDRN C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000768079967 1080316369 /nfs/dbraw/zinc/31/63/69/1080316369.db2.gz KGWDXMLTGLDPJI-WLRWDXFRSA-N 0 0 415.377 2.239 20 5 HEBDRN CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000768121009 1080336111 /nfs/dbraw/zinc/33/61/11/1080336111.db2.gz FCVKWCQYCNHNKB-UHFFFAOYSA-N 0 0 418.406 2.246 20 5 HEBDRN CC(C)(O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000772675621 1080373358 /nfs/dbraw/zinc/37/33/58/1080373358.db2.gz ICHZBNYEONEQBW-OAHLLOKOSA-N 0 0 401.419 2.336 20 5 HEBDRN COCCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768204278 1080395114 /nfs/dbraw/zinc/39/51/14/1080395114.db2.gz WFFPWSQYUHILFC-CYBMUJFWSA-N 0 0 421.313 2.383 20 5 HEBDRN COc1ccc(OC)c2c1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C[C@H]2O ZINC000768205430 1080395831 /nfs/dbraw/zinc/39/58/31/1080395831.db2.gz FMCIGMHRJNTLQP-OAHLLOKOSA-N 0 0 402.403 2.432 20 5 HEBDRN NC(=O)c1ccc(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000786125074 1080443805 /nfs/dbraw/zinc/44/38/05/1080443805.db2.gz LHMMMIUZUWKHLS-UHFFFAOYSA-N 0 0 421.793 2.298 20 5 HEBDRN CC(=O)[C@@H](Cc1ccccc1F)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000768334515 1080493088 /nfs/dbraw/zinc/49/30/88/1080493088.db2.gz BWQKDPGNQXDXMZ-MRXNPFEDSA-N 0 0 414.345 2.073 20 5 HEBDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000804367037 1080493753 /nfs/dbraw/zinc/49/37/53/1080493753.db2.gz DTQJXLQZEMWXGC-INIZCTEOSA-N 0 0 412.324 2.348 20 5 HEBDRN CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768343617 1080522153 /nfs/dbraw/zinc/52/21/53/1080522153.db2.gz ZNNZBZGUKOMMRH-GFCCVEGCSA-N 0 0 406.302 2.261 20 5 HEBDRN NC(=O)c1ccc(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)nc1 ZINC000768382152 1080534710 /nfs/dbraw/zinc/53/47/10/1080534710.db2.gz MRKJMTWBKYATJZ-UHFFFAOYSA-N 0 0 420.267 2.173 20 5 HEBDRN Cc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2N)n[nH]1 ZINC000768436840 1080557354 /nfs/dbraw/zinc/55/73/54/1080557354.db2.gz LXXKCWNNYNHZGE-QMMMGPOBSA-N 0 0 422.858 2.371 20 5 HEBDRN Cc1cc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2N)n[nH]1 ZINC000768436489 1080558479 /nfs/dbraw/zinc/55/84/79/1080558479.db2.gz IDMYPXFQOBQERR-SNVBAGLBSA-N 0 0 402.440 2.026 20 5 HEBDRN NC(=O)c1ccc(SCC(=O)Nc2cccc3c2OCC[C@@H]3O)c([N+](=O)[O-])c1 ZINC000768487285 1080579206 /nfs/dbraw/zinc/57/92/06/1080579206.db2.gz VEDLASBAFXQVFI-AWEZNQCLSA-N 0 0 403.416 2.240 20 5 HEBDRN CC(C)(C)c1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)cc1 ZINC000768457909 1080580770 /nfs/dbraw/zinc/58/07/70/1080580770.db2.gz LYYHNGUEOUKGJX-UHFFFAOYSA-N 0 0 402.407 2.321 20 5 HEBDRN CN(CCN(C)C(=O)OC(C)(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000768460613 1080582289 /nfs/dbraw/zinc/58/22/89/1080582289.db2.gz LMUCQRYOPMBGSJ-UHFFFAOYSA-N 0 0 421.454 2.120 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O ZINC000768473893 1080590280 /nfs/dbraw/zinc/59/02/80/1080590280.db2.gz PKHFGXFIGTXPBV-HXUWFJFHSA-N 0 0 412.402 2.318 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000768522798 1080608999 /nfs/dbraw/zinc/60/89/99/1080608999.db2.gz CGWOYXFXHZBSFM-INIZCTEOSA-N 0 0 418.454 2.357 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000768524319 1080609015 /nfs/dbraw/zinc/60/90/15/1080609015.db2.gz OQWOXCCYLRNCEM-DZGCQCFKSA-N 0 0 410.475 2.174 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000786579768 1080669109 /nfs/dbraw/zinc/66/91/09/1080669109.db2.gz SJMSXMOUQGAXBW-NSHDSACASA-N 0 0 406.313 2.079 20 5 HEBDRN CN(C(=O)COC(=O)c1ccnc(Br)c1N)c1ccc([N+](=O)[O-])cc1 ZINC000768589832 1080670264 /nfs/dbraw/zinc/67/02/64/1080670264.db2.gz ZMJNRVOWKZPTON-UHFFFAOYSA-N 0 0 409.196 2.154 20 5 HEBDRN O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786584052 1080672584 /nfs/dbraw/zinc/67/25/84/1080672584.db2.gz NRVMKBFWMKVZBM-LLVKDONJSA-N 0 0 423.731 2.283 20 5 HEBDRN COC(=O)/C=C/c1ccc(NCC2(O)CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000786550795 1080680405 /nfs/dbraw/zinc/68/04/05/1080680405.db2.gz KJTHSGPSRGSAEB-SOFGYWHQSA-N 0 0 407.423 2.175 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786576131 1080701268 /nfs/dbraw/zinc/70/12/68/1080701268.db2.gz OCNFXTHJFIFYHQ-SKDRFNHKSA-N 0 0 403.313 2.018 20 5 HEBDRN CN1CCN(C(=O)CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000768712162 1080729138 /nfs/dbraw/zinc/72/91/38/1080729138.db2.gz KNCVDXHPHMVSLI-UHFFFAOYSA-N 0 0 408.886 2.265 20 5 HEBDRN CC(C)[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000746594438 1080734139 /nfs/dbraw/zinc/73/41/39/1080734139.db2.gz ATBKXZPJJJVZIN-VQIMIIECSA-N 0 0 416.434 2.389 20 5 HEBDRN CCc1ccc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000746594803 1080735978 /nfs/dbraw/zinc/73/59/78/1080735978.db2.gz RVEAPFABODTWJL-MRXNPFEDSA-N 0 0 400.357 2.461 20 5 HEBDRN Cc1nccn1-c1ccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000786711726 1080766694 /nfs/dbraw/zinc/76/66/94/1080766694.db2.gz HAUSFSVIWHQUKK-UHFFFAOYSA-N 0 0 408.418 2.457 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)c2cnc(C3CCCC3)nc2N)c([N+](=O)[O-])c1 ZINC000772688421 1080773869 /nfs/dbraw/zinc/77/38/69/1080773869.db2.gz VQEUXXWLFKNTJO-UHFFFAOYSA-N 0 0 415.406 2.429 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000786730209 1080779451 /nfs/dbraw/zinc/77/94/51/1080779451.db2.gz RCCQLNMANJBARS-ZDUSSCGKSA-N 0 0 409.468 2.417 20 5 HEBDRN COC(=O)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1OC ZINC000768771171 1080789705 /nfs/dbraw/zinc/78/97/05/1080789705.db2.gz VWZLQKRUAAOWEE-HNNXBMFYSA-N 0 0 403.391 2.228 20 5 HEBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnnn1CC1CCOCC1 ZINC000768856766 1080808181 /nfs/dbraw/zinc/80/81/81/1080808181.db2.gz UBRGZZVQMGQXDI-INIZCTEOSA-N 0 0 403.439 2.320 20 5 HEBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ncnn2C)cc1[N+](=O)[O-] 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XUAXARIHRCZUTH-LBPRGKRZSA-N 0 0 420.426 2.096 20 5 HEBDRN O=C(OCc1ccccc1)N1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000746625821 1080948783 /nfs/dbraw/zinc/94/87/83/1080948783.db2.gz QFGWVDCCZHRXSA-UHFFFAOYSA-N 0 0 424.255 2.466 20 5 HEBDRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787021417 1080952066 /nfs/dbraw/zinc/95/20/66/1080952066.db2.gz XXJOIBIRIBSIDL-HNNXBMFYSA-N 0 0 412.446 2.237 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769134407 1080952539 /nfs/dbraw/zinc/95/25/39/1080952539.db2.gz LKLVPDMTDXRPRL-NSHDSACASA-N 0 0 403.366 2.206 20 5 HEBDRN COC(=O)c1cnc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000787024351 1080954719 /nfs/dbraw/zinc/95/47/19/1080954719.db2.gz DPTOOWWPARIPMX-LBPRGKRZSA-N 0 0 404.354 2.136 20 5 HEBDRN O=C(CSc1nnnn1C1CC1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787028929 1080956302 /nfs/dbraw/zinc/95/63/02/1080956302.db2.gz YUAKRWJVBZJWDT-CYBMUJFWSA-N 0 0 422.442 2.360 20 5 HEBDRN CNC(=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000746623394 1080963269 /nfs/dbraw/zinc/96/32/69/1080963269.db2.gz AJJCVDNLJZPKPE-UHFFFAOYSA-N 0 0 415.221 2.485 20 5 HEBDRN CCOc1ccc(NC(=O)COC(=O)C(F)(F)C2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000769190339 1080965242 /nfs/dbraw/zinc/96/52/42/1080965242.db2.gz PMQTWMQHAWLHHS-UHFFFAOYSA-N 0 0 402.350 2.416 20 5 HEBDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000787082278 1080986156 /nfs/dbraw/zinc/98/61/56/1080986156.db2.gz WKUWIFFEBNLJAN-NSHDSACASA-N 0 0 400.391 2.111 20 5 HEBDRN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769237901 1081012198 /nfs/dbraw/zinc/01/21/98/1081012198.db2.gz SGAJOIHVKRMQSW-DNVCBOLYSA-N 0 0 406.508 2.481 20 5 HEBDRN CN1Cc2cc(OC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)ccc2C1=O ZINC000769290706 1081046992 /nfs/dbraw/zinc/04/69/92/1081046992.db2.gz IDCZPMBRDWAVNG-LBPRGKRZSA-N 0 0 413.361 2.278 20 5 HEBDRN CC[C@@H](C)N(OC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000769447343 1081082692 /nfs/dbraw/zinc/08/26/92/1081082692.db2.gz OKVYKOMVKKNCMD-CQSZACIVSA-N 0 0 413.496 2.492 20 5 HEBDRN COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)CC2)cc1 ZINC000769475737 1081092246 /nfs/dbraw/zinc/09/22/46/1081092246.db2.gz KGYXVQRWYCPRFY-UHFFFAOYSA-N 0 0 405.357 2.480 20 5 HEBDRN Cc1c(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000769548298 1081121218 /nfs/dbraw/zinc/12/12/18/1081121218.db2.gz NGTKOSJMWIXFHS-UHFFFAOYSA-N 0 0 413.365 2.138 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)CCN2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] ZINC000769579813 1081134131 /nfs/dbraw/zinc/13/41/31/1081134131.db2.gz QGLZXZHHQPGGMP-UHFFFAOYSA-N 0 0 412.354 2.016 20 5 HEBDRN COc1cccc(C(=O)O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000769605776 1081167076 /nfs/dbraw/zinc/16/70/76/1081167076.db2.gz TXGBUSNQXFMPOF-OLZOCXBDSA-N 0 0 416.386 2.105 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000769605590 1081167315 /nfs/dbraw/zinc/16/73/15/1081167315.db2.gz YKKJIYMLXLJKRD-MRXNPFEDSA-N 0 0 410.346 2.189 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000769607188 1081167725 /nfs/dbraw/zinc/16/77/25/1081167725.db2.gz XJELZTPNVYZCRM-UHFFFAOYSA-N 0 0 417.393 2.248 20 5 HEBDRN O=C(COC(=O)c1coc(C2CCC2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769620318 1081175930 /nfs/dbraw/zinc/17/59/30/1081175930.db2.gz DHRUGERGLULXAM-UHFFFAOYSA-N 0 0 414.418 2.356 20 5 HEBDRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769620567 1081177673 /nfs/dbraw/zinc/17/76/73/1081177673.db2.gz ATIMNZNKMUOPSH-UHFFFAOYSA-N 0 0 424.385 2.326 20 5 HEBDRN COCCn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CC(=O)N2C(C)(C)C)cn1 ZINC000328603546 571307582 /nfs/dbraw/zinc/30/75/82/571307582.db2.gz GKRBSXXEPHOQLV-IFXJQAMLSA-N 0 0 416.482 2.633 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698940 719878778 /nfs/dbraw/zinc/87/87/78/719878778.db2.gz GHWMMLWFSGACQS-DYESRHJHSA-N 0 0 414.462 2.376 20 5 HEBDRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1 ZINC001164709740 720070705 /nfs/dbraw/zinc/07/07/05/720070705.db2.gz BKBCVVUBAXWWDM-CHWSQXEVSA-N 0 0 412.784 2.306 20 5 HEBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164788053 721418059 /nfs/dbraw/zinc/41/80/59/721418059.db2.gz QQCGSIYCLLGISX-CHWSQXEVSA-N 0 0 403.464 2.191 20 5 HEBDRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1 ZINC001164892734 721455448 /nfs/dbraw/zinc/45/54/48/721455448.db2.gz XPWCSGVBJKMDAB-AVGNSLFASA-N 0 0 416.812 2.451 20 5 HEBDRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC001164968852 722083222 /nfs/dbraw/zinc/08/32/22/722083222.db2.gz IAMRRGPFWSQAOF-OAHLLOKOSA-N 0 0 404.801 2.406 20 5 HEBDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769621944 1078476000 /nfs/dbraw/zinc/47/60/00/1078476000.db2.gz IGALDQZKEJSOOO-LBPRGKRZSA-N 0 0 407.427 2.017 20 5 HEBDRN O=C(Cn1nccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000769661249 1078499690 /nfs/dbraw/zinc/49/96/90/1078499690.db2.gz XOCSSJZKHBMDST-UHFFFAOYSA-N 0 0 409.358 2.411 20 5 HEBDRN O=C(OCc1ccc(-n2ccnc2)nc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769666591 1078506898 /nfs/dbraw/zinc/50/68/98/1078506898.db2.gz CNMZHHMJCSOTPU-UHFFFAOYSA-N 0 0 421.369 2.186 20 5 HEBDRN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769668124 1078507697 /nfs/dbraw/zinc/50/76/97/1078507697.db2.gz BXJXDEIRIVGFIQ-JSGCOSHPSA-N 0 0 417.418 2.100 20 5 HEBDRN O=C(OCCOC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000769671717 1078512602 /nfs/dbraw/zinc/51/26/02/1078512602.db2.gz GVLNWCPFXDNYQN-UHFFFAOYSA-N 0 0 412.354 2.262 20 5 HEBDRN CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(C)C ZINC000769672010 1078512708 /nfs/dbraw/zinc/51/27/08/1078512708.db2.gz IRFFUWJSXULRSB-ZDUSSCGKSA-N 0 0 419.434 2.439 20 5 HEBDRN CC(C)C[C@H](C)N(C)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769673834 1078515293 /nfs/dbraw/zinc/51/52/93/1078515293.db2.gz RZAXXHVBISOZQW-ZDUSSCGKSA-N 0 0 419.434 2.298 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001170009294 1078523926 /nfs/dbraw/zinc/52/39/26/1078523926.db2.gz NGTIUNKZOBZMFM-CVEARBPZSA-N 0 0 415.450 2.126 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001170009299 1078523953 /nfs/dbraw/zinc/52/39/53/1078523953.db2.gz NGTIUNKZOBZMFM-HZPDHXFCSA-N 0 0 415.450 2.126 20 5 HEBDRN O=C(COC(=O)c1cn(Cc2ccccn2)nn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000745580177 1078552154 /nfs/dbraw/zinc/55/21/54/1078552154.db2.gz QAIARARGPYMWKW-UHFFFAOYSA-N 0 0 416.781 2.079 20 5 HEBDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000769745242 1078557111 /nfs/dbraw/zinc/55/71/11/1078557111.db2.gz LMTWEDMRSFPYBN-LLVKDONJSA-N 0 0 407.379 2.496 20 5 HEBDRN COc1ccc(CN(C)C(=O)COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000745618618 1078561923 /nfs/dbraw/zinc/56/19/23/1078561923.db2.gz PEHURXJIJIWSLF-UHFFFAOYSA-N 0 0 419.409 2.381 20 5 HEBDRN O=C(CNC(=O)c1cc2ccccc2[nH]1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745642271 1078571696 /nfs/dbraw/zinc/57/16/96/1078571696.db2.gz CHSICUDHNZKOAG-SFHVURJKSA-N 0 0 422.397 2.155 20 5 HEBDRN O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769836008 1078598203 /nfs/dbraw/zinc/59/82/03/1078598203.db2.gz YFXUXXPLDJXIHU-MRVPVSSYSA-N 0 0 412.118 2.072 20 5 HEBDRN C[C@@H]1CC[C@H](CCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000745707430 1078612537 /nfs/dbraw/zinc/61/25/37/1078612537.db2.gz CJCUMXSMRZBPOE-CRAIPNDOSA-N 0 0 405.451 2.134 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000769894813 1078617294 /nfs/dbraw/zinc/61/72/94/1078617294.db2.gz FMXAACBEQADSKP-SNVBAGLBSA-N 0 0 401.828 2.133 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000769905439 1078626537 /nfs/dbraw/zinc/62/65/37/1078626537.db2.gz JRNWZMKGUKGNBM-AWEZNQCLSA-N 0 0 415.880 2.480 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000769899762 1078623340 /nfs/dbraw/zinc/62/33/40/1078623340.db2.gz KUFIGSBXTBIYNQ-RYUDHWBXSA-N 0 0 403.888 2.482 20 5 HEBDRN COc1ccc(OC)c2c1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]2O ZINC000745760167 1078627525 /nfs/dbraw/zinc/62/75/25/1078627525.db2.gz MYRUCXZNHVTPQD-HNNXBMFYSA-N 0 0 406.366 2.206 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000745760799 1078627945 /nfs/dbraw/zinc/62/79/45/1078627945.db2.gz WBOZJIHFJVBWGC-GOSISDBHSA-N 0 0 403.410 2.302 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000769908355 1078629579 /nfs/dbraw/zinc/62/95/79/1078629579.db2.gz VTVZURUQKKAUGK-UHFFFAOYSA-N 0 0 403.888 2.042 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000769908301 1078630108 /nfs/dbraw/zinc/63/01/08/1078630108.db2.gz VGGUGGGBHTUWFA-CQSZACIVSA-N 0 0 417.915 2.432 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000769893019 1078647098 /nfs/dbraw/zinc/64/70/98/1078647098.db2.gz NBKISQKKHBBTFL-UHFFFAOYSA-N 0 0 424.866 2.098 20 5 HEBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1nccn2cnnc12 ZINC000770011889 1078667889 /nfs/dbraw/zinc/66/78/89/1078667889.db2.gz VVLDEEINGRJLPD-LLVKDONJSA-N 0 0 416.829 2.429 20 5 HEBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000745852932 1078671690 /nfs/dbraw/zinc/67/16/90/1078671690.db2.gz DCRFRXPCYFMUQB-NSHDSACASA-N 0 0 411.411 2.362 20 5 HEBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770001015 1078680752 /nfs/dbraw/zinc/68/07/52/1078680752.db2.gz MRCBZIKTKLIEIM-WCQYABFASA-N 0 0 403.888 2.474 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745939055 1078693237 /nfs/dbraw/zinc/69/32/37/1078693237.db2.gz DQFPUQJGWDJUKD-ZDUSSCGKSA-N 0 0 415.468 2.233 20 5 HEBDRN O=C(NC1CCC(O)(c2cccnc2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000770048461 1078704000 /nfs/dbraw/zinc/70/40/00/1078704000.db2.gz GNQIGCSWVUKYIC-UHFFFAOYSA-N 0 0 408.418 2.131 20 5 HEBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCC(O)(c2cccnc2)CC1 ZINC000770049707 1078704390 /nfs/dbraw/zinc/70/43/90/1078704390.db2.gz JXIUUQIGVOIDKH-UHFFFAOYSA-N 0 0 412.446 2.056 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@H](C)CC2(C)OCCO2)c([N+](=O)[O-])c1 ZINC000745972816 1078714927 /nfs/dbraw/zinc/71/49/27/1078714927.db2.gz IZMWKQMSZJVDOZ-OLZOCXBDSA-N 0 0 409.439 2.087 20 5 HEBDRN 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O=C(NCc1ccc2c(c1)COC2)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000770654076 1078940260 /nfs/dbraw/zinc/94/02/60/1078940260.db2.gz DIIXIOLBANKYSS-UHFFFAOYSA-N 0 0 401.331 2.234 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000770721422 1078948766 /nfs/dbraw/zinc/94/87/66/1078948766.db2.gz NZIQHXUZMNVPHB-KWCYVHTRSA-N 0 0 406.439 2.461 20 5 HEBDRN O=C(NC[C@H]1COC2(CCOCC2)O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000770702656 1078971227 /nfs/dbraw/zinc/97/12/27/1078971227.db2.gz AGYDEODEIRIWBW-QMMMGPOBSA-N 0 0 407.242 2.071 20 5 HEBDRN COc1ccc(NC(=O)CN2CCN(C3=NCC(C)(C)S3)CC2)c([N+](=O)[O-])c1 ZINC000746461260 1079012698 /nfs/dbraw/zinc/01/26/98/1079012698.db2.gz XBNGDCNNBGSFEG-UHFFFAOYSA-N 0 0 407.496 2.041 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccnc(-n3ccnc3)c2)c2ncccc12 ZINC000766484019 1079035413 /nfs/dbraw/zinc/03/54/13/1079035413.db2.gz HFKDBVPTGVWKNQ-UHFFFAOYSA-N 0 0 410.415 2.202 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)c2ncccc12 ZINC000766506084 1079037333 /nfs/dbraw/zinc/03/73/33/1079037333.db2.gz KZGNTEMZLWSXOK-CQSZACIVSA-N 0 0 409.370 2.433 20 5 HEBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000766503165 1079044450 /nfs/dbraw/zinc/04/44/50/1079044450.db2.gz UJOIWWXLBYTBTA-UHFFFAOYSA-N 0 0 418.387 2.409 20 5 HEBDRN CCOC(=O)c1ccc(NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)c(O)c1 ZINC000770861123 1079043576 /nfs/dbraw/zinc/04/35/76/1079043576.db2.gz HFFGATCYPKGOJU-UHFFFAOYSA-N 0 0 418.358 2.316 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)O[C@H](C)c3ncc(C)o3)cc2[N+](=O)[O-])CC1 ZINC000770920425 1079081287 /nfs/dbraw/zinc/08/12/87/1079081287.db2.gz UPELPRMIQOROCF-CYBMUJFWSA-N 0 0 402.407 2.478 20 5 HEBDRN CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC001168956459 1079090733 /nfs/dbraw/zinc/09/07/33/1079090733.db2.gz YJXAQTSXZDQJLQ-HUUCEWRRSA-N 0 0 411.480 2.116 20 5 HEBDRN CCO[C@H]1C[C@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C12CCOCC2 ZINC000770981093 1079093843 /nfs/dbraw/zinc/09/38/43/1079093843.db2.gz XEJYAXROGCKMDP-IRXDYDNUSA-N 0 0 402.407 2.307 20 5 HEBDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000766559979 1079094175 /nfs/dbraw/zinc/09/41/75/1079094175.db2.gz OFLUVTIBHPMQMV-LLVKDONJSA-N 0 0 407.242 2.074 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000766569183 1079104229 /nfs/dbraw/zinc/10/42/29/1079104229.db2.gz FTZSJLBHTNZMPI-UHFFFAOYSA-N 0 0 400.296 2.196 20 5 HEBDRN COC(=O)c1cc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])c(C(=O)OC)s1 ZINC000766564649 1079101291 /nfs/dbraw/zinc/10/12/91/1079101291.db2.gz QSGVMXKEWFHXAF-UHFFFAOYSA-N 0 0 419.364 2.136 20 5 HEBDRN CCOC(=O)[C@H](Nc1c(C)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169043656 1079109778 /nfs/dbraw/zinc/10/97/78/1079109778.db2.gz JZJMDUGDIFUGKN-MSOLQXFVSA-N 0 0 422.459 2.384 20 5 HEBDRN 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XUBFBHRYTOHCOL-UONOGXRCSA-N 0 0 404.350 2.478 20 5 HEBDRN CC1(C)CN=C(N2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)S1 ZINC000740716515 1076216265 /nfs/dbraw/zinc/21/62/65/1076216265.db2.gz FHEXMYNXODQZCZ-UHFFFAOYSA-N 0 0 414.491 2.420 20 5 HEBDRN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740790676 1076238708 /nfs/dbraw/zinc/23/87/08/1076238708.db2.gz OCRRASXVKWYQFR-KRXBUXKQSA-N 0 0 409.398 2.321 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000740790661 1076238741 /nfs/dbraw/zinc/23/87/41/1076238741.db2.gz NMBLRPVXJYEUSU-UHFFFAOYSA-N 0 0 402.338 2.240 20 5 HEBDRN O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740791351 1076239123 /nfs/dbraw/zinc/23/91/23/1076239123.db2.gz YTHBMNSNHBURIJ-LJQANCHMSA-N 0 0 408.414 2.397 20 5 HEBDRN CCOC(=O)c1ccnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1[N+](=O)[O-] ZINC000737395304 1076244248 /nfs/dbraw/zinc/24/42/48/1076244248.db2.gz CPTGWRYFYNRRNO-ZDUSSCGKSA-N 0 0 403.391 2.237 20 5 HEBDRN C[C@@H](CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C[C@H](C)O ZINC000740843745 1076265346 /nfs/dbraw/zinc/26/53/46/1076265346.db2.gz YKMASNGYMKLXNO-KGLIPLIRSA-N 0 0 422.459 2.499 20 5 HEBDRN C[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740855557 1076268777 /nfs/dbraw/zinc/26/87/77/1076268777.db2.gz FOPGYYRCRKHDDN-OCCSQVGLSA-N 0 0 418.450 2.383 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000740870513 1076275840 /nfs/dbraw/zinc/27/58/40/1076275840.db2.gz XJIQJCQYSMGXLZ-SMDDNHRTSA-N 0 0 407.448 2.483 20 5 HEBDRN CC(C)CCn1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nn1 ZINC000740988908 1076320289 /nfs/dbraw/zinc/32/02/89/1076320289.db2.gz STKKHVLCTYFYKC-UHFFFAOYSA-N 0 0 403.395 2.387 20 5 HEBDRN CCOc1ccc(F)c(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1N ZINC000741039905 1076335754 /nfs/dbraw/zinc/33/57/54/1076335754.db2.gz VRFGNCKIKBTMNS-UHFFFAOYSA-N 0 0 403.366 2.461 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000741022724 1076339892 /nfs/dbraw/zinc/33/98/92/1076339892.db2.gz WTQSIUOHMSZCCS-NJSLBKSFSA-N 0 0 423.466 2.219 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000741022722 1076339942 /nfs/dbraw/zinc/33/99/42/1076339942.db2.gz WTQSIUOHMSZCCS-KSMMKXTCSA-N 0 0 423.466 2.219 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000741026860 1076341920 /nfs/dbraw/zinc/34/19/20/1076341920.db2.gz OWUPHNFUZZGANC-CLCXKQKWSA-N 0 0 407.467 2.235 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000741026052 1076342560 /nfs/dbraw/zinc/34/25/60/1076342560.db2.gz IXACPJOZVXPCJG-SNUQEOBHSA-N 0 0 411.430 2.349 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000737413783 1076353615 /nfs/dbraw/zinc/35/36/15/1076353615.db2.gz KTOYJQVAEDNRES-SSDOTTSWSA-N 0 0 403.189 2.307 20 5 HEBDRN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741173611 1076394377 /nfs/dbraw/zinc/39/43/77/1076394377.db2.gz RBAIFAJIIDUXGT-OAQYLSRUSA-N 0 0 410.474 2.144 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCO1 ZINC000741223173 1076404654 /nfs/dbraw/zinc/40/46/54/1076404654.db2.gz JDEXHXBEIUMPRR-GOSISDBHSA-N 0 0 405.451 2.235 20 5 HEBDRN CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000741243573 1076433597 /nfs/dbraw/zinc/43/35/97/1076433597.db2.gz QNMCYYBRDBTPHX-HUUCEWRRSA-N 0 0 420.434 2.347 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]2CCO[C@H]21 ZINC000741259908 1076447465 /nfs/dbraw/zinc/44/74/65/1076447465.db2.gz QTUJPMRFAMETQH-ZWKOPEQDSA-N 0 0 405.270 2.449 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741260944 1076447498 /nfs/dbraw/zinc/44/74/98/1076447498.db2.gz WXJAVDRAQLJCFM-CYBMUJFWSA-N 0 0 415.468 2.185 20 5 HEBDRN CC(C)N(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766268583 1076468279 /nfs/dbraw/zinc/46/82/79/1076468279.db2.gz IKPADWFBNNEYMA-UHFFFAOYSA-N 0 0 420.510 2.296 20 5 HEBDRN CN(CC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 ZINC000741439944 1076529704 /nfs/dbraw/zinc/52/97/04/1076529704.db2.gz LDRGNEAZVIHASZ-UHFFFAOYSA-N 0 0 423.834 2.372 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000766271306 1076557159 /nfs/dbraw/zinc/55/71/59/1076557159.db2.gz TZWVEYKODKTCEU-FZMZJTMJSA-N 0 0 401.510 2.333 20 5 HEBDRN Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000741629795 1076571849 /nfs/dbraw/zinc/57/18/49/1076571849.db2.gz RNXYSYAFBBFDJH-GFCCVEGCSA-N 0 0 408.256 2.490 20 5 HEBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000741747056 1076607104 /nfs/dbraw/zinc/60/71/04/1076607104.db2.gz MUTLJRXQYQHOIL-IAGOWNOFSA-N 0 0 404.511 2.368 20 5 HEBDRN NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Br)cc1F ZINC000741822177 1076644314 /nfs/dbraw/zinc/64/43/14/1076644314.db2.gz VPUBDUAEUHKREA-CYBMUJFWSA-N 0 0 412.171 2.462 20 5 HEBDRN COc1ccc(OCCOC(=O)c2ccc(CS(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000741824618 1076645243 /nfs/dbraw/zinc/64/52/43/1076645243.db2.gz CRANODXKOYNWRU-UHFFFAOYSA-N 0 0 409.416 2.384 20 5 HEBDRN CS(=O)(=O)Cc1nc(COC(=O)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000741826136 1076646724 /nfs/dbraw/zinc/64/67/24/1076646724.db2.gz AGKSQKVJNKSBIR-UHFFFAOYSA-N 0 0 402.475 2.431 20 5 HEBDRN O=C(OCCCn1nc2ccccn2c1=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741937744 1076682005 /nfs/dbraw/zinc/68/20/05/1076682005.db2.gz SQTYWHLDFUEUET-UHFFFAOYSA-N 0 0 421.207 2.414 20 5 HEBDRN Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742016130 1076708785 /nfs/dbraw/zinc/70/87/85/1076708785.db2.gz BLOFUBSSWLFWPK-INIZCTEOSA-N 0 0 424.457 2.414 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000742052821 1076719367 /nfs/dbraw/zinc/71/93/67/1076719367.db2.gz XXRBXNLKNFIENR-UHFFFAOYSA-N 0 0 420.466 2.055 20 5 HEBDRN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742073123 1076735374 /nfs/dbraw/zinc/73/53/74/1076735374.db2.gz SMPWNLWMDSZVAH-CQSZACIVSA-N 0 0 414.418 2.251 20 5 HEBDRN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C(=O)OC(C)(C)C ZINC000742082575 1076738130 /nfs/dbraw/zinc/73/81/30/1076738130.db2.gz SIEPNNDYRJEJNF-LBPRGKRZSA-N 0 0 407.423 2.447 20 5 HEBDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150229 1076767023 /nfs/dbraw/zinc/76/70/23/1076767023.db2.gz SBBHUVISIZNRSH-AWEZNQCLSA-N 0 0 411.414 2.460 20 5 HEBDRN C[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000742160198 1076772266 /nfs/dbraw/zinc/77/22/66/1076772266.db2.gz XNJKLNXPCWEPEN-JTQLQIEISA-N 0 0 404.265 2.453 20 5 HEBDRN C[C@H](CC(N)=O)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000742182436 1076773864 /nfs/dbraw/zinc/77/38/64/1076773864.db2.gz IMAAXHIWKKMYKO-SNVBAGLBSA-N 0 0 404.810 2.494 20 5 HEBDRN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000742186567 1076776368 /nfs/dbraw/zinc/77/63/68/1076776368.db2.gz NNBOTBWNLPNLLF-UKRRQHHQSA-N 0 0 402.519 2.089 20 5 HEBDRN CCOc1cc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c([N+](=O)[O-])cc1OC ZINC000742193053 1076782336 /nfs/dbraw/zinc/78/23/36/1076782336.db2.gz NRWJCYUOMQGLTF-GFCCVEGCSA-N 0 0 408.480 2.251 20 5 HEBDRN CCOc1cc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c([N+](=O)[O-])cc1OC ZINC000742193054 1076782361 /nfs/dbraw/zinc/78/23/61/1076782361.db2.gz NRWJCYUOMQGLTF-LBPRGKRZSA-N 0 0 408.480 2.251 20 5 HEBDRN COC(=O)c1ccc(OS(=O)(=O)c2cccnc2[N+](=O)[O-])c(Br)c1 ZINC000742274016 1076807575 /nfs/dbraw/zinc/80/75/75/1076807575.db2.gz WXMKVVVXGFFECQ-UHFFFAOYSA-N 0 0 417.193 2.307 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cnn(-c3ccccn3)c2C)c1 ZINC000742277422 1076808871 /nfs/dbraw/zinc/80/88/71/1076808871.db2.gz PCQGLPLDKIILHD-UHFFFAOYSA-N 0 0 418.387 2.038 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N(CCO)Cc1cccnc1 ZINC000742254243 1076810278 /nfs/dbraw/zinc/81/02/78/1076810278.db2.gz FVUDCBXRHIDPIB-UHFFFAOYSA-N 0 0 405.354 2.282 20 5 HEBDRN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000742287410 1076817065 /nfs/dbraw/zinc/81/70/65/1076817065.db2.gz FPLHMYZAAZGUMU-QWHCGFSZSA-N 0 0 414.484 2.304 20 5 HEBDRN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000742297591 1076821658 /nfs/dbraw/zinc/82/16/58/1076821658.db2.gz VIABMPKHBWSXOO-VXGBXAGGSA-N 0 0 400.457 2.008 20 5 HEBDRN COCCOC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742299803 1076822376 /nfs/dbraw/zinc/82/23/76/1076822376.db2.gz NHZFNRGWINGHHE-UHFFFAOYSA-N 0 0 423.285 2.173 20 5 HEBDRN C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000742311158 1076827174 /nfs/dbraw/zinc/82/71/74/1076827174.db2.gz LAQYXYSCVJBRAA-NSHDSACASA-N 0 0 403.432 2.364 20 5 HEBDRN O=C1NC2(CCCC2)C(=O)N1CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742390099 1076833350 /nfs/dbraw/zinc/83/33/50/1076833350.db2.gz SBVFJXVRWBKTPU-UHFFFAOYSA-N 0 0 417.422 2.218 20 5 HEBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000742391628 1076833502 /nfs/dbraw/zinc/83/35/02/1076833502.db2.gz QGCRGSBBGRACOU-UHFFFAOYSA-N 0 0 414.378 2.181 20 5 HEBDRN Cc1noc(-c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc2)n1 ZINC000742393117 1076833526 /nfs/dbraw/zinc/83/35/26/1076833526.db2.gz ZKLYDFBQJBZOGB-UHFFFAOYSA-N 0 0 400.420 2.372 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000742413941 1076835917 /nfs/dbraw/zinc/83/59/17/1076835917.db2.gz OYNIKAWOXQTBAN-NSHDSACASA-N 0 0 404.383 2.104 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000742413840 1076836074 /nfs/dbraw/zinc/83/60/74/1076836074.db2.gz KWYGMASLYGMXDQ-VXGBXAGGSA-N 0 0 404.383 2.079 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NCC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000742427793 1076837631 /nfs/dbraw/zinc/83/76/31/1076837631.db2.gz PKQRBCHGGTUFSZ-SCLBCKFNSA-N 0 0 401.419 2.422 20 5 HEBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000742404991 1076838064 /nfs/dbraw/zinc/83/80/64/1076838064.db2.gz AEYZGAFDKUFICK-UHFFFAOYSA-N 0 0 417.459 2.161 20 5 HEBDRN Cc1ccc([C@H](C)C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)o1 ZINC000742489191 1076844076 /nfs/dbraw/zinc/84/40/76/1076844076.db2.gz OQLAYRHHVPCIFS-AWEZNQCLSA-N 0 0 421.475 2.352 20 5 HEBDRN CN(CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[N+](=O)[O-] ZINC000742686596 1076866886 /nfs/dbraw/zinc/86/68/86/1076866886.db2.gz AQMLDHNVYPWFMT-ZDUSSCGKSA-N 0 0 400.395 2.047 20 5 HEBDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000742735683 1076872296 /nfs/dbraw/zinc/87/22/96/1076872296.db2.gz LKWZEWSKUSZDEH-CYBMUJFWSA-N 0 0 419.438 2.184 20 5 HEBDRN Cc1ccc(OC[C@H](C)NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000742822571 1076883155 /nfs/dbraw/zinc/88/31/55/1076883155.db2.gz KVWYEQLHAQEFPC-HNNXBMFYSA-N 0 0 421.475 2.155 20 5 HEBDRN Cc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)n1 ZINC000742849580 1076886767 /nfs/dbraw/zinc/88/67/67/1076886767.db2.gz PZCZAZJRQNJFNJ-UHFFFAOYSA-N 0 0 406.424 2.324 20 5 HEBDRN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742872421 1076890478 /nfs/dbraw/zinc/89/04/78/1076890478.db2.gz DZNPAIXDMNVBTK-UHFFFAOYSA-N 0 0 402.407 2.107 20 5 HEBDRN COC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1C(=O)OC ZINC000742916394 1076897067 /nfs/dbraw/zinc/89/70/67/1076897067.db2.gz CIWNPPPZOBBHGF-UHFFFAOYSA-N 0 0 406.322 2.325 20 5 HEBDRN COc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000742947883 1076899622 /nfs/dbraw/zinc/89/96/22/1076899622.db2.gz YFJNIKOWQNPOGT-UHFFFAOYSA-N 0 0 415.358 2.390 20 5 HEBDRN O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])NCc1ccc(N2CCCC2=O)cc1 ZINC000743200175 1077004452 /nfs/dbraw/zinc/00/44/52/1077004452.db2.gz XYTZHSFMXGRGSR-UHFFFAOYSA-N 0 0 415.377 2.334 20 5 HEBDRN Cc1cc([C@@](C)(O)CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000743510699 1077065094 /nfs/dbraw/zinc/06/50/94/1077065094.db2.gz MWQAAJSEQJGYGQ-SFHVURJKSA-N 0 0 409.826 2.212 20 5 HEBDRN COC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000737507151 1077066120 /nfs/dbraw/zinc/06/61/20/1077066120.db2.gz AWQCBBGIZFDLSU-UHFFFAOYSA-N 0 0 422.419 2.032 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@](C)(O)c2ccco2)ccc1[N+](=O)[O-] ZINC000743652683 1077082127 /nfs/dbraw/zinc/08/21/27/1077082127.db2.gz AKKLMLFMDRMOHO-UZLBHIALSA-N 0 0 401.419 2.125 20 5 HEBDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000743799935 1077122818 /nfs/dbraw/zinc/12/28/18/1077122818.db2.gz HFQCRFPDYSYGLO-JTQLQIEISA-N 0 0 418.381 2.250 20 5 HEBDRN CN(CC(=O)O[C@H]1CCOc2cc(F)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000766303648 1077166041 /nfs/dbraw/zinc/16/60/41/1077166041.db2.gz ZSPXOSAXTKSBPT-INIZCTEOSA-N 0 0 424.406 2.421 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000743887296 1077179166 /nfs/dbraw/zinc/17/91/66/1077179166.db2.gz WIBHXKDDNJUPHB-UHFFFAOYSA-N 0 0 420.344 2.230 20 5 HEBDRN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000743938288 1077230053 /nfs/dbraw/zinc/23/00/53/1077230053.db2.gz HPKPLQLCQKVSOZ-ZDUSSCGKSA-N 0 0 406.439 2.310 20 5 HEBDRN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000743953658 1077260905 /nfs/dbraw/zinc/26/09/05/1077260905.db2.gz DVXYWELILNVXPJ-XHDPSFHLSA-N 0 0 416.821 2.497 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000743952820 1077260929 /nfs/dbraw/zinc/26/09/29/1077260929.db2.gz LTKVGXBRGJBMJD-UHFFFAOYSA-N 0 0 414.809 2.126 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000744148350 1077331234 /nfs/dbraw/zinc/33/12/34/1077331234.db2.gz BYLCEPZSJQZBFM-BAQGIRSFSA-N 0 0 400.347 2.270 20 5 HEBDRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000744243718 1077348538 /nfs/dbraw/zinc/34/85/38/1077348538.db2.gz KHMPHNPZXXBOPZ-UHFFFAOYSA-N 0 0 403.258 2.302 20 5 HEBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCCN1CCCc2ccccc21 ZINC000744250234 1077349687 /nfs/dbraw/zinc/34/96/87/1077349687.db2.gz DFMJJQIECPQPFP-UHFFFAOYSA-N 0 0 412.446 2.390 20 5 HEBDRN Cc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000737518762 1077368841 /nfs/dbraw/zinc/36/88/41/1077368841.db2.gz CZQXHACJGREFFJ-HNNXBMFYSA-N 0 0 421.475 2.107 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000744380513 1077376282 /nfs/dbraw/zinc/37/62/82/1077376282.db2.gz XQVLLDPJQJNDJD-HNNXBMFYSA-N 0 0 420.422 2.055 20 5 HEBDRN NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1Br ZINC000744463298 1077393737 /nfs/dbraw/zinc/39/37/37/1077393737.db2.gz HDZJQTKTLYGTSF-UHFFFAOYSA-N 0 0 406.239 2.319 20 5 HEBDRN Cc1cn(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000744445271 1077397324 /nfs/dbraw/zinc/39/73/24/1077397324.db2.gz UQXWZZQJUHLGFO-SWLSCSKDSA-N 0 0 400.357 2.465 20 5 HEBDRN Cc1ncc(COC(=O)CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000744479910 1077411003 /nfs/dbraw/zinc/41/10/03/1077411003.db2.gz DDGQQENVBOFNAY-UHFFFAOYSA-N 0 0 419.868 2.425 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1 ZINC000744511425 1077428571 /nfs/dbraw/zinc/42/85/71/1077428571.db2.gz AWXLFXVUWADHCE-UHFFFAOYSA-N 0 0 406.303 2.476 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000744566069 1077451308 /nfs/dbraw/zinc/45/13/08/1077451308.db2.gz VTDZHBRLRSWRQL-NWANDNLSSA-N 0 0 420.418 2.089 20 5 HEBDRN CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000744554255 1077465614 /nfs/dbraw/zinc/46/56/14/1077465614.db2.gz NWPXGDZCMJCXGX-ZDUSSCGKSA-N 0 0 406.439 2.365 20 5 HEBDRN CCNS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000744554302 1077465666 /nfs/dbraw/zinc/46/56/66/1077465666.db2.gz FHZVIPBJJNJRAJ-UHFFFAOYSA-N 0 0 424.431 2.137 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000744619717 1077506145 /nfs/dbraw/zinc/50/61/45/1077506145.db2.gz ZXGKFVDJYWVIFD-LBPRGKRZSA-N 0 0 404.448 2.458 20 5 HEBDRN CN(CC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccccc1[N+](=O)[O-] ZINC000744604657 1077513948 /nfs/dbraw/zinc/51/39/48/1077513948.db2.gz XCQMAYHVXJZWIJ-UHFFFAOYSA-N 0 0 420.473 2.450 20 5 HEBDRN COc1ccc(OCCOC(=O)CN2c3ccccc3O[C@@H](C)C2=O)c([N+](=O)[O-])c1 ZINC000744629927 1077525471 /nfs/dbraw/zinc/52/54/71/1077525471.db2.gz KNNHKYJWRIPRHA-ZDUSSCGKSA-N 0 0 416.386 2.340 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000744664078 1077531419 /nfs/dbraw/zinc/53/14/19/1077531419.db2.gz YZEGJWCOMZTUCP-GFCCVEGCSA-N 0 0 424.454 2.212 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1nnc(-c2ccc(Br)o2)o1 ZINC000744664746 1077532207 /nfs/dbraw/zinc/53/22/07/1077532207.db2.gz UOIQQUUXNNPJHR-UHFFFAOYSA-N 0 0 412.156 2.249 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)C(C)C ZINC000744652016 1077538925 /nfs/dbraw/zinc/53/89/25/1077538925.db2.gz SOVVUCRUJROLEZ-DNVCBOLYSA-N 0 0 416.434 2.308 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCCN1c1ncccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744693114 1077545223 /nfs/dbraw/zinc/54/52/23/1077545223.db2.gz VVHWSMYHQUOUJO-DOMZBBRYSA-N 0 0 417.397 2.453 20 5 HEBDRN CS(=O)(=O)Cc1nc(COC(=O)CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000744816448 1077587328 /nfs/dbraw/zinc/58/73/28/1077587328.db2.gz NOHWMNQEGKYNOC-UHFFFAOYSA-N 0 0 400.434 2.108 20 5 HEBDRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744817757 1077589276 /nfs/dbraw/zinc/58/92/76/1077589276.db2.gz LFNZAJVCNYPFEU-SWLSCSKDSA-N 0 0 407.423 2.265 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)CNc2ccccc2[N+](=O)[O-])C1=O ZINC000744852487 1077620849 /nfs/dbraw/zinc/62/08/49/1077620849.db2.gz PQIHWJOHLQEZMV-AWEZNQCLSA-N 0 0 419.415 2.204 20 5 HEBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000744870618 1077629095 /nfs/dbraw/zinc/62/90/95/1077629095.db2.gz YDGBZBZEEPKITI-XHDPSFHLSA-N 0 0 422.825 2.488 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000744870559 1077629168 /nfs/dbraw/zinc/62/91/68/1077629168.db2.gz XAEMMMZSWIKOQP-NHYWBVRUSA-N 0 0 422.825 2.406 20 5 HEBDRN CCCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744898908 1077642299 /nfs/dbraw/zinc/64/22/99/1077642299.db2.gz MBGUUPNMYPIHAC-WFASDCNBSA-N 0 0 407.423 2.265 20 5 HEBDRN 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1C ZINC000766852561 1079437794 /nfs/dbraw/zinc/43/77/94/1079437794.db2.gz ZXUTUPQKBUZAQR-NVXWUHKLSA-N 0 0 408.480 2.222 20 5 HEBDRN Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766852246 1079438130 /nfs/dbraw/zinc/43/81/30/1079438130.db2.gz XIVCPDFWOVXXCM-DZGCQCFKSA-N 0 0 414.871 2.259 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766851901 1079438777 /nfs/dbraw/zinc/43/87/77/1079438777.db2.gz WOZSZIOVXRNFJR-NVXWUHKLSA-N 0 0 408.480 2.222 20 5 HEBDRN O=C1[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000766850526 1079450112 /nfs/dbraw/zinc/45/01/12/1079450112.db2.gz LXYDKRPMKDCBCS-SFHVURJKSA-N 0 0 417.487 2.248 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2C)c1OC ZINC000771728586 1079466695 /nfs/dbraw/zinc/46/66/95/1079466695.db2.gz CRLWQQNVDSWFPT-UHFFFAOYSA-N 0 0 411.388 2.475 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc([N+](=O)[O-])c1F ZINC000771732556 1079469754 /nfs/dbraw/zinc/46/97/54/1079469754.db2.gz ZTGXEFMKNWHVRO-GOSISDBHSA-N 0 0 423.466 2.394 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771732851 1079469823 /nfs/dbraw/zinc/46/98/23/1079469823.db2.gz NVAAIBXXRCJFHZ-UHFFFAOYSA-N 0 0 401.460 2.310 20 5 HEBDRN C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000771739712 1079474299 /nfs/dbraw/zinc/47/42/99/1079474299.db2.gz RSGVEMYERNYAIL-BTDLBPIBSA-N 0 0 409.801 2.355 20 5 HEBDRN CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771742340 1079474646 /nfs/dbraw/zinc/47/46/46/1079474646.db2.gz IGYQZVFLFFATBM-CYBMUJFWSA-N 0 0 405.473 2.022 20 5 HEBDRN O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4cnc(OCC(F)F)cn4)no3)c2c1 ZINC000771747416 1079478277 /nfs/dbraw/zinc/47/82/77/1079478277.db2.gz FUXISZUJSAQHGQ-UHFFFAOYSA-N 0 0 403.305 2.477 20 5 HEBDRN COc1cc(Cc2noc(Cn3cc([N+](=O)[O-])nc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000771749046 1079479285 /nfs/dbraw/zinc/47/92/85/1079479285.db2.gz UJAWKAJDVVTQFB-UHFFFAOYSA-N 0 0 404.339 2.047 20 5 HEBDRN Cc1nc(CN2CCN(S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2)oc1C ZINC000771749817 1079480359 /nfs/dbraw/zinc/48/03/59/1079480359.db2.gz CGMGNKANJQWXSH-UHFFFAOYSA-N 0 0 412.443 2.154 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCNc2nccc(C(F)(F)F)n2)cc([N+](=O)[O-])c1F ZINC000771758508 1079488460 /nfs/dbraw/zinc/48/84/60/1079488460.db2.gz MYHAGKXUMUNCFV-UHFFFAOYSA-N 0 0 423.348 2.242 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CN1C(=O)c2ccccc2C1=O ZINC000766227823 1075920235 /nfs/dbraw/zinc/92/02/35/1075920235.db2.gz DHAYPWYYLLMOLN-UHFFFAOYSA-N 0 0 419.349 2.165 20 5 HEBDRN C[C@H]1COCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC000737725678 1075925148 /nfs/dbraw/zinc/92/51/48/1075925148.db2.gz ZQIFXIIQURFBHT-ZDUSSCGKSA-N 0 0 419.459 2.476 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@@H]1c1noc(C)n1 ZINC000737882291 1075938111 /nfs/dbraw/zinc/93/81/11/1075938111.db2.gz ISEKVRLFUVBVQR-CYBMUJFWSA-N 0 0 404.379 2.240 20 5 HEBDRN CCOC(=O)c1cccc([N+](=O)[O-])c1Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001169960410 1079494976 /nfs/dbraw/zinc/49/49/76/1079494976.db2.gz QWNGZHKMVYGMBW-UHFFFAOYSA-N 0 0 410.386 2.365 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000738343914 1075996285 /nfs/dbraw/zinc/99/62/85/1075996285.db2.gz RZILGKKOXYRPGC-UHFFFAOYSA-N 0 0 418.885 2.197 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)OCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000738613572 1076009225 /nfs/dbraw/zinc/00/92/25/1076009225.db2.gz ANGWRXUKMJBBBB-UHFFFAOYSA-N 0 0 424.387 2.451 20 5 HEBDRN CC[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000738678145 1076015588 /nfs/dbraw/zinc/01/55/88/1076015588.db2.gz OXMBEYSFACUUMG-QGZVFWFLSA-N 0 0 420.443 2.420 20 5 HEBDRN C[C@H](OC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000738699408 1076017134 /nfs/dbraw/zinc/01/71/34/1076017134.db2.gz RPJUSNQUEMQQHA-NSHDSACASA-N 0 0 416.365 2.448 20 5 HEBDRN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000739159492 1076051022 /nfs/dbraw/zinc/05/10/22/1076051022.db2.gz FOYFZBUANUJOSY-LBPRGKRZSA-N 0 0 423.403 2.428 20 5 HEBDRN O=C(OCCn1cnc2ccsc2c1=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739355976 1076059010 /nfs/dbraw/zinc/05/90/10/1076059010.db2.gz WGEQHQXCPXKLIQ-UHFFFAOYSA-N 0 0 411.399 2.409 20 5 HEBDRN C[C@H]1NC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)C1=O ZINC000739746259 1076080070 /nfs/dbraw/zinc/08/00/70/1076080070.db2.gz PONLNDPMISVRBX-OAHLLOKOSA-N 0 0 409.446 2.372 20 5 HEBDRN COc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000740158614 1076114331 /nfs/dbraw/zinc/11/43/31/1076114331.db2.gz WPQMCNCCZAXHGD-CQSZACIVSA-N 0 0 408.794 2.491 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000766247259 1076145852 /nfs/dbraw/zinc/14/58/52/1076145852.db2.gz GAHTUCQBGPNQPP-ZDUSSCGKSA-N 0 0 406.439 2.276 20 5 HEBDRN O=C(NCCOC(=O)c1ccnc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000740541868 1076189345 /nfs/dbraw/zinc/18/93/45/1076189345.db2.gz LRBHGKBTOPPRGP-UHFFFAOYSA-N 0 0 415.793 2.416 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000766255996 1076226884 /nfs/dbraw/zinc/22/68/84/1076226884.db2.gz CVBJFXOISDKVQA-UHFFFAOYSA-N 0 0 412.402 2.423 20 5 HEBDRN Cc1ccc([C@](O)(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000740753790 1076235269 /nfs/dbraw/zinc/23/52/69/1076235269.db2.gz TVTWMVQFRKDULL-MRXNPFEDSA-N 0 0 416.308 2.479 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@@H](O)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000740870394 1076275754 /nfs/dbraw/zinc/27/57/54/1076275754.db2.gz APPMQFAQJKESSG-QLJPJBMISA-N 0 0 423.372 2.310 20 5 HEBDRN Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000740871932 1076276676 /nfs/dbraw/zinc/27/66/76/1076276676.db2.gz WBASIRXDQQERRZ-UHFFFAOYSA-N 0 0 409.420 2.344 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740886409 1076284844 /nfs/dbraw/zinc/28/48/44/1076284844.db2.gz REHNROIEHIZCNT-LJQANCHMSA-N 0 0 415.446 2.103 20 5 HEBDRN COC(=O)c1cc(OS(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000740892397 1076292995 /nfs/dbraw/zinc/29/29/95/1076292995.db2.gz PLXHNNNANJXXSB-UHFFFAOYSA-N 0 0 422.371 2.106 20 5 HEBDRN Cc1c(C(=O)OCCOC2CCCCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000740983037 1076318448 /nfs/dbraw/zinc/31/84/48/1076318448.db2.gz PJLUMXWYQFKSBU-UHFFFAOYSA-N 0 0 400.453 2.447 20 5 HEBDRN Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000741114672 1076364141 /nfs/dbraw/zinc/36/41/41/1076364141.db2.gz DFAHJZCLTGBQMS-HNNXBMFYSA-N 0 0 403.439 2.148 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000741257027 1076445601 /nfs/dbraw/zinc/44/56/01/1076445601.db2.gz ZBAZLIUHSOISBU-GFCCVEGCSA-N 0 0 403.432 2.316 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741261388 1076448350 /nfs/dbraw/zinc/44/83/50/1076448350.db2.gz ZOYZCYIJRLXAMY-CYBMUJFWSA-N 0 0 415.468 2.185 20 5 HEBDRN O=C(COC(=O)c1cccc(CN2CCOCC2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741337957 1076482384 /nfs/dbraw/zinc/48/23/84/1076482384.db2.gz ILRCBFQGNQYYJE-UHFFFAOYSA-N 0 0 417.393 2.362 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741360305 1076485188 /nfs/dbraw/zinc/48/51/88/1076485188.db2.gz WHIFHDUVORKWRT-HNNXBMFYSA-N 0 0 420.466 2.463 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384701 1076508382 /nfs/dbraw/zinc/50/83/82/1076508382.db2.gz DPPZJUSISUTBJC-BEFAXECRSA-N 0 0 413.430 2.366 20 5 HEBDRN O=C(COC(=O)c1cc(N2CCOC2=O)ccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000741556285 1076546108 /nfs/dbraw/zinc/54/61/08/1076546108.db2.gz ZXIZCRCTSKXZBX-UHFFFAOYSA-N 0 0 403.322 2.486 20 5 HEBDRN O=C(c1cc(N2CCOC2=O)ccc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000741697828 1076595689 /nfs/dbraw/zinc/59/56/89/1076595689.db2.gz TZNOEEWKPXIKPS-LBPRGKRZSA-N 0 0 415.381 2.412 20 5 HEBDRN Cc1nn(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000741740662 1076602270 /nfs/dbraw/zinc/60/22/70/1076602270.db2.gz PDIAOGKYMRCHSD-QGZVFWFLSA-N 0 0 418.475 2.369 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cn2)C[C@@H](C)O1 ZINC000741741305 1076603007 /nfs/dbraw/zinc/60/30/07/1076603007.db2.gz WNQDVJWKMXQBNZ-VXGBXAGGSA-N 0 0 421.841 2.333 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3nccc(OC)n3)CC2)cc1Cl ZINC000741750989 1076619097 /nfs/dbraw/zinc/61/90/97/1076619097.db2.gz OBJWOOGFVVSLRC-UHFFFAOYSA-N 0 0 407.814 2.160 20 5 HEBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1cccc(I)c1 ZINC000741754809 1076620690 /nfs/dbraw/zinc/62/06/90/1076620690.db2.gz WPHSWNAMVKRHBE-UHFFFAOYSA-N 0 0 406.157 2.362 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741776731 1076623880 /nfs/dbraw/zinc/62/38/80/1076623880.db2.gz PKUZQASBRMMPOR-HNNXBMFYSA-N 0 0 416.459 2.440 20 5 HEBDRN O=C(c1ccnc(OC(F)F)c1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129326024 1076653232 /nfs/dbraw/zinc/65/32/32/1076653232.db2.gz GHEDUPADJGWMDE-UHFFFAOYSA-N 0 0 406.345 2.189 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000742023142 1076720965 /nfs/dbraw/zinc/72/09/65/1076720965.db2.gz ZHBNXBQWHNHYST-OAHLLOKOSA-N 0 0 422.441 2.284 20 5 HEBDRN CCC1N=NC(=S)N1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000742191117 1076779607 /nfs/dbraw/zinc/77/96/07/1076779607.db2.gz QPPZFFAAJMURKG-UHFFFAOYSA-N 0 0 404.496 2.458 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)S1 ZINC000742192641 1076781388 /nfs/dbraw/zinc/78/13/88/1076781388.db2.gz FMSXFBQLCUXKLD-CQSZACIVSA-N 0 0 403.508 2.444 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000742250172 1076806611 /nfs/dbraw/zinc/80/66/11/1076806611.db2.gz JALJAQZWDSMQHK-AWEZNQCLSA-N 0 0 404.427 2.099 20 5 HEBDRN CN(C)S(=O)(=O)c1ccccc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742257434 1076810415 /nfs/dbraw/zinc/81/04/15/1076810415.db2.gz XPEPJIMCYIUYLP-UHFFFAOYSA-N 0 0 420.447 2.414 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCOC[C@H]2C(F)(F)F)c1 ZINC000742301311 1076811966 /nfs/dbraw/zinc/81/19/66/1076811966.db2.gz OJPUZORBNLTCNI-JTQLQIEISA-N 0 0 419.175 2.309 20 5 HEBDRN CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742307003 1076813537 /nfs/dbraw/zinc/81/35/37/1076813537.db2.gz YUNNSAQTJBLSAQ-WCQYABFASA-N 0 0 410.901 2.225 20 5 HEBDRN CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742281925 1076814986 /nfs/dbraw/zinc/81/49/86/1076814986.db2.gz HPKSKMGQWQYDMZ-UHFFFAOYSA-N 0 0 421.269 2.464 20 5 HEBDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742283432 1076815591 /nfs/dbraw/zinc/81/55/91/1076815591.db2.gz BGGHZMAINDWZKE-GFCCVEGCSA-N 0 0 400.457 2.058 20 5 HEBDRN CC(C)N(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742292976 1076819140 /nfs/dbraw/zinc/81/91/40/1076819140.db2.gz FFXYWLAPNKEQLJ-UHFFFAOYSA-N 0 0 406.464 2.430 20 5 HEBDRN COCCOC[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000742338938 1076826310 /nfs/dbraw/zinc/82/63/10/1076826310.db2.gz YPWZIYYGSUBIAT-NSHDSACASA-N 0 0 423.285 2.031 20 5 HEBDRN O=C1NCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000742339185 1076826422 /nfs/dbraw/zinc/82/64/22/1076826422.db2.gz MZFWDHOYDDRMJL-CYBMUJFWSA-N 0 0 401.853 2.172 20 5 HEBDRN COc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000742389533 1076833388 /nfs/dbraw/zinc/83/33/88/1076833388.db2.gz JCXQXCUYZFJHCT-UHFFFAOYSA-N 0 0 422.419 2.023 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000742409712 1076835372 /nfs/dbraw/zinc/83/53/72/1076835372.db2.gz OZBBRDHVYPYBEL-UHFFFAOYSA-N 0 0 422.482 2.143 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)S1 ZINC000742415054 1076836078 /nfs/dbraw/zinc/83/60/78/1076836078.db2.gz LYUYTZOJBMXPCC-SNVBAGLBSA-N 0 0 420.463 2.204 20 5 HEBDRN CCO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cs1 ZINC000742421210 1076836628 /nfs/dbraw/zinc/83/66/28/1076836628.db2.gz KNDOBTQLPQNCEB-SNVBAGLBSA-N 0 0 400.482 2.433 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NCC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000742427794 1076837622 /nfs/dbraw/zinc/83/76/22/1076837622.db2.gz PKQRBCHGGTUFSZ-UGSOOPFHSA-N 0 0 401.419 2.422 20 5 HEBDRN CN(CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000742537423 1076847457 /nfs/dbraw/zinc/84/74/57/1076847457.db2.gz XSFAUXYXPASGHK-UHFFFAOYSA-N 0 0 417.853 2.259 20 5 HEBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000742782683 1076877814 /nfs/dbraw/zinc/87/78/14/1076877814.db2.gz FTIYSEOCRWCLFD-LLVKDONJSA-N 0 0 400.391 2.111 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Oc1ccc(NC(C)=O)cc1F ZINC000742835404 1076885438 /nfs/dbraw/zinc/88/54/38/1076885438.db2.gz DVVMAYJECYHADJ-UHFFFAOYSA-N 0 0 406.322 2.498 20 5 HEBDRN CC(=O)Nc1ccc(OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(F)c1 ZINC000742833625 1076887754 /nfs/dbraw/zinc/88/77/54/1076887754.db2.gz PBQIQCOVXBVOIS-UHFFFAOYSA-N 0 0 407.379 2.489 20 5 HEBDRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000742863623 1076889755 /nfs/dbraw/zinc/88/97/55/1076889755.db2.gz GDBYTLXCCSDCQV-UHFFFAOYSA-N 0 0 414.823 2.149 20 5 HEBDRN O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000742895742 1076893622 /nfs/dbraw/zinc/89/36/22/1076893622.db2.gz KXTNNOWLIVTOLX-FHLIZLRMSA-N 0 0 410.386 2.390 20 5 HEBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1C(=O)OC ZINC000742917257 1076897308 /nfs/dbraw/zinc/89/73/08/1076897308.db2.gz XTUOCOWHPIMNFI-UHFFFAOYSA-N 0 0 401.375 2.486 20 5 HEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000742951672 1076899822 /nfs/dbraw/zinc/89/98/22/1076899822.db2.gz BRWCXWKJPMXLET-UHFFFAOYSA-N 0 0 401.828 2.262 20 5 HEBDRN O=C(OCCc1nnnn1-c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000743121700 1076964885 /nfs/dbraw/zinc/96/48/85/1076964885.db2.gz DOSCNSRTSJAIDD-UHFFFAOYSA-N 0 0 405.374 2.156 20 5 HEBDRN CN(c1ccc(C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1)S(C)(=O)=O ZINC000743205321 1076996629 /nfs/dbraw/zinc/99/66/29/1076996629.db2.gz MGUZXFNWVCJVNL-UHFFFAOYSA-N 0 0 410.379 2.169 20 5 HEBDRN Cc1cn(CN2CCNC(=O)[C@@H]2c2cccs2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743381834 1077037089 /nfs/dbraw/zinc/03/70/89/1077037089.db2.gz CJTIYZRKSDVEPI-KRWDZBQOSA-N 0 0 413.459 2.048 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743393075 1077040354 /nfs/dbraw/zinc/04/03/54/1077040354.db2.gz ZLVVMDDTEULUKX-UHFFFAOYSA-N 0 0 403.464 2.121 20 5 HEBDRN CCc1nsc(N2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)n1 ZINC000743394656 1077041495 /nfs/dbraw/zinc/04/14/95/1077041495.db2.gz ASYYAQYKLHGSFX-UHFFFAOYSA-N 0 0 400.468 2.047 20 5 HEBDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000743447364 1077051335 /nfs/dbraw/zinc/05/13/35/1077051335.db2.gz NNBGYDNQYPKTNY-VIFPVBQESA-N 0 0 421.859 2.309 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cccc(Cl)n1 ZINC000743452571 1077051941 /nfs/dbraw/zinc/05/19/41/1077051941.db2.gz RDPUOCIHQFOUMP-UHFFFAOYSA-N 0 0 413.839 2.243 20 5 HEBDRN Nn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1[C@@H]1CCCCO1 ZINC000743461033 1077055709 /nfs/dbraw/zinc/05/57/09/1077055709.db2.gz VOEBWPQUCRATMC-LBPRGKRZSA-N 0 0 403.424 2.484 20 5 HEBDRN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743609218 1077075359 /nfs/dbraw/zinc/07/53/59/1077075359.db2.gz QVZUTKWYYMSFJD-UHFFFAOYSA-N 0 0 413.496 2.361 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)cc1[N+](=O)[O-] ZINC000743634391 1077083934 /nfs/dbraw/zinc/08/39/34/1077083934.db2.gz WJIPKWDRUXMJNX-UHFFFAOYSA-N 0 0 416.365 2.435 20 5 HEBDRN C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccco1 ZINC000743653968 1077087894 /nfs/dbraw/zinc/08/78/94/1077087894.db2.gz LDXAFJMXVYWTTP-AWEZNQCLSA-N 0 0 416.171 2.430 20 5 HEBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000743880535 1077162845 /nfs/dbraw/zinc/16/28/45/1077162845.db2.gz VRGQGCPGJNHRNJ-UHFFFAOYSA-N 0 0 400.439 2.463 20 5 HEBDRN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000743925515 1077249287 /nfs/dbraw/zinc/24/92/87/1077249287.db2.gz GXGRVBBHGWYKOS-UHFFFAOYSA-N 0 0 418.837 2.247 20 5 HEBDRN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743952162 1077260508 /nfs/dbraw/zinc/26/05/08/1077260508.db2.gz FVHHVGAPIXXDGV-HNNXBMFYSA-N 0 0 412.446 2.117 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000743952870 1077261029 /nfs/dbraw/zinc/26/10/29/1077261029.db2.gz MSAQPXXQZPJTFV-UHFFFAOYSA-N 0 0 424.316 2.402 20 5 HEBDRN COC(=O)N(C)c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743954083 1077262577 /nfs/dbraw/zinc/26/25/77/1077262577.db2.gz YNYOYTVBAQKHQR-UHFFFAOYSA-N 0 0 400.391 2.095 20 5 HEBDRN Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000743955299 1077263533 /nfs/dbraw/zinc/26/35/33/1077263533.db2.gz JLPJSDAZIKYLRO-KRWDZBQOSA-N 0 0 410.430 2.462 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)[C@H]3CCCN(C(N)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000744200383 1077339085 /nfs/dbraw/zinc/33/90/85/1077339085.db2.gz DPVYLAPMTOARGK-AWEZNQCLSA-N 0 0 420.466 2.296 20 5 HEBDRN O=C(OCCN1C(=O)c2ccncc2C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000744219353 1077343054 /nfs/dbraw/zinc/34/30/54/1077343054.db2.gz CGTYTFZIDYBFHT-UHFFFAOYSA-N 0 0 409.276 2.462 20 5 HEBDRN CCOc1ccc(C[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)OC)cc1 ZINC000744348322 1077367877 /nfs/dbraw/zinc/36/78/77/1077367877.db2.gz CENAFMCDEHHNPB-OAHLLOKOSA-N 0 0 401.419 2.337 20 5 HEBDRN COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CCOCC1 ZINC000744382047 1077376269 /nfs/dbraw/zinc/37/62/69/1077376269.db2.gz PAJSAXTTZJVUAD-UHFFFAOYSA-N 0 0 409.395 2.304 20 5 HEBDRN O=C1[C@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406307 1077382133 /nfs/dbraw/zinc/38/21/33/1077382133.db2.gz BNAKMTARHAVUKD-CXAGYDPISA-N 0 0 412.406 2.190 20 5 HEBDRN CN(Cc1ccccc1[N+](=O)[O-])CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744430676 1077391610 /nfs/dbraw/zinc/39/16/10/1077391610.db2.gz GZCMVWKJNRCTJB-UHFFFAOYSA-N 0 0 404.467 2.454 20 5 HEBDRN Cn1ccc(N2CCC[C@H](OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2=O)n1 ZINC000744491001 1077401720 /nfs/dbraw/zinc/40/17/20/1077401720.db2.gz HUOKWNOSMDGKGI-KRWDZBQOSA-N 0 0 413.434 2.281 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000744469896 1077406121 /nfs/dbraw/zinc/40/61/21/1077406121.db2.gz SKDRNTXSSGDUGU-CQSZACIVSA-N 0 0 404.400 2.334 20 5 HEBDRN CC(=O)c1ccc(O)c(CCOC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000744471844 1077407417 /nfs/dbraw/zinc/40/74/17/1077407417.db2.gz JKEATJWBPJBVBB-UHFFFAOYSA-N 0 0 400.387 2.409 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000744477140 1077409543 /nfs/dbraw/zinc/40/95/43/1077409543.db2.gz IFWNZOAKSLDUGL-AWEZNQCLSA-N 0 0 420.399 2.170 20 5 HEBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000744622415 1077520305 /nfs/dbraw/zinc/52/03/05/1077520305.db2.gz AKNANNBINKWXTM-UHFFFAOYSA-N 0 0 411.462 2.123 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000744624063 1077521395 /nfs/dbraw/zinc/52/13/95/1077521395.db2.gz BRZPNHUVBIBBLA-LBPRGKRZSA-N 0 0 401.423 2.046 20 5 HEBDRN COc1ccc(OCCOC(=O)c2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 ZINC000744631694 1077526672 /nfs/dbraw/zinc/52/66/72/1077526672.db2.gz TVOQIKUOWMOCBL-UHFFFAOYSA-N 0 0 403.391 2.071 20 5 HEBDRN CCc1cnc(COC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744666034 1077532770 /nfs/dbraw/zinc/53/27/70/1077532770.db2.gz DZPDWXDPUQSQMB-INIZCTEOSA-N 0 0 423.447 2.432 20 5 HEBDRN Cc1cnc(COC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744667747 1077533883 /nfs/dbraw/zinc/53/38/83/1077533883.db2.gz ZWWVYMCSOQWHLC-OAHLLOKOSA-N 0 0 409.420 2.178 20 5 HEBDRN Cc1nnc([C@H](C)OC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744667729 1077534362 /nfs/dbraw/zinc/53/43/62/1077534362.db2.gz ZCXJNOOGGWBRQL-XHDPSFHLSA-N 0 0 424.435 2.134 20 5 HEBDRN CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744670281 1077534907 /nfs/dbraw/zinc/53/49/07/1077534907.db2.gz IAEKQFGQTHJCIG-CQSZACIVSA-N 0 0 407.423 2.254 20 5 HEBDRN COc1ccc(OCCOC(=O)Cn2c(C)nc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000744682683 1077542333 /nfs/dbraw/zinc/54/23/33/1077542333.db2.gz OEIBKFCFFXFKNB-UHFFFAOYSA-N 0 0 413.386 2.244 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000744693729 1077546054 /nfs/dbraw/zinc/54/60/54/1077546054.db2.gz HVWVMRFIWQCDCZ-CQSZACIVSA-N 0 0 420.399 2.170 20 5 HEBDRN C[C@H](OC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744717846 1077553237 /nfs/dbraw/zinc/55/32/37/1077553237.db2.gz BIIFRDDSMXXDCP-JTQLQIEISA-N 0 0 416.781 2.408 20 5 HEBDRN C[C@H](OC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744720990 1077555009 /nfs/dbraw/zinc/55/50/09/1077555009.db2.gz USCXYPRPPABWCG-JTQLQIEISA-N 0 0 416.781 2.408 20 5 HEBDRN CC(C)c1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnc2ncnn21 ZINC000744781284 1077581652 /nfs/dbraw/zinc/58/16/52/1077581652.db2.gz RRHNXXZGEHVDOS-JTQLQIEISA-N 0 0 416.369 2.479 20 5 HEBDRN CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744898906 1077642338 /nfs/dbraw/zinc/64/23/38/1077642338.db2.gz MBGUUPNMYPIHAC-SWLSCSKDSA-N 0 0 407.423 2.265 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000744926882 1077655021 /nfs/dbraw/zinc/65/50/21/1077655021.db2.gz CVHHSRDWBKIHMS-RDTXWAMCSA-N 0 0 417.462 2.498 20 5 HEBDRN CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744927804 1077655445 /nfs/dbraw/zinc/65/54/45/1077655445.db2.gz OIQXUHQOZVXBTA-ZQIUZPCESA-N 0 0 405.451 2.354 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000744928069 1077655886 /nfs/dbraw/zinc/65/58/86/1077655886.db2.gz RMYANHAYVZWHCV-BBRMVZONSA-N 0 0 405.451 2.354 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000744928097 1077655942 /nfs/dbraw/zinc/65/59/42/1077655942.db2.gz RTWZSBXLSMEEHN-WMLDXEAASA-N 0 0 405.451 2.212 20 5 HEBDRN C[C@H](OC(=O)C1(O)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000744959007 1077678068 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O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2O1 ZINC000785675626 1080155426 /nfs/dbraw/zinc/15/54/26/1080155426.db2.gz JLXXSJDUNDITFK-MRXNPFEDSA-N 0 0 422.397 2.057 20 5 HEBDRN COc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1 ZINC000742394112 1080201123 /nfs/dbraw/zinc/20/11/23/1080201123.db2.gz IEXJJOBJEMSSBY-UHFFFAOYSA-N 0 0 400.391 2.402 20 5 HEBDRN COc1cccc(C[C@H](O)C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000785706645 1080215733 /nfs/dbraw/zinc/21/57/33/1080215733.db2.gz YYSHRQSUQWOQPG-INIZCTEOSA-N 0 0 408.794 2.342 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785709334 1080217103 /nfs/dbraw/zinc/21/71/03/1080217103.db2.gz BYYFUDWNDNLOLM-IAGOWNOFSA-N 0 0 404.419 2.088 20 5 HEBDRN COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 ZINC000767944785 1080237180 /nfs/dbraw/zinc/23/71/80/1080237180.db2.gz YEXCNRUYNRBGMW-HNNXBMFYSA-N 0 0 413.430 2.174 20 5 HEBDRN 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Cc1ccc(N2CCC[C@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1Br ZINC000786575065 1080700399 /nfs/dbraw/zinc/70/03/99/1080700399.db2.gz IKTFHAVHBRLIOB-LLVKDONJSA-N 0 0 406.302 2.431 20 5 HEBDRN Cc1c(Br)cc(C(=O)O[C@@H](C)CN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000786616487 1080712379 /nfs/dbraw/zinc/71/23/79/1080712379.db2.gz WGWJBPIYBUQZDP-QMMMGPOBSA-N 0 0 409.258 2.102 20 5 HEBDRN O=C(OCCc1cn(-c2ccc(F)cc2)nn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000786620906 1080714955 /nfs/dbraw/zinc/71/49/55/1080714955.db2.gz HMJSQKKOPXZGTQ-UHFFFAOYSA-N 0 0 414.349 2.485 20 5 HEBDRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C2=O ZINC000768710773 1080727198 /nfs/dbraw/zinc/72/71/98/1080727198.db2.gz VSMYXPODBVOXCM-HXUWFJFHSA-N 0 0 417.418 2.212 20 5 HEBDRN C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000746597252 1080737729 /nfs/dbraw/zinc/73/77/29/1080737729.db2.gz YDKSAKKQZRASPX-SECBINFHSA-N 0 0 411.758 2.313 20 5 HEBDRN C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000746597076 1080738439 /nfs/dbraw/zinc/73/84/39/1080738439.db2.gz VYZODSOAYQXVCI-QMMMGPOBSA-N 0 0 402.194 2.454 20 5 HEBDRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000768680916 1080742737 /nfs/dbraw/zinc/74/27/37/1080742737.db2.gz MYXLMOKFBHIACF-UHFFFAOYSA-N 0 0 402.334 2.267 20 5 HEBDRN Cc1nccn1-c1ncccc1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000786714538 1080768774 /nfs/dbraw/zinc/76/87/74/1080768774.db2.gz UJNLFWNIOAIUKK-UHFFFAOYSA-N 0 0 408.418 2.457 20 5 HEBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000768759271 1080776809 /nfs/dbraw/zinc/77/68/09/1080776809.db2.gz JVSSIOHIENSFJX-UHFFFAOYSA-N 0 0 409.402 2.125 20 5 HEBDRN Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768802786 1080780838 /nfs/dbraw/zinc/78/08/38/1080780838.db2.gz DYXFPIYJWGWWDN-INIZCTEOSA-N 0 0 411.505 2.317 20 5 HEBDRN CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 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HVBIJDDNKGXSHY-UHFFFAOYSA-N 0 0 401.419 2.444 20 5 HEBDRN COc1cc(CN(C)C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)ccc1O ZINC000769280467 1081030034 /nfs/dbraw/zinc/03/00/34/1081030034.db2.gz KRDRJSTUVGZFOV-UHFFFAOYSA-N 0 0 404.375 2.168 20 5 HEBDRN Cc1cc(=O)c(C(=O)Oc2ccc3c(c2)CN(C)C3=O)nn1-c1ccccc1[N+](=O)[O-] ZINC000769296086 1081032401 /nfs/dbraw/zinc/03/24/01/1081032401.db2.gz REQOZMZASHDJOR-UHFFFAOYSA-N 0 0 420.381 2.254 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)c(Br)c1 ZINC000746656113 1081042437 /nfs/dbraw/zinc/04/24/37/1081042437.db2.gz YNTXONHPPYCBMX-UHFFFAOYSA-N 0 0 421.269 2.131 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC000787180502 1081047445 /nfs/dbraw/zinc/04/74/45/1081047445.db2.gz QVBKCJPDYPLKCM-MEDUHNTESA-N 0 0 407.423 2.169 20 5 HEBDRN CC[C@H](C)N(OC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000769447341 1081082661 /nfs/dbraw/zinc/08/26/61/1081082661.db2.gz OKVYKOMVKKNCMD-AWEZNQCLSA-N 0 0 413.496 2.492 20 5 HEBDRN COC(=O)c1ccncc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746668588 1081104773 /nfs/dbraw/zinc/10/47/73/1081104773.db2.gz KIBIHICWUDSZIX-UHFFFAOYSA-N 0 0 417.193 2.307 20 5 HEBDRN C[C@@H]1NC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=NN(c2ccccc2)C1=O ZINC000769599837 1081122063 /nfs/dbraw/zinc/12/20/63/1081122063.db2.gz OYGYPWFMAYXESO-AWEZNQCLSA-N 0 0 407.430 2.424 20 5 HEBDRN CCCn1c(=O)cc(Nc2nc(SC)nc(OC)c2[N+](=O)[O-])n(CCC)c1=O ZINC001170007402 1081129836 /nfs/dbraw/zinc/12/98/36/1081129836.db2.gz NVGOQOAVNQMSHS-UHFFFAOYSA-N 0 0 410.456 2.002 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000769580899 1081134861 /nfs/dbraw/zinc/13/48/61/1081134861.db2.gz UQDFEYQHQQKDOR-UHFFFAOYSA-N 0 0 424.413 2.305 20 5 HEBDRN COc1cccc(C(=O)O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000769605777 1081167331 /nfs/dbraw/zinc/16/73/31/1081167331.db2.gz TXGBUSNQXFMPOF-QWHCGFSZSA-N 0 0 416.386 2.105 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700457 719851185 /nfs/dbraw/zinc/85/11/85/719851185.db2.gz HKWJWWFETZITEW-QVKFZJNVSA-N 0 0 414.462 2.376 20 5 HEBDRN COc1ncnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696188 719892242 /nfs/dbraw/zinc/89/22/42/719892242.db2.gz AZXGDMOICZVVMM-UHFFFAOYSA-N 0 0 405.480 2.326 20 5 HEBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3nnc(Cn4ccnc4)c3C2)c1 ZINC001164830972 720397559 /nfs/dbraw/zinc/39/75/59/720397559.db2.gz STXIWXVHPGWBLT-UHFFFAOYSA-N 0 0 424.799 2.435 20 5 HEBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cnc1Cl ZINC001164760991 721258615 /nfs/dbraw/zinc/25/86/15/721258615.db2.gz GVEMXRZPQXXTTC-OLZOCXBDSA-N 0 0 412.784 2.072 20 5 HEBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)nc1Cl ZINC001164760213 721260767 /nfs/dbraw/zinc/26/07/67/721260767.db2.gz DETDRHGZAHVMTF-RYUDHWBXSA-N 0 0 412.784 2.072 20 5 HEBDRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1 ZINC001164885378 721454781 /nfs/dbraw/zinc/45/47/81/721454781.db2.gz DJTMZXKONJIBIP-XBFCOCLRSA-N 0 0 416.812 2.451 20 5 HEBDRN Cn1ccc(CN2CCOCC23CCN(c2ncnc4cccc([N+](=O)[O-])c42)CC3)n1 ZINC001164935695 721909770 /nfs/dbraw/zinc/90/97/70/721909770.db2.gz NDRSFNXYNVNWFO-UHFFFAOYSA-N 0 0 423.477 2.143 20 5 HEBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CCOc2ccccc2)CC1 ZINC001165045531 721957906 /nfs/dbraw/zinc/95/79/06/721957906.db2.gz XCHFBMDJJOKDAI-UHFFFAOYSA-N 0 0 400.435 2.368 20 5 HEBDRN CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164948804 721981999 /nfs/dbraw/zinc/98/19/99/721981999.db2.gz LMYHNQJZTQEQPH-CABZTGNLSA-N 0 0 410.830 2.048 20 5 HEBDRN CS(=O)(=O)N1C[C@@H]2CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)[C@@H]2C1 ZINC001164949945 721983004 /nfs/dbraw/zinc/98/30/04/721983004.db2.gz RTHGGKMQEJLVAY-GXSJLCMTSA-N 0 0 410.830 2.048 20 5 HEBDRN CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164946403 721983087 /nfs/dbraw/zinc/98/30/87/721983087.db2.gz FBSHFMFBCNEPQG-CABZTGNLSA-N 0 0 410.830 2.048 20 5 HEBDRN COc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ncc1[N+](=O)[O-] ZINC001164986752 722174034 /nfs/dbraw/zinc/17/40/34/722174034.db2.gz LNRPLELBJHOUBK-GOEBONIOSA-N 0 0 420.495 2.028 20 5 HEBDRN C[C@]1(c2cccc(Br)c2)NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000769657802 1078494761 /nfs/dbraw/zinc/49/47/61/1078494761.db2.gz QIGRJLCVJFCODH-OAHLLOKOSA-N 0 0 408.212 2.021 20 5 HEBDRN O=C(COC(=O)[C@H](c1ccccc1F)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000745497342 1078512865 /nfs/dbraw/zinc/51/28/65/1078512865.db2.gz QUJLEVLBKUMORK-IBGZPJMESA-N 0 0 417.393 2.289 20 5 HEBDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000745538129 1078529380 /nfs/dbraw/zinc/52/93/80/1078529380.db2.gz ZNSFUFNVTLUCJR-ZSOIEALJSA-N 0 0 414.823 2.385 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1 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CCOC(=O)c1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc([N+](=O)[O-])c1 ZINC000771457888 1079332399 /nfs/dbraw/zinc/33/23/99/1079332399.db2.gz KDCWPEQYDNYUTI-UHFFFAOYSA-N 0 0 402.323 2.439 20 5 HEBDRN COc1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1OC ZINC000766760701 1079344091 /nfs/dbraw/zinc/34/40/91/1079344091.db2.gz ISTQVOFNFNTNLO-UHFFFAOYSA-N 0 0 400.343 2.485 20 5 HEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000771491456 1079357278 /nfs/dbraw/zinc/35/72/78/1079357278.db2.gz MKYWXOZLGKQKRM-NSHDSACASA-N 0 0 402.334 2.464 20 5 HEBDRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503756 1079364215 /nfs/dbraw/zinc/36/42/15/1079364215.db2.gz SMAFUKCLKIVPGV-UHFFFAOYSA-N 0 0 413.415 2.324 20 5 HEBDRN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000766783320 1079368296 /nfs/dbraw/zinc/36/82/96/1079368296.db2.gz JVCBQEXYYRRPQX-UHFFFAOYSA-N 0 0 404.759 2.019 20 5 HEBDRN 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QFKCICWEZFFCOA-UHFFFAOYSA-N 0 0 409.493 2.392 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cn2c(=O)sc3c2CCCC3)CC1 ZINC000740861342 1076270905 /nfs/dbraw/zinc/27/09/05/1076270905.db2.gz NCQUNFRBNKHRKY-UHFFFAOYSA-N 0 0 402.476 2.112 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000740870511 1076275684 /nfs/dbraw/zinc/27/56/84/1076275684.db2.gz XJIQJCQYSMGXLZ-FZMZJTMJSA-N 0 0 407.448 2.483 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@H](O)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000740870393 1076275737 /nfs/dbraw/zinc/27/57/37/1076275737.db2.gz APPMQFAQJKESSG-QFYYESIMSA-N 0 0 423.372 2.310 20 5 HEBDRN O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740918681 1076304733 /nfs/dbraw/zinc/30/47/33/1076304733.db2.gz NFFDLSCZSWJINH-UHFFFAOYSA-N 0 0 406.483 2.260 20 5 HEBDRN O=C(COC(=O)c1ccccc1SCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000740967098 1076314902 /nfs/dbraw/zinc/31/49/02/1076314902.db2.gz BBNUACWNFBFCCQ-UHFFFAOYSA-N 0 0 402.428 2.425 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741023450 1076340289 /nfs/dbraw/zinc/34/02/89/1076340289.db2.gz ZYVBQJPGDRGZJQ-QEEYODRMSA-N 0 0 419.478 2.161 20 5 HEBDRN CNC(=O)c1cc(C)ccc1NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC ZINC000741228446 1076423981 /nfs/dbraw/zinc/42/39/81/1076423981.db2.gz ATYFMYAFNCMAHE-UHFFFAOYSA-N 0 0 401.375 2.101 20 5 HEBDRN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CCO1 ZINC000741229191 1076424767 /nfs/dbraw/zinc/42/47/67/1076424767.db2.gz YNTMORPHZQDHOQ-CLCXKQKWSA-N 0 0 419.478 2.481 20 5 HEBDRN CNS(=O)(=O)c1ccc(NC[C@@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000741246946 1076434829 /nfs/dbraw/zinc/43/48/29/1076434829.db2.gz RVRDPZOWTGFELE-CQSZACIVSA-N 0 0 403.819 2.441 20 5 HEBDRN C[C@H](O)CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000741253252 1076444375 /nfs/dbraw/zinc/44/43/75/1076444375.db2.gz UCKQBLXNJJOWIS-SFHVURJKSA-N 0 0 412.490 2.126 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000741257029 1076445636 /nfs/dbraw/zinc/44/56/36/1076445636.db2.gz ZBAZLIUHSOISBU-LBPRGKRZSA-N 0 0 403.432 2.316 20 5 HEBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)c1ccc(C)o1 ZINC000741294737 1076462344 /nfs/dbraw/zinc/46/23/44/1076462344.db2.gz GBDLKQHCBBTDMR-JKSUJKDBSA-N 0 0 421.475 2.198 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCOC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000741324182 1076476252 /nfs/dbraw/zinc/47/62/52/1076476252.db2.gz UDEPOHGMHIIOIY-AEFFLSMTSA-N 0 0 406.435 2.247 20 5 HEBDRN Cc1nc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccn12 ZINC000741356537 1076495175 /nfs/dbraw/zinc/49/51/75/1076495175.db2.gz ZTILHOPBKIWRME-UHFFFAOYSA-N 0 0 423.429 2.057 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000741378066 1076504021 /nfs/dbraw/zinc/50/40/21/1076504021.db2.gz XPNIHNJGUPCVLW-CQSZACIVSA-N 0 0 420.466 2.205 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741384526 1076508778 /nfs/dbraw/zinc/50/87/78/1076508778.db2.gz PMQZRHMERDEVOZ-LJQANCHMSA-N 0 0 413.430 2.286 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000741594903 1076549237 /nfs/dbraw/zinc/54/92/37/1076549237.db2.gz QIABDZTUFCOKNM-UHFFFAOYSA-N 0 0 417.422 2.466 20 5 HEBDRN COC(=O)C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000741580140 1076552462 /nfs/dbraw/zinc/55/24/62/1076552462.db2.gz ZSVCPZAVCOUOMU-OAHLLOKOSA-N 0 0 411.414 2.408 20 5 HEBDRN COC(=O)C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000741582633 1076553147 /nfs/dbraw/zinc/55/31/47/1076553147.db2.gz PVSBZJHYKAITBP-CYBMUJFWSA-N 0 0 418.427 2.305 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741615425 1076555747 /nfs/dbraw/zinc/55/57/47/1076555747.db2.gz PWLSVQKBYCVBLQ-UHFFFAOYSA-N 0 0 411.393 2.337 20 5 HEBDRN CCCN1C(=S)N[C@H](c2cn(C)nn2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C ZINC000741646326 1076568593 /nfs/dbraw/zinc/56/85/93/1076568593.db2.gz AFNSLIFHIDAGLI-MRXNPFEDSA-N 0 0 415.479 2.277 20 5 HEBDRN COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c2ccccc21 ZINC000741656520 1076578824 /nfs/dbraw/zinc/57/88/24/1076578824.db2.gz XTNDRBAEQZXNQQ-LBPRGKRZSA-N 0 0 406.416 2.459 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000741746305 1076606034 /nfs/dbraw/zinc/60/60/34/1076606034.db2.gz CURFGSXRPSDOLX-UHFFFAOYSA-N 0 0 413.839 2.337 20 5 HEBDRN COc1ccc(Br)c(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1N ZINC000741747820 1076617549 /nfs/dbraw/zinc/61/75/49/1076617549.db2.gz KJVCLUBFUFVAMA-UHFFFAOYSA-N 0 0 424.207 2.404 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000741751351 1076618732 /nfs/dbraw/zinc/61/87/32/1076618732.db2.gz IOJKPACFKWSDKM-UHFFFAOYSA-N 0 0 411.842 2.110 20 5 HEBDRN CCCS(=O)(=O)NC1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000741751838 1076619574 /nfs/dbraw/zinc/61/95/74/1076619574.db2.gz RADLRRNBUIPAMT-UHFFFAOYSA-N 0 0 419.887 2.333 20 5 HEBDRN Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741755332 1076620378 /nfs/dbraw/zinc/62/03/78/1076620378.db2.gz CUPMJZWCDULPBF-GFCCVEGCSA-N 0 0 415.269 2.447 20 5 HEBDRN CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000741831834 1076650096 /nfs/dbraw/zinc/65/00/96/1076650096.db2.gz KOXIGRDEZXJHON-JTQLQIEISA-N 0 0 422.467 2.120 20 5 HEBDRN O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000741885980 1076659489 /nfs/dbraw/zinc/65/94/89/1076659489.db2.gz USRMRPPTRMIIRE-GOSISDBHSA-N 0 0 423.473 2.191 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000742007972 1076716024 /nfs/dbraw/zinc/71/60/24/1076716024.db2.gz BRYKMPJJRUYGJG-LJQANCHMSA-N 0 0 424.457 2.335 20 5 HEBDRN C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C(=O)OC(C)(C)C ZINC000742087160 1076741970 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CCOC(=O)c1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)s1 ZINC000742424435 1076837323 /nfs/dbraw/zinc/83/73/23/1076837323.db2.gz CSNOKMGLSJLJHO-UHFFFAOYSA-N 0 0 407.408 2.463 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCN(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000742425826 1076837348 /nfs/dbraw/zinc/83/73/48/1076837348.db2.gz IRENILHMPWWSNX-UHFFFAOYSA-N 0 0 418.475 2.203 20 5 HEBDRN Cc1ccc([C@H](C)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000742473748 1076842681 /nfs/dbraw/zinc/84/26/81/1076842681.db2.gz HPTYKFKCEBRIDM-AWEZNQCLSA-N 0 0 407.448 2.133 20 5 HEBDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742474639 1076842823 /nfs/dbraw/zinc/84/28/23/1076842823.db2.gz ZLCDCKNJBJTNAU-UHFFFAOYSA-N 0 0 412.450 2.332 20 5 HEBDRN C[C@@H](Sc1nnc(C2CCOCC2)n1N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000742456093 1076843359 /nfs/dbraw/zinc/84/33/59/1076843359.db2.gz AULJZJBDYYBVBO-SECBINFHSA-N 0 0 410.431 2.053 20 5 HEBDRN Cc1ccc([C@@H](C)C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)o1 ZINC000742489192 1076844093 /nfs/dbraw/zinc/84/40/93/1076844093.db2.gz OQLAYRHHVPCIFS-CQSZACIVSA-N 0 0 421.475 2.352 20 5 HEBDRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000742639991 1076860322 /nfs/dbraw/zinc/86/03/22/1076860322.db2.gz JFIVKPSDAGEIDQ-CYBMUJFWSA-N 0 0 404.496 2.337 20 5 HEBDRN CCCn1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000742721923 1076869920 /nfs/dbraw/zinc/86/99/20/1076869920.db2.gz ATOGCJMCUZNBKY-QGZVFWFLSA-N 0 0 421.479 2.383 20 5 HEBDRN CS[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000742748795 1076876534 /nfs/dbraw/zinc/87/65/34/1076876534.db2.gz IFQGUVXWRKXCRI-XPKDYRNWSA-N 0 0 413.521 2.148 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000742891685 1076892366 /nfs/dbraw/zinc/89/23/66/1076892366.db2.gz BCICEMRSFKWYFC-UHFFFAOYSA-N 0 0 420.491 2.020 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000742896823 1076894053 /nfs/dbraw/zinc/89/40/53/1076894053.db2.gz UNBZPABSANFIRC-OGWOLHLISA-N 0 0 413.405 2.386 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000742954944 1076903833 /nfs/dbraw/zinc/90/38/33/1076903833.db2.gz HVZHEYVEYRHIMH-KRWDZBQOSA-N 0 0 400.387 2.395 20 5 HEBDRN C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000743197326 1077003912 /nfs/dbraw/zinc/00/39/12/1077003912.db2.gz MNSQBIKHGMHAOI-CYBMUJFWSA-N 0 0 417.393 2.334 20 5 HEBDRN CCc1nsc(N2CCCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)n1 ZINC000743410235 1077048276 /nfs/dbraw/zinc/04/82/76/1077048276.db2.gz TVCNMZHKGYIYQH-UHFFFAOYSA-N 0 0 414.495 2.437 20 5 HEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000743421792 1077050314 /nfs/dbraw/zinc/05/03/14/1077050314.db2.gz STAACCSHRGTYNN-UHFFFAOYSA-N 0 0 400.366 2.116 20 5 HEBDRN C[C@@H](Sc1nnc([C@H]2CCCCO2)n1N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000743455527 1077052626 /nfs/dbraw/zinc/05/26/26/1077052626.db2.gz BEOQVIHKSLGBKG-NOZJJQNGSA-N 0 0 410.431 2.400 20 5 HEBDRN CCOc1ccc(NC(=O)CSc2nnc([C@@H]3CCCCO3)n2N)c([N+](=O)[O-])c1 ZINC000743455482 1077052880 /nfs/dbraw/zinc/05/28/80/1077052880.db2.gz MERIEPWONFMBSZ-AWEZNQCLSA-N 0 0 422.467 2.271 20 5 HEBDRN CN(CC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000743486216 1077059223 /nfs/dbraw/zinc/05/92/23/1077059223.db2.gz WZXXYAZGBFDAOA-INIZCTEOSA-N 0 0 421.837 2.305 20 5 HEBDRN COC(=O)C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000743821886 1077134733 /nfs/dbraw/zinc/13/47/33/1077134733.db2.gz XHALQKAYXCKOOV-INIZCTEOSA-N 0 0 419.821 2.399 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000743862718 1077185154 /nfs/dbraw/zinc/18/51/54/1077185154.db2.gz IKXNFDJHDKMRRL-UHFFFAOYSA-N 0 0 409.464 2.482 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000743956955 1077265824 /nfs/dbraw/zinc/26/58/24/1077265824.db2.gz POWQFWPOIYVZRD-QGZVFWFLSA-N 0 0 410.430 2.462 20 5 HEBDRN O=C(NCC[C@H](O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000743979857 1077293176 /nfs/dbraw/zinc/29/31/76/1077293176.db2.gz FLXSIPCHCJMJIT-AWEZNQCLSA-N 0 0 409.345 2.375 20 5 HEBDRN COc1ccc([C@H]2[C@@H](C(=O)OCCn3c(C)ncc3[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000744048505 1077307650 /nfs/dbraw/zinc/30/76/50/1077307650.db2.gz IWYAIFKNSDTPJL-LPHOPBHVSA-N 0 0 416.434 2.261 20 5 HEBDRN CCCNC(=O)CCCC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744034506 1077309803 /nfs/dbraw/zinc/30/98/03/1077309803.db2.gz DCHCCXKSZOMHGL-UHFFFAOYSA-N 0 0 405.860 2.092 20 5 HEBDRN CC(C)c1nn(C)c(Cl)c1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744147744 1077330673 /nfs/dbraw/zinc/33/06/73/1077330673.db2.gz GGSJCVMFKVWRBW-UHFFFAOYSA-N 0 0 409.830 2.473 20 5 HEBDRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744148906 1077331004 /nfs/dbraw/zinc/33/10/04/1077331004.db2.gz UFBMMTMLBHQCRV-ZDUSSCGKSA-N 0 0 424.413 2.164 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000744148599 1077331229 /nfs/dbraw/zinc/33/12/29/1077331229.db2.gz ICNOHICLISTEBE-UHFFFAOYSA-N 0 0 409.402 2.207 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c([N+](=O)[O-])c1 ZINC000744148834 1077331237 /nfs/dbraw/zinc/33/12/37/1077331237.db2.gz NVZHLBQNADUWSM-UHFFFAOYSA-N 0 0 413.365 2.492 20 5 HEBDRN Cc1c(OC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000737512841 1077352430 /nfs/dbraw/zinc/35/24/30/1077352430.db2.gz YTGWVTLFVWNSRW-UHFFFAOYSA-N 0 0 409.376 2.038 20 5 HEBDRN CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000744338815 1077369384 /nfs/dbraw/zinc/36/93/84/1077369384.db2.gz OZOVOAPSZGUSPK-UHFFFAOYSA-N 0 0 408.436 2.095 20 5 HEBDRN O=C1[C@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406310 1077382224 /nfs/dbraw/zinc/38/22/24/1077382224.db2.gz BNAKMTARHAVUKD-SUMWQHHRSA-N 0 0 412.406 2.190 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c([N+](=O)[O-])c1 ZINC000744511528 1077428638 /nfs/dbraw/zinc/42/86/38/1077428638.db2.gz XASOUPJDBRTOBV-IBGZPJMESA-N 0 0 416.386 2.340 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1OC ZINC000744520263 1077437100 /nfs/dbraw/zinc/43/71/00/1077437100.db2.gz GKCONFWQIZAHPX-CQSZACIVSA-N 0 0 418.406 2.088 20 5 HEBDRN O=C(OCc1nc(CC(F)(F)F)no1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000744553551 1077466257 /nfs/dbraw/zinc/46/62/57/1077466257.db2.gz CMYUMKYTQPGQPJ-UHFFFAOYSA-N 0 0 416.312 2.276 20 5 HEBDRN COc1ccc(OCCOC(=O)CCN2C(=O)COc3ccccc32)c([N+](=O)[O-])c1 ZINC000744588503 1077479323 /nfs/dbraw/zinc/47/93/23/1077479323.db2.gz XKVWGOAPJMZTJK-UHFFFAOYSA-N 0 0 416.386 2.341 20 5 HEBDRN CCOc1ccc(C(=O)OCc2csc(CS(C)(=O)=O)n2)cc1[N+](=O)[O-] ZINC000744576154 1077490628 /nfs/dbraw/zinc/49/06/28/1077490628.db2.gz NRDHCUFRILWUTO-UHFFFAOYSA-N 0 0 400.434 2.352 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000744664745 1077532297 /nfs/dbraw/zinc/53/22/97/1077532297.db2.gz UOEGKBGVIPBCGP-ZETCQYMHSA-N 0 0 402.194 2.372 20 5 HEBDRN O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000744695347 1077545966 /nfs/dbraw/zinc/54/59/66/1077545966.db2.gz YGLWPLJGMHNRLP-UHFFFAOYSA-N 0 0 400.343 2.356 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000744769913 1077576993 /nfs/dbraw/zinc/57/69/93/1077576993.db2.gz OQMVANCQWORFFD-NSHDSACASA-N 0 0 417.378 2.196 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O ZINC000744823620 1077608080 /nfs/dbraw/zinc/60/80/80/1077608080.db2.gz MVOSKMFROQGSMB-LBPRGKRZSA-N 0 0 423.378 2.127 20 5 HEBDRN COc1ccc(OCCOC(=O)CNC(=O)c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000744855891 1077624601 /nfs/dbraw/zinc/62/46/01/1077624601.db2.gz CNLRSAZRYJXUKD-UHFFFAOYSA-N 0 0 410.329 2.234 20 5 HEBDRN CC(=O)c1ccc(O)c(CCOC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000744866705 1077627945 /nfs/dbraw/zinc/62/79/45/1077627945.db2.gz OBRKXUWYHHWJKH-UHFFFAOYSA-N 0 0 407.400 2.306 20 5 HEBDRN CCCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000744896593 1077638686 /nfs/dbraw/zinc/63/86/86/1077638686.db2.gz FIUIERHGQDLJJB-WFASDCNBSA-N 0 0 407.423 2.265 20 5 HEBDRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000744924645 1077653433 /nfs/dbraw/zinc/65/34/33/1077653433.db2.gz NJTJJYJQXMGCSK-OLZOCXBDSA-N 0 0 404.423 2.344 20 5 HEBDRN COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1F ZINC000744925227 1077654380 /nfs/dbraw/zinc/65/43/80/1077654380.db2.gz UAXPNEGTCKAXIY-LBPRGKRZSA-N 0 0 422.413 2.264 20 5 HEBDRN CCN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744928811 1077656491 /nfs/dbraw/zinc/65/64/91/1077656491.db2.gz XTGHHGUASLWHFJ-YOEHRIQHSA-N 0 0 405.451 2.308 20 5 HEBDRN Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000744938602 1077680118 /nfs/dbraw/zinc/68/01/18/1077680118.db2.gz DVUSUJPAHGXTGQ-UHFFFAOYSA-N 0 0 418.406 2.193 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000744971289 1077685796 /nfs/dbraw/zinc/68/57/96/1077685796.db2.gz DIMMNNQZHAUXDM-CQSZACIVSA-N 0 0 412.464 2.473 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744977891 1077690760 /nfs/dbraw/zinc/69/07/60/1077690760.db2.gz ZQUAJHYDURCVRG-RISCZKNCSA-N 0 0 409.464 2.413 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000745014860 1077706190 /nfs/dbraw/zinc/70/61/90/1077706190.db2.gz XGXHFGWGCGEFST-INIZCTEOSA-N 0 0 410.448 2.050 20 5 HEBDRN CC(C)N(C(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000745026251 1077709128 /nfs/dbraw/zinc/70/91/28/1077709128.db2.gz BNWJNSXWIZUUFO-ZIAGYGMSSA-N 0 0 409.439 2.370 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1cccs1 ZINC000745027480 1077709677 /nfs/dbraw/zinc/70/96/77/1077709677.db2.gz HGOVNKWCAUMBLU-AAEUAGOBSA-N 0 0 421.431 2.102 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC1CCCC1 ZINC000745030396 1077710677 /nfs/dbraw/zinc/71/06/77/1077710677.db2.gz VGXPSGNDHPHLCR-AAEUAGOBSA-N 0 0 409.464 2.251 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)n1 ZINC000745074675 1077720434 /nfs/dbraw/zinc/72/04/34/1077720434.db2.gz VNQVHYFJUIQPLZ-CYBMUJFWSA-N 0 0 423.223 2.443 20 5 HEBDRN NC(=O)c1ccc(COC(=O)c2cc(N3CCOC3=O)ccc2F)c([N+](=O)[O-])c1 ZINC000745133348 1077747990 /nfs/dbraw/zinc/74/79/90/1077747990.db2.gz BVFJAKBLDOWQMR-UHFFFAOYSA-N 0 0 403.322 2.146 20 5 HEBDRN O=C(CCC(=O)N1CCN(c2ncccn2)CC1)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000766325473 1077765711 /nfs/dbraw/zinc/76/57/11/1077765711.db2.gz OMBGWXDXBSVRCH-UHFFFAOYSA-N 0 0 419.825 2.073 20 5 HEBDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000745209908 1077768730 /nfs/dbraw/zinc/76/87/30/1077768730.db2.gz GMWZYMZDVVCTTK-UHFFFAOYSA-N 0 0 418.427 2.483 20 5 HEBDRN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000745332369 1077804989 /nfs/dbraw/zinc/80/49/89/1077804989.db2.gz HKTRKPAEWZKTFN-BBRMVZONSA-N 0 0 400.387 2.025 20 5 HEBDRN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000745332243 1077805242 /nfs/dbraw/zinc/80/52/42/1077805242.db2.gz FFGVJFGGZFYAKB-AWEZNQCLSA-N 0 0 414.414 2.199 20 5 HEBDRN Cc1cccc(CN2CCN(C(=O)COC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000745333495 1077805302 /nfs/dbraw/zinc/80/53/02/1077805302.db2.gz MTVDNCZRDQHVMM-UHFFFAOYSA-N 0 0 411.458 2.333 20 5 HEBDRN O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000745334535 1077805467 /nfs/dbraw/zinc/80/54/67/1077805467.db2.gz IKOJXJRJONEHHC-UHFFFAOYSA-N 0 0 408.313 2.239 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000745389348 1077817083 /nfs/dbraw/zinc/81/70/83/1077817083.db2.gz LZCNLVRNRLJTAK-UHFFFAOYSA-N 0 0 415.358 2.180 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000771783610 1079505087 /nfs/dbraw/zinc/50/50/87/1079505087.db2.gz FBYOOHOWZPHCCU-OAHLLOKOSA-N 0 0 421.450 2.369 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc([N+](=O)[O-])c1F ZINC000771784783 1079505452 /nfs/dbraw/zinc/50/54/52/1079505452.db2.gz PVXOHEWCGUXDCU-LBPRGKRZSA-N 0 0 420.422 2.119 20 5 HEBDRN CCC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CCN1CCOC ZINC000771784897 1079505485 /nfs/dbraw/zinc/50/54/85/1079505485.db2.gz SAMIVRNKSQVXGJ-CQSZACIVSA-N 0 0 403.476 2.164 20 5 HEBDRN COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000771795135 1079511524 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C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000768079968 1080316290 /nfs/dbraw/zinc/31/62/90/1080316290.db2.gz KGWDXMLTGLDPJI-WYRIXSBYSA-N 0 0 415.377 2.239 20 5 HEBDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001626111261 1080327965 /nfs/dbraw/zinc/32/79/65/1080327965.db2.gz JMPJTSZYESZZBP-ZDUSSCGKSA-N 0 0 409.439 2.150 20 5 HEBDRN C[S@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000768106211 1080341970 /nfs/dbraw/zinc/34/19/70/1080341970.db2.gz OPDKFBIODTXPNS-ASHKIFAZSA-N 0 0 409.851 2.423 20 5 HEBDRN CO[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CC[C@@H]1C ZINC000785998369 1080357129 /nfs/dbraw/zinc/35/71/29/1080357129.db2.gz AMFGBXJGIDKUIE-LKFCYVNXSA-N 0 0 414.256 2.488 20 5 HEBDRN CS(=O)(=O)c1ccc(N2CCN(Cc3coc(C4CC4)n3)CC2)c([N+](=O)[O-])c1 ZINC000768200636 1080390737 /nfs/dbraw/zinc/39/07/37/1080390737.db2.gz PQJDCTRXWDGXQR-UHFFFAOYSA-N 0 0 406.464 2.186 20 5 HEBDRN 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CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000771192844 1079215875 /nfs/dbraw/zinc/21/58/75/1079215875.db2.gz YITSHMADDHZLII-UHFFFAOYSA-N 0 0 408.360 2.012 20 5 HEBDRN COc1ccc(C(=O)NCC(=O)Oc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000771240789 1079222569 /nfs/dbraw/zinc/22/25/69/1079222569.db2.gz RJDKBPQJQRGAQG-UHFFFAOYSA-N 0 0 413.386 2.066 20 5 HEBDRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000804313539 1079223267 /nfs/dbraw/zinc/22/32/67/1079223267.db2.gz SPHRSTONOKEZJN-MRXNPFEDSA-N 0 0 415.450 2.442 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001169307949 1079231415 /nfs/dbraw/zinc/23/14/15/1079231415.db2.gz AHQWYKHUASKFCE-IRXDYDNUSA-N 0 0 417.466 2.436 20 5 HEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771294595 1079268885 /nfs/dbraw/zinc/26/88/85/1079268885.db2.gz UMSFARYRGIUSAJ-JEZWAEDTSA-N 0 0 421.409 2.132 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(F)cc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000771314021 1079279843 /nfs/dbraw/zinc/27/98/43/1079279843.db2.gz APNRVIBTZRXKBZ-UHFFFAOYSA-N 0 0 412.395 2.025 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000771314419 1079280730 /nfs/dbraw/zinc/28/07/30/1079280730.db2.gz DOGSZWQFXXLUKD-LJQANCHMSA-N 0 0 416.365 2.148 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(F)cc1)OCCOc1cccc([N+](=O)[O-])c1 ZINC000771317323 1079283290 /nfs/dbraw/zinc/28/32/90/1079283290.db2.gz POQWZDRHBLTKPS-UHFFFAOYSA-N 0 0 412.395 2.025 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC001169443162 1079293888 /nfs/dbraw/zinc/29/38/88/1079293888.db2.gz AEQKPTUREICWDK-KRWDZBQOSA-N 0 0 419.434 2.191 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001169443384 1079294315 /nfs/dbraw/zinc/29/43/15/1079294315.db2.gz YZPSMMOXKLWGAN-INIZCTEOSA-N 0 0 407.398 2.321 20 5 HEBDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000766726002 1079304245 /nfs/dbraw/zinc/30/42/45/1079304245.db2.gz ZLJTWULSGBQDDP-FZKQIMNGSA-N 0 0 418.425 2.162 20 5 HEBDRN COc1ncc([N+](=O)[O-])c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)n1 ZINC001169512240 1079318897 /nfs/dbraw/zinc/31/88/97/1079318897.db2.gz LJEMVTVXFRYVDV-ZBFHGGJFSA-N 0 0 401.423 2.265 20 5 HEBDRN Cn1cc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)cc([N+](=O)[O-])c1=O ZINC001169515030 1079319513 /nfs/dbraw/zinc/31/95/13/1079319513.db2.gz DRKCYBZCDUWQQU-QAPCUYQASA-N 0 0 400.435 2.165 20 5 HEBDRN Cc1csc([C@](O)(Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)C(F)(F)F)n1 ZINC000771392499 1079319594 /nfs/dbraw/zinc/31/95/94/1079319594.db2.gz XJZIZFHBOXVLHT-GFCCVEGCSA-N 0 0 404.330 2.136 20 5 HEBDRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000766758033 1079339183 /nfs/dbraw/zinc/33/91/83/1079339183.db2.gz MRWIZBLRWNOOBH-UHFFFAOYSA-N 0 0 416.386 2.124 20 5 HEBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1[N+](=O)[O-] ZINC000766764526 1079353033 /nfs/dbraw/zinc/35/30/33/1079353033.db2.gz OBOHVOMHLOIEJD-GFCCVEGCSA-N 0 0 405.367 2.049 20 5 HEBDRN O=C(Nc1cnc(Br)cn1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766764120 1079353494 /nfs/dbraw/zinc/35/34/94/1079353494.db2.gz YYMYWURBSLGMSM-UHFFFAOYSA-N 0 0 420.179 2.053 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766772227 1079355290 /nfs/dbraw/zinc/35/52/90/1079355290.db2.gz OAOGAFQOBFCROX-NVXWUHKLSA-N 0 0 403.439 2.135 20 5 HEBDRN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771504523 1079364536 /nfs/dbraw/zinc/36/45/36/1079364536.db2.gz XEJQOEOMJYMIMF-UHFFFAOYSA-N 0 0 413.415 2.324 20 5 HEBDRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771511939 1079367205 /nfs/dbraw/zinc/36/72/05/1079367205.db2.gz WUQSEFIHZZDZFS-JTQLQIEISA-N 0 0 411.399 2.057 20 5 HEBDRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771511940 1079367258 /nfs/dbraw/zinc/36/72/58/1079367258.db2.gz WUQSEFIHZZDZFS-SNVBAGLBSA-N 0 0 411.399 2.057 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000766788482 1079377364 /nfs/dbraw/zinc/37/73/64/1079377364.db2.gz YZBUDSVVQCZKLF-FQEVSTJZSA-N 0 0 413.430 2.351 20 5 HEBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(c2ccccn2)C1 ZINC001169699542 1079379784 /nfs/dbraw/zinc/37/97/84/1079379784.db2.gz CFPZKWCSICKIGM-SFHVURJKSA-N 0 0 414.487 2.467 20 5 HEBDRN NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001169714951 1079382942 /nfs/dbraw/zinc/38/29/42/1079382942.db2.gz FUAQRRRHCPWORC-UHFFFAOYSA-N 0 0 405.766 2.104 20 5 HEBDRN Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000766793100 1079383912 /nfs/dbraw/zinc/38/39/12/1079383912.db2.gz LHIGBZCNPFQKQY-AEFFLSMTSA-N 0 0 403.439 2.005 20 5 HEBDRN CCCCC[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000766804321 1079390301 /nfs/dbraw/zinc/39/03/01/1079390301.db2.gz NIVDFOOAIRZGKB-CYBMUJFWSA-N 0 0 405.407 2.100 20 5 HEBDRN O=[N+]([O-])c1ccc2nc(Cl)c(NCc3ccc(N4CCOCC4)nn3)nc2c1 ZINC001169739843 1079394281 /nfs/dbraw/zinc/39/42/81/1079394281.db2.gz KSZOJZTZZYBAEK-UHFFFAOYSA-N 0 0 401.814 2.430 20 5 HEBDRN O=C(Cc1noc(-c2ccnc(-n3ccnc3)c2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771615067 1079398311 /nfs/dbraw/zinc/39/83/11/1079398311.db2.gz JANXYFKZTVBIFP-UHFFFAOYSA-N 0 0 405.374 2.084 20 5 HEBDRN COC(=O)C(C)(C)[C@H]1CCCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000771630379 1079415272 /nfs/dbraw/zinc/41/52/72/1079415272.db2.gz LMINRWBUSOBXIZ-AWEZNQCLSA-N 0 0 418.450 2.232 20 5 HEBDRN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000771590553 1079417650 /nfs/dbraw/zinc/41/76/50/1079417650.db2.gz ZXJMCEKGBQEIMF-GFCCVEGCSA-N 0 0 423.403 2.476 20 5 HEBDRN C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000771666705 1079435573 /nfs/dbraw/zinc/43/55/73/1079435573.db2.gz FJBHXWOELJDPMU-QGHHPUGFSA-N 0 0 407.423 2.163 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1C ZINC000766851713 1079438858 /nfs/dbraw/zinc/43/88/58/1079438858.db2.gz MEIDYCOZUHEHAS-WBVHZDCISA-N 0 0 408.480 2.222 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000766854344 1079440704 /nfs/dbraw/zinc/44/07/04/1079440704.db2.gz HVNUNDYUKWPDTF-SNVBAGLBSA-N 0 0 419.365 2.286 20 5 HEBDRN Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000766849664 1079448761 /nfs/dbraw/zinc/44/87/61/1079448761.db2.gz CLFRVSHZUBGXKP-DOMZBBRYSA-N 0 0 414.871 2.259 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000766850363 1079450638 /nfs/dbraw/zinc/45/06/38/1079450638.db2.gz FRZSKRHAPACLBI-WBVHZDCISA-N 0 0 408.480 2.222 20 5 HEBDRN COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000766866351 1079458774 /nfs/dbraw/zinc/45/87/74/1079458774.db2.gz DTLDGAVZXLFNLF-UHFFFAOYSA-N 0 0 414.330 2.417 20 5 HEBDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2)cc1 ZINC000771730114 1079467321 /nfs/dbraw/zinc/46/73/21/1079467321.db2.gz BCYRKDMOFBXOHG-UHFFFAOYSA-N 0 0 421.450 2.497 20 5 HEBDRN CCOC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771732154 1079468823 /nfs/dbraw/zinc/46/88/23/1079468823.db2.gz PGVJRDKRWWUSBG-OAHLLOKOSA-N 0 0 410.423 2.495 20 5 HEBDRN CCOc1cc(N2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001169908780 1079473290 /nfs/dbraw/zinc/47/32/90/1079473290.db2.gz UTSAMTYSFDQAMF-SFHVURJKSA-N 0 0 407.511 2.419 20 5 HEBDRN C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000771739711 1079474226 /nfs/dbraw/zinc/47/42/26/1079474226.db2.gz RSGVEMYERNYAIL-BMLIUANNSA-N 0 0 409.801 2.355 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCCN(c3nccs3)CC2)cc([N+](=O)[O-])c1F ZINC000771748435 1079478865 /nfs/dbraw/zinc/47/88/65/1079478865.db2.gz WDVANUMBCABBAP-UHFFFAOYSA-N 0 0 400.457 2.400 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)NCCC(C)C)cc([N+](=O)[O-])c1F ZINC000771752884 1079483110 /nfs/dbraw/zinc/48/31/10/1079483110.db2.gz QHRWVBUJJXBFDE-AWEZNQCLSA-N 0 0 419.500 2.268 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCNC(=O)c2c(F)cccc2F)cc([N+](=O)[O-])c1F ZINC000771754464 1079483748 /nfs/dbraw/zinc/48/37/48/1079483748.db2.gz RMPBKZBIMVDTCR-UHFFFAOYSA-N 0 0 417.365 2.029 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1F ZINC000771754873 1079485406 /nfs/dbraw/zinc/48/54/06/1079485406.db2.gz UGUNRAIDZQUKRW-CYBMUJFWSA-N 0 0 411.386 2.265 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc([N+](=O)[O-])c1F ZINC000771754848 1079486182 /nfs/dbraw/zinc/48/61/82/1079486182.db2.gz SOZNMKSRFLJBKS-OAHLLOKOSA-N 0 0 409.439 2.020 20 5 HEBDRN COC(=O)Nc1ccc(CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000737600614 1075911430 /nfs/dbraw/zinc/91/14/30/1075911430.db2.gz MSMGMHDAFFDNAD-UHFFFAOYSA-N 0 0 421.431 2.149 20 5 HEBDRN O=C([C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N1CCCC[C@@H]1c1ncon1 ZINC000737615037 1075912307 /nfs/dbraw/zinc/91/23/07/1075912307.db2.gz IEJVIKLBRNBMNL-BXUZGUMPSA-N 0 0 403.370 2.224 20 5 HEBDRN O=C(OCCN1CCNC1=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000737328458 1075918121 /nfs/dbraw/zinc/91/81/21/1075918121.db2.gz BIZPWINXXUTAFP-UHFFFAOYSA-N 0 0 414.205 2.269 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000766230055 1075939072 /nfs/dbraw/zinc/93/90/72/1075939072.db2.gz NLQCNXRTVYDEOG-GFCCVEGCSA-N 0 0 415.402 2.100 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 ZINC000738377321 1075992403 /nfs/dbraw/zinc/99/24/03/1075992403.db2.gz STMZAVGVLIALHI-UHFFFAOYSA-N 0 0 421.387 2.431 20 5 HEBDRN CC[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000738678144 1076015674 /nfs/dbraw/zinc/01/56/74/1076015674.db2.gz OXMBEYSFACUUMG-KRWDZBQOSA-N 0 0 420.443 2.420 20 5 HEBDRN Nc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000738862308 1076025220 /nfs/dbraw/zinc/02/52/20/1076025220.db2.gz PKBADPLSRUNWSK-UHFFFAOYSA-N 0 0 418.837 2.336 20 5 HEBDRN COc1cc(C(=O)OCCn2cnc3ccsc3c2=O)c([N+](=O)[O-])cc1OC ZINC000739355472 1076059113 /nfs/dbraw/zinc/05/91/13/1076059113.db2.gz LCUZLRLQHQNLRF-UHFFFAOYSA-N 0 0 405.388 2.240 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000739510128 1076061205 /nfs/dbraw/zinc/06/12/05/1076061205.db2.gz OIEBABXBSKKIJY-CVEARBPZSA-N 0 0 419.482 2.332 20 5 HEBDRN CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739516685 1076065649 /nfs/dbraw/zinc/06/56/49/1076065649.db2.gz YEYWRQQISDXSFS-UHFFFAOYSA-N 0 0 412.162 2.450 20 5 HEBDRN COc1cc(C(=O)Oc2ccc(OCC(N)=O)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000739638672 1076068366 /nfs/dbraw/zinc/06/83/66/1076068366.db2.gz MCDRLUBLCLPWFG-UHFFFAOYSA-N 0 0 412.301 2.288 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1C(F)(F)F ZINC000739971776 1076088875 /nfs/dbraw/zinc/08/88/75/1076088875.db2.gz JJCKXCRIKREHDC-JTQLQIEISA-N 0 0 419.175 2.309 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000766241458 1076093506 /nfs/dbraw/zinc/09/35/06/1076093506.db2.gz DLSMPBSTRNXVGG-UHFFFAOYSA-N 0 0 406.464 2.453 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000766246484 1076129927 /nfs/dbraw/zinc/12/99/27/1076129927.db2.gz BIPONNBJSJPIHS-UHFFFAOYSA-N 0 0 402.363 2.254 20 5 HEBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccnc(N2CCCCC2)n1 ZINC000740310016 1076140665 /nfs/dbraw/zinc/14/06/65/1076140665.db2.gz HDKOVMGWZDONBM-KRWDZBQOSA-N 0 0 411.418 2.337 20 5 HEBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000740503611 1076178724 /nfs/dbraw/zinc/17/87/24/1076178724.db2.gz RKZFQYBPSVYDMC-UHFFFAOYSA-N 0 0 408.418 2.253 20 5 HEBDRN CC1(C)CN=C(N2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)S1 ZINC000740715970 1076216306 /nfs/dbraw/zinc/21/63/06/1076216306.db2.gz RQLZZNMSXKNGFU-UHFFFAOYSA-N 0 0 406.464 2.005 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000740731122 1076218409 /nfs/dbraw/zinc/21/84/09/1076218409.db2.gz GXEGQITWQWOKMC-UHFFFAOYSA-N 0 0 412.355 2.145 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H](C)CC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000740734075 1076219553 /nfs/dbraw/zinc/21/95/53/1076219553.db2.gz SPLVXAKYUYPZOW-KDOFPFPSSA-N 0 0 419.478 2.413 20 5 HEBDRN O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740790528 1076238272 /nfs/dbraw/zinc/23/82/72/1076238272.db2.gz MEJQNCAYICBOBR-SFHVURJKSA-N 0 0 409.398 2.181 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000740790207 1076238753 /nfs/dbraw/zinc/23/87/53/1076238753.db2.gz FKKAGHGJSLUUQY-UHFFFAOYSA-N 0 0 424.413 2.150 20 5 HEBDRN CCOC(=O)c1ccnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1[N+](=O)[O-] ZINC000737395303 1076244274 /nfs/dbraw/zinc/24/42/74/1076244274.db2.gz CPTGWRYFYNRRNO-CYBMUJFWSA-N 0 0 403.391 2.237 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000740871868 1076276857 /nfs/dbraw/zinc/27/68/57/1076276857.db2.gz QIQKCROIZCLPCH-UHFFFAOYSA-N 0 0 423.403 2.330 20 5 HEBDRN C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740928038 1076299238 /nfs/dbraw/zinc/29/92/38/1076299238.db2.gz BESCIDAOTMWQTA-CZUORRHYSA-N 0 0 420.466 2.086 20 5 HEBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H](O)c1c(F)cccc1F ZINC000740935228 1076302094 /nfs/dbraw/zinc/30/20/94/1076302094.db2.gz KVJOPRHDIYMEKQ-HNNXBMFYSA-N 0 0 421.356 2.411 20 5 HEBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H](O)c1c(F)cccc1F ZINC000740935229 1076302151 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Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@](C)(O)c2ccco2)ccc1[N+](=O)[O-] ZINC000743652681 1077081987 /nfs/dbraw/zinc/08/19/87/1077081987.db2.gz AKKLMLFMDRMOHO-OXQOHEQNSA-N 0 0 401.419 2.125 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@](C)(O)c2ccco2)ccc1[N+](=O)[O-] ZINC000743652673 1077082067 /nfs/dbraw/zinc/08/20/67/1077082067.db2.gz AKKLMLFMDRMOHO-JXFKEZNVSA-N 0 0 401.419 2.125 20 5 HEBDRN CC(C)[C@@](C)(O)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000743712974 1077094829 /nfs/dbraw/zinc/09/48/29/1077094829.db2.gz GWXHUHJLMHKYGK-IBGZPJMESA-N 0 0 422.459 2.499 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000743718280 1077096015 /nfs/dbraw/zinc/09/60/15/1077096015.db2.gz NIXRVZPTKDOJBH-MJGOQNOKSA-N 0 0 413.430 2.026 20 5 HEBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000743778941 1077110317 /nfs/dbraw/zinc/11/03/17/1077110317.db2.gz FLNVHDBTUTYYHY-UHFFFAOYSA-N 0 0 424.369 2.095 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000743818142 1077134134 /nfs/dbraw/zinc/13/41/34/1077134134.db2.gz OHXADONXKDFCBW-UHFFFAOYSA-N 0 0 402.432 2.231 20 5 HEBDRN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000743837168 1077138061 /nfs/dbraw/zinc/13/80/61/1077138061.db2.gz JTDAUCMQAWLJAB-OTYXRUKQSA-N 0 0 422.239 2.015 20 5 HEBDRN O=C(Nc1c(F)cc(F)cc1F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743886969 1077180023 /nfs/dbraw/zinc/18/00/23/1077180023.db2.gz DBELLVNAHSSHFZ-UHFFFAOYSA-N 0 0 408.336 2.299 20 5 HEBDRN COc1cc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc2c1O[C@@H](C)C2 ZINC000744147270 1077330729 /nfs/dbraw/zinc/33/07/29/1077330729.db2.gz AHQDSTYBIGBROI-NSHDSACASA-N 0 0 415.402 2.295 20 5 HEBDRN NC(=O)CNC(=O)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000744146233 1077330777 /nfs/dbraw/zinc/33/07/77/1077330777.db2.gz YDIJVPWKIKVFBX-UHFFFAOYSA-N 0 0 411.292 2.048 20 5 HEBDRN CSc1ncc(Cl)c(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000744148572 1077331216 /nfs/dbraw/zinc/33/12/16/1077331216.db2.gz GFXJWOOSWBUPGR-UHFFFAOYSA-N 0 0 411.827 2.128 20 5 HEBDRN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744230161 1077345365 /nfs/dbraw/zinc/34/53/65/1077345365.db2.gz DEDBLIKMKUAUIU-INIZCTEOSA-N 0 0 421.413 2.381 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000744355737 1077371406 /nfs/dbraw/zinc/37/14/06/1077371406.db2.gz VSLCIOUGEZYBGT-MRXNPFEDSA-N 0 0 401.467 2.215 20 5 HEBDRN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCCNC1=O ZINC000744393331 1077374093 /nfs/dbraw/zinc/37/40/93/1077374093.db2.gz JNGRZRBZMNEQFK-HNNXBMFYSA-N 0 0 403.464 2.257 20 5 HEBDRN COC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000744379956 1077376043 /nfs/dbraw/zinc/37/60/43/1077376043.db2.gz GGSBIUGERRSFGE-UHFFFAOYSA-N 0 0 401.213 2.152 20 5 HEBDRN COC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000744379702 1077376050 /nfs/dbraw/zinc/37/60/50/1077376050.db2.gz VUUIHAZKUAFBMG-BJOHPYRUSA-N 0 0 407.320 2.170 20 5 HEBDRN Cc1c(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000744380590 1077376226 /nfs/dbraw/zinc/37/62/26/1077376226.db2.gz ZCKMDEJXDBVVSF-OAHLLOKOSA-N 0 0 420.422 2.055 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](OC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000744469041 1077404624 /nfs/dbraw/zinc/40/46/24/1077404624.db2.gz SGNWPOMGWPYBSB-GOSISDBHSA-N 0 0 411.414 2.372 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1nc(Cc2ccc(F)cc2)no1 ZINC000744469005 1077405216 /nfs/dbraw/zinc/40/52/16/1077405216.db2.gz QRKYFXQRVQSYRJ-UHFFFAOYSA-N 0 0 414.349 2.181 20 5 HEBDRN CCOc1cc(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)c([N+](=O)[O-])cc1OC ZINC000744517834 1077434966 /nfs/dbraw/zinc/43/49/66/1077434966.db2.gz DXVPMNLGTZBWGO-AWEZNQCLSA-N 0 0 418.406 2.088 20 5 HEBDRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000744532876 1077447449 /nfs/dbraw/zinc/44/74/49/1077447449.db2.gz ZXBJRYKAEJEVRN-UHFFFAOYSA-N 0 0 422.419 2.022 20 5 HEBDRN COC(=O)[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000744560997 1077470662 /nfs/dbraw/zinc/47/06/62/1077470662.db2.gz QYSNOSPOONYFCR-MRXNPFEDSA-N 0 0 422.390 2.382 20 5 HEBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](OC(=O)N(C)C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001273423257 1077474902 /nfs/dbraw/zinc/47/49/02/1077474902.db2.gz LMVYTIUHJCGIGS-KRWDZBQOSA-N 0 0 415.450 2.369 20 5 HEBDRN O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cccc(Cl)n1 ZINC000744572049 1077486594 /nfs/dbraw/zinc/48/65/94/1077486594.db2.gz CNTJAKPHHFQPGN-UHFFFAOYSA-N 0 0 420.230 2.318 20 5 HEBDRN CC(=O)c1ccc(O)c(CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000744579947 1077493866 /nfs/dbraw/zinc/49/38/66/1077493866.db2.gz HWLQEAUEBGMWPK-UHFFFAOYSA-N 0 0 400.343 2.197 20 5 HEBDRN C[C@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744603487 1077513187 /nfs/dbraw/zinc/51/31/87/1077513187.db2.gz WSKAKCLJUKQAEB-ZDUSSCGKSA-N 0 0 400.391 2.010 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000744651816 1077538964 /nfs/dbraw/zinc/53/89/64/1077538964.db2.gz KDCITUMQMSMHPQ-GFCCVEGCSA-N 0 0 424.841 2.222 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H]2CCCCN2c2ncccn2)c([N+](=O)[O-])c1 ZINC000744693130 1077545035 /nfs/dbraw/zinc/54/50/35/1077545035.db2.gz VXKPBMNLFJGGAA-OAHLLOKOSA-N 0 0 402.407 2.375 20 5 HEBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000744731439 1077559228 /nfs/dbraw/zinc/55/92/28/1077559228.db2.gz NEERMJNYIKBVCN-NHYWBVRUSA-N 0 0 403.357 2.223 20 5 HEBDRN COc1ccc(OCCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 ZINC000744744526 1077565495 /nfs/dbraw/zinc/56/54/95/1077565495.db2.gz FCFJGJITFIBGGC-UHFFFAOYSA-N 0 0 416.346 2.484 20 5 HEBDRN Cc1cc(NC(=O)COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n(C(C)(C)C)n1 ZINC000744745197 1077565810 /nfs/dbraw/zinc/56/58/10/1077565810.db2.gz SAFNTEAJKZYLLY-UHFFFAOYSA-N 0 0 414.422 2.386 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000744745556 1077565923 /nfs/dbraw/zinc/56/59/23/1077565923.db2.gz XMHAPDHCZVHPGS-UHFFFAOYSA-N 0 0 424.369 2.327 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000744737949 1077574611 /nfs/dbraw/zinc/57/46/11/1077574611.db2.gz YXMGLTWFGPEAMJ-HNNXBMFYSA-N 0 0 421.450 2.453 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744773697 1077578282 /nfs/dbraw/zinc/57/82/82/1077578282.db2.gz KKMSVEUCWLJVJX-BXUZGUMPSA-N 0 0 424.435 2.063 20 5 HEBDRN CCC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000744817836 1077588862 /nfs/dbraw/zinc/58/88/62/1077588862.db2.gz MBDBYYJZCWFWQO-DOMZBBRYSA-N 0 0 407.423 2.265 20 5 HEBDRN CSCCCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000744855014 1077623195 /nfs/dbraw/zinc/62/31/95/1077623195.db2.gz ZQCBKWYVGMILPY-ZDUSSCGKSA-N 0 0 402.494 2.292 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744878974 1077649554 /nfs/dbraw/zinc/64/95/54/1077649554.db2.gz GIMGILACSHYTOC-CYBMUJFWSA-N 0 0 424.417 2.165 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744880098 1077649583 /nfs/dbraw/zinc/64/95/83/1077649583.db2.gz HCDJRQOUZQHLQH-CYBMUJFWSA-N 0 0 411.418 2.321 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)Nc1ccnn1CC1CCCCC1 ZINC000744880070 1077649718 /nfs/dbraw/zinc/64/97/18/1077649718.db2.gz GNSKALXFKMMYKN-UHFFFAOYSA-N 0 0 404.427 2.058 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000744924511 1077653478 /nfs/dbraw/zinc/65/34/78/1077653478.db2.gz KGAOHQIEYDXQCY-SNVBAGLBSA-N 0 0 421.366 2.014 20 5 HEBDRN CCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744928351 1077655457 /nfs/dbraw/zinc/65/54/57/1077655457.db2.gz ULRDPUSOGCKNNH-YOEHRIQHSA-N 0 0 405.451 2.356 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1=O ZINC000744910004 1077662350 /nfs/dbraw/zinc/66/23/50/1077662350.db2.gz CVSJDDKHNDWGQO-ZDUSSCGKSA-N 0 0 420.399 2.414 20 5 HEBDRN COc1ncnc(OC)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744969095 1077683971 /nfs/dbraw/zinc/68/39/71/1077683971.db2.gz OQHKHEZOFYEPDB-VIFPVBQESA-N 0 0 401.335 2.370 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744977890 1077690993 /nfs/dbraw/zinc/69/09/93/1077690993.db2.gz ZQUAJHYDURCVRG-FZMZJTMJSA-N 0 0 409.464 2.413 20 5 HEBDRN COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000745024550 1077708405 /nfs/dbraw/zinc/70/84/05/1077708405.db2.gz UHPCJPPFOFZPIB-RNCFNFMXSA-N 0 0 401.803 2.499 20 5 HEBDRN COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000745023928 1077708413 /nfs/dbraw/zinc/70/84/13/1077708413.db2.gz KGGPJTWUUTZOJE-RNCFNFMXSA-N 0 0 401.803 2.499 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1 ZINC000745025856 1077708715 /nfs/dbraw/zinc/70/87/15/1077708715.db2.gz AFXFCXUPQXIYFM-JSGCOSHPSA-N 0 0 401.375 2.363 20 5 HEBDRN CC(=O)c1ccc(O)c(CCOC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000745026726 1077709369 /nfs/dbraw/zinc/70/93/69/1077709369.db2.gz DEJYJGKFMCCBLG-HNNXBMFYSA-N 0 0 416.386 2.487 20 5 HEBDRN CC(C)CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028561 1077709987 /nfs/dbraw/zinc/70/99/87/1077709987.db2.gz KBHVAOJCGOWIGH-QWHCGFSZSA-N 0 0 411.480 2.355 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000745051017 1077713693 /nfs/dbraw/zinc/71/36/93/1077713693.db2.gz VQCGDMJXPRTBOY-OAHLLOKOSA-N 0 0 422.825 2.408 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000745142977 1077754158 /nfs/dbraw/zinc/75/41/58/1077754158.db2.gz YIVLHWAOOOEMEY-XCLFUZPHSA-N 0 0 402.403 2.467 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000745147921 1077757861 /nfs/dbraw/zinc/75/78/61/1077757861.db2.gz RXNGQGFSBSFWEN-RBZFPXEDSA-N 0 0 402.403 2.467 20 5 HEBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnn1C ZINC000745163771 1077762286 /nfs/dbraw/zinc/76/22/86/1077762286.db2.gz NWMDSIOZQOAPCI-JTQLQIEISA-N 0 0 416.419 2.339 20 5 HEBDRN CN(CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000766326232 1077797003 /nfs/dbraw/zinc/79/70/03/1077797003.db2.gz RIECMICBNNARQG-MRXNPFEDSA-N 0 0 409.439 2.210 20 5 HEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000745334917 1077805293 /nfs/dbraw/zinc/80/52/93/1077805293.db2.gz JMJQQLCUSOVYFN-UHFFFAOYSA-N 0 0 405.317 2.458 20 5 HEBDRN NC(=O)c1c(NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000745334496 1077805412 /nfs/dbraw/zinc/80/54/12/1077805412.db2.gz UBBFXQMKTPPTGL-UHFFFAOYSA-N 0 0 417.443 2.358 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000771784171 1079504555 /nfs/dbraw/zinc/50/45/55/1079504555.db2.gz HWKDHEGCJNMGRT-UHFFFAOYSA-N 0 0 411.388 2.475 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000771783609 1079505106 /nfs/dbraw/zinc/50/51/06/1079505106.db2.gz FBYOOHOWZPHCCU-HNNXBMFYSA-N 0 0 421.450 2.369 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000771788246 1079507188 /nfs/dbraw/zinc/50/71/88/1079507188.db2.gz YZUXABSRZXLRRF-UHFFFAOYSA-N 0 0 418.406 2.290 20 5 HEBDRN CC[C@H](CO)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000771815094 1079544874 /nfs/dbraw/zinc/54/48/74/1079544874.db2.gz HMSFTTVIPKMHTC-QGZVFWFLSA-N 0 0 404.511 2.360 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000746516296 1079549310 /nfs/dbraw/zinc/54/93/10/1079549310.db2.gz HHCFCJNCRQMUAZ-UHFFFAOYSA-N 0 0 423.422 2.440 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn(C2CCOCC2)c1C ZINC000766991789 1079552642 /nfs/dbraw/zinc/55/26/42/1079552642.db2.gz QWLAWKHEUZCPSZ-UHFFFAOYSA-N 0 0 418.406 2.255 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963222 1079559749 /nfs/dbraw/zinc/55/97/49/1079559749.db2.gz ZJXGKTIPNUFMMK-JCKWVBRZSA-N 0 0 417.466 2.252 20 5 HEBDRN Cc1ncc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)s1 ZINC000771922194 1079573890 /nfs/dbraw/zinc/57/38/90/1079573890.db2.gz NGFQUOMJPRUECW-UHFFFAOYSA-N 0 0 412.493 2.035 20 5 HEBDRN COC(=O)CNC(=O)c1ccc(N[C@H](C)C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771925450 1079575471 /nfs/dbraw/zinc/57/54/71/1079575471.db2.gz KKYOCQQCWBOHRP-FZKQIMNGSA-N 0 0 401.419 2.422 20 5 HEBDRN C[C@@H](NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000771936357 1079590490 /nfs/dbraw/zinc/59/04/90/1079590490.db2.gz CVYJSFDTLBJRON-CYBMUJFWSA-N 0 0 413.434 2.403 20 5 HEBDRN COc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC000771941081 1079592981 /nfs/dbraw/zinc/59/29/81/1079592981.db2.gz RSCLSARBICAUCK-UHFFFAOYSA-N 0 0 422.419 2.023 20 5 HEBDRN COC(=O)c1coc([C@@H](C)OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 ZINC000766997332 1079597964 /nfs/dbraw/zinc/59/79/64/1079597964.db2.gz RSYMDYQIASNPNU-SNVBAGLBSA-N 0 0 404.331 2.004 20 5 HEBDRN COC(=O)c1ccccc1CCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000771950993 1079599202 /nfs/dbraw/zinc/59/92/02/1079599202.db2.gz PWUQPPRNBNUMPU-UHFFFAOYSA-N 0 0 400.343 2.075 20 5 HEBDRN COC(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000771980955 1079624356 /nfs/dbraw/zinc/62/43/56/1079624356.db2.gz NQWLEOJDNIYHQF-SECBINFHSA-N 0 0 407.242 2.074 20 5 HEBDRN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772058770 1079677295 /nfs/dbraw/zinc/67/72/95/1079677295.db2.gz STZFYCYKEPCEEI-LLVKDONJSA-N 0 0 404.379 2.078 20 5 HEBDRN C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000772059712 1079678271 /nfs/dbraw/zinc/67/82/71/1079678271.db2.gz JEDOCGBQYBZYEA-LLVKDONJSA-N 0 0 410.814 2.064 20 5 HEBDRN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCN1CCOC ZINC000767123883 1079689119 /nfs/dbraw/zinc/68/91/19/1079689119.db2.gz VAPFKDZBTSWQFJ-GOSISDBHSA-N 0 0 420.510 2.004 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1nn(C)c2ccccc12 ZINC000772185609 1079730843 /nfs/dbraw/zinc/73/08/43/1079730843.db2.gz JRYAPUNKXUCBJD-UHFFFAOYSA-N 0 0 419.463 2.318 20 5 HEBDRN O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CN1C(=O)c2ccccc2C1=O ZINC000767236763 1079756100 /nfs/dbraw/zinc/75/61/00/1079756100.db2.gz QKJGWQMMLSOLNA-UHFFFAOYSA-N 0 0 423.381 2.191 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000767241754 1079761398 /nfs/dbraw/zinc/76/13/98/1079761398.db2.gz RVSOOZWHYVXMFG-UHFFFAOYSA-N 0 0 408.432 2.156 20 5 HEBDRN C[C@@](O)(C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1)C(F)(F)F ZINC000767245851 1079764753 /nfs/dbraw/zinc/76/47/53/1079764753.db2.gz KNDUAVHLEZRPEU-CYBMUJFWSA-N 0 0 400.350 2.448 20 5 HEBDRN Cc1ccn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(=O)c1 ZINC000772206459 1079765579 /nfs/dbraw/zinc/76/55/79/1079765579.db2.gz OPBUDJTYKWTIRP-UHFFFAOYSA-N 0 0 424.379 2.433 20 5 HEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCC1(CN2C(=O)c3ccccc3C2=O)CCCC1 ZINC000772264065 1079767747 /nfs/dbraw/zinc/76/77/47/1079767747.db2.gz UJTHTKXLGQAHCE-UHFFFAOYSA-N 0 0 412.402 2.191 20 5 HEBDRN CCOc1ccc(C(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000767271424 1079769058 /nfs/dbraw/zinc/76/90/58/1079769058.db2.gz BXLBVMRYOYPYLI-UHFFFAOYSA-N 0 0 412.354 2.016 20 5 HEBDRN Cc1ccc(COC(=O)CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000772241416 1079783175 /nfs/dbraw/zinc/78/31/75/1079783175.db2.gz BCUPOAWIEDXEKP-UHFFFAOYSA-N 0 0 413.839 2.363 20 5 HEBDRN CCOC(=O)[C@]1(CCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC1=O ZINC000767285716 1079789629 /nfs/dbraw/zinc/78/96/29/1079789629.db2.gz MOBRJTCKSRCOEM-IBGZPJMESA-N 0 0 403.391 2.180 20 5 HEBDRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000767287395 1079790935 /nfs/dbraw/zinc/79/09/35/1079790935.db2.gz YMCRJHAYYNPRTN-UHFFFAOYSA-N 0 0 400.318 2.146 20 5 HEBDRN CS(=O)(=O)Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000767310006 1079804392 /nfs/dbraw/zinc/80/43/92/1079804392.db2.gz SSDZNWBORZUNEA-UHFFFAOYSA-N 0 0 421.435 2.201 20 5 HEBDRN NC(=O)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000767339199 1079811986 /nfs/dbraw/zinc/81/19/86/1079811986.db2.gz NOOJYSXZNVSCOY-UHFFFAOYSA-N 0 0 420.285 2.024 20 5 HEBDRN COc1ccc(COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000772355085 1079814320 /nfs/dbraw/zinc/81/43/20/1079814320.db2.gz UBAKONICTLGATO-UHFFFAOYSA-N 0 0 402.407 2.216 20 5 HEBDRN CNC(=O)COc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000767320338 1079817521 /nfs/dbraw/zinc/81/75/21/1079817521.db2.gz GMJSLCNBBMVKAF-UHFFFAOYSA-N 0 0 400.796 2.141 20 5 HEBDRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000767367818 1079830802 /nfs/dbraw/zinc/83/08/02/1079830802.db2.gz WMXYXWOCAHGMSI-UHFFFAOYSA-N 0 0 418.308 2.285 20 5 HEBDRN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000772378929 1079854400 /nfs/dbraw/zinc/85/44/00/1079854400.db2.gz RDTSGJYPPDMLIY-JXFKEZNVSA-N 0 0 405.451 2.283 20 5 HEBDRN O=C(COC(=O)CCCNC(=O)c1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000772392763 1079859995 /nfs/dbraw/zinc/85/99/95/1079859995.db2.gz UUDGWZOANOWHTO-UHFFFAOYSA-N 0 0 420.809 2.335 20 5 HEBDRN CCC1(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000780641253 1079871919 /nfs/dbraw/zinc/87/19/19/1079871919.db2.gz MGDVMXQOJCDXTH-UHFFFAOYSA-N 0 0 400.453 2.013 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000767495031 1079887541 /nfs/dbraw/zinc/88/75/41/1079887541.db2.gz WBHRBIUJNFCRAI-ZDUSSCGKSA-N 0 0 423.422 2.103 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000767495030 1079887660 /nfs/dbraw/zinc/88/76/60/1079887660.db2.gz WBHRBIUJNFCRAI-CYBMUJFWSA-N 0 0 423.422 2.103 20 5 HEBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000772574816 1079933681 /nfs/dbraw/zinc/93/36/81/1079933681.db2.gz SVRVLNYFZTZJJE-SFHVURJKSA-N 0 0 410.434 2.100 20 5 HEBDRN NC(=O)c1ccc(COC(=O)CCCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000767538012 1079940210 /nfs/dbraw/zinc/94/02/10/1079940210.db2.gz HNEPFMJAOWPPAA-UHFFFAOYSA-N 0 0 402.359 2.325 20 5 HEBDRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000772582688 1079944083 /nfs/dbraw/zinc/94/40/83/1079944083.db2.gz PLTSRNXZNSJFHX-ZFWWWQNUSA-N 0 0 420.466 2.229 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772553155 1079960127 /nfs/dbraw/zinc/96/01/27/1079960127.db2.gz FGIXVTZAHAOTJM-CYBMUJFWSA-N 0 0 414.484 2.386 20 5 HEBDRN COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001129371639 1079983293 /nfs/dbraw/zinc/98/32/93/1079983293.db2.gz MVBDTPNKOGITLW-UHFFFAOYSA-N 0 0 424.406 2.495 20 5 HEBDRN Cc1ncc(CCNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000772630057 1079988859 /nfs/dbraw/zinc/98/88/59/1079988859.db2.gz JQERNHACMBWPTE-UHFFFAOYSA-N 0 0 409.493 2.131 20 5 HEBDRN C[C@@H](OC(=O)C[C@H]1COC(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000767601566 1080000199 /nfs/dbraw/zinc/00/01/99/1080000199.db2.gz OTIZBUSHSYRGJJ-BDAKNGLRSA-N 0 0 404.297 2.437 20 5 HEBDRN CC(=O)[C@@H]1C[C@H](CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000772656209 1080013723 /nfs/dbraw/zinc/01/37/23/1080013723.db2.gz MUNFDKJGERLPJA-NEPJUHHUSA-N 0 0 406.391 2.447 20 5 HEBDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000767622529 1080014618 /nfs/dbraw/zinc/01/46/18/1080014618.db2.gz GEYIBONYPXEUOW-KRWDZBQOSA-N 0 0 422.482 2.173 20 5 HEBDRN NS(=O)(=O)c1ccccc1N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000785511097 1080028268 /nfs/dbraw/zinc/02/82/68/1080028268.db2.gz UEGUDGJIJSEASK-UHFFFAOYSA-N 0 0 410.883 2.218 20 5 HEBDRN Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000767708689 1080044541 /nfs/dbraw/zinc/04/45/41/1080044541.db2.gz VNKXCUXHFKIPEP-UHFFFAOYSA-N 0 0 404.713 2.379 20 5 HEBDRN Cc1c(OS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000767723306 1080053042 /nfs/dbraw/zinc/05/30/42/1080053042.db2.gz PSVLPKQILUVABT-UHFFFAOYSA-N 0 0 404.400 2.298 20 5 HEBDRN COc1ccc(CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)cc1[N+](=O)[O-] ZINC000767725732 1080054822 /nfs/dbraw/zinc/05/48/22/1080054822.db2.gz ADPAEPBUQWSMOJ-UHFFFAOYSA-N 0 0 408.432 2.301 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000767746509 1080063315 /nfs/dbraw/zinc/06/33/15/1080063315.db2.gz PNUUTHLANOGDMG-UHFFFAOYSA-N 0 0 405.498 2.454 20 5 HEBDRN COc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnc1Br ZINC000785593198 1080066184 /nfs/dbraw/zinc/06/61/84/1080066184.db2.gz WHJLNMNFBKFHJD-UHFFFAOYSA-N 0 0 410.228 2.435 20 5 HEBDRN CCOc1ccnc(N2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)n1 ZINC000767822640 1080133999 /nfs/dbraw/zinc/13/39/99/1080133999.db2.gz LQQKCIIJOANLIX-UHFFFAOYSA-N 0 0 412.450 2.385 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000785699879 1080170665 /nfs/dbraw/zinc/17/06/65/1080170665.db2.gz GVGSQVZJRWKISS-UHFFFAOYSA-N 0 0 407.423 2.100 20 5 HEBDRN COc1cccc(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000767879342 1080197487 /nfs/dbraw/zinc/19/74/87/1080197487.db2.gz CESMLTKVHFMCQB-UHFFFAOYSA-N 0 0 422.482 2.228 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(-n2cnnc2C)c1 ZINC000767872367 1080211613 /nfs/dbraw/zinc/21/16/13/1080211613.db2.gz NVXRXIUPCMXEAJ-UHFFFAOYSA-N 0 0 411.374 2.323 20 5 HEBDRN Cc1cc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC000785711327 1080219177 /nfs/dbraw/zinc/21/91/77/1080219177.db2.gz HFDJDBCHVPYWIM-UHFFFAOYSA-N 0 0 400.410 2.007 20 5 HEBDRN O=C(COC(=O)[C@H]1COc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785776289 1080240924 /nfs/dbraw/zinc/24/09/24/1080240924.db2.gz 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Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000770964761 1079090920 /nfs/dbraw/zinc/09/09/20/1079090920.db2.gz MCKUCZHFRPZSKL-QGZVFWFLSA-N 0 0 404.419 2.047 20 5 HEBDRN CCO[C@@H]1C[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C12CCOCC2 ZINC000770986019 1079095956 /nfs/dbraw/zinc/09/59/56/1079095956.db2.gz RQVNHQBHVFGFAA-FVQBIDKESA-N 0 0 422.434 2.310 20 5 HEBDRN CC1(OCc2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)CCC1 ZINC000771056758 1079117545 /nfs/dbraw/zinc/11/75/45/1079117545.db2.gz OHSJHNNSKQUCSD-UHFFFAOYSA-N 0 0 404.379 2.389 20 5 HEBDRN O=C(Cc1noc(Cc2cccc(O)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085733 1079136118 /nfs/dbraw/zinc/13/61/18/1079136118.db2.gz PTNXZPJZWJGQJG-UHFFFAOYSA-N 0 0 423.429 2.166 20 5 HEBDRN O=C(Cc1noc(/C=C\c2cccnc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771086542 1079136848 /nfs/dbraw/zinc/13/68/48/1079136848.db2.gz DTJZNXSNCYSVBR-BAQGIRSFSA-N 0 0 420.429 2.435 20 5 HEBDRN C[C@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771102256 1079153057 /nfs/dbraw/zinc/15/30/57/1079153057.db2.gz LZWSYDJLULQAHJ-QMMMGPOBSA-N 0 0 420.765 2.158 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CCNC(=O)c3ccccc3F)CC2)c1 ZINC000771205904 1079203843 /nfs/dbraw/zinc/20/38/43/1079203843.db2.gz PUFPZQDPUHSMLW-UHFFFAOYSA-N 0 0 420.416 2.434 20 5 HEBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001169241633 1079208932 /nfs/dbraw/zinc/20/89/32/1079208932.db2.gz WLQVCXXVLULQFU-QGZVFWFLSA-N 0 0 400.391 2.314 20 5 HEBDRN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000771176249 1079210691 /nfs/dbraw/zinc/21/06/91/1079210691.db2.gz LKAXNDSBYQCMPV-UHFFFAOYSA-N 0 0 408.360 2.012 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000771228647 1079217901 /nfs/dbraw/zinc/21/79/01/1079217901.db2.gz MINUOQBKNVHCAR-VXGBXAGGSA-N 0 0 407.402 2.318 20 5 HEBDRN CC(C)(C(=O)Oc1cccc(Oc2ccnc(C(N)=O)c2)c1)n1cc([N+](=O)[O-])cn1 ZINC000766643782 1079223331 /nfs/dbraw/zinc/22/33/31/1079223331.db2.gz GVQCJKPGFWYOSO-UHFFFAOYSA-N 0 0 411.374 2.418 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000766655812 1079228904 /nfs/dbraw/zinc/22/89/04/1079228904.db2.gz QBLRRNUCOKOJKO-GFCCVEGCSA-N 0 0 409.416 2.456 20 5 HEBDRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000804316211 1079228936 /nfs/dbraw/zinc/22/89/36/1079228936.db2.gz SWIZUFQTLFMWFZ-QGZVFWFLSA-N 0 0 415.450 2.442 20 5 HEBDRN C[C@@H]1CN(C(=O)Cc2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)C[C@@H](C)O1 ZINC000771222786 1079235442 /nfs/dbraw/zinc/23/54/42/1079235442.db2.gz ILFBUPKAFKVACT-HSMVNMDESA-N 0 0 415.406 2.022 20 5 HEBDRN C[C@@H]1CN(C(=O)Cc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)C[C@@H](C)O1 ZINC000771222789 1079235484 /nfs/dbraw/zinc/23/54/84/1079235484.db2.gz ILFBUPKAFKVACT-XHBSWPGZSA-N 0 0 415.406 2.022 20 5 HEBDRN CCNS(=O)(=O)[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000771281359 1079238924 /nfs/dbraw/zinc/23/89/24/1079238924.db2.gz DHFFNFWMXVDYAT-SECBINFHSA-N 0 0 412.346 2.040 20 5 HEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771294592 1079268939 /nfs/dbraw/zinc/26/89/39/1079268939.db2.gz UMSFARYRGIUSAJ-JEJOPICUSA-N 0 0 421.409 2.132 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001169439802 1079290616 /nfs/dbraw/zinc/29/06/16/1079290616.db2.gz CQHWXDCKYDZVML-KRWDZBQOSA-N 0 0 414.418 2.355 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(F)cc([N+](=O)[O-])c2C)c1 ZINC001169440476 1079291129 /nfs/dbraw/zinc/29/11/29/1079291129.db2.gz GFXNPBHQOYOLRP-KRWDZBQOSA-N 0 0 407.398 2.321 20 5 HEBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2CSCCN2C(=O)OC(C)(C)C)n1 ZINC000771388531 1079317696 /nfs/dbraw/zinc/31/76/96/1079317696.db2.gz CRFBPFWQGICSMI-JTQLQIEISA-N 0 0 410.456 2.273 20 5 HEBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cnc(NC(=O)OC(C)(C)C)cn3)n2)n1C ZINC000771458722 1079333608 /nfs/dbraw/zinc/33/36/08/1079333608.db2.gz MJFPMBSUZHGWOS-UHFFFAOYSA-N 0 0 402.371 2.491 20 5 HEBDRN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771484728 1079355520 /nfs/dbraw/zinc/35/55/20/1079355520.db2.gz ZXUCKQDZCIEKRR-UHFFFAOYSA-N 0 0 401.354 2.031 20 5 HEBDRN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCN(Cc2cscn2)CC1 ZINC000771511228 1079366353 /nfs/dbraw/zinc/36/63/53/1079366353.db2.gz ZUCYTIABHKSBQT-UHFFFAOYSA-N 0 0 404.477 2.404 20 5 HEBDRN CC(=O)Nc1cccc(OCCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000771508359 1079365600 /nfs/dbraw/zinc/36/56/00/1079365600.db2.gz FBVLAIVKIZDXDY-UHFFFAOYSA-N 0 0 401.404 2.367 20 5 HEBDRN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771522133 1079369895 /nfs/dbraw/zinc/36/98/95/1079369895.db2.gz YKUMHAJPAHSCMW-VIFPVBQESA-N 0 0 410.358 2.047 20 5 HEBDRN O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc2nsnc2c([N+](=O)[O-])c1 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TZCJTWAFKQHKKP-UHFFFAOYSA-N 0 0 401.400 2.278 20 5 HEBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCCN(CC(F)(F)F)CC1 ZINC000738069341 1075957615 /nfs/dbraw/zinc/95/76/15/1075957615.db2.gz GVFWTSDJEFJPIJ-UHFFFAOYSA-N 0 0 411.384 2.346 20 5 HEBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](O)c1cccc(F)c1 ZINC000771727605 1079494960 /nfs/dbraw/zinc/49/49/60/1079494960.db2.gz AKJOTLLKBDIPQS-DJJJIMSYSA-N 0 0 403.410 2.422 20 5 HEBDRN Cn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC001169961700 1079496165 /nfs/dbraw/zinc/49/61/65/1079496165.db2.gz ALOAFEXZRBFXTN-OYLFLEFRSA-N 0 0 413.297 2.396 20 5 HEBDRN COc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000738427847 1075996049 /nfs/dbraw/zinc/99/60/49/1075996049.db2.gz SZFGEVJWBPPLHF-UHFFFAOYSA-N 0 0 407.448 2.236 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000738545915 1076000640 /nfs/dbraw/zinc/00/06/40/1076000640.db2.gz URAAHBLIBGUVNK-UHFFFAOYSA-N 0 0 414.300 2.462 20 5 HEBDRN Cc1ccnc(C2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000766897588 1079500542 /nfs/dbraw/zinc/50/05/42/1079500542.db2.gz XUFBQWSAKUMSRR-UHFFFAOYSA-N 0 0 423.429 2.366 20 5 HEBDRN CS(=O)(=O)c1cccc(OCCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000738646555 1076012045 /nfs/dbraw/zinc/01/20/45/1076012045.db2.gz XTLXQKPLGOVLHF-UHFFFAOYSA-N 0 0 423.399 2.005 20 5 HEBDRN CC(C)c1noc([C@H](C)OC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000738674573 1076015308 /nfs/dbraw/zinc/01/53/08/1076015308.db2.gz RYHPPHBYPGJZNY-NSHDSACASA-N 0 0 412.424 2.026 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000738697928 1076016814 /nfs/dbraw/zinc/01/68/14/1076016814.db2.gz ACNWSULYDDZJJU-UHFFFAOYSA-N 0 0 416.365 2.367 20 5 HEBDRN COc1cc(N2CCC(OC(=O)[C@H](C)Sc3nncn3C)CC2)ccc1[N+](=O)[O-] ZINC000739368869 1076060278 /nfs/dbraw/zinc/06/02/78/1076060278.db2.gz FVBOEHFIHGZYKX-LBPRGKRZSA-N 0 0 421.479 2.425 20 5 HEBDRN COC(=O)N[C@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C(C)C ZINC000739370878 1076060311 /nfs/dbraw/zinc/06/03/11/1076060311.db2.gz RAFBYIYXIVKEAX-KRWDZBQOSA-N 0 0 409.439 2.496 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1Br ZINC000739978459 1076089863 /nfs/dbraw/zinc/08/98/63/1076089863.db2.gz UFFZKWHYDXDALO-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000739987177 1076090669 /nfs/dbraw/zinc/09/06/69/1076090669.db2.gz GEXBYMPHTVEWDD-UHFFFAOYSA-N 0 0 411.749 2.063 20 5 HEBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740147504 1076106003 /nfs/dbraw/zinc/10/60/03/1076106003.db2.gz HWAXBPMFKDPFHK-AWEZNQCLSA-N 0 0 408.794 2.248 20 5 HEBDRN Cc1nn(CCC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000740149523 1076107229 /nfs/dbraw/zinc/10/72/29/1076107229.db2.gz NHDBBLJYCZITGS-AWEZNQCLSA-N 0 0 424.841 2.073 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000740288982 1076138044 /nfs/dbraw/zinc/13/80/44/1076138044.db2.gz KSMGTCKKMMXMAX-ZIAGYGMSSA-N 0 0 407.423 2.430 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccnc(-n2cccn2)c1 ZINC000740341818 1076155356 /nfs/dbraw/zinc/15/53/56/1076155356.db2.gz OAAYYNJMBACEHC-GFCCVEGCSA-N 0 0 411.374 2.368 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000740511441 1076198901 /nfs/dbraw/zinc/19/89/01/1076198901.db2.gz RGXJBFJZGYKUDD-UHFFFAOYSA-N 0 0 406.439 2.485 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740650362 1076209070 /nfs/dbraw/zinc/20/90/70/1076209070.db2.gz GETZQUPZXLVDNR-UHFFFAOYSA-N 0 0 414.386 2.459 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C ZINC000766255116 1076236345 /nfs/dbraw/zinc/23/63/45/1076236345.db2.gz NJQUWSBBIGENGS-NSHDSACASA-N 0 0 408.455 2.427 20 5 HEBDRN Cc1c(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740793105 1076240213 /nfs/dbraw/zinc/24/02/13/1076240213.db2.gz HTBRSXWQJZRLOR-UHFFFAOYSA-N 0 0 407.404 2.487 20 5 HEBDRN CC(C)C[C@@]1(C)CC(=O)N(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O ZINC000740853813 1076268027 /nfs/dbraw/zinc/26/80/27/1076268027.db2.gz GITHHAXYDZBHTA-IBGZPJMESA-N 0 0 422.507 2.183 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000740860646 1076270361 /nfs/dbraw/zinc/27/03/61/1076270361.db2.gz HIXZNBVFFQTCRO-UHFFFAOYSA-N 0 0 410.390 2.268 20 5 HEBDRN CCO[C@@H]1C[C@@H](N(C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863602 1076273880 /nfs/dbraw/zinc/27/38/80/1076273880.db2.gz VFHAYEDVHIHAJR-QINHECLXSA-N 0 0 404.467 2.455 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000740869933 1076275704 /nfs/dbraw/zinc/27/57/04/1076275704.db2.gz FCTZDAHOLLCDBT-BBATYDOGSA-N 0 0 407.448 2.267 20 5 HEBDRN COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000740886410 1076284782 /nfs/dbraw/zinc/28/47/82/1076284782.db2.gz RIWKRMGKHSJEPA-UHFFFAOYSA-N 0 0 400.391 2.470 20 5 HEBDRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000740924888 1076307858 /nfs/dbraw/zinc/30/78/58/1076307858.db2.gz DLHRDQSIYLCEOS-QGZVFWFLSA-N 0 0 421.335 2.355 20 5 HEBDRN CN(C(=O)COC(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000740963228 1076314171 /nfs/dbraw/zinc/31/41/71/1076314171.db2.gz TYPWJWQILPBRJO-UHFFFAOYSA-N 0 0 413.430 2.376 20 5 HEBDRN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000741251241 1076421035 /nfs/dbraw/zinc/42/10/35/1076421035.db2.gz JGAJYNRLAKQJBZ-SNVBAGLBSA-N 0 0 423.285 2.425 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCO1 ZINC000741229198 1076424748 /nfs/dbraw/zinc/42/47/48/1076424748.db2.gz YNTMORPHZQDHOQ-ZRGWGRIASA-N 0 0 419.478 2.481 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000741230685 1076425134 /nfs/dbraw/zinc/42/51/34/1076425134.db2.gz BMOORKBKSWSMFF-HNNXBMFYSA-N 0 0 416.438 2.209 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000741258390 1076447000 /nfs/dbraw/zinc/44/70/00/1076447000.db2.gz AFNNTBMHEAGVRK-WQAKAFBOSA-N 0 0 405.270 2.449 20 5 HEBDRN CC(=O)Nc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741644016 1076568369 /nfs/dbraw/zinc/56/83/69/1076568369.db2.gz MYWUTUMBMJMYAP-AWEZNQCLSA-N 0 0 414.393 2.362 20 5 HEBDRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cn(C)nn2)NC(=O)N1CC1CC1 ZINC000741657249 1076579168 /nfs/dbraw/zinc/57/91/68/1076579168.db2.gz ZQGDGPNLENLNBK-KRWDZBQOSA-N 0 0 411.422 2.112 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000741715215 1076590363 /nfs/dbraw/zinc/59/03/63/1076590363.db2.gz VCSDFCZEBUMMBM-UHFFFAOYSA-N 0 0 400.410 2.285 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000741733712 1076613684 /nfs/dbraw/zinc/61/36/84/1076613684.db2.gz WGYBSGAJDFEOAN-UHFFFAOYSA-N 0 0 404.423 2.416 20 5 HEBDRN CCc1cc(N2CCN(CC[S@@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000741750473 1076618110 /nfs/dbraw/zinc/61/81/10/1076618110.db2.gz VVTVNDMFTLNKBQ-MUUNZHRXSA-N 0 0 403.508 2.115 20 5 HEBDRN CCCN(CC(=O)OCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741755307 1076620392 /nfs/dbraw/zinc/62/03/92/1076620392.db2.gz BXKGLAADPXJJKF-UHFFFAOYSA-N 0 0 409.258 2.321 20 5 HEBDRN COC(=O)C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21 ZINC000741792884 1076630982 /nfs/dbraw/zinc/63/09/82/1076630982.db2.gz JZHHHRADOZXVIO-LBPRGKRZSA-N 0 0 413.386 2.429 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000741820928 1076652049 /nfs/dbraw/zinc/65/20/49/1076652049.db2.gz WLUVZYUGFHXWDQ-UHFFFAOYSA-N 0 0 424.413 2.131 20 5 HEBDRN CN(C)S(=O)(=O)c1cccc(NC(=S)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000741870718 1076662602 /nfs/dbraw/zinc/66/26/02/1076662602.db2.gz ZQXPRJZYDXWZIG-UHFFFAOYSA-N 0 0 408.505 2.374 20 5 HEBDRN Cc1nnc(-c2ccc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)o1 ZINC000741942063 1076675656 /nfs/dbraw/zinc/67/56/56/1076675656.db2.gz AMQIOZNVFNHJHQ-UHFFFAOYSA-N 0 0 407.342 2.188 20 5 HEBDRN Cc1ccc(NS(C)(=O)=O)c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000742090679 1076730544 /nfs/dbraw/zinc/73/05/44/1076730544.db2.gz WYOCGHUTRKPIAM-UHFFFAOYSA-N 0 0 407.404 2.105 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742127719 1076759246 /nfs/dbraw/zinc/75/92/46/1076759246.db2.gz RAWMJNORKJFHOK-OAHLLOKOSA-N 0 0 403.439 2.482 20 5 HEBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCOC3(CCCCC3)C2)C1=O ZINC000742166511 1076761659 /nfs/dbraw/zinc/76/16/59/1076761659.db2.gz WWDWPSJVMOEWTF-IBGZPJMESA-N 0 0 402.451 2.354 20 5 HEBDRN O=C1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1cccc(F)c1 ZINC000742157091 1076770476 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411.388 2.313 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000742311771 1076827407 /nfs/dbraw/zinc/82/74/07/1076827407.db2.gz STFSCUXPCMSTKR-GFCCVEGCSA-N 0 0 415.468 2.233 20 5 HEBDRN CN(C[C@@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000742343915 1076831264 /nfs/dbraw/zinc/83/12/64/1076831264.db2.gz OGYRUGKZYNAICE-LBPRGKRZSA-N 0 0 400.457 2.010 20 5 HEBDRN COc1cccc(-c2noc(NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000742397840 1076834453 /nfs/dbraw/zinc/83/44/53/1076834453.db2.gz WWTQKZKGLKUESP-UHFFFAOYSA-N 0 0 419.419 2.044 20 5 HEBDRN CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000742427456 1076835249 /nfs/dbraw/zinc/83/52/49/1076835249.db2.gz JRSJPVBDAWPLRF-UHFFFAOYSA-N 0 0 405.423 2.427 20 5 HEBDRN CNS(=O)(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000742406506 1076835253 /nfs/dbraw/zinc/83/52/53/1076835253.db2.gz XSGAJMRTZKIZCN-VIFPVBQESA-N 0 0 412.346 2.040 20 5 HEBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000742414177 1076835890 /nfs/dbraw/zinc/83/58/90/1076835890.db2.gz VJSFJAKIBUNZJF-LJQANCHMSA-N 0 0 424.413 2.491 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000742414598 1076836132 /nfs/dbraw/zinc/83/61/32/1076836132.db2.gz XLZQFUGIACGJRH-SNVBAGLBSA-N 0 0 416.188 2.153 20 5 HEBDRN O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000742424450 1076837193 /nfs/dbraw/zinc/83/71/93/1076837193.db2.gz DRELVKOUJJAULL-UHFFFAOYSA-N 0 0 423.413 2.394 20 5 HEBDRN O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742449307 1076838969 /nfs/dbraw/zinc/83/89/69/1076838969.db2.gz ZMMVPTZJJZXHPA-UHFFFAOYSA-N 0 0 416.400 2.188 20 5 HEBDRN CN(CC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000742496817 1076845068 /nfs/dbraw/zinc/84/50/68/1076845068.db2.gz WTHHMHHDUVYHBM-UHFFFAOYSA-N 0 0 413.459 2.452 20 5 HEBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCCc2ccccc2)CC1 ZINC000742564399 1076849486 /nfs/dbraw/zinc/84/94/86/1076849486.db2.gz GULIEXSUEYNCJE-UHFFFAOYSA-N 0 0 405.476 2.470 20 5 HEBDRN CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742632604 1076859588 /nfs/dbraw/zinc/85/95/88/1076859588.db2.gz FDRXQISUMDMHBS-UHFFFAOYSA-N 0 0 421.269 2.464 20 5 HEBDRN COc1cccc([C@@H](OC)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001129326825 1076876158 /nfs/dbraw/zinc/87/61/58/1076876158.db2.gz RIEYWHXLFVDAIU-LJQANCHMSA-N 0 0 413.430 2.276 20 5 HEBDRN CC(=O)Nc1ccc(OC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000742836831 1076885702 /nfs/dbraw/zinc/88/57/02/1076885702.db2.gz UQROPWPVBPTARO-UHFFFAOYSA-N 0 0 404.354 2.097 20 5 HEBDRN COc1ccc(C(=O)NCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000742830341 1076887353 /nfs/dbraw/zinc/88/73/53/1076887353.db2.gz OOHKCIGYEIGVGB-AWEZNQCLSA-N 0 0 401.419 2.225 20 5 HEBDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000742881995 1076888869 /nfs/dbraw/zinc/88/88/69/1076888869.db2.gz DVOSKQRVQASTAZ-INIZCTEOSA-N 0 0 400.453 2.111 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C)c2cc(F)ccc21 ZINC000742913425 1076891342 /nfs/dbraw/zinc/89/13/42/1076891342.db2.gz KAZLYPPTZDZPED-UHFFFAOYSA-N 0 0 403.366 2.417 20 5 HEBDRN O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000742895745 1076893626 /nfs/dbraw/zinc/89/36/26/1076893626.db2.gz KXTNNOWLIVTOLX-OLMNPRSZSA-N 0 0 410.386 2.390 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000742995610 1076915596 /nfs/dbraw/zinc/91/55/96/1076915596.db2.gz QROJLSOICLTLIB-DZGCQCFKSA-N 0 0 400.387 2.405 20 5 HEBDRN Cc1c(CS(=O)(=O)CCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000743040097 1076933547 /nfs/dbraw/zinc/93/35/47/1076933547.db2.gz KZPAHAZPNMGDGO-UHFFFAOYSA-N 0 0 413.473 2.301 20 5 HEBDRN Cc1cc(C)cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000743251955 1077014492 /nfs/dbraw/zinc/01/44/92/1077014492.db2.gz HHIXIVGTVAHQSU-HXUWFJFHSA-N 0 0 419.503 2.252 20 5 HEBDRN Cc1c(Br)cc(S(=O)(=O)NCCOc2cccnc2)cc1[N+](=O)[O-] ZINC000743345217 1077027169 /nfs/dbraw/zinc/02/71/69/1077027169.db2.gz STDDTWQDFALOJR-UHFFFAOYSA-N 0 0 416.253 2.418 20 5 HEBDRN CN(CC(=O)Oc1cccc2ncccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737501648 1077034847 /nfs/dbraw/zinc/03/48/47/1077034847.db2.gz DOTGTSYOBUPKHP-UHFFFAOYSA-N 0 0 401.400 2.369 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000743378875 1077045372 /nfs/dbraw/zinc/04/53/72/1077045372.db2.gz AZPWIODKTZITPH-UHFFFAOYSA-N 0 0 422.397 2.163 20 5 HEBDRN Nn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1[C@H]1CCCCO1 ZINC000743458752 1077054101 /nfs/dbraw/zinc/05/41/01/1077054101.db2.gz YVVLMIQZCYHMBS-CQSZACIVSA-N 0 0 420.451 2.232 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@@H]3CCCCO3)n2N)c([N+](=O)[O-])c1 ZINC000743458385 1077054294 /nfs/dbraw/zinc/05/42/94/1077054294.db2.gz WIKOKPFYXSBSFH-YGRLFVJLSA-N 0 0 422.467 2.270 20 5 HEBDRN Nn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1[C@@H]1CCCCO1 ZINC000743459353 1077054301 /nfs/dbraw/zinc/05/43/01/1077054301.db2.gz FFPWEOOAWPYPTB-UONOGXRCSA-N 0 0 404.452 2.039 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000743487862 1077059575 /nfs/dbraw/zinc/05/95/75/1077059575.db2.gz KBNJGYBCZFRSKJ-LLVKDONJSA-N 0 0 400.391 2.398 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)o1 ZINC000743518630 1077062839 /nfs/dbraw/zinc/06/28/39/1077062839.db2.gz ZILYDZYZNYYYLE-GOSISDBHSA-N 0 0 407.448 2.020 20 5 HEBDRN COC(=O)N1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000743581402 1077072516 /nfs/dbraw/zinc/07/25/16/1077072516.db2.gz VWYCRFPAXQMTIP-CQSZACIVSA-N 0 0 406.439 2.378 20 5 HEBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cn1C ZINC000743758678 1077102399 /nfs/dbraw/zinc/10/23/99/1077102399.db2.gz RKRNDQLXTWBWFH-UHFFFAOYSA-N 0 0 402.407 2.199 20 5 HEBDRN CCc1nsc(N2CCCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000743804405 1077125859 /nfs/dbraw/zinc/12/58/59/1077125859.db2.gz NFCKXUZJYZOYDD-UHFFFAOYSA-N 0 0 409.443 2.266 20 5 HEBDRN COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000743821887 1077134929 /nfs/dbraw/zinc/13/49/29/1077134929.db2.gz XHALQKAYXCKOOV-MRXNPFEDSA-N 0 0 419.821 2.399 20 5 HEBDRN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000743876803 1077159141 /nfs/dbraw/zinc/15/91/41/1077159141.db2.gz JBNXJTXTMUDHGD-UHFFFAOYSA-N 0 0 409.489 2.365 20 5 HEBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1C1CCCCC1 ZINC000743879437 1077162163 /nfs/dbraw/zinc/16/21/63/1077162163.db2.gz CJNPQJSKQAGCSZ-UHFFFAOYSA-N 0 0 400.439 2.463 20 5 HEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743897912 1077211266 /nfs/dbraw/zinc/21/12/66/1077211266.db2.gz AHPKBRXVXUPRDK-UHFFFAOYSA-N 0 0 400.460 2.403 20 5 HEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743898910 1077213022 /nfs/dbraw/zinc/21/30/22/1077213022.db2.gz KTGRFJMHRGTDMI-UHFFFAOYSA-N 0 0 400.460 2.403 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000743938000 1077230198 /nfs/dbraw/zinc/23/01/98/1077230198.db2.gz FSZIBNSTNDMSBD-LBPRGKRZSA-N 0 0 422.438 2.010 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743953207 1077261468 /nfs/dbraw/zinc/26/14/68/1077261468.db2.gz QEIJCUYQIUTLRT-UHFFFAOYSA-N 0 0 414.487 2.445 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000743959346 1077266730 /nfs/dbraw/zinc/26/67/30/1077266730.db2.gz CUPIXYCROIMXIZ-UHFFFAOYSA-N 0 0 408.409 2.210 20 5 HEBDRN Cc1c(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000743948454 1077277712 /nfs/dbraw/zinc/27/77/12/1077277712.db2.gz GCGVHZQSVNSPCG-UHFFFAOYSA-N 0 0 406.439 2.357 20 5 HEBDRN C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000744031553 1077299396 /nfs/dbraw/zinc/29/93/96/1077299396.db2.gz MQABCAAOKNMUQA-ZIAGYGMSSA-N 0 0 412.464 2.347 20 5 HEBDRN COc1ccc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)cc1N1CCNC1=O ZINC000744074705 1077313109 /nfs/dbraw/zinc/31/31/09/1077313109.db2.gz OPJIHKCZUPXWDC-UHFFFAOYSA-N 0 0 414.418 2.426 20 5 HEBDRN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cn(Cc2ccccn2)nn1 ZINC000744088246 1077316503 /nfs/dbraw/zinc/31/65/03/1077316503.db2.gz JNAIVIOZXFRQEA-UHFFFAOYSA-N 0 0 423.433 2.098 20 5 HEBDRN Cc1nn(-c2ccccc2)cc1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744148272 1077331267 /nfs/dbraw/zinc/33/12/67/1077331267.db2.gz LIGKWGPBUJGQMX-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN Cc1nn(C)c2sc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc12 ZINC000744149433 1077331446 /nfs/dbraw/zinc/33/14/46/1077331446.db2.gz XVWKQGVVKUZUMW-UHFFFAOYSA-N 0 0 403.420 2.219 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)[C@@H]3CCN(C)C(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000744203731 1077339430 /nfs/dbraw/zinc/33/94/30/1077339430.db2.gz 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20 5 HEBDRN CCCCOC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000744509370 1077426599 /nfs/dbraw/zinc/42/65/99/1077426599.db2.gz KTDOLXWNODJHML-ZDUSSCGKSA-N 0 0 403.391 2.338 20 5 HEBDRN CCCCOC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000744514390 1077431181 /nfs/dbraw/zinc/43/11/81/1077431181.db2.gz HHVQHVJJPIFLCD-CQSZACIVSA-N 0 0 421.450 2.152 20 5 HEBDRN CCOc1cc(C(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)c([N+](=O)[O-])cc1OC ZINC000744517835 1077435155 /nfs/dbraw/zinc/43/51/55/1077435155.db2.gz DXVPMNLGTZBWGO-CQSZACIVSA-N 0 0 418.406 2.088 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1OC ZINC000744520262 1077436883 /nfs/dbraw/zinc/43/68/83/1077436883.db2.gz GKCONFWQIZAHPX-AWEZNQCLSA-N 0 0 418.406 2.088 20 5 HEBDRN CCOc1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000744576545 1077492633 /nfs/dbraw/zinc/49/26/33/1077492633.db2.gz VZUASPGWTDJMNP-GFCCVEGCSA-N 0 0 402.407 2.378 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1c1ncccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744660368 1077528871 /nfs/dbraw/zinc/52/88/71/1077528871.db2.gz RVHPFORWQFCHLB-BXUZGUMPSA-N 0 0 403.370 2.063 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000744661940 1077530207 /nfs/dbraw/zinc/53/02/07/1077530207.db2.gz QODFUNISALYAGZ-CYBMUJFWSA-N 0 0 401.423 2.270 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Br ZINC000744661897 1077530400 /nfs/dbraw/zinc/53/04/00/1077530400.db2.gz MYZFBIQFGNIYCT-VIFPVBQESA-N 0 0 411.212 2.433 20 5 HEBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000744663099 1077530818 /nfs/dbraw/zinc/53/08/18/1077530818.db2.gz FGSRPXIOSGVAHQ-UHFFFAOYSA-N 0 0 400.347 2.366 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000744667462 1077533177 /nfs/dbraw/zinc/53/31/77/1077533177.db2.gz UYJWCSICQBSDDF-KRWDZBQOSA-N 0 0 424.475 2.441 20 5 HEBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744717847 1077553344 /nfs/dbraw/zinc/55/33/44/1077553344.db2.gz BIIFRDDSMXXDCP-SNVBAGLBSA-N 0 0 416.781 2.408 20 5 HEBDRN Cc1cnc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000744853960 1077622564 /nfs/dbraw/zinc/62/25/64/1077622564.db2.gz KTYDUTQHNIMMQL-CYBMUJFWSA-N 0 0 409.420 2.035 20 5 HEBDRN COc1cc(OCC(=O)OCC(=O)Nc2cc(C)nn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000744872211 1077630492 /nfs/dbraw/zinc/63/04/92/1077630492.db2.gz GROQKHXOQNAAPK-UHFFFAOYSA-N 0 0 420.422 2.424 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744977889 1077690935 /nfs/dbraw/zinc/69/09/35/1077690935.db2.gz ZQUAJHYDURCVRG-BXUZGUMPSA-N 0 0 409.464 2.413 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(C)CC1 ZINC000745030118 1077711023 /nfs/dbraw/zinc/71/10/23/1077711023.db2.gz SZOMFQHATBKUSJ-ZIAGYGMSSA-N 0 0 423.491 2.451 20 5 HEBDRN 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CC(C)NC(=O)c1ccc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000772297513 1079799900 /nfs/dbraw/zinc/79/99/00/1079799900.db2.gz UKZBPBUZDYLWSE-HNNXBMFYSA-N 0 0 422.482 2.463 20 5 HEBDRN CS(=O)(=O)Nc1ccc(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1 ZINC000767310795 1079812484 /nfs/dbraw/zinc/81/24/84/1079812484.db2.gz VONQGMKBTGUZSO-UHFFFAOYSA-N 0 0 417.491 2.261 20 5 HEBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767316800 1079815498 /nfs/dbraw/zinc/81/54/98/1079815498.db2.gz YOUSLLZEQJAUOR-UHFFFAOYSA-N 0 0 420.491 2.439 20 5 HEBDRN Cc1cc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000767403347 1079835489 /nfs/dbraw/zinc/83/54/89/1079835489.db2.gz WRFYQEGZSCNDRN-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN Cc1c(-c2cc(COC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)on2)cnn1C ZINC000767408523 1079836628 /nfs/dbraw/zinc/83/66/28/1079836628.db2.gz KIVBJVRHDKSGEF-UHFFFAOYSA-N 0 0 413.390 2.073 20 5 HEBDRN COc1ccc(COC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)nc1 ZINC000767441680 1079849860 /nfs/dbraw/zinc/84/98/60/1079849860.db2.gz YOMZLWRALONUAK-UHFFFAOYSA-N 0 0 414.418 2.024 20 5 HEBDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000772371563 1079851297 /nfs/dbraw/zinc/85/12/97/1079851297.db2.gz LMRDVHOWIDRQNE-TUXXCZFBSA-N 0 0 421.425 2.325 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000767444686 1079852322 /nfs/dbraw/zinc/85/23/22/1079852322.db2.gz QZFJOJPBCWSTSJ-SWLSCSKDSA-N 0 0 423.422 2.101 20 5 HEBDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767429806 1079858977 /nfs/dbraw/zinc/85/89/77/1079858977.db2.gz AQGFGJGNHPQDLR-KRWDZBQOSA-N 0 0 422.482 2.173 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000767470071 1079870657 /nfs/dbraw/zinc/87/06/57/1079870657.db2.gz HLOUXNCBYRZTTN-CQSZACIVSA-N 0 0 411.436 2.465 20 5 HEBDRN O=C(COC(=O)c1ccnn1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000767459995 1079884163 /nfs/dbraw/zinc/88/41/63/1079884163.db2.gz VCHQARATDKRCRZ-UHFFFAOYSA-N 0 0 402.363 2.431 20 5 HEBDRN O=C(COC(=O)c1ccn(Cc2ccccc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000772471816 1079892930 /nfs/dbraw/zinc/89/29/30/1079892930.db2.gz OXRAZPFUTBOOLQ-UHFFFAOYSA-N 0 0 424.369 2.364 20 5 HEBDRN Cn1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772579936 1079940209 /nfs/dbraw/zinc/94/02/09/1079940209.db2.gz LEAZZSRLSXSXMS-IBGZPJMESA-N 0 0 424.461 2.315 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c3c(nn2C)CCCC3)c([N+](=O)[O-])c1 ZINC000767586535 1079971264 /nfs/dbraw/zinc/97/12/64/1079971264.db2.gz GNBUIBMHWSQBJO-LLVKDONJSA-N 0 0 402.407 2.400 20 5 HEBDRN COc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000767605980 1080002457 /nfs/dbraw/zinc/00/24/57/1080002457.db2.gz PYXMACPIQWBLMJ-UHFFFAOYSA-N 0 0 420.403 2.171 20 5 HEBDRN CN1CCCc2ccc(S(=O)(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc21 ZINC000767622498 1080014216 /nfs/dbraw/zinc/01/42/16/1080014216.db2.gz FKBAHZVALURQSQ-UHFFFAOYSA-N 0 0 401.448 2.332 20 5 HEBDRN O=C(CCS(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCc1ccccc1 ZINC000767622606 1080014276 /nfs/dbraw/zinc/01/42/76/1080014276.db2.gz HCZGVVRBZYGJHF-UHFFFAOYSA-N 0 0 418.431 2.024 20 5 HEBDRN CC1(c2ccc(S(=O)(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)OCCO1 ZINC000767672653 1080019437 /nfs/dbraw/zinc/01/94/37/1080019437.db2.gz ODORCBVLZWDPFN-UHFFFAOYSA-N 0 0 407.448 2.205 20 5 HEBDRN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767681914 1080037986 /nfs/dbraw/zinc/03/79/86/1080037986.db2.gz DPFDGURYCZXREF-MRXNPFEDSA-N 0 0 413.434 2.289 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cnc(N2CCOCC2)s1 ZINC000785532057 1080041663 /nfs/dbraw/zinc/04/16/63/1080041663.db2.gz WWGXAQGBGIIBBZ-UHFFFAOYSA-N 0 0 401.448 2.159 20 5 HEBDRN CCn1c(=O)oc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3C(C)=O)ccc21 ZINC000767827582 1080137951 /nfs/dbraw/zinc/13/79/51/1080137951.db2.gz PTYFKLRDHONCGS-UHFFFAOYSA-N 0 0 406.372 2.493 20 5 HEBDRN COCc1cccc(CNC(=O)COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000785679706 1080157907 /nfs/dbraw/zinc/15/79/07/1080157907.db2.gz XOPXRGGEGHPMOD-UHFFFAOYSA-N 0 0 424.413 2.400 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000767855211 1080176203 /nfs/dbraw/zinc/17/62/03/1080176203.db2.gz VGMOIHRZQJHRMG-RYUDHWBXSA-N 0 0 423.310 2.252 20 5 HEBDRN CCOC(=O)NCC(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000785669897 1080189655 /nfs/dbraw/zinc/18/96/55/1080189655.db2.gz LWPTUGYOBDTWEW-SNVBAGLBSA-N 0 0 422.419 2.335 20 5 HEBDRN O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000785731153 1080205042 /nfs/dbraw/zinc/20/50/42/1080205042.db2.gz CUQYLRZDYKJJBD-KRWDZBQOSA-N 0 0 404.806 2.284 20 5 HEBDRN COC(=O)CNC(=O)c1ccc(N[C@H](C)[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000785826133 1080261377 /nfs/dbraw/zinc/26/13/77/1080261377.db2.gz KMABRJSAYYPQDL-ZMZPIMSZSA-N 0 0 405.382 2.171 20 5 HEBDRN CC(=O)Nc1cccc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000785884536 1080275512 /nfs/dbraw/zinc/27/55/12/1080275512.db2.gz DVPUNADCROXFJO-UHFFFAOYSA-N 0 0 400.391 2.229 20 5 HEBDRN COc1cccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000768031756 1080295112 /nfs/dbraw/zinc/29/51/12/1080295112.db2.gz RFTPTCWJYIQTCM-IUODEOHRSA-N 0 0 409.439 2.358 20 5 HEBDRN O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCC2(CC1)OCCO2 ZINC000785937891 1080307479 /nfs/dbraw/zinc/30/74/79/1080307479.db2.gz WBTHGABLVYNKKO-UHFFFAOYSA-N 0 0 412.826 2.136 20 5 HEBDRN O=C(COC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCNC1=O ZINC000768092694 1080323510 /nfs/dbraw/zinc/32/35/10/1080323510.db2.gz CFDDRGQBFSVGGQ-UHFFFAOYSA-N 0 0 401.400 2.455 20 5 HEBDRN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000768118682 1080334265 /nfs/dbraw/zinc/33/42/65/1080334265.db2.gz MWQNPIMZOSWARH-GFCCVEGCSA-N 0 0 405.794 2.315 20 5 HEBDRN COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000768113823 1080347999 /nfs/dbraw/zinc/34/79/99/1080347999.db2.gz SXHGDZMKZRRJDJ-INIZCTEOSA-N 0 0 412.446 2.439 20 5 HEBDRN CO[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CC[C@@H]1C ZINC000785998371 1080356977 /nfs/dbraw/zinc/35/69/77/1080356977.db2.gz AMFGBXJGIDKUIE-XPTSAGLGSA-N 0 0 414.256 2.488 20 5 HEBDRN Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000768156601 1080375296 /nfs/dbraw/zinc/37/52/96/1080375296.db2.gz ORVSQTSALOEWMH-UHFFFAOYSA-N 0 0 420.447 2.318 20 5 HEBDRN O=C(CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000768201183 1080391867 /nfs/dbraw/zinc/39/18/67/1080391867.db2.gz UBIFISPLXXVUNT-UHFFFAOYSA-N 0 0 411.300 2.097 20 5 HEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC1N=NC(=S)N1C ZINC000786108140 1080400757 /nfs/dbraw/zinc/40/07/57/1080400757.db2.gz YTLUWCZUMHWCOV-UHFFFAOYSA-N 0 0 400.258 2.055 20 5 HEBDRN NC(=O)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000786128080 1080449009 /nfs/dbraw/zinc/44/90/09/1080449009.db2.gz WLQGBUISRHQEPZ-UHFFFAOYSA-N 0 0 421.793 2.298 20 5 HEBDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786132476 1080453823 /nfs/dbraw/zinc/45/38/23/1080453823.db2.gz FSDLXBKDJDZRAR-SCLBCKFNSA-N 0 0 424.417 2.244 20 5 HEBDRN O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000786198170 1080468977 /nfs/dbraw/zinc/46/89/77/1080468977.db2.gz SIIHHQMGEHTNDJ-BZNIZROVSA-N 0 0 417.372 2.474 20 5 HEBDRN O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000772680010 1080477188 /nfs/dbraw/zinc/47/71/88/1080477188.db2.gz FKZJSPFZKLCMIP-UHFFFAOYSA-N 0 0 417.376 2.498 20 5 HEBDRN CCOc1ccc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc1[N+](=O)[O-] ZINC000786231515 1080509587 /nfs/dbraw/zinc/50/95/87/1080509587.db2.gz DGNIHISOOSYALD-UHFFFAOYSA-N 0 0 410.452 2.185 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000786230261 1080509833 /nfs/dbraw/zinc/50/98/33/1080509833.db2.gz JAWKBJUPSNLOKX-UHFFFAOYSA-N 0 0 400.844 2.440 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000786235937 1080512116 /nfs/dbraw/zinc/51/21/16/1080512116.db2.gz HPZLNJANGCWORR-UHFFFAOYSA-N 0 0 410.452 2.104 20 5 HEBDRN C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NCC(=O)c1ccccc1 ZINC000786283573 1080528587 /nfs/dbraw/zinc/52/85/87/1080528587.db2.gz BMEYWJZGTBEEGH-AWEZNQCLSA-N 0 0 422.397 2.325 20 5 HEBDRN C[C@H](OC(=O)CNc1ccc(C(N)=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786283081 1080529156 /nfs/dbraw/zinc/52/91/56/1080529156.db2.gz DFOCCJWEXNPDJF-NSHDSACASA-N 0 0 411.374 2.460 20 5 HEBDRN C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC(=O)c1ccccc1 ZINC000786305069 1080546197 /nfs/dbraw/zinc/54/61/97/1080546197.db2.gz DZIFQWMOYHIPDQ-CQSZACIVSA-N 0 0 422.397 2.325 20 5 HEBDRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2N)c1 ZINC000768433835 1080554142 /nfs/dbraw/zinc/55/41/42/1080554142.db2.gz LKWGZNWCHCYDIM-UHFFFAOYSA-N 0 0 418.410 2.446 20 5 HEBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1ccc(C(F)(F)F)cn1 ZINC000768419747 1080572761 /nfs/dbraw/zinc/57/27/61/1080572761.db2.gz ACRFUUADJOPXDD-UHFFFAOYSA-N 0 0 411.292 2.477 20 5 HEBDRN COc1cc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)cc1[N+](=O)[O-] ZINC000768485677 1080578817 /nfs/dbraw/zinc/57/88/17/1080578817.db2.gz WOCSNJPDNQEHTD-UHFFFAOYSA-N 0 0 414.371 2.041 20 5 HEBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCc1ccc(C(F)(F)F)cn1 ZINC000768457580 1080580883 /nfs/dbraw/zinc/58/08/83/1080580883.db2.gz GTMVOUKHAWCBFN-UHFFFAOYSA-N 0 0 409.276 2.348 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)NCC1(c2ccccc2)CCCC1 ZINC000768460369 1080582171 /nfs/dbraw/zinc/58/21/71/1080582171.db2.gz QVBVKGLUWQGDPJ-UHFFFAOYSA-N 0 0 400.391 2.293 20 5 HEBDRN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000768463367 1080584634 /nfs/dbraw/zinc/58/46/34/1080584634.db2.gz SDVJHAXFJADEPT-UHFFFAOYSA-N 0 0 412.152 2.319 20 5 HEBDRN O=C1c2ccccc2/C(=C/NCCn2cc([N+](=O)[O-])cn2)C(=O)N1c1ccccn1 ZINC000768468329 1080587068 /nfs/dbraw/zinc/58/70/68/1080587068.db2.gz WKIZYLYLDFEGQK-ATVHPVEESA-N 0 0 404.386 2.004 20 5 HEBDRN Cc1cc(C)[nH]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000768498127 1080593051 /nfs/dbraw/zinc/59/30/51/1080593051.db2.gz UZQYKRNUOSCYEI-UHFFFAOYSA-N 0 0 402.230 2.070 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000786470265 1080612570 /nfs/dbraw/zinc/61/25/70/1080612570.db2.gz GCCSSDPUBPHPMG-JHJVBQTASA-N 0 0 423.422 2.391 20 5 HEBDRN O=C(NCCOC(=O)c1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000786449773 1080635261 /nfs/dbraw/zinc/63/52/61/1080635261.db2.gz UWVIZHXYXWBRTF-UHFFFAOYSA-N 0 0 415.793 2.416 20 5 HEBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2[N+](=O)[O-])C1 ZINC000768586050 1080666913 /nfs/dbraw/zinc/66/69/13/1080666913.db2.gz NLMKZLLNKNFVGE-CYBMUJFWSA-N 0 0 402.411 2.366 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000768588005 1080668797 /nfs/dbraw/zinc/66/87/97/1080668797.db2.gz BUQRAYQFEIKMSC-MRXNPFEDSA-N 0 0 401.467 2.337 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786581717 1080671406 /nfs/dbraw/zinc/67/14/06/1080671406.db2.gz MOAMGPIKIIDUOD-BXKDBHETSA-N 0 0 403.313 2.018 20 5 HEBDRN Cn1c2cc([N+](=O)[O-])c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2n(C)c1=O ZINC000786561122 1080687726 /nfs/dbraw/zinc/68/77/26/1080687726.db2.gz MJXSCKHFCMASSK-UHFFFAOYSA-N 0 0 412.406 2.020 20 5 HEBDRN Cc1ccc(Br)nc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000786612571 1080708875 /nfs/dbraw/zinc/70/88/75/1080708875.db2.gz VRBGVJIMAJNVTG-UHFFFAOYSA-N 0 0 406.240 2.418 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ncn(-c2ccccc2)n1 ZINC000768693378 1080712134 /nfs/dbraw/zinc/71/21/34/1080712134.db2.gz UBWZPTFXZXQKFI-LBPRGKRZSA-N 0 0 411.374 2.368 20 5 HEBDRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)C2=O ZINC000768702510 1080715614 /nfs/dbraw/zinc/71/56/14/1080715614.db2.gz GEDIBUFWGAMRLD-FQEVSTJZSA-N 0 0 417.418 2.212 20 5 HEBDRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C2=O ZINC000768710772 1080726962 /nfs/dbraw/zinc/72/69/62/1080726962.db2.gz VSMYXPODBVOXCM-FQEVSTJZSA-N 0 0 417.418 2.212 20 5 HEBDRN CSCC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000768800081 1080777752 /nfs/dbraw/zinc/77/77/52/1080777752.db2.gz XDMQUTFUZVCHQC-NSHDSACASA-N 0 0 413.506 2.472 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000768810794 1080787782 /nfs/dbraw/zinc/78/77/82/1080787782.db2.gz PGRHWAXSKNNYRN-HNNXBMFYSA-N 0 0 415.468 2.147 20 5 HEBDRN 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COCCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836775 1080818178 /nfs/dbraw/zinc/81/81/78/1080818178.db2.gz IJZOGYRLJTYMID-UHFFFAOYSA-N 0 0 400.434 2.222 20 5 HEBDRN COC(=O)CCCOc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768836759 1080818776 /nfs/dbraw/zinc/81/87/76/1080818776.db2.gz XXVUXHWJZYXOLV-UHFFFAOYSA-N 0 0 414.461 2.467 20 5 HEBDRN O=C1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1c1ccccc1Cl ZINC000768838387 1080818850 /nfs/dbraw/zinc/81/88/50/1080818850.db2.gz SYNAFSYNFFWOTD-LLVKDONJSA-N 0 0 401.853 2.394 20 5 HEBDRN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786827454 1080827285 /nfs/dbraw/zinc/82/72/85/1080827285.db2.gz NRMAXFQBVLNGRQ-UHFFFAOYSA-N 0 0 406.464 2.184 20 5 HEBDRN O=C(C[C@@H]1COCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000768886371 1080832697 /nfs/dbraw/zinc/83/26/97/1080832697.db2.gz CJGKWWWYVYORQA-SNVBAGLBSA-N 0 0 402.475 2.380 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cs1 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412.784 2.021 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164989367 722180399 /nfs/dbraw/zinc/18/03/99/722180399.db2.gz MEALSAQKHVQYCD-RDJZCZTQSA-N 0 0 404.496 2.328 20 5 HEBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165003746 722261885 /nfs/dbraw/zinc/26/18/85/722261885.db2.gz KDGQCBANRZRGHE-LJQANCHMSA-N 0 0 403.389 2.196 20 5 HEBDRN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000745538060 1078529139 /nfs/dbraw/zinc/52/91/39/1078529139.db2.gz UPNQWTJUWSIJNI-UOPFFVFUSA-N 0 0 406.416 2.131 20 5 HEBDRN CNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1C ZINC000769718854 1078534574 /nfs/dbraw/zinc/53/45/74/1078534574.db2.gz CYELWMZQUYMZML-UHFFFAOYSA-N 0 0 408.392 2.280 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1 ZINC000745517312 1078534885 /nfs/dbraw/zinc/53/48/85/1078534885.db2.gz SXAHZXRJYFMVMI-UHFFFAOYSA-N 0 0 414.378 2.209 20 5 HEBDRN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000769759195 1078543570 /nfs/dbraw/zinc/54/35/70/1078543570.db2.gz YWBNWBDIXUFVCE-VLXJIEOASA-N 0 0 423.466 2.258 20 5 HEBDRN COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000769723474 1078536180 /nfs/dbraw/zinc/53/61/80/1078536180.db2.gz MQAGLYSBMJSJET-ZDUSSCGKSA-N 0 0 403.229 2.396 20 5 HEBDRN COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000769723473 1078536209 /nfs/dbraw/zinc/53/62/09/1078536209.db2.gz MQAGLYSBMJSJET-CYBMUJFWSA-N 0 0 403.229 2.396 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000745516971 1078536501 /nfs/dbraw/zinc/53/65/01/1078536501.db2.gz FCPWEERLEFSHDR-UHFFFAOYSA-N 0 0 423.813 2.250 20 5 HEBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCCNC(=O)c1ccccc1C(F)(F)F ZINC000769768737 1078547592 /nfs/dbraw/zinc/54/75/92/1078547592.db2.gz BBTTZLBRYNJDQC-UHFFFAOYSA-N 0 0 400.313 2.173 20 5 HEBDRN C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000745569350 1078548762 /nfs/dbraw/zinc/54/87/62/1078548762.db2.gz XXQNJYMGQIRLBP-ZETCQYMHSA-N 0 0 424.295 2.464 20 5 HEBDRN COC(=O)c1sccc1NC(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745616637 1078560535 /nfs/dbraw/zinc/56/05/35/1078560535.db2.gz ABHSEDMWULAWSH-UHFFFAOYSA-N 0 0 407.404 2.061 20 5 HEBDRN CN(CC(=O)OCC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000745619462 1078561863 /nfs/dbraw/zinc/56/18/63/1078561863.db2.gz XFJGPMNPLVUDFL-UHFFFAOYSA-N 0 0 423.223 2.370 20 5 HEBDRN Cc1ccn2c(=O)cc(COC(=O)c3cc(Br)ncc3[N+](=O)[O-])nc2c1 ZINC000769824216 1078562101 /nfs/dbraw/zinc/56/21/01/1078562101.db2.gz BVOIUYIQLOQRBB-UHFFFAOYSA-N 0 0 419.191 2.426 20 5 HEBDRN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1 ZINC000745614188 1078567379 /nfs/dbraw/zinc/56/73/79/1078567379.db2.gz DTHCEVAFDVHAHM-AWEZNQCLSA-N 0 0 403.410 2.461 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)CN(C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000745615436 1078567400 /nfs/dbraw/zinc/56/74/00/1078567400.db2.gz WWJVZONEXAYWJL-UHFFFAOYSA-N 0 0 418.362 2.130 20 5 HEBDRN CN(CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC000745614143 1078567416 /nfs/dbraw/zinc/56/74/16/1078567416.db2.gz CEELLWSMEZGQTJ-UHFFFAOYSA-N 0 0 414.374 2.072 20 5 HEBDRN C[C@H](OC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000745642478 1078571823 /nfs/dbraw/zinc/57/18/23/1078571823.db2.gz WDJOLVHJZSQYGL-LBPRGKRZSA-N 0 0 410.386 2.376 20 5 HEBDRN O=C(OCc1cc(=O)n2ccccc2n1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769837127 1078598668 /nfs/dbraw/zinc/59/86/68/1078598668.db2.gz NFXGBOVXOULREE-UHFFFAOYSA-N 0 0 405.164 2.117 20 5 HEBDRN O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769836017 1078598771 /nfs/dbraw/zinc/59/87/71/1078598771.db2.gz YFXUXXPLDJXIHU-QMMMGPOBSA-N 0 0 412.118 2.072 20 5 HEBDRN Cc1cnc(OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000769852506 1078612704 /nfs/dbraw/zinc/61/27/04/1078612704.db2.gz QZPSPQOKEZKKRW-HNNXBMFYSA-N 0 0 421.406 2.160 20 5 HEBDRN COc1cccc(C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)c1[N+](=O)[O-] ZINC000769900626 1078622229 /nfs/dbraw/zinc/62/22/29/1078622229.db2.gz QJKJEQVQBQZEJH-UHFFFAOYSA-N 0 0 406.449 2.320 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCOC(C)C)CC1 ZINC000769906405 1078627668 /nfs/dbraw/zinc/62/76/68/1078627668.db2.gz LXAPMIUBVPVQIG-UHFFFAOYSA-N 0 0 405.904 2.288 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000769907288 1078628774 /nfs/dbraw/zinc/62/87/74/1078628774.db2.gz PDQWJAOWLKUXJT-NSHDSACASA-N 0 0 418.928 2.354 20 5 HEBDRN CNC(=O)[C@@H](NC(=O)COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000769881344 1078641858 /nfs/dbraw/zinc/64/18/58/1078641858.db2.gz IBKFJXOMVAQYEJ-SFHVURJKSA-N 0 0 413.430 2.280 20 5 HEBDRN O=C(O[C@@H]1CCNC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000769967811 1078658617 /nfs/dbraw/zinc/65/86/17/1078658617.db2.gz VBAWLMUDRGLTHQ-CQSZACIVSA-N 0 0 401.341 2.262 20 5 HEBDRN CC(C)(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000769927069 1078661915 /nfs/dbraw/zinc/66/19/15/1078661915.db2.gz SCIOSZUOYHIIMB-UHFFFAOYSA-N 0 0 401.460 2.487 20 5 HEBDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000770012279 1078667337 /nfs/dbraw/zinc/66/73/37/1078667337.db2.gz ZXSRGFCYZYSFNH-UHFFFAOYSA-N 0 0 402.791 2.356 20 5 HEBDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770012682 1078667409 /nfs/dbraw/zinc/66/74/09/1078667409.db2.gz FNLSFWYOJPWPCM-ZDUSSCGKSA-N 0 0 409.874 2.409 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000745861054 1078676936 /nfs/dbraw/zinc/67/69/36/1078676936.db2.gz AYSFOOHRZNDQTH-ZDUSSCGKSA-N 0 0 402.382 2.385 20 5 HEBDRN O=C(OC[C@H]1CCCS1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000745961001 1078709691 /nfs/dbraw/zinc/70/96/91/1078709691.db2.gz QSFMNQZOKQKDAX-DZGCQCFKSA-N 0 0 414.505 2.434 20 5 HEBDRN CCOC(=O)N1CC[C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000770086738 1078712972 /nfs/dbraw/zinc/71/29/72/1078712972.db2.gz LSYZAKDFQHELDX-QGZVFWFLSA-N 0 0 415.450 2.417 20 5 HEBDRN Cn1ccnc1N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000745972771 1078714845 /nfs/dbraw/zinc/71/48/45/1078714845.db2.gz DXEVOSGGXRYHGE-UHFFFAOYSA-N 0 0 413.219 2.260 20 5 HEBDRN Cc1cc(=O)c(C(=O)NC[C@@](C)(O)c2ccsc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000746010617 1078730760 /nfs/dbraw/zinc/73/07/60/1078730760.db2.gz CMRINFGQCXFBCE-LJQANCHMSA-N 0 0 414.443 2.148 20 5 HEBDRN C[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2NC1=O ZINC000745985445 1078727237 /nfs/dbraw/zinc/72/72/37/1078727237.db2.gz IPCZDPPXBMPYGT-INIZCTEOSA-N 0 0 423.473 2.338 20 5 HEBDRN Nc1ncnc2c1ncn2CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770155785 1078756607 /nfs/dbraw/zinc/75/66/07/1078756607.db2.gz DCZGHBKOKKXKRM-UHFFFAOYSA-N 0 0 421.211 2.326 20 5 HEBDRN COC[C@@H](Cn1cncn1)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000770158763 1078758110 /nfs/dbraw/zinc/75/81/10/1078758110.db2.gz JHMMVLLEODRDJN-MRXNPFEDSA-N 0 0 403.439 2.295 20 5 HEBDRN COC[C@H](Cn1cncn1)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000770158761 1078758126 /nfs/dbraw/zinc/75/81/26/1078758126.db2.gz JHMMVLLEODRDJN-INIZCTEOSA-N 0 0 403.439 2.295 20 5 HEBDRN C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000746049802 1078758249 /nfs/dbraw/zinc/75/82/49/1078758249.db2.gz BNOHCHGIUIKDGG-SFHVURJKSA-N 0 0 402.794 2.314 20 5 HEBDRN COC(=O)C[C@@]1(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCOC1 ZINC000770170109 1078766149 /nfs/dbraw/zinc/76/61/49/1078766149.db2.gz RRYILBQRZWDZGO-HNNXBMFYSA-N 0 0 401.213 2.199 20 5 HEBDRN CCOC(=O)N1CC[C@@H](Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 ZINC000770222213 1078773177 /nfs/dbraw/zinc/77/31/77/1078773177.db2.gz MVIVVYPLHXMBIP-CYBMUJFWSA-N 0 0 414.484 2.268 20 5 HEBDRN Cc1cccc(OCCCNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 ZINC000746106343 1078788136 /nfs/dbraw/zinc/78/81/36/1078788136.db2.gz OLOCVHWIEWEPDI-UHFFFAOYSA-N 0 0 407.448 2.058 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CO)c2ccsc2)ccc1Br ZINC000770275165 1078803248 /nfs/dbraw/zinc/80/32/48/1078803248.db2.gz KGZQYXFNMBTGHW-LLVKDONJSA-N 0 0 407.267 2.431 20 5 HEBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1CSC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000746133771 1078801406 /nfs/dbraw/zinc/80/14/06/1078801406.db2.gz JKUZYIZNYODNIB-DZGCQCFKSA-N 0 0 407.448 2.348 20 5 HEBDRN COc1ccc2c(c1)nc(CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)n2C ZINC000770286602 1078808661 /nfs/dbraw/zinc/80/86/61/1078808661.db2.gz PARNJQOAFMGSST-UHFFFAOYSA-N 0 0 408.411 2.416 20 5 HEBDRN CC(C)OC[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000770298847 1078821464 /nfs/dbraw/zinc/82/14/64/1078821464.db2.gz WULHTZLDCPXMMK-LLVKDONJSA-N 0 0 423.285 2.172 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCc1ccc(NC(=O)OC)cc1 ZINC000746284381 1078836094 /nfs/dbraw/zinc/83/60/94/1078836094.db2.gz AWCILOHOVKOPKQ-OAHLLOKOSA-N 0 0 418.454 2.364 20 5 HEBDRN O=C(NCCSCC(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000770354581 1078839843 /nfs/dbraw/zinc/83/98/43/1078839843.db2.gz YNZIMVRGQUYPLD-SECBINFHSA-N 0 0 409.361 2.499 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000746311869 1078850716 /nfs/dbraw/zinc/85/07/16/1078850716.db2.gz PFGJQDPEMRFWNN-OXJNMPFZSA-N 0 0 401.467 2.168 20 5 HEBDRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770512656 1078872372 /nfs/dbraw/zinc/87/23/72/1078872372.db2.gz MYOFSVAMGWUOOZ-UHFFFAOYSA-N 0 0 407.386 2.297 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000770552353 1078879396 /nfs/dbraw/zinc/87/93/96/1078879396.db2.gz XVMFQKOJAQPCHG-UKRRQHHQSA-N 0 0 413.249 2.294 20 5 HEBDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000770558731 1078880794 /nfs/dbraw/zinc/88/07/94/1078880794.db2.gz CRRXGKDWDMQGRI-UHFFFAOYSA-N 0 0 403.508 2.479 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746388870 1078891017 /nfs/dbraw/zinc/89/10/17/1078891017.db2.gz HPUUUZRJPPKFQO-UHFFFAOYSA-N 0 0 411.823 2.455 20 5 HEBDRN O=C1C(=O)N(CN2CCCc3c([N+](=O)[O-])cccc32)C(=O)N1Cc1cccs1 ZINC000766358541 1078909300 /nfs/dbraw/zinc/90/93/00/1078909300.db2.gz VWOXEBXIMRQJHM-UHFFFAOYSA-N 0 0 400.416 2.357 20 5 HEBDRN Cc1onc(-c2ccncc2)c1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000766365511 1078921193 /nfs/dbraw/zinc/92/11/93/1078921193.db2.gz HGJKMAGDYLGUOC-UHFFFAOYSA-N 0 0 411.374 2.321 20 5 HEBDRN CS(=O)(=O)c1cc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)c(Cl)s1 ZINC000770661121 1078923302 /nfs/dbraw/zinc/92/33/02/1078923302.db2.gz GPSSBDXATPODQI-UHFFFAOYSA-N 0 0 424.909 2.234 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccc(C)cc2n1 ZINC000746430279 1078928328 /nfs/dbraw/zinc/92/83/28/1078928328.db2.gz APJWWVSNKIDBIQ-UHFFFAOYSA-N 0 0 405.436 2.345 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000766400042 1078952856 /nfs/dbraw/zinc/95/28/56/1078952856.db2.gz LZIYXQKZOQXQGY-KKUMJFAQSA-N 0 0 424.454 2.454 20 5 HEBDRN O=C(NC[C@@H]1COC2(CCOCC2)O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000770702653 1078971331 /nfs/dbraw/zinc/97/13/31/1078971331.db2.gz AGYDEODEIRIWBW-MRVPVSSYSA-N 0 0 407.242 2.071 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(C(C)=O)C2)cc1OC ZINC000766471618 1079022105 /nfs/dbraw/zinc/02/21/05/1079022105.db2.gz YFMCJADPTKAKJT-AWEZNQCLSA-N 0 0 410.423 2.044 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000770829075 1079050460 /nfs/dbraw/zinc/05/04/60/1079050460.db2.gz JPXIXFFDPGOLTP-YJBOKZPZSA-N 0 0 411.414 2.123 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)c2ncccc12 ZINC000766536496 1079071732 /nfs/dbraw/zinc/07/17/32/1079071732.db2.gz FZPFVTGGTZIHMQ-CYBMUJFWSA-N 0 0 407.448 2.497 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)O[C@@H](C)c3ncc(C)o3)cc2[N+](=O)[O-])CC1 ZINC000770920431 1079081252 /nfs/dbraw/zinc/08/12/52/1079081252.db2.gz UPELPRMIQOROCF-ZDUSSCGKSA-N 0 0 402.407 2.478 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000766546415 1079088488 /nfs/dbraw/zinc/08/84/88/1079088488.db2.gz BMEZZWJNHUEWIS-AWEZNQCLSA-N 0 0 401.803 2.201 20 5 HEBDRN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Oc3c(F)cccc3[N+](=O)[O-])ccc2O1 ZINC000766563802 1079100270 /nfs/dbraw/zinc/10/02/70/1079100270.db2.gz KTUQMJVXFDHGOV-OAHLLOKOSA-N 0 0 411.363 2.368 20 5 HEBDRN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000766564702 1079101341 /nfs/dbraw/zinc/10/13/41/1079101341.db2.gz RIECOGQREVRYBL-UHFFFAOYSA-N 0 0 416.408 2.042 20 5 HEBDRN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000766564797 1079101448 /nfs/dbraw/zinc/10/14/48/1079101448.db2.gz SSVOXFYHTLSXPC-UHFFFAOYSA-N 0 0 400.296 2.181 20 5 HEBDRN COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CCO1 ZINC001169075017 1079125888 /nfs/dbraw/zinc/12/58/88/1079125888.db2.gz KNVIKCQDEQLMIR-IBGZPJMESA-N 0 0 412.414 2.242 20 5 HEBDRN Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000766589904 1079128143 /nfs/dbraw/zinc/12/81/43/1079128143.db2.gz HBTABFRFMDISSK-WBMJQRKESA-N 0 0 421.841 2.035 20 5 HEBDRN C[C@@H](c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1)c1cccnc1 ZINC000771085999 1079137298 /nfs/dbraw/zinc/13/72/98/1079137298.db2.gz CALINOOGTKAWTO-OAHLLOKOSA-N 0 0 422.445 2.416 20 5 HEBDRN CSC[C@@H](C)c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771087883 1079137730 /nfs/dbraw/zinc/13/77/30/1079137730.db2.gz MOOIILISFWFLSA-CYBMUJFWSA-N 0 0 405.480 2.336 20 5 HEBDRN O=C(Cc1noc(-c2cc(C3CC3)on2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771087145 1079137752 /nfs/dbraw/zinc/13/77/52/1079137752.db2.gz JTCKQRLNKGDVEC-UHFFFAOYSA-N 0 0 424.417 2.402 20 5 HEBDRN CC1(OCc2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)CCC1 ZINC000771087881 1079137832 /nfs/dbraw/zinc/13/78/32/1079137832.db2.gz MOMKPSFTVORQCA-UHFFFAOYSA-N 0 0 415.450 2.328 20 5 HEBDRN O=C(Cc1noc([C@@H]2CCCCO2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085243 1079136219 /nfs/dbraw/zinc/13/62/19/1079136219.db2.gz LJTMETMKZMJMTM-INIZCTEOSA-N 0 0 401.423 2.111 20 5 HEBDRN CSCCCc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771086547 1079136830 /nfs/dbraw/zinc/13/68/30/1079136830.db2.gz FAXAJUCAWZWPTK-UHFFFAOYSA-N 0 0 405.480 2.165 20 5 HEBDRN C[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771101364 1079152469 /nfs/dbraw/zinc/15/24/69/1079152469.db2.gz KLWIUPBTZQTNIX-MRVPVSSYSA-N 0 0 420.765 2.158 20 5 HEBDRN O=C(COC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000771158196 1079173459 /nfs/dbraw/zinc/17/34/59/1079173459.db2.gz RDOAYZSCFIDEKE-LLVKDONJSA-N 0 0 419.340 2.408 20 5 HEBDRN CCOC(=O)[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)CCC1(F)F ZINC001169179203 1079192372 /nfs/dbraw/zinc/19/23/72/1079192372.db2.gz VUQNKWNJEFYJSY-NSHDSACASA-N 0 0 417.340 2.353 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001169307950 1079231431 /nfs/dbraw/zinc/23/14/31/1079231431.db2.gz AHQWYKHUASKFCE-SJORKVTESA-N 0 0 417.466 2.436 20 5 HEBDRN CCNC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000766684285 1079256374 /nfs/dbraw/zinc/25/63/74/1079256374.db2.gz LJOFQKBVLVOOQZ-UHFFFAOYSA-N 0 0 411.370 2.217 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000771267653 1079256602 /nfs/dbraw/zinc/25/66/02/1079256602.db2.gz MIDZFQJGGXWFFN-HXUWFJFHSA-N 0 0 413.386 2.114 20 5 HEBDRN COc1cc(C(=O)OCc2nsc(N(C)C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000771317846 1079283410 /nfs/dbraw/zinc/28/34/10/1079283410.db2.gz WATUDTGQEFPXRD-UHFFFAOYSA-N 0 0 404.351 2.479 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000771323935 1079287236 /nfs/dbraw/zinc/28/72/36/1079287236.db2.gz LBOKYTHWJDPEMI-UHFFFAOYSA-N 0 0 423.422 2.167 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(F)c(OC)cc2[N+](=O)[O-])c1 ZINC001169443806 1079294518 /nfs/dbraw/zinc/29/45/18/1079294518.db2.gz FOLMDZDRVUFHIP-INIZCTEOSA-N 0 0 423.397 2.021 20 5 HEBDRN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400794 1079323718 /nfs/dbraw/zinc/32/37/18/1079323718.db2.gz ZRXPMEFVKUVHJN-VHSXEESVSA-N 0 0 403.220 2.364 20 5 HEBDRN COc1ccccc1S(=O)(=O)CCCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000766741583 1079323721 /nfs/dbraw/zinc/32/37/21/1079323721.db2.gz GSAQMLDJTOTHHW-UHFFFAOYSA-N 0 0 423.399 2.353 20 5 HEBDRN O=Cc1ccc(N2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000766754924 1079333313 /nfs/dbraw/zinc/33/33/13/1079333313.db2.gz DJXRWGBYGFQDER-UHFFFAOYSA-N 0 0 409.489 2.163 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(N[C@H]2CCc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-] ZINC001169625746 1079348656 /nfs/dbraw/zinc/34/86/56/1079348656.db2.gz DEUHKIPTOBQYEX-LPHOPBHVSA-N 0 0 414.414 2.485 20 5 HEBDRN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000771502171 1079360975 /nfs/dbraw/zinc/36/09/75/1079360975.db2.gz PKGIYTCXSJVTIE-UHFFFAOYSA-N 0 0 403.464 2.464 20 5 HEBDRN O=C(CC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000771504667 1079364686 /nfs/dbraw/zinc/36/46/86/1079364686.db2.gz ZXDOPRAYCXOBJK-UHFFFAOYSA-N 0 0 403.464 2.464 20 5 HEBDRN CCOC(=O)C1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000771503531 1079364728 /nfs/dbraw/zinc/36/47/28/1079364728.db2.gz NBIFHIZGASZQRW-UHFFFAOYSA-N 0 0 412.427 2.430 20 5 HEBDRN CCOC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000771571997 1079376107 /nfs/dbraw/zinc/37/61/07/1079376107.db2.gz BCMJGWQLEYOKJN-SECBINFHSA-N 0 0 404.192 2.457 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766800680 1079387839 /nfs/dbraw/zinc/38/78/39/1079387839.db2.gz HYISRCSOBKQQAN-HNNXBMFYSA-N 0 0 413.496 2.456 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C ZINC000766805777 1079391608 /nfs/dbraw/zinc/39/16/08/1079391608.db2.gz SEKABZLBZRXAAH-UHFFFAOYSA-N 0 0 418.454 2.281 20 5 HEBDRN C=C1c2ccccc2C(=O)N1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000771625308 1079408662 /nfs/dbraw/zinc/40/86/62/1079408662.db2.gz YMODOCRCDMPIFE-UHFFFAOYSA-N 0 0 419.397 2.463 20 5 HEBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000766834939 1079419815 /nfs/dbraw/zinc/41/98/15/1079419815.db2.gz RLMFOEQPMNSCSC-UYAOXDASSA-N 0 0 420.487 2.292 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCCC12OCCO2 ZINC000766837232 1079425434 /nfs/dbraw/zinc/42/54/34/1079425434.db2.gz ZYKRGGBTANDNPA-ZDUSSCGKSA-N 0 0 421.269 2.321 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCCC12OCCO2 ZINC000766837231 1079425546 /nfs/dbraw/zinc/42/55/46/1079425546.db2.gz ZYKRGGBTANDNPA-CYBMUJFWSA-N 0 0 421.269 2.321 20 5 HEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)c1 ZINC000766839516 1079428734 /nfs/dbraw/zinc/42/87/34/1079428734.db2.gz JXMRMEIISUAPOJ-ZDUSSCGKSA-N 0 0 421.269 2.321 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC000766850060 1079435751 /nfs/dbraw/zinc/43/57/51/1079435751.db2.gz KKPINGRLWWRJFF-UHFFFAOYSA-N 0 0 403.439 2.326 20 5 HEBDRN Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000766852492 1079437709 /nfs/dbraw/zinc/43/77/09/1079437709.db2.gz PZKKLICKTAHTNM-IUODEOHRSA-N 0 0 414.871 2.259 20 5 HEBDRN O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766847971 1079448172 /nfs/dbraw/zinc/44/81/72/1079448172.db2.gz FWQVVCBCMAJFSC-JDSLSITLSA-N 0 0 421.500 2.358 20 5 HEBDRN CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1CCOC ZINC000766848491 1079446331 /nfs/dbraw/zinc/44/63/31/1079446331.db2.gz ATEIIILMLAGIGO-CQSZACIVSA-N 0 0 405.904 2.370 20 5 HEBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H](O)c1ccc(F)cc1 ZINC000771676619 1079463010 /nfs/dbraw/zinc/46/30/10/1079463010.db2.gz ZOFAPJPBBQBTDO-BFUOFWGJSA-N 0 0 403.410 2.422 20 5 HEBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](O)c1ccc(F)cc1 ZINC000771676622 1079463061 /nfs/dbraw/zinc/46/30/61/1079463061.db2.gz ZOFAPJPBBQBTDO-YJYMSZOUSA-N 0 0 403.410 2.422 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2ccccc2Cn2cncn2)cc([N+](=O)[O-])c1F ZINC000771729895 1079467707 /nfs/dbraw/zinc/46/77/07/1079467707.db2.gz KDLZSRSJAHIEBM-UHFFFAOYSA-N 0 0 405.411 2.161 20 5 HEBDRN Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccn3)CC2)cc([N+](=O)[O-])c1F ZINC000771736227 1079471710 /nfs/dbraw/zinc/47/17/10/1079471710.db2.gz VRJLPZHPEXZQTQ-UHFFFAOYSA-N 0 0 408.455 2.380 20 5 HEBDRN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000737666615 1075915362 /nfs/dbraw/zinc/91/53/62/1075915362.db2.gz PSQOKGMLGYHVPG-GWCFXTLKSA-N 0 0 404.398 2.439 20 5 HEBDRN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000737666619 1075915460 /nfs/dbraw/zinc/91/54/60/1075915460.db2.gz PSQOKGMLGYHVPG-MFKMUULPSA-N 0 0 404.398 2.439 20 5 HEBDRN COc1cc(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000771758906 1079489291 /nfs/dbraw/zinc/48/92/91/1079489291.db2.gz OXWWVLPORWTIJR-UHFFFAOYSA-N 0 0 400.384 2.244 20 5 HEBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1sccc1C(N)=O ZINC000766228278 1075927690 /nfs/dbraw/zinc/92/76/90/1075927690.db2.gz VUXASWDZKGPTMA-SECBINFHSA-N 0 0 414.399 2.487 20 5 HEBDRN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766229111 1075939101 /nfs/dbraw/zinc/93/91/01/1075939101.db2.gz ZXBKSZWEFKIPHF-INIZCTEOSA-N 0 0 415.402 2.244 20 5 HEBDRN Cc1cn(CN2CCCN(CC(F)(F)F)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738067786 1075957014 /nfs/dbraw/zinc/95/70/14/1075957014.db2.gz SGFKQJNJYHWFMB-UHFFFAOYSA-N 0 0 413.400 2.383 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H]1Cc2ccccc2O1 ZINC000766234062 1075975028 /nfs/dbraw/zinc/97/50/28/1075975028.db2.gz VUKRTBJBRUSBPG-AWEZNQCLSA-N 0 0 407.382 2.420 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccnc1N1CCC(CO)CC1 ZINC000738540944 1076000194 /nfs/dbraw/zinc/00/01/94/1076000194.db2.gz QENJTTXESZBFFI-UHFFFAOYSA-N 0 0 404.398 2.355 20 5 HEBDRN CS(=O)(=O)c1cccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000738590888 1076007166 /nfs/dbraw/zinc/00/71/66/1076007166.db2.gz CVAKGBBAVXTHHF-UHFFFAOYSA-N 0 0 423.399 2.005 20 5 HEBDRN Cc1ccc(OCCOC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000738676203 1076015231 /nfs/dbraw/zinc/01/52/31/1076015231.db2.gz CBRVYCYCYBKSNY-UHFFFAOYSA-N 0 0 408.432 2.146 20 5 HEBDRN Cc1cccc(OCCOC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000738676845 1076015620 /nfs/dbraw/zinc/01/56/20/1076015620.db2.gz GEWXQGBEFDNXPK-UHFFFAOYSA-N 0 0 408.432 2.146 20 5 HEBDRN O=C(CCN1C(=O)CCc2ccccc21)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738870775 1076026174 /nfs/dbraw/zinc/02/61/74/1076026174.db2.gz DQHMSMOTNGQMRK-UHFFFAOYSA-N 0 0 423.425 2.397 20 5 HEBDRN CC(C)(C)OC(=O)NCc1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000766909948 1079502828 /nfs/dbraw/zinc/50/28/28/1079502828.db2.gz KBNPIJLLCCQOCB-UHFFFAOYSA-N 0 0 406.399 2.002 20 5 HEBDRN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000739082532 1076039802 /nfs/dbraw/zinc/03/98/02/1076039802.db2.gz VCCJHQQBWBRDCM-HNNXBMFYSA-N 0 0 412.446 2.117 20 5 HEBDRN COC(=O)[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000739987058 1076090495 /nfs/dbraw/zinc/09/04/95/1076090495.db2.gz COSJFLPALJZCLE-LLVKDONJSA-N 0 0 409.258 2.223 20 5 HEBDRN COc1ccc(CC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000740146374 1076105567 /nfs/dbraw/zinc/10/55/67/1076105567.db2.gz GGHOIOMNHFJRCG-HNNXBMFYSA-N 0 0 422.821 2.420 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000740152462 1076110235 /nfs/dbraw/zinc/11/02/35/1076110235.db2.gz GRJFMKJWUWUBNC-HNNXBMFYSA-N 0 0 408.794 2.491 20 5 HEBDRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000740153520 1076110739 /nfs/dbraw/zinc/11/07/39/1076110739.db2.gz MOLXCZBVCRGGHX-AWEZNQCLSA-N 0 0 423.765 2.391 20 5 HEBDRN O=C(OCCOCCO)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000740203068 1076134327 /nfs/dbraw/zinc/13/43/27/1076134327.db2.gz DKSKESFHGDYVLU-UHFFFAOYSA-N 0 0 406.357 2.382 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000766247427 1076143694 /nfs/dbraw/zinc/14/36/94/1076143694.db2.gz GXFODSRGHVKNNQ-UHFFFAOYSA-N 0 0 402.363 2.383 20 5 HEBDRN CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000740392032 1076160342 /nfs/dbraw/zinc/16/03/42/1076160342.db2.gz QNKZEBZBKTVHDJ-AWEZNQCLSA-N 0 0 406.435 2.217 20 5 HEBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000740592035 1076195256 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O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCCOC[C@@H]2CCCO2)c1 ZINC000741754363 1076620399 /nfs/dbraw/zinc/62/03/99/1076620399.db2.gz HHDFMJYCYAUJTL-LBPRGKRZSA-N 0 0 423.285 2.221 20 5 HEBDRN Cn1nc(Cl)c(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1Cl ZINC001129325909 1076646781 /nfs/dbraw/zinc/64/67/81/1076646781.db2.gz GRTSCLZJOOZSQA-UHFFFAOYSA-N 0 0 412.233 2.233 20 5 HEBDRN COC(=O)c1ccc(-c2nnn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000741855643 1076655939 /nfs/dbraw/zinc/65/59/39/1076655939.db2.gz MEWPZYMDGRGYLU-UHFFFAOYSA-N 0 0 416.781 2.327 20 5 HEBDRN CC(C)(C)OC(=O)CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000741932738 1076680212 /nfs/dbraw/zinc/68/02/12/1076680212.db2.gz VDOVFMSXUQVUHC-UHFFFAOYSA-N 0 0 406.176 2.271 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000741966283 1076687454 /nfs/dbraw/zinc/68/74/54/1076687454.db2.gz XHJLTBKIVJSCTK-ZDUSSCGKSA-N 0 0 401.467 2.143 20 5 HEBDRN O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000766280940 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CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(F)(F)F ZINC000742295364 1076820721 /nfs/dbraw/zinc/82/07/21/1076820721.db2.gz DAEQZTWTOARLGS-UHFFFAOYSA-N 0 0 420.207 2.130 20 5 HEBDRN CCOC(=O)COc1ccc(OS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000742327240 1076824792 /nfs/dbraw/zinc/82/47/92/1076824792.db2.gz GVHGQIJXVZNWFK-UHFFFAOYSA-N 0 0 411.388 2.313 20 5 HEBDRN C[C@H](Oc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)C(N)=O ZINC000742313550 1076828189 /nfs/dbraw/zinc/82/81/89/1076828189.db2.gz RAYWMIXWSITFCG-VIFPVBQESA-N 0 0 400.796 2.269 20 5 HEBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000742413490 1076836067 /nfs/dbraw/zinc/83/60/67/1076836067.db2.gz TWBHVHXQVUCLRK-UHFFFAOYSA-N 0 0 412.421 2.475 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000742413839 1076836082 /nfs/dbraw/zinc/83/60/82/1076836082.db2.gz KWYGMASLYGMXDQ-TXEJJXNPSA-N 0 0 404.383 2.079 20 5 HEBDRN CS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000742421541 1076836797 /nfs/dbraw/zinc/83/67/97/1076836797.db2.gz NGUNJARBRMTCDJ-KGLIPLIRSA-N 0 0 414.553 2.227 20 5 HEBDRN CS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000742420669 1076836799 /nfs/dbraw/zinc/83/67/99/1076836799.db2.gz FCJZAFIIVYQDBL-OLZOCXBDSA-N 0 0 401.510 2.312 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000742532325 1076848162 /nfs/dbraw/zinc/84/81/62/1076848162.db2.gz KOAARQLNHUYXSX-HNNXBMFYSA-N 0 0 419.482 2.428 20 5 HEBDRN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000742538922 1076849783 /nfs/dbraw/zinc/84/97/83/1076849783.db2.gz KOASMCGRDPOYGM-CYBMUJFWSA-N 0 0 406.464 2.280 20 5 HEBDRN Cc1cc(=O)c(C(=O)NCC[C@@H](O)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000742822439 1076883147 /nfs/dbraw/zinc/88/31/47/1076883147.db2.gz CGNWHIZXYXMKCV-GOSISDBHSA-N 0 0 408.414 2.303 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000742894792 1076893288 /nfs/dbraw/zinc/89/32/88/1076893288.db2.gz BRIKCGHKCFHEJP-SQNIBIBYSA-N 0 0 423.425 2.059 20 5 HEBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000742916000 1076897214 /nfs/dbraw/zinc/89/72/14/1076897214.db2.gz ORAMQTZPFZXOBS-UHFFFAOYSA-N 0 0 403.303 2.329 20 5 HEBDRN COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000743050981 1076940884 /nfs/dbraw/zinc/94/08/84/1076940884.db2.gz GJCZQGHKHSDXOX-UHFFFAOYSA-N 0 0 420.871 2.289 20 5 HEBDRN CC(C)OC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000766297599 1077006984 /nfs/dbraw/zinc/00/69/84/1077006984.db2.gz GMPUDVWLMMXCJQ-AWEZNQCLSA-N 0 0 418.381 2.267 20 5 HEBDRN CNC(=O)C1(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCCC1 ZINC000743342974 1077026500 /nfs/dbraw/zinc/02/65/00/1077026500.db2.gz BNHNUVFYRQIUGY-UHFFFAOYSA-N 0 0 420.285 2.003 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F ZINC000743392166 1077040062 /nfs/dbraw/zinc/04/00/62/1077040062.db2.gz XNYLSUOIVWJOQS-UHFFFAOYSA-N 0 0 422.344 2.095 20 5 HEBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCOC[C@H]2c2ccccc2)C1=O ZINC000743403981 1077043885 /nfs/dbraw/zinc/04/38/85/1077043885.db2.gz ZABVHVFTBIOVPL-GHTZIAJQSA-N 0 0 410.430 2.393 20 5 HEBDRN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC1(C)OCCO1 ZINC000743488896 1077059799 /nfs/dbraw/zinc/05/97/99/1077059799.db2.gz AJTGWHKNYBCRGB-CHWSQXEVSA-N 0 0 411.480 2.166 20 5 HEBDRN Cc1cc([C@@](C)(O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000743511648 1077065497 /nfs/dbraw/zinc/06/54/97/1077065497.db2.gz WDXANJQNUQPCSR-LIRRHRJNSA-N 0 0 421.475 2.495 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000743545146 1077066192 /nfs/dbraw/zinc/06/61/92/1077066192.db2.gz NAZXHLANJOBNIT-UHFFFAOYSA-N 0 0 400.435 2.499 20 5 HEBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3cnn(C)c3)cc2[N+](=O)[O-])C1 ZINC000743649564 1077080915 /nfs/dbraw/zinc/08/09/15/1077080915.db2.gz SZJGJWRRLTVDSR-LPMFXHHGSA-N 0 0 401.467 2.274 20 5 HEBDRN CNC(=O)Cn1ccc2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc21 ZINC000743692545 1077091722 /nfs/dbraw/zinc/09/17/22/1077091722.db2.gz HTOFCURNPJNRFP-UHFFFAOYSA-N 0 0 406.402 2.284 20 5 HEBDRN Cc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000743751963 1077100204 /nfs/dbraw/zinc/10/02/04/1077100204.db2.gz JHDHTIAEWDWZKI-UHFFFAOYSA-N 0 0 406.424 2.324 20 5 HEBDRN CSC(C)(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000743796792 1077121635 /nfs/dbraw/zinc/12/16/35/1077121635.db2.gz ACEKYWOYUUQQHJ-CYBMUJFWSA-N 0 0 415.537 2.253 20 5 HEBDRN CCc1nsc(N2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000743804836 1077126468 /nfs/dbraw/zinc/12/64/68/1077126468.db2.gz XXKSMSZDPOMRDJ-UHFFFAOYSA-N 0 0 415.479 2.097 20 5 HEBDRN CCOC(=O)CCN(Cc1cccnc1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743838801 1077140003 /nfs/dbraw/zinc/14/00/03/1077140003.db2.gz QHODPUBJIDKKGH-UHFFFAOYSA-N 0 0 411.418 2.322 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCS(=O)(=O)Cc1ccccc1 ZINC000743892230 1077203219 /nfs/dbraw/zinc/20/32/19/1077203219.db2.gz KUBBGTDDFHPPBB-UHFFFAOYSA-N 0 0 401.444 2.281 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000743946597 1077237128 /nfs/dbraw/zinc/23/71/28/1077237128.db2.gz MBFOULOPYNQBQF-UHFFFAOYSA-N 0 0 406.439 2.357 20 5 HEBDRN CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743951888 1077280507 /nfs/dbraw/zinc/28/05/07/1077280507.db2.gz BUYHUFQWNHDRST-XFXZXTDPSA-N 0 0 411.414 2.469 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744147307 1077331031 /nfs/dbraw/zinc/33/10/31/1077331031.db2.gz BCQKCPDRCMVMQL-AWEZNQCLSA-N 0 0 422.438 2.048 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000744148982 1077331055 /nfs/dbraw/zinc/33/10/55/1077331055.db2.gz PXQPPAVFXXLDEF-UHFFFAOYSA-N 0 0 412.402 2.089 20 5 HEBDRN Cc1c(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000744339770 1077369413 /nfs/dbraw/zinc/36/94/13/1077369413.db2.gz JWTWKWFBCXUHBF-LBPRGKRZSA-N 0 0 404.354 2.025 20 5 HEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nc1 ZINC000744403416 1077381598 /nfs/dbraw/zinc/38/15/98/1077381598.db2.gz OBJAOIJHNLGWSM-CQSZACIVSA-N 0 0 401.379 2.451 20 5 HEBDRN Cc1cn(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000744445272 1077397253 /nfs/dbraw/zinc/39/72/53/1077397253.db2.gz UQXWZZQJUHLGFO-WFASDCNBSA-N 0 0 400.357 2.465 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2=O)n1 ZINC000744491002 1077401824 /nfs/dbraw/zinc/40/18/24/1077401824.db2.gz HUOKWNOSMDGKGI-QGZVFWFLSA-N 0 0 413.434 2.281 20 5 HEBDRN CCCCOC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000744509369 1077426629 /nfs/dbraw/zinc/42/66/29/1077426629.db2.gz KTDOLXWNODJHML-CYBMUJFWSA-N 0 0 403.391 2.338 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OCC(=O)C3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000744513880 1077430310 /nfs/dbraw/zinc/43/03/10/1077430310.db2.gz AMVMPLMBLKMRJN-UHFFFAOYSA-N 0 0 403.435 2.179 20 5 HEBDRN CCc1noc([C@@H](C)OC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)n1 ZINC000744515243 1077431108 /nfs/dbraw/zinc/43/11/08/1077431108.db2.gz ZZYFEJOWXXPOKB-GFCCVEGCSA-N 0 0 417.422 2.127 20 5 HEBDRN CC(C)CO[C@@H](C)c1noc(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000744581897 1077495461 /nfs/dbraw/zinc/49/54/61/1077495461.db2.gz SKMFSJXTNGLIGI-NSHDSACASA-N 0 0 420.378 2.363 20 5 HEBDRN COC(=O)[C@@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1F ZINC000744581475 1077495536 /nfs/dbraw/zinc/49/55/36/1077495536.db2.gz QAOBQBIZJLPZNV-INIZCTEOSA-N 0 0 404.306 2.099 20 5 HEBDRN CS(=O)(=O)Cc1nc(COC(=O)CSc2ccc([N+](=O)[O-])cc2)cs1 ZINC000744617590 1077505722 /nfs/dbraw/zinc/50/57/22/1077505722.db2.gz BVPRBJLFZXRWDT-UHFFFAOYSA-N 0 0 402.475 2.431 20 5 HEBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000744598621 1077508791 /nfs/dbraw/zinc/50/87/91/1077508791.db2.gz JZUCLZQMWMKOIC-UHFFFAOYSA-N 0 0 421.413 2.356 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000744652906 1077539404 /nfs/dbraw/zinc/53/94/04/1077539404.db2.gz QDXLWHJIHDPITR-AWEZNQCLSA-N 0 0 400.435 2.470 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744773699 1077578228 /nfs/dbraw/zinc/57/82/28/1077578228.db2.gz KKMSVEUCWLJVJX-RISCZKNCSA-N 0 0 424.435 2.063 20 5 HEBDRN Cn1ccc(N2CCC[C@H](OC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000744846057 1077631218 /nfs/dbraw/zinc/63/12/18/1077631218.db2.gz ZPCLUIXDUXQKHK-INIZCTEOSA-N 0 0 424.417 2.081 20 5 HEBDRN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744877351 1077648130 /nfs/dbraw/zinc/64/81/30/1077648130.db2.gz DLTJKJLKVRZZIP-HXUWFJFHSA-N 0 0 423.473 2.228 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000744926704 1077654373 /nfs/dbraw/zinc/65/43/73/1077654373.db2.gz BANAKPHUIHEWDT-SNVBAGLBSA-N 0 0 421.366 2.014 20 5 HEBDRN C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000744925238 1077654451 /nfs/dbraw/zinc/65/44/51/1077654451.db2.gz UNQHCYVECQXTKO-SWLSCSKDSA-N 0 0 402.407 2.098 20 5 HEBDRN CCN(CC)C(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744928810 1077656633 /nfs/dbraw/zinc/65/66/33/1077656633.db2.gz XTGHHGUASLWHFJ-WMLDXEAASA-N 0 0 405.451 2.308 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1SC ZINC000744951183 1077675140 /nfs/dbraw/zinc/67/51/40/1077675140.db2.gz AZXRMCXVFDQJTD-ZDUSSCGKSA-N 0 0 420.447 2.411 20 5 HEBDRN CCCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745030594 1077710646 /nfs/dbraw/zinc/71/06/46/1077710646.db2.gz WNYGWEICQKHNBF-OLZOCXBDSA-N 0 0 411.480 2.499 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCCCC1 ZINC000745030436 1077711034 /nfs/dbraw/zinc/71/10/34/1077711034.db2.gz VXEHHNBDTLZOAB-TZMCWYRMSA-N 0 0 407.423 2.173 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCC(C)CC1 ZINC000745030357 1077711048 /nfs/dbraw/zinc/71/10/48/1077711048.db2.gz UHAWNODVJNZHDF-OOJKYFRXSA-N 0 0 421.450 2.419 20 5 HEBDRN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745030100 1077711476 /nfs/dbraw/zinc/71/14/76/1077711476.db2.gz SRKPOIVYFFAQLL-AVGNSLFASA-N 0 0 411.480 2.497 20 5 HEBDRN Cn1ccc(N2CCC[C@H](OC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2=O)n1 ZINC000745049939 1077712497 /nfs/dbraw/zinc/71/24/97/1077712497.db2.gz IENGVJTXXVMSFA-HNNXBMFYSA-N 0 0 422.825 2.489 20 5 HEBDRN O=C(CCNC(=O)N1CCc2ccccc2C1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000745057334 1077721186 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HEBDRN Cn1ccc(N2CCC[C@H](OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2=O)n1 ZINC000770157953 1078757479 /nfs/dbraw/zinc/75/74/79/1078757479.db2.gz VOGGZEUSQFOMCF-ZDUSSCGKSA-N 0 0 423.223 2.443 20 5 HEBDRN COC(=O)c1cc(OS(=O)(=O)CCc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000770262090 1078796983 /nfs/dbraw/zinc/79/69/83/1078796983.db2.gz PKMQUMGSVYFLJF-UHFFFAOYSA-N 0 0 407.400 2.268 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000746128731 1078799866 /nfs/dbraw/zinc/79/98/66/1078799866.db2.gz AKYGTRZRCVFAOZ-HNNXBMFYSA-N 0 0 416.438 2.418 20 5 HEBDRN O=C(OCC[C@H]1CCCCN1C(=O)[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000746134409 1078802026 /nfs/dbraw/zinc/80/20/26/1078802026.db2.gz NVPSGNQXLAWNTK-IEBWSBKVSA-N 0 0 420.462 2.310 20 5 HEBDRN O=C(Cn1nc(Br)nc1Br)Nc1ccccc1[N+](=O)[O-] ZINC000746138852 1078803358 /nfs/dbraw/zinc/80/33/58/1078803358.db2.gz JLXGLEKPWBMOLA-UHFFFAOYSA-N 0 0 405.006 2.350 20 5 HEBDRN Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)cc1 ZINC000746173832 1078810034 /nfs/dbraw/zinc/81/00/34/1078810034.db2.gz WOIMYOOVYWIXMK-GFCCVEGCSA-N 0 0 407.448 2.056 20 5 HEBDRN O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000746177384 1078810871 /nfs/dbraw/zinc/81/08/71/1078810871.db2.gz LJAQYNYNTXPOMV-LBPRGKRZSA-N 0 0 408.411 2.168 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000746259173 1078827316 /nfs/dbraw/zinc/82/73/16/1078827316.db2.gz FRMVLYALSNNLJG-AWEZNQCLSA-N 0 0 423.857 2.340 20 5 HEBDRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000770324141 1078828809 /nfs/dbraw/zinc/82/88/09/1078828809.db2.gz JMDYZXUSNFSXHR-LLVKDONJSA-N 0 0 406.258 2.110 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000770363271 1078831203 /nfs/dbraw/zinc/83/12/03/1078831203.db2.gz UXDQDDBEBHQXTR-ZDUSSCGKSA-N 0 0 412.324 2.467 20 5 HEBDRN COc1cc(F)cc(CNC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c1 ZINC000770353753 1078839467 /nfs/dbraw/zinc/83/94/67/1078839467.db2.gz TVVBUSXSGOOVLS-UHFFFAOYSA-N 0 0 407.310 2.352 20 5 HEBDRN COc1cc(OC)cc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)c2nccn2C)c1 ZINC000746298799 1078846322 /nfs/dbraw/zinc/84/63/22/1078846322.db2.gz JOVPDWHSCUWOPR-SFHVURJKSA-N 0 0 411.418 2.447 20 5 HEBDRN COC(=O)c1n[nH]c2ccc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc21 ZINC000770477513 1078875453 /nfs/dbraw/zinc/87/54/53/1078875453.db2.gz VNHCHJRCZQPIJO-UHFFFAOYSA-N 0 0 409.362 2.456 20 5 HEBDRN COc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OC(C)=O ZINC000770508844 1078871157 /nfs/dbraw/zinc/87/11/57/1078871157.db2.gz ZDQXNTZQRFHSPH-UHFFFAOYSA-N 0 0 406.322 2.463 20 5 HEBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000770569018 1078893834 /nfs/dbraw/zinc/89/38/34/1078893834.db2.gz QZKVPXONIWCTHS-UHFFFAOYSA-N 0 0 400.351 2.258 20 5 HEBDRN COC(=O)Cc1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000766350424 1078901233 /nfs/dbraw/zinc/90/12/33/1078901233.db2.gz RVYTURGMDGYALS-UHFFFAOYSA-N 0 0 412.354 2.183 20 5 HEBDRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000770598143 1078901727 /nfs/dbraw/zinc/90/17/27/1078901727.db2.gz UTAPSFRKVMACQN-UHFFFAOYSA-N 0 0 424.454 2.231 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000770622360 1078919624 /nfs/dbraw/zinc/91/96/24/1078919624.db2.gz FKOCTEKDPMICQD-UONOGXRCSA-N 0 0 404.427 2.339 20 5 HEBDRN COc1cc([C@@H]2NC(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000770622405 1078919640 /nfs/dbraw/zinc/91/96/40/1078919640.db2.gz BOFVFXLYSFDXGH-KSSFIOAISA-N 0 0 418.450 2.211 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766369919 1078935997 /nfs/dbraw/zinc/93/59/97/1078935997.db2.gz VYHNBWZMUALPDF-UHFFFAOYSA-N 0 0 415.314 2.384 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COc2ccccc2O1 ZINC000746430154 1078942329 /nfs/dbraw/zinc/94/23/29/1078942329.db2.gz YXTOMIBSLNEVAJ-CYBMUJFWSA-N 0 0 409.420 2.029 20 5 HEBDRN CCc1sc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C ZINC000770722253 1078949281 /nfs/dbraw/zinc/94/92/81/1078949281.db2.gz MZEBLAUIILBTJN-UHFFFAOYSA-N 0 0 404.448 2.385 20 5 HEBDRN Cc1cc(I)cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1C ZINC000766386849 1078958946 /nfs/dbraw/zinc/95/89/46/1078958946.db2.gz FXXKBCWKGMJQJR-UHFFFAOYSA-N 0 0 416.175 2.265 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nn1 ZINC000770698432 1078965420 /nfs/dbraw/zinc/96/54/20/1078965420.db2.gz DXJCBNRRWXXBCL-SECBINFHSA-N 0 0 410.408 2.008 20 5 HEBDRN COc1cccc(NC(=O)C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1F ZINC000770711082 1078979162 /nfs/dbraw/zinc/97/91/62/1078979162.db2.gz LMJAKOXSRBSYKV-UHFFFAOYSA-N 0 0 421.381 2.057 20 5 HEBDRN Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cn1 ZINC000766429401 1079000581 /nfs/dbraw/zinc/00/05/81/1079000581.db2.gz YPVNWWTYQBXAKP-LPHOPBHVSA-N 0 0 424.461 2.385 20 5 HEBDRN Cn1cc([C@H](O)C[C@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cn1 ZINC000766429403 1079000633 /nfs/dbraw/zinc/00/06/33/1079000633.db2.gz YPVNWWTYQBXAKP-VQIMIIECSA-N 0 0 424.461 2.385 20 5 HEBDRN Cn1cnn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)c1=O ZINC000770804516 1079025794 /nfs/dbraw/zinc/02/57/94/1079025794.db2.gz KMBKCUSWYCWJMS-UHFFFAOYSA-N 0 0 418.207 2.494 20 5 HEBDRN CCc1nc(CN2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)no1 ZINC000746478643 1079034079 /nfs/dbraw/zinc/03/40/79/1079034079.db2.gz IAOGULOIZKYDTB-GFCCVEGCSA-N 0 0 422.873 2.338 20 5 HEBDRN COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C(N)=O)c1 ZINC000766485104 1079035523 /nfs/dbraw/zinc/03/55/23/1079035523.db2.gz JKWKFYQWBZOTRK-UHFFFAOYSA-N 0 0 403.372 2.018 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[S@@](=O)Cc2ccccc2)c2ncccc12 ZINC000766494339 1079037652 /nfs/dbraw/zinc/03/76/52/1079037652.db2.gz GDDDKCCDRMMLPV-HHHXNRCGSA-N 0 0 419.484 2.370 20 5 HEBDRN COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000766502151 1079043993 /nfs/dbraw/zinc/04/39/93/1079043993.db2.gz MDMAVTYUZZUQPQ-HNNXBMFYSA-N 0 0 403.416 2.164 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC001168857266 1079054351 /nfs/dbraw/zinc/05/43/51/1079054351.db2.gz RGTYVULBZZEPMK-INIZCTEOSA-N 0 0 403.416 2.202 20 5 HEBDRN COCCOc1cnc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cn1 ZINC000770918342 1079080004 /nfs/dbraw/zinc/08/00/04/1079080004.db2.gz LRNBKQZTEQOLLC-HNNXBMFYSA-N 0 0 412.362 2.326 20 5 HEBDRN CNC(=O)COc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000766529467 1079077241 /nfs/dbraw/zinc/07/72/41/1079077241.db2.gz GFUYNVLFELHNHM-UHFFFAOYSA-N 0 0 417.399 2.036 20 5 HEBDRN CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000003523795 1079081911 /nfs/dbraw/zinc/08/19/11/1079081911.db2.gz SMDSXRLXSCDJCZ-UHFFFAOYSA-N 0 0 422.415 2.069 20 5 HEBDRN COC(=O)CSCc1cccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c1 ZINC000543693592 1079096893 /nfs/dbraw/zinc/09/68/93/1079096893.db2.gz ZKZHCZUBKIBFDI-UHFFFAOYSA-N 0 0 411.461 2.392 20 5 HEBDRN CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000770997839 1079099455 /nfs/dbraw/zinc/09/94/55/1079099455.db2.gz VULRCYQKJCLYHR-IAGOWNOFSA-N 0 0 402.407 2.307 20 5 HEBDRN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000766563642 1079100299 /nfs/dbraw/zinc/10/02/99/1079100299.db2.gz GANYMVZLEUTDNM-UHFFFAOYSA-N 0 0 408.310 2.290 20 5 HEBDRN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cc1F ZINC000766563392 1079100338 /nfs/dbraw/zinc/10/03/38/1079100338.db2.gz JGXIXKHXXFGPEJ-UHFFFAOYSA-N 0 0 408.360 2.012 20 5 HEBDRN CC[C@H]1CC[C@H](c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)O1 ZINC000771088982 1079146176 /nfs/dbraw/zinc/14/61/76/1079146176.db2.gz SBXUFYFMSKAICX-DLBZAZTESA-N 0 0 415.450 2.499 20 5 HEBDRN C[C@@H](OCC1CC1)c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771089944 1079146242 /nfs/dbraw/zinc/14/62/42/1079146242.db2.gz WVGNHULVJZAFKX-CQSZACIVSA-N 0 0 415.450 2.357 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000766603231 1079153288 /nfs/dbraw/zinc/15/32/88/1079153288.db2.gz NPISZENVQRUZKZ-AWEZNQCLSA-N 0 0 408.842 2.237 20 5 HEBDRN CC(C)OCCCNC(=O)Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000771155319 1079169187 /nfs/dbraw/zinc/16/91/87/1079169187.db2.gz UBSMAPWOBAHSHY-MRXNPFEDSA-N 0 0 417.422 2.317 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)N(Cc1c(F)cccc1[N+](=O)[O-])C2=O ZINC000771157734 1079171876 /nfs/dbraw/zinc/17/18/76/1079171876.db2.gz PAGCZEJHBBVNJY-SFHVURJKSA-N 0 0 408.386 2.165 20 5 HEBDRN COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000771159591 1079174136 /nfs/dbraw/zinc/17/41/36/1079174136.db2.gz NJRUURDHXVCMAS-NRFANRHFSA-N 0 0 424.413 2.244 20 5 HEBDRN Cc1cc(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])ncc1Br ZINC001169199742 1079183031 /nfs/dbraw/zinc/18/30/31/1079183031.db2.gz NVICXTWJHZGGFE-UHFFFAOYSA-N 0 0 409.244 2.299 20 5 HEBDRN Cc1cc(NC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000771185310 1079213639 /nfs/dbraw/zinc/21/36/39/1079213639.db2.gz HHHOBOAXYNATFV-UHFFFAOYSA-N 0 0 421.454 2.104 20 5 HEBDRN C[C@H]1CN(C(=O)Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000771226821 1079216982 /nfs/dbraw/zinc/21/69/82/1079216982.db2.gz YGKARBHWPOAFOA-STQMWFEESA-N 0 0 412.406 2.009 20 5 HEBDRN Cc1ccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)c(=O)n1C ZINC000771279171 1079266132 /nfs/dbraw/zinc/26/61/32/1079266132.db2.gz RWTQLSOWLJHUTF-UHFFFAOYSA-N 0 0 420.385 2.173 20 5 HEBDRN O=C(N[C@H](CO)[C@H](O)C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001169415809 1079276070 /nfs/dbraw/zinc/27/60/70/1079276070.db2.gz QOZDSGCJJPPRDH-UKRRQHHQSA-N 0 0 401.257 2.389 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752342174 1079283327 /nfs/dbraw/zinc/28/33/27/1079283327.db2.gz BJSKABUNYXRPKJ-WUFNSSIPSA-N 0 0 404.419 2.341 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(F)c(OC)cc2[N+](=O)[O-])c1 ZINC001169443807 1079294376 /nfs/dbraw/zinc/29/43/76/1079294376.db2.gz FOLMDZDRVUFHIP-MRXNPFEDSA-N 0 0 423.397 2.021 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2nsc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000771348394 1079300718 /nfs/dbraw/zinc/30/07/18/1079300718.db2.gz APUDPMZWJZMJPI-AWEZNQCLSA-N 0 0 419.463 2.169 20 5 HEBDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000766727536 1079305024 /nfs/dbraw/zinc/30/50/24/1079305024.db2.gz WBFCJCHBWBLYCW-PIGZYNQJSA-N 0 0 410.423 2.379 20 5 HEBDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766723273 1079311334 /nfs/dbraw/zinc/31/13/34/1079311334.db2.gz SDKSIOWGJWDPHM-FZKQIMNGSA-N 0 0 403.410 2.482 20 5 HEBDRN NC(=O)[C@@H](F)C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001169538984 1079325762 /nfs/dbraw/zinc/32/57/62/1079325762.db2.gz GTPKQRKMAFEDDF-HNNXBMFYSA-N 0 0 420.363 2.478 20 5 HEBDRN Cc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)n1 ZINC000771451198 1079328975 /nfs/dbraw/zinc/32/89/75/1079328975.db2.gz NWPDEKNIHJRQIJ-UHFFFAOYSA-N 0 0 419.191 2.295 20 5 HEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000771482320 1079354802 /nfs/dbraw/zinc/35/48/02/1079354802.db2.gz XPCWEOYBHHUURC-UHFFFAOYSA-N 0 0 408.407 2.184 20 5 HEBDRN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000771493222 1079357813 /nfs/dbraw/zinc/35/78/13/1079357813.db2.gz MHDBCTCROAYCAP-LLVKDONJSA-N 0 0 401.814 2.037 20 5 HEBDRN Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000771500015 1079360036 /nfs/dbraw/zinc/36/00/36/1079360036.db2.gz HWIOPLONMMEBFZ-UHFFFAOYSA-N 0 0 421.460 2.411 20 5 HEBDRN O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000771500128 1079360172 /nfs/dbraw/zinc/36/01/72/1079360172.db2.gz WPTXIDMXWHOLGP-UHFFFAOYSA-N 0 0 406.358 2.371 20 5 HEBDRN COCCOCCc1ncc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)[nH]1 ZINC001169726815 1079379527 /nfs/dbraw/zinc/37/95/27/1079379527.db2.gz QVRUEJTYSRCQTK-UHFFFAOYSA-N 0 0 400.794 2.246 20 5 HEBDRN C[C@@H](COc1ccccc1)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000771585936 1079382077 /nfs/dbraw/zinc/38/20/77/1079382077.db2.gz PHTQJRQMNRONJM-AWEZNQCLSA-N 0 0 408.432 2.274 20 5 HEBDRN COCCNC(=O)c1cccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000804337475 1079390380 /nfs/dbraw/zinc/39/03/80/1079390380.db2.gz CIGJPQOQEDDTDF-UHFFFAOYSA-N 0 0 401.404 2.228 20 5 HEBDRN C/C=C\C[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000771612248 1079396626 /nfs/dbraw/zinc/39/66/26/1079396626.db2.gz PFHYVZZEFAVKBI-MPNWYJEXSA-N 0 0 420.443 2.419 20 5 HEBDRN COc1cc(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000771615835 1079399168 /nfs/dbraw/zinc/39/91/68/1079399168.db2.gz VPDJHSHPSZPZJJ-UHFFFAOYSA-N 0 0 408.432 2.324 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1nc2cccc(C)c2n1C ZINC000771617577 1079401263 /nfs/dbraw/zinc/40/12/63/1079401263.db2.gz XNXWCRLPVXBWSV-UHFFFAOYSA-N 0 0 412.402 2.306 20 5 HEBDRN COc1ccc(OC)c2c1CN(S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000766814059 1079403608 /nfs/dbraw/zinc/40/36/08/1079403608.db2.gz PJXHQEWTIOIPPM-INIZCTEOSA-N 0 0 422.459 2.034 20 5 HEBDRN COC(=O)C(C)(C)[C@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000771628744 1079413845 /nfs/dbraw/zinc/41/38/45/1079413845.db2.gz HURUMAFENVBLSN-AWEZNQCLSA-N 0 0 404.423 2.280 20 5 HEBDRN C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000771589895 1079417118 /nfs/dbraw/zinc/41/71/18/1079417118.db2.gz XXRLOSZYYRZGQD-GFCCVEGCSA-N 0 0 423.403 2.476 20 5 HEBDRN Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000766852494 1079437661 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CCCc1nc(COC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000738673743 1076014920 /nfs/dbraw/zinc/01/49/20/1076014920.db2.gz JWMOYQLVYHXHFD-UHFFFAOYSA-N 0 0 413.477 2.368 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000738690980 1076015874 /nfs/dbraw/zinc/01/58/74/1076015874.db2.gz OOSYORAOHFFGBA-UHFFFAOYSA-N 0 0 416.365 2.367 20 5 HEBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739397915 1076057310 /nfs/dbraw/zinc/05/73/10/1076057310.db2.gz SHCSMXLZPGYGOW-UHFFFAOYSA-N 0 0 419.375 2.374 20 5 HEBDRN NS(=O)(=O)c1ccc(CNC(=S)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000739437182 1076062265 /nfs/dbraw/zinc/06/22/65/1076062265.db2.gz JYCCPTZJWNAIOP-UHFFFAOYSA-N 0 0 422.532 2.229 20 5 HEBDRN O=C(NCc1ccc(-n2cncn2)nc1)c1ccc([N+](=O)[O-])cc1Br ZINC000739697017 1076073295 /nfs/dbraw/zinc/07/32/95/1076073295.db2.gz UVEAPCIWWDSRIT-UHFFFAOYSA-N 0 0 403.196 2.263 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])c1 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CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000741231017 1076424780 /nfs/dbraw/zinc/42/47/80/1076424780.db2.gz WHPKYKDASCSWGS-AWEZNQCLSA-N 0 0 416.438 2.209 20 5 HEBDRN O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000741289615 1076459231 /nfs/dbraw/zinc/45/92/31/1076459231.db2.gz HOJITFJQLXKXSA-HNNXBMFYSA-N 0 0 405.773 2.431 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741616781 1076556368 /nfs/dbraw/zinc/55/63/68/1076556368.db2.gz ZQLVSBDWKDNQQP-UHFFFAOYSA-N 0 0 417.429 2.169 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741611386 1076565282 /nfs/dbraw/zinc/56/52/82/1076565282.db2.gz AMQKCRSHELYRGQ-UHFFFAOYSA-N 0 0 406.446 2.499 20 5 HEBDRN Cc1c(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741628181 1076570813 /nfs/dbraw/zinc/57/08/13/1076570813.db2.gz DADVIZAPDIUTFJ-ZDUSSCGKSA-N 0 0 402.411 2.252 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000766273446 1076580995 /nfs/dbraw/zinc/58/09/95/1076580995.db2.gz BGWHQGUHYGPWDQ-UHFFFAOYSA-N 0 0 405.411 2.376 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000741741328 1076602986 /nfs/dbraw/zinc/60/29/86/1076602986.db2.gz XHRPZKYOIZXNQG-VXGBXAGGSA-N 0 0 421.841 2.333 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000741732097 1076611618 /nfs/dbraw/zinc/61/16/18/1076611618.db2.gz HJAXBYFIVMCJOT-UHFFFAOYSA-N 0 0 404.423 2.416 20 5 HEBDRN Cc1ccc(N2CCC[C@H]2COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nn1 ZINC000741751620 1076619593 /nfs/dbraw/zinc/61/95/93/1076619593.db2.gz LSJFVNRFBKZZKN-HNNXBMFYSA-N 0 0 409.406 2.100 20 5 HEBDRN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741754919 1076620745 /nfs/dbraw/zinc/62/07/45/1076620745.db2.gz YDTJFZNTYRHHEY-LBPRGKRZSA-N 0 0 421.269 2.464 20 5 HEBDRN Cc1ccccc1[C@@H](O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000741772717 1076621830 /nfs/dbraw/zinc/62/18/30/1076621830.db2.gz ASWUGOCTVWFHEG-FQEVSTJZSA-N 0 0 419.503 2.162 20 5 HEBDRN COc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000741802696 1076642436 /nfs/dbraw/zinc/64/24/36/1076642436.db2.gz PBTBNTZIOQUJFE-CYBMUJFWSA-N 0 0 408.455 2.483 20 5 HEBDRN COc1ccc(OCCOC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000741824138 1076645798 /nfs/dbraw/zinc/64/57/98/1076645798.db2.gz MIOFURJCQMRNKI-GJZGRUSLSA-N 0 0 420.418 2.091 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000741921539 1076677130 /nfs/dbraw/zinc/67/71/30/1076677130.db2.gz ZYYRCMBJABNRQP-OAHLLOKOSA-N 0 0 412.402 2.024 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741965886 1076687332 /nfs/dbraw/zinc/68/73/32/1076687332.db2.gz VBCQORFISBQWIA-FZMZJTMJSA-N 0 0 417.441 2.185 20 5 HEBDRN CC(C)N1C(=O)c2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2S1(=O)=O ZINC000742007053 1076714690 /nfs/dbraw/zinc/71/46/90/1076714690.db2.gz BRQDYWKRMRGSCT-UHFFFAOYSA-N 0 0 417.443 2.120 20 5 HEBDRN CC(C)(NS(C)(=O)=O)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000742040408 1076728576 /nfs/dbraw/zinc/72/85/76/1076728576.db2.gz JSYJCKWUDCKFPH-UHFFFAOYSA-N 0 0 421.431 2.080 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000742133228 1076750257 /nfs/dbraw/zinc/75/02/57/1076750257.db2.gz OMANNBFCROMWQB-UHFFFAOYSA-N 0 0 403.347 2.062 20 5 HEBDRN COCCCOC1CCN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1 ZINC000742152466 1076767794 /nfs/dbraw/zinc/76/77/94/1076767794.db2.gz ILCMXSBGPFRJKZ-UHFFFAOYSA-N 0 0 404.467 2.331 20 5 HEBDRN C[C@H]1CN=C(N2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)S1 ZINC000742190001 1076778041 /nfs/dbraw/zinc/77/80/41/1076778041.db2.gz ARWAOMJCBQTIQS-ZDUSSCGKSA-N 0 0 400.464 2.030 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)S1 ZINC000742191444 1076780018 /nfs/dbraw/zinc/78/00/18/1076780018.db2.gz HIZXAGOYVDBETP-CYBMUJFWSA-N 0 0 400.464 2.030 20 5 HEBDRN CCOC(=O)c1cc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc([N+](=O)[O-])c1 ZINC000742193534 1076782965 /nfs/dbraw/zinc/78/29/65/1076782965.db2.gz OAEULYJFVUZIBJ-GFCCVEGCSA-N 0 0 406.464 2.021 20 5 HEBDRN CCCNC(=O)CN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742278910 1076809220 /nfs/dbraw/zinc/80/92/20/1076809220.db2.gz NUXXIFUNDXVCNK-UHFFFAOYSA-N 0 0 422.301 2.284 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000742268684 1076811749 /nfs/dbraw/zinc/81/17/49/1076811749.db2.gz HCIXYEJJZDQEGI-UHFFFAOYSA-N 0 0 419.459 2.201 20 5 HEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000742307349 1076814104 /nfs/dbraw/zinc/81/41/04/1076814104.db2.gz SGRGAUKQMPAAGP-UHFFFAOYSA-N 0 0 417.422 2.121 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000742309073 1076814239 /nfs/dbraw/zinc/81/42/39/1076814239.db2.gz OOWQWKQHCMQLNP-UHFFFAOYSA-N 0 0 404.404 2.471 20 5 HEBDRN COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000742281863 1076814997 /nfs/dbraw/zinc/81/49/97/1076814997.db2.gz GRPDAIXBIHQQGX-UHFFFAOYSA-N 0 0 417.399 2.399 20 5 HEBDRN NC(=O)Cc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742286100 1076816136 /nfs/dbraw/zinc/81/61/36/1076816136.db2.gz YURBKQWHDFCJOW-UHFFFAOYSA-N 0 0 415.221 2.153 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742324169 1076824092 /nfs/dbraw/zinc/82/40/92/1076824092.db2.gz ZCZHIBVYLGTJPU-MRXNPFEDSA-N 0 0 419.459 2.386 20 5 HEBDRN CCOC(=O)COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000742327257 1076824770 /nfs/dbraw/zinc/82/47/70/1076824770.db2.gz GYZJSGSHYXVYHK-UHFFFAOYSA-N 0 0 411.388 2.313 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000742334188 1076825417 /nfs/dbraw/zinc/82/54/17/1076825417.db2.gz KPSAQMPJGYXPEM-UHFFFAOYSA-N 0 0 421.406 2.438 20 5 HEBDRN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000742311797 1076827383 /nfs/dbraw/zinc/82/73/83/1076827383.db2.gz SZJWGHPCZKSSMH-LLVKDONJSA-N 0 0 403.432 2.364 20 5 HEBDRN COc1cc(N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000742398710 1076834379 /nfs/dbraw/zinc/83/43/79/1076834379.db2.gz ZPHRSAMMMXVYEL-CQSZACIVSA-N 0 0 422.482 2.461 20 5 HEBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000742413278 1076836071 /nfs/dbraw/zinc/83/60/71/1076836071.db2.gz NAXVEDLLTDNOPA-MRXNPFEDSA-N 0 0 404.448 2.029 20 5 HEBDRN Cc1cccc(C2(O)CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)c1C ZINC000742416095 1076836312 /nfs/dbraw/zinc/83/63/12/1076836312.db2.gz QCGNAGQEHXUFKV-UHFFFAOYSA-N 0 0 405.476 2.347 20 5 HEBDRN O=[N+]([O-])c1ccc(N(CCO)CCc2ccccc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000742418306 1076836613 /nfs/dbraw/zinc/83/66/13/1076836613.db2.gz QCQNKPUUUNJSMM-UHFFFAOYSA-N 0 0 419.503 2.421 20 5 HEBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000742419877 1076836645 /nfs/dbraw/zinc/83/66/45/1076836645.db2.gz QUJNTLKSYKFAMA-QGZVFWFLSA-N 0 0 418.475 2.419 20 5 HEBDRN CS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000742421294 1076836827 /nfs/dbraw/zinc/83/68/27/1076836827.db2.gz MDLWOSUFHISWPN-GXTWGEPZSA-N 0 0 401.510 2.312 20 5 HEBDRN NC(=O)COc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 ZINC000742421607 1076837008 /nfs/dbraw/zinc/83/70/08/1076837008.db2.gz OIETVMMWLWAGGV-UHFFFAOYSA-N 0 0 415.374 2.067 20 5 HEBDRN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000742426763 1076837496 /nfs/dbraw/zinc/83/74/96/1076837496.db2.gz NXVUTMBGYKVOON-PTRXPTGYSA-N 0 0 407.370 2.310 20 5 HEBDRN Nn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C1CCOCC1 ZINC000742456012 1076843246 /nfs/dbraw/zinc/84/32/46/1076843246.db2.gz YJFMJFCANYTHRD-UHFFFAOYSA-N 0 0 412.859 2.178 20 5 HEBDRN COc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000742531260 1076848158 /nfs/dbraw/zinc/84/81/58/1076848158.db2.gz CYVYREZFOBQPIZ-UHFFFAOYSA-N 0 0 416.434 2.389 20 5 HEBDRN CCOC(=O)N[C@@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000742564392 1076849554 /nfs/dbraw/zinc/84/95/54/1076849554.db2.gz GIJWRDJBDVWGPX-CQSZACIVSA-N 0 0 401.423 2.274 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000742796544 1076880931 /nfs/dbraw/zinc/88/09/31/1076880931.db2.gz JUONSQHUSXXWPQ-SFHVURJKSA-N 0 0 412.402 2.261 20 5 HEBDRN CCOC(=O)c1cnc(N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)s1 ZINC000742852607 1076889190 /nfs/dbraw/zinc/88/91/90/1076889190.db2.gz ZQEAZEYQGIJKTF-UHFFFAOYSA-N 0 0 408.411 2.330 20 5 HEBDRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000742888392 1076892273 /nfs/dbraw/zinc/89/22/73/1076892273.db2.gz KPBXFWJPCCZEEQ-MRXNPFEDSA-N 0 0 400.453 2.111 20 5 HEBDRN CCc1ccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 ZINC000742905404 1076895540 /nfs/dbraw/zinc/89/55/40/1076895540.db2.gz YOSPVEWKMIEFCE-UHFFFAOYSA-N 0 0 422.441 2.102 20 5 HEBDRN COc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1N1CCOC1=O ZINC000742951345 1076899829 /nfs/dbraw/zinc/89/98/29/1076899829.db2.gz GQXADPUPBFCNBT-UHFFFAOYSA-N 0 0 424.373 2.393 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(CNC(C)=O)s2)c([N+](=O)[O-])c1 ZINC000743153868 1076969033 /nfs/dbraw/zinc/96/90/33/1076969033.db2.gz SGEKLCWWYGDYJR-SNVBAGLBSA-N 0 0 421.431 2.485 20 5 HEBDRN COc1ccc(OC)c2c1CN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000743292463 1077025695 /nfs/dbraw/zinc/02/56/95/1077025695.db2.gz ZKARHXHIQQDDNQ-MRXNPFEDSA-N 0 0 401.419 2.124 20 5 HEBDRN Cc1cccc(S(=O)(=O)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000743363510 1077032928 /nfs/dbraw/zinc/03/29/28/1077032928.db2.gz SEMLVNRCQCIWFO-UHFFFAOYSA-N 0 0 403.460 2.026 20 5 HEBDRN Cc1nsc(N2CCCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000743385187 1077038049 /nfs/dbraw/zinc/03/80/49/1077038049.db2.gz CXSIXCYKDURMEX-UHFFFAOYSA-N 0 0 400.468 2.183 20 5 HEBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC(OCC3CC3)CC2)C1=O ZINC000743407593 1077047856 /nfs/dbraw/zinc/04/78/56/1077047856.db2.gz SKFHECHSTZDNGQ-HXUWFJFHSA-N 0 0 402.451 2.210 20 5 HEBDRN CCc1nsc(N2CCCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000743409353 1077048319 /nfs/dbraw/zinc/04/83/19/1077048319.db2.gz IUKBIHURBKAVQQ-UHFFFAOYSA-N 0 0 404.452 2.086 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(C)o1 ZINC000743510850 1077065129 /nfs/dbraw/zinc/06/51/29/1077065129.db2.gz QEXRVDYWNWBZDR-AUUYWEPGSA-N 0 0 405.407 2.026 20 5 HEBDRN Cn1ccnc1[C@](O)(CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000743558960 1077069048 /nfs/dbraw/zinc/06/90/48/1077069048.db2.gz FIKRCUMJCDULMX-MRXNPFEDSA-N 0 0 415.372 2.010 20 5 HEBDRN CS(=O)(=O)c1ccc(N2CCN(Cc3cccc(Cl)n3)CC2)c([N+](=O)[O-])c1 ZINC000743835638 1077137019 /nfs/dbraw/zinc/13/70/19/1077137019.db2.gz DBTNOQFCEBKACW-UHFFFAOYSA-N 0 0 410.883 2.369 20 5 HEBDRN CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743951886 1077280500 /nfs/dbraw/zinc/28/05/00/1077280500.db2.gz BUYHUFQWNHDRST-FMIVXFBMSA-N 0 0 411.414 2.469 20 5 HEBDRN Cc1c(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000744148114 1077330935 /nfs/dbraw/zinc/33/09/35/1077330935.db2.gz IYZPURISHHCNGO-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2cccc(Nc3ncccn3)c2)c([N+](=O)[O-])c1 ZINC000744149928 1077331222 /nfs/dbraw/zinc/33/12/22/1077331222.db2.gz UARLJTDVVDCOOB-UHFFFAOYSA-N 0 0 422.401 2.496 20 5 HEBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000744195070 1077338185 /nfs/dbraw/zinc/33/81/85/1077338185.db2.gz PNEIVXMXFHOOPF-UHFFFAOYSA-N 0 0 416.415 2.309 20 5 HEBDRN CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Br)nc1 ZINC000744373962 1077370746 /nfs/dbraw/zinc/37/07/46/1077370746.db2.gz KTUGGJDWDNANBX-UHFFFAOYSA-N 0 0 414.237 2.432 20 5 HEBDRN NC(=O)c1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000744376208 1077374925 /nfs/dbraw/zinc/37/49/25/1077374925.db2.gz YDIBNPCOBRXAAX-SECBINFHSA-N 0 0 420.784 2.478 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406290 1077382185 /nfs/dbraw/zinc/38/21/85/1077382185.db2.gz AXTCCBHMAGALIF-ZDUSSCGKSA-N 0 0 400.395 2.331 20 5 HEBDRN CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438953 1077394443 /nfs/dbraw/zinc/39/44/43/1077394443.db2.gz VJWGQIUEXRKDGP-JTQLQIEISA-N 0 0 404.265 2.453 20 5 HEBDRN CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438790 1077395039 /nfs/dbraw/zinc/39/50/39/1077395039.db2.gz SWMIXEZMYOOMBM-GFCCVEGCSA-N 0 0 404.423 2.090 20 5 HEBDRN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766320386 1077450199 /nfs/dbraw/zinc/45/01/99/1077450199.db2.gz RUPOYGAGAKAWOC-CZUORRHYSA-N 0 0 403.460 2.335 20 5 HEBDRN C[C@@H](OC(=O)[C@]12CCC(=O)N1CCS2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744574374 1077488235 /nfs/dbraw/zinc/48/82/35/1077488235.db2.gz RRUGCFCZFNLHJD-BMLIUANNSA-N 0 0 404.404 2.315 20 5 HEBDRN Cc1ccc(N2CC[C@@H](OC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2=O)cc1 ZINC000744579997 1077493205 /nfs/dbraw/zinc/49/32/05/1077493205.db2.gz IDXTWTOOCIDSBX-MRXNPFEDSA-N 0 0 411.370 2.160 20 5 HEBDRN COC(=O)[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1F ZINC000744581476 1077495300 /nfs/dbraw/zinc/49/53/00/1077495300.db2.gz QAOBQBIZJLPZNV-MRXNPFEDSA-N 0 0 404.306 2.099 20 5 HEBDRN C[C@@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744601013 1077510453 /nfs/dbraw/zinc/51/04/53/1077510453.db2.gz CMBCYTJNAKBTMJ-CYBMUJFWSA-N 0 0 400.391 2.010 20 5 HEBDRN C[C@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744603493 1077513636 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CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772058505 1079677467 /nfs/dbraw/zinc/67/74/67/1079677467.db2.gz QGEWBISFCKJAHY-VIFPVBQESA-N 0 0 410.408 2.059 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(F)cc(F)cc2Br)n1 ZINC000772059918 1079679064 /nfs/dbraw/zinc/67/90/64/1079679064.db2.gz RJXMRQYNSGLSTF-UHFFFAOYSA-N 0 0 419.138 2.165 20 5 HEBDRN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n(C)n1 ZINC000767141565 1079679179 /nfs/dbraw/zinc/67/91/79/1079679179.db2.gz ZPUSLMDTVPXJCK-OAHLLOKOSA-N 0 0 416.438 2.263 20 5 HEBDRN O=C(CSc1nnc(CN2CCCC2=O)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000767118846 1079685649 /nfs/dbraw/zinc/68/56/49/1079685649.db2.gz IDAHLBXJOPJCJE-UHFFFAOYSA-N 0 0 411.827 2.484 20 5 HEBDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000772029064 1079686816 /nfs/dbraw/zinc/68/68/16/1079686816.db2.gz IIWCLURJFGVHIF-VIFPVBQESA-N 0 0 404.379 2.339 20 5 HEBDRN COC(=O)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccnc1 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OKCDWEMMIASPLS-UHFFFAOYSA-N 0 0 405.388 2.469 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCO1 ZINC000772296826 1079799432 /nfs/dbraw/zinc/79/94/32/1079799432.db2.gz QAIGXGZKHRHZHT-AWEZNQCLSA-N 0 0 422.438 2.281 20 5 HEBDRN COC(=O)/C=C/c1ccc(OCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000767299382 1079800171 /nfs/dbraw/zinc/80/01/71/1079800171.db2.gz PRPCSHWIWXBLQY-RUDMXATFSA-N 0 0 412.446 2.377 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000772300393 1079800950 /nfs/dbraw/zinc/80/09/50/1079800950.db2.gz KPMCQOKRZOUMFC-NSHDSACASA-N 0 0 417.260 2.482 20 5 HEBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCc1cccc2nsnc21 ZINC000767307243 1079803201 /nfs/dbraw/zinc/80/32/01/1079803201.db2.gz KXXGVZKBXZGADK-UHFFFAOYSA-N 0 0 422.444 2.011 20 5 HEBDRN COCCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC(C)(C)C ZINC000767339884 1079811614 /nfs/dbraw/zinc/81/16/14/1079811614.db2.gz UZUGSNGSTLOFHI-UHFFFAOYSA-N 0 0 417.484 2.065 20 5 HEBDRN O=C(Cn1cc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)cn1)NC1CCCC1 ZINC000772346074 1079834027 /nfs/dbraw/zinc/83/40/27/1079834027.db2.gz IFPUTTSPPKXFHY-UHFFFAOYSA-N 0 0 402.407 2.086 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000767411221 1079837123 /nfs/dbraw/zinc/83/71/23/1079837123.db2.gz QCWWAOOGJGOTED-GFCCVEGCSA-N 0 0 418.410 2.412 20 5 HEBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4OCC3)CC2)cn1 ZINC000772406624 1079843700 /nfs/dbraw/zinc/84/37/00/1079843700.db2.gz BXBDEWCCMSCUOV-UHFFFAOYSA-N 0 0 416.459 2.265 20 5 HEBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC000767443306 1079851809 /nfs/dbraw/zinc/85/18/09/1079851809.db2.gz UHASPZGBMCCUDT-UHFFFAOYSA-N 0 0 405.476 2.064 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000772414611 1079864289 /nfs/dbraw/zinc/86/42/89/1079864289.db2.gz WAVDQKWFYJGSNH-ZANVPECISA-N 0 0 404.828 2.086 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000767440196 1079864765 /nfs/dbraw/zinc/86/47/65/1079864765.db2.gz HBEIGPCGAVKIEU-IUODEOHRSA-N 0 0 423.422 2.101 20 5 HEBDRN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ncccc12 ZINC000767478147 1079895672 /nfs/dbraw/zinc/89/56/72/1079895672.db2.gz RRCCIKSGNAGCBV-JTQLQIEISA-N 0 0 417.399 2.303 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCN(C)C1=O)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000772515666 1079908818 /nfs/dbraw/zinc/90/88/18/1079908818.db2.gz WCSISZVKKDMFPT-GWCFXTLKSA-N 0 0 418.431 2.067 20 5 HEBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000772583932 1079944800 /nfs/dbraw/zinc/94/48/00/1079944800.db2.gz XLEWZZVVUZRWFO-SFHVURJKSA-N 0 0 410.434 2.100 20 5 HEBDRN CN(CC(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000772650733 1080012488 /nfs/dbraw/zinc/01/24/88/1080012488.db2.gz FCYJWKXDGOONOO-UHFFFAOYSA-N 0 0 412.402 2.080 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000767651147 1080022270 /nfs/dbraw/zinc/02/22/70/1080022270.db2.gz UATROOFSSNBVGO-UHFFFAOYSA-N 0 0 412.449 2.384 20 5 HEBDRN CC(C)N(C[C@@H](O)COc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000767662901 1080025541 /nfs/dbraw/zinc/02/55/41/1080025541.db2.gz JYWXJQXLQRMOEB-CYBMUJFWSA-N 0 0 400.478 2.495 20 5 HEBDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000767689527 1080041172 /nfs/dbraw/zinc/04/11/72/1080041172.db2.gz HWYKGZVHDPBWSG-OAHLLOKOSA-N 0 0 413.430 2.441 20 5 HEBDRN C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000767737263 1080058556 /nfs/dbraw/zinc/05/85/56/1080058556.db2.gz BFPBLWLKNHMCDM-MRVPVSSYSA-N 0 0 405.754 2.181 20 5 HEBDRN COc1cc(CCNC(=O)C(=O)NCc2c(C)cccc2C)c([N+](=O)[O-])cc1OC ZINC000785586994 1080062376 /nfs/dbraw/zinc/06/23/76/1080062376.db2.gz HNBLMONCQQTYIC-UHFFFAOYSA-N 0 0 415.446 2.204 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)NC1CCCC1 ZINC000767768385 1080077332 /nfs/dbraw/zinc/07/73/32/1080077332.db2.gz JIZVWQQSONTNKB-GFCCVEGCSA-N 0 0 407.423 2.313 20 5 HEBDRN COc1cc(COC(=O)CS(=O)(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000767815997 1080125174 /nfs/dbraw/zinc/12/51/74/1080125174.db2.gz WUVYGHZUROQVEC-UHFFFAOYSA-N 0 0 411.379 2.461 20 5 HEBDRN COCCC(=O)N1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000767817881 1080126902 /nfs/dbraw/zinc/12/69/02/1080126902.db2.gz HLYJKOFTISCRMT-UHFFFAOYSA-N 0 0 421.422 2.031 20 5 HEBDRN O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000785676137 1080154117 /nfs/dbraw/zinc/15/41/17/1080154117.db2.gz QCIZAWVZANDUDX-FUHWJXTLSA-N 0 0 414.418 2.107 20 5 HEBDRN COCc1ccc(CNC(=O)COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000785677322 1080155783 /nfs/dbraw/zinc/15/57/83/1080155783.db2.gz KASKZRWPEQJLII-UHFFFAOYSA-N 0 0 424.413 2.400 20 5 HEBDRN 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CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000786230429 1080509282 /nfs/dbraw/zinc/50/92/82/1080509282.db2.gz LWMLSJBSQVVSEZ-UHFFFAOYSA-N 0 0 400.844 2.440 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000786234869 1080511738 /nfs/dbraw/zinc/51/17/38/1080511738.db2.gz WSSGRVWNEJWZAE-UHFFFAOYSA-N 0 0 402.379 2.065 20 5 HEBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnnn1CC1CCOCC1 ZINC000768393584 1080540163 /nfs/dbraw/zinc/54/01/63/1080540163.db2.gz GDRSTUQEXSJYSG-LBPRGKRZSA-N 0 0 407.452 2.232 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)[C@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000786315642 1080559292 /nfs/dbraw/zinc/55/92/92/1080559292.db2.gz OJQKIJVYLOYBAY-ZDUSSCGKSA-N 0 0 400.453 2.347 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cc1 ZINC000768459255 1080581079 /nfs/dbraw/zinc/58/10/79/1080581079.db2.gz JXFMPJQZLWYGGI-UHFFFAOYSA-N 0 0 401.379 2.294 20 5 HEBDRN 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C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000769778755 1078562648 /nfs/dbraw/zinc/56/26/48/1078562648.db2.gz SIZYMVGSGFXCOY-VXKWHMMOSA-N 0 0 422.441 2.451 20 5 HEBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@]3(C2)OCc2ccccc23)C1=O ZINC000769778752 1078562658 /nfs/dbraw/zinc/56/26/58/1078562658.db2.gz SIZYMVGSGFXCOY-FGZHOGPDSA-N 0 0 422.441 2.451 20 5 HEBDRN C[C@@H]1Oc2ccc(C(=O)COC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000745614245 1078567334 /nfs/dbraw/zinc/56/73/34/1078567334.db2.gz GKHDTKJFZXCJKY-LBPRGKRZSA-N 0 0 413.386 2.177 20 5 HEBDRN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)NC1CCCCC1 ZINC000745616368 1078568612 /nfs/dbraw/zinc/56/86/12/1078568612.db2.gz USCIDIOMZWIEGX-ZDUSSCGKSA-N 0 0 406.439 2.121 20 5 HEBDRN C[C@H](OC(=O)C1(N2CCOCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000769813801 1078574249 /nfs/dbraw/zinc/57/42/49/1078574249.db2.gz CBAHNWDZLGSLSM-LBPRGKRZSA-N 0 0 411.842 2.373 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000769868325 1078588187 /nfs/dbraw/zinc/58/81/87/1078588187.db2.gz GMBBUJRDFMYXAV-JTQLQIEISA-N 0 0 405.498 2.411 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)n1nnc(-c2ccccc2)n1 ZINC000745679528 1078583464 /nfs/dbraw/zinc/58/34/64/1078583464.db2.gz BBXWUOQMPVLUHR-NSHDSACASA-N 0 0 414.353 2.130 20 5 HEBDRN C[C@@H](OC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000745679918 1078584441 /nfs/dbraw/zinc/58/44/41/1078584441.db2.gz CNPVUXYTXWAKGX-QWHCGFSZSA-N 0 0 410.390 2.380 20 5 HEBDRN O=C(OCCc1nnnn1-c1ccccc1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769840127 1078601179 /nfs/dbraw/zinc/60/11/79/1078601179.db2.gz SDUIVDDTYMXGRX-UHFFFAOYSA-N 0 0 419.195 2.128 20 5 HEBDRN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769833701 1078596797 /nfs/dbraw/zinc/59/67/97/1078596797.db2.gz QHHJXJYHTSQDGL-UHFFFAOYSA-N 0 0 420.175 2.205 20 5 HEBDRN C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)n1nnc(-c2ccccc2)n1 ZINC000745683972 1078598170 /nfs/dbraw/zinc/59/81/70/1078598170.db2.gz IPPZLSMEMHVEKW-GFCCVEGCSA-N 0 0 411.374 2.419 20 5 HEBDRN O=C(COC(=O)c1cnn2cc(Br)cnc12)Nc1ccccc1[N+](=O)[O-] ZINC000769896722 1078619678 /nfs/dbraw/zinc/61/96/78/1078619678.db2.gz LURFTAFNODHXPA-UHFFFAOYSA-N 0 0 420.179 2.196 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000769904489 1078626374 /nfs/dbraw/zinc/62/63/74/1078626374.db2.gz FGWRUUDLIIDHEZ-LSDHHAIUSA-N 0 0 417.915 2.478 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCNC(=O)c1ccccc1F ZINC000769897829 1078620927 /nfs/dbraw/zinc/62/09/27/1078620927.db2.gz XXWWHYSDSOVDCX-UHFFFAOYSA-N 0 0 415.830 2.404 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000769908298 1078629650 /nfs/dbraw/zinc/62/96/50/1078629650.db2.gz VGGUGGGBHTUWFA-AWEZNQCLSA-N 0 0 417.915 2.432 20 5 HEBDRN CCOC(=O)C1=C(COC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@@H]1C 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IMZZSKWXQVDFOD-UHFFFAOYSA-N 0 0 423.422 2.031 20 5 HEBDRN Cn1c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c4ncccc34)cc2n(C)c1=O ZINC000770281067 1078805448 /nfs/dbraw/zinc/80/54/48/1078805448.db2.gz DKOXDHICZLAVEA-UHFFFAOYSA-N 0 0 414.399 2.101 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000746149703 1078806877 /nfs/dbraw/zinc/80/68/77/1078806877.db2.gz QJQGDIZFRACVDE-AWEZNQCLSA-N 0 0 424.502 2.297 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccnc1-n1ccnc1C ZINC000746155513 1078808374 /nfs/dbraw/zinc/80/83/74/1078808374.db2.gz KTRYDJDMJCFJBM-OAHLLOKOSA-N 0 0 412.454 2.033 20 5 HEBDRN O=C(NCC1(O)CCC1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746285858 1078836012 /nfs/dbraw/zinc/83/60/12/1078836012.db2.gz ZKKOVHQGJWAZNU-UHFFFAOYSA-N 0 0 406.416 2.007 20 5 HEBDRN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000770427550 1078850779 /nfs/dbraw/zinc/85/07/79/1078850779.db2.gz RRRGZQVIJXYDMH-CYBMUJFWSA-N 0 0 405.405 2.209 20 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COC(=O)Cn1cc([C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000770702144 1078969951 /nfs/dbraw/zinc/96/99/51/1078969951.db2.gz NTFXWDNJLSREPM-JTQLQIEISA-N 0 0 417.403 2.401 20 5 HEBDRN COC(=O)C1(N(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCCC1 ZINC000770705166 1078973468 /nfs/dbraw/zinc/97/34/68/1078973468.db2.gz DBBWLDZEQAMXHK-LBPRGKRZSA-N 0 0 407.398 2.031 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000770829072 1079050058 /nfs/dbraw/zinc/05/00/58/1079050058.db2.gz JPXIXFFDPGOLTP-CRAIPNDOSA-N 0 0 411.414 2.123 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC001168857269 1079054386 /nfs/dbraw/zinc/05/43/86/1079054386.db2.gz RGTYVULBZZEPMK-MRXNPFEDSA-N 0 0 403.416 2.202 20 5 HEBDRN Cn1cc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000770837894 1079054451 /nfs/dbraw/zinc/05/44/51/1079054451.db2.gz WLVYPGDAJKTZJL-APWZRJJASA-N 0 0 410.430 2.210 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000766513343 1079054779 /nfs/dbraw/zinc/05/47/79/1079054779.db2.gz LZMHKGSRWNUGKZ-HNNXBMFYSA-N 0 0 421.475 2.492 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770887760 1079063603 /nfs/dbraw/zinc/06/36/03/1079063603.db2.gz DZFYFCVSLFFRNO-NSHDSACASA-N 0 0 404.373 2.474 20 5 HEBDRN C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1ccc(F)cc1 ZINC000766518541 1079066323 /nfs/dbraw/zinc/06/63/23/1079066323.db2.gz FAYMVULJPSKKTP-SFHVURJKSA-N 0 0 405.407 2.468 20 5 HEBDRN CN(CC(=O)OCCSC(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000770944848 1079087078 /nfs/dbraw/zinc/08/70/78/1079087078.db2.gz LHARWRSEQJMGQI-UHFFFAOYSA-N 0 0 402.372 2.012 20 5 HEBDRN O=C(COC(=O)c1ccc(I)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000770965383 1079090869 /nfs/dbraw/zinc/09/08/69/1079090869.db2.gz ICHGMJIRCQSOQU-UHFFFAOYSA-N 0 0 419.171 2.352 20 5 HEBDRN O=C(Cc1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1)NCCc1ccccc1 ZINC000770982921 1079094755 /nfs/dbraw/zinc/09/47/55/1079094755.db2.gz RMBGDCFPJQEAQI-UHFFFAOYSA-N 0 0 406.402 2.277 20 5 HEBDRN Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000766589898 1079128043 /nfs/dbraw/zinc/12/80/43/1079128043.db2.gz HBTABFRFMDISSK-LRDDRELGSA-N 0 0 421.841 2.035 20 5 HEBDRN CS[C@@H](C)Cc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771087148 1079137766 /nfs/dbraw/zinc/13/77/66/1079137766.db2.gz JTPRISGCAPMHLP-ZDUSSCGKSA-N 0 0 405.480 2.163 20 5 HEBDRN O=C(Cc1noc(COC2CCCC2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771087062 1079137798 /nfs/dbraw/zinc/13/77/98/1079137798.db2.gz WSFGTPFPGNGWOV-UHFFFAOYSA-N 0 0 415.450 2.328 20 5 HEBDRN O=C(Cc1noc([C@H]2CCCCO2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085244 1079136229 /nfs/dbraw/zinc/13/62/29/1079136229.db2.gz LJTMETMKZMJMTM-MRXNPFEDSA-N 0 0 401.423 2.111 20 5 HEBDRN Cc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)n1 ZINC000746305610 1079139903 /nfs/dbraw/zinc/13/99/03/1079139903.db2.gz RDMFDQOUFBAOEV-UHFFFAOYSA-N 0 0 406.424 2.242 20 5 HEBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](CO)Cc1cncs1 ZINC001169128372 1079147290 /nfs/dbraw/zinc/14/72/90/1079147290.db2.gz KNLCIKIMWXMCSU-JTQLQIEISA-N 0 0 400.254 2.076 20 5 HEBDRN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC000771148406 1079161226 /nfs/dbraw/zinc/16/12/26/1079161226.db2.gz LVYZCKPZDHQNCJ-UHFFFAOYSA-N 0 0 407.376 2.045 20 5 HEBDRN CCCCCCNC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000771165887 1079181104 /nfs/dbraw/zinc/18/11/04/1079181104.db2.gz QLFGDMJBWYXEKU-UHFFFAOYSA-N 0 0 410.452 2.287 20 5 HEBDRN COc1ccccc1S(=O)(=O)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000766672749 1079247330 /nfs/dbraw/zinc/24/73/30/1079247330.db2.gz APLLVCLBRJWTQN-UHFFFAOYSA-N 0 0 423.399 2.353 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)nc2)cc([N+](=O)[O-])c1 ZINC000766695305 1079283536 /nfs/dbraw/zinc/28/35/36/1079283536.db2.gz VANGJNLBNHXYRG-UHFFFAOYSA-N 0 0 400.210 2.408 20 5 HEBDRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766723274 1079311307 /nfs/dbraw/zinc/31/13/07/1079311307.db2.gz SDKSIOWGJWDPHM-SCLBCKFNSA-N 0 0 403.410 2.482 20 5 HEBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(N3CCCS3(=O)=O)cc2Cl)n1 ZINC000771384488 1079316956 /nfs/dbraw/zinc/31/69/56/1079316956.db2.gz WSNXXANCEGQGFV-UHFFFAOYSA-N 0 0 424.826 2.239 20 5 HEBDRN Cc1csc([C@@](O)(Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)C(F)(F)F)n1 ZINC000771392502 1079319735 /nfs/dbraw/zinc/31/97/35/1079319735.db2.gz XJZIZFHBOXVLHT-LBPRGKRZSA-N 0 0 404.330 2.136 20 5 HEBDRN COc1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000766771711 1079354923 /nfs/dbraw/zinc/35/49/23/1079354923.db2.gz JXVVKKAWXBEHJV-DOTOQJQBSA-N 0 0 403.439 2.135 20 5 HEBDRN O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000766779057 1079360955 /nfs/dbraw/zinc/36/09/55/1079360955.db2.gz TUZDUWCZGIZHGX-MRXNPFEDSA-N 0 0 418.475 2.213 20 5 HEBDRN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000771503596 1079364315 /nfs/dbraw/zinc/36/43/15/1079364315.db2.gz NXTNWMDUVSIKMA-MBNYWOFBSA-N 0 0 405.480 2.313 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000766788484 1079377431 /nfs/dbraw/zinc/37/74/31/1079377431.db2.gz YZBUDSVVQCZKLF-HXUWFJFHSA-N 0 0 413.430 2.351 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCOC1CCCCC1 ZINC000771587037 1079382312 /nfs/dbraw/zinc/38/23/12/1079382312.db2.gz WGDCVHLJLDZSLI-UHFFFAOYSA-N 0 0 400.453 2.156 20 5 HEBDRN Cc1nccn1-c1ncccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766817909 1079396826 /nfs/dbraw/zinc/39/68/26/1079396826.db2.gz UWLYDZUUSQKBLW-UHFFFAOYSA-N 0 0 401.448 2.146 20 5 HEBDRN O=C(Cc1noc(-c2cccc(N3CCOC3=O)c2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771622404 1079404705 /nfs/dbraw/zinc/40/47/05/1079404705.db2.gz AUARZESHCBOHDU-UHFFFAOYSA-N 0 0 423.385 2.460 20 5 HEBDRN Cc1nn2cc(S(=O)(=O)Oc3cc(N(C)C)ccc3[N+](=O)[O-])cnc2c1Cl ZINC000766832295 1079416064 /nfs/dbraw/zinc/41/60/64/1079416064.db2.gz TYSJZCIEKBFZCI-UHFFFAOYSA-N 0 0 411.827 2.433 20 5 HEBDRN COC(=O)C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCOC1 ZINC000771652296 1079423647 /nfs/dbraw/zinc/42/36/47/1079423647.db2.gz RTFJVTPMIKIDIP-HNNXBMFYSA-N 0 0 419.203 2.339 20 5 HEBDRN CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1CCOC ZINC000766848490 1079446216 /nfs/dbraw/zinc/44/62/16/1079446216.db2.gz ATEIIILMLAGIGO-AWEZNQCLSA-N 0 0 405.904 2.370 20 5 HEBDRN CCCC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000771753531 1079482713 /nfs/dbraw/zinc/48/27/13/1079482713.db2.gz YDEWQNNLVQPSFB-CYBMUJFWSA-N 0 0 401.460 2.359 20 5 HEBDRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000771743028 1079476164 /nfs/dbraw/zinc/47/61/64/1079476164.db2.gz MLFNGABXCPKEQP-ZDUSSCGKSA-N 0 0 401.460 2.359 20 5 HEBDRN CN(CC(=O)Nc1ccnn1C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737478598 1075910390 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BNJQXAPINSLFPS-UHFFFAOYSA-N 0 0 407.423 2.495 20 5 HEBDRN C[C@@H]1CCCC[C@@H]1OCCOC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738675144 1076015286 /nfs/dbraw/zinc/01/52/86/1076015286.db2.gz XQOXFIKRADEDIJ-PBHICJAKSA-N 0 0 414.480 2.354 20 5 HEBDRN COC(=O)CCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771781516 1079502595 /nfs/dbraw/zinc/50/25/95/1079502595.db2.gz UQSGFWFGEBKVFV-UHFFFAOYSA-N 0 0 411.411 2.191 20 5 HEBDRN COC(=O)Nc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000739094076 1076044260 /nfs/dbraw/zinc/04/42/60/1076044260.db2.gz PGLPMMMFRVCIFI-UHFFFAOYSA-N 0 0 400.391 2.379 20 5 HEBDRN COc1cc(N2CCC(OC(=O)[C@H]3CCCN(C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000739380965 1076056510 /nfs/dbraw/zinc/05/65/10/1076056510.db2.gz QBMGQCQUEXSZDU-HNNXBMFYSA-N 0 0 405.451 2.374 20 5 HEBDRN COc1cc(N2CCC(OC(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000739380967 1076056601 /nfs/dbraw/zinc/05/66/01/1076056601.db2.gz QBMGQCQUEXSZDU-OAHLLOKOSA-N 0 0 405.451 2.374 20 5 HEBDRN CCOc1ccc(N(C)C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000739771588 1076081792 /nfs/dbraw/zinc/08/17/92/1076081792.db2.gz RHNFXZKGFSDCSI-UHFFFAOYSA-N 0 0 407.448 2.325 20 5 HEBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000740115222 1076122070 /nfs/dbraw/zinc/12/20/70/1076122070.db2.gz WWEPSQKJZWUMNS-JKSUJKDBSA-N 0 0 423.516 2.358 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)c2ccnc(N3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000740314670 1076142368 /nfs/dbraw/zinc/14/23/68/1076142368.db2.gz XPMZQDLXDGLDMF-UHFFFAOYSA-N 0 0 415.406 2.179 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766250478 1076152340 /nfs/dbraw/zinc/15/23/40/1076152340.db2.gz VVFDCZZFJDCZEE-UHFFFAOYSA-N 0 0 406.439 2.229 20 5 HEBDRN CCOc1ccc(NC(=O)COC(=O)c2ccnc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000740345112 1076155359 /nfs/dbraw/zinc/15/53/59/1076155359.db2.gz AERVMFYEALAGAY-UHFFFAOYSA-N 0 0 411.374 2.370 20 5 HEBDRN COC(=O)C1(NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000740394500 1076161662 /nfs/dbraw/zinc/16/16/62/1076161662.db2.gz HVOIZKRJPPJSQD-UHFFFAOYSA-N 0 0 406.435 2.408 20 5 HEBDRN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740421588 1076167141 /nfs/dbraw/zinc/16/71/41/1076167141.db2.gz FDCTYQYHTXMRNO-UHFFFAOYSA-N 0 0 402.201 2.138 20 5 HEBDRN C[C@](O)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000740523957 1076205283 /nfs/dbraw/zinc/20/52/83/1076205283.db2.gz YYNBSKRGLXDMPS-INIZCTEOSA-N 0 0 415.374 2.220 20 5 HEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(OCCCOCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000740616153 1076206815 /nfs/dbraw/zinc/20/68/15/1076206815.db2.gz JNGBBNMLZJLNFZ-UHFFFAOYSA-N 0 0 402.303 2.254 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)CC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000740734074 1076219588 /nfs/dbraw/zinc/21/95/88/1076219588.db2.gz SPLVXAKYUYPZOW-KBXCAEBGSA-N 0 0 419.478 2.413 20 5 HEBDRN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000740807681 1076257368 /nfs/dbraw/zinc/25/73/68/1076257368.db2.gz PGSPLGDOKBMBRP-UHFFFAOYSA-N 0 0 424.366 2.335 20 5 HEBDRN O=C(NCCSC(F)(F)F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740907294 1076287156 /nfs/dbraw/zinc/28/71/56/1076287156.db2.gz OCSYYSULNNQUHZ-UHFFFAOYSA-N 0 0 406.386 2.315 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cnc1Cl ZINC000740895332 1076295303 /nfs/dbraw/zinc/29/53/03/1076295303.db2.gz KXXCMTSLSUXDKS-UHFFFAOYSA-N 0 0 424.866 2.098 20 5 HEBDRN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000740923905 1076307432 /nfs/dbraw/zinc/30/74/32/1076307432.db2.gz NXHOWVWAWPHWGR-UHFFFAOYSA-N 0 0 408.418 2.389 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000741005794 1076325794 /nfs/dbraw/zinc/32/57/94/1076325794.db2.gz WYSMVTKZQMTAEI-FZKQIMNGSA-N 0 0 402.403 2.467 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C[C@@H](C)O[C@H](C)C1 ZINC000741018482 1076337734 /nfs/dbraw/zinc/33/77/34/1076337734.db2.gz BIXWVBAQKRYMSC-VFVRVIDISA-N 0 0 411.430 2.349 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741018473 1076337877 /nfs/dbraw/zinc/33/78/77/1076337877.db2.gz BIXWVBAQKRYMSC-FHSNZYRGSA-N 0 0 411.430 2.349 20 5 HEBDRN CC(C)CCn1cc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000741111457 1076363569 /nfs/dbraw/zinc/36/35/69/1076363569.db2.gz OUEFNFSVQJHERZ-UHFFFAOYSA-N 0 0 415.859 2.347 20 5 HEBDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741097238 1076368845 /nfs/dbraw/zinc/36/88/45/1076368845.db2.gz CNSBEDVPDGDBKM-DOMZBBRYSA-N 0 0 406.439 2.295 20 5 HEBDRN C[S@](=O)CCN1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000741141767 1076383794 /nfs/dbraw/zinc/38/37/94/1076383794.db2.gz IYWBBOBAZYYVHO-LJAQVGFWSA-N 0 0 416.503 2.475 20 5 HEBDRN 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Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000742023141 1076720856 /nfs/dbraw/zinc/72/08/56/1076720856.db2.gz ZHBNXBQWHNHYST-HNNXBMFYSA-N 0 0 422.441 2.284 20 5 HEBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000742157908 1076770421 /nfs/dbraw/zinc/77/04/21/1076770421.db2.gz WRXYQOBSAZIONE-UHFFFAOYSA-N 0 0 412.431 2.287 20 5 HEBDRN NC(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742275212 1076808134 /nfs/dbraw/zinc/80/81/34/1076808134.db2.gz KXCZNFDPQKFIBB-UHFFFAOYSA-N 0 0 401.194 2.224 20 5 HEBDRN CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742307004 1076813546 /nfs/dbraw/zinc/81/35/46/1076813546.db2.gz YUNNSAQTJBLSAQ-YPMHNXCESA-N 0 0 410.901 2.225 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H]2CCO[C@H]21 ZINC000742301902 1076822697 /nfs/dbraw/zinc/82/26/97/1076822697.db2.gz BDFFXFMNNILKAF-ZWKOPEQDSA-N 0 0 405.270 2.449 20 5 HEBDRN 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O=[N+]([O-])c1nn(CN2CCn3c(nnc3-c3ccccc3)C2)cc1Br ZINC000743411645 1077048856 /nfs/dbraw/zinc/04/88/56/1077048856.db2.gz VOBSXZPKLQMOGR-UHFFFAOYSA-N 0 0 404.228 2.286 20 5 HEBDRN CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000743421991 1077050402 /nfs/dbraw/zinc/05/04/02/1077050402.db2.gz VWOZZECYJQBUAU-UHFFFAOYSA-N 0 0 404.810 2.205 20 5 HEBDRN O=C(c1coc(-c2cccnc2)n1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129327951 1077059286 /nfs/dbraw/zinc/05/92/86/1077059286.db2.gz WXPVXFPOBWDSFU-UHFFFAOYSA-N 0 0 407.386 2.243 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000743510698 1077065150 /nfs/dbraw/zinc/06/51/50/1077065150.db2.gz MWQAAJSEQJGYGQ-GOSISDBHSA-N 0 0 409.826 2.212 20 5 HEBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000743654783 1077088456 /nfs/dbraw/zinc/08/84/56/1077088456.db2.gz OYITYSFIUIZIMN-HNAYVOBHSA-N 0 0 421.475 2.063 20 5 HEBDRN 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O=Cc1ccc(OCC(=O)OCC(=O)c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000745000818 1077701442 /nfs/dbraw/zinc/70/14/42/1077701442.db2.gz CNNBMFKXLBTBOH-UHFFFAOYSA-N 0 0 409.354 2.398 20 5 HEBDRN Cc1cc(NC(=O)COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000745002387 1077703010 /nfs/dbraw/zinc/70/30/10/1077703010.db2.gz WOHFZVMSPQDHIX-UHFFFAOYSA-N 0 0 418.406 2.228 20 5 HEBDRN Cc1c(C(=O)OCc2nc(CC(F)(F)F)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000745016949 1077706821 /nfs/dbraw/zinc/70/68/21/1077706821.db2.gz KHSSXBVTNDBXPU-UHFFFAOYSA-N 0 0 412.284 2.329 20 5 HEBDRN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000745027525 1077709627 /nfs/dbraw/zinc/70/96/27/1077709627.db2.gz HRRWXSGBPAKGEF-QWRGUYRKSA-N 0 0 422.419 2.128 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccccc1 ZINC000745028788 1077709925 /nfs/dbraw/zinc/70/99/25/1077709925.db2.gz LADPPDHXUBHSMN-ZFWWWQNUSA-N 0 0 415.402 2.041 20 5 HEBDRN CC(C)CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028563 1077710022 /nfs/dbraw/zinc/71/00/22/1077710022.db2.gz KBHVAOJCGOWIGH-STQMWFEESA-N 0 0 411.480 2.355 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCCCC1 ZINC000745028642 1077710465 /nfs/dbraw/zinc/71/04/65/1077710465.db2.gz KSMUCRBWBAUYID-UONOGXRCSA-N 0 0 407.423 2.127 20 5 HEBDRN Cn1cc(N2CCC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)cn1 ZINC000745073467 1077719853 /nfs/dbraw/zinc/71/98/53/1077719853.db2.gz WYUAUDLCHZECFX-CQSZACIVSA-N 0 0 423.223 2.443 20 5 HEBDRN Cn1ccc(N2CCC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)n1 ZINC000745074676 1077720338 /nfs/dbraw/zinc/72/03/38/1077720338.db2.gz VNQVHYFJUIQPLZ-ZDUSSCGKSA-N 0 0 423.223 2.443 20 5 HEBDRN COc1ccc(CNC(=O)[C@@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000745335001 1077805248 /nfs/dbraw/zinc/80/52/48/1077805248.db2.gz LNRKQIHEYZPPTP-CYBMUJFWSA-N 0 0 402.403 2.403 20 5 HEBDRN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000745340781 1077810267 /nfs/dbraw/zinc/81/02/67/1077810267.db2.gz RBSQXRUWHCTUOQ-GOSISDBHSA-N 0 0 404.329 2.279 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc([N+](=O)[O-])c1F ZINC000771783639 1079505003 /nfs/dbraw/zinc/50/50/03/1079505003.db2.gz LLLKOGINFLBIQE-BBRMVZONSA-N 0 0 412.443 2.053 20 5 HEBDRN O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766932528 1079512090 /nfs/dbraw/zinc/51/20/90/1079512090.db2.gz NNGXBWNOCBZXRI-BONVTDFDSA-N 0 0 416.308 2.372 20 5 HEBDRN Cn1cnnc1Sc1ccc(C(=O)OCCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000766933549 1079512409 /nfs/dbraw/zinc/51/24/09/1079512409.db2.gz YLUQALQKBGUURL-UHFFFAOYSA-N 0 0 419.463 2.434 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)C[C@H](O)COCc2ccccc2)cc([N+](=O)[O-])c1F ZINC000771762423 1079515553 /nfs/dbraw/zinc/51/55/53/1079515553.db2.gz PIZIRRUEWKVUHY-HNNXBMFYSA-N 0 0 412.439 2.241 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1F ZINC000771764682 1079519665 /nfs/dbraw/zinc/51/96/65/1079519665.db2.gz ZRGCKYLRJCKFQY-JTQLQIEISA-N 0 0 420.365 2.039 20 5 HEBDRN Cc1c(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000766956188 1079520828 /nfs/dbraw/zinc/52/08/28/1079520828.db2.gz FQSFSIZOVPRNPV-UHFFFAOYSA-N 0 0 412.358 2.395 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2ccccc2CS(C)(=O)=O)cc([N+](=O)[O-])c1F ZINC000771769671 1079524430 /nfs/dbraw/zinc/52/44/30/1079524430.db2.gz QHVMRHVLPNJZJC-UHFFFAOYSA-N 0 0 416.452 2.065 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000771773416 1079526523 /nfs/dbraw/zinc/52/65/23/1079526523.db2.gz DMVIKPHMQZGCLV-AWEZNQCLSA-N 0 0 407.423 2.235 20 5 HEBDRN Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771802680 1079537557 /nfs/dbraw/zinc/53/75/57/1079537557.db2.gz DABHAOYKKREMFE-CQSZACIVSA-N 0 0 414.871 2.361 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000766965624 1079560469 /nfs/dbraw/zinc/56/04/69/1079560469.db2.gz IAZIKUCLJGPWET-UHFFFAOYSA-N 0 0 418.797 2.022 20 5 HEBDRN CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2c([N+](=O)[O-])cnn2C)C(C)C)c1 ZINC000766970005 1079565965 /nfs/dbraw/zinc/56/59/65/1079565965.db2.gz YWFMQGXFHMCROU-INIZCTEOSA-N 0 0 403.395 2.107 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCCc1cccc(Cl)c1Cl ZINC000766971249 1079566599 /nfs/dbraw/zinc/56/65/99/1079566599.db2.gz BPBTVSDWBARKQY-UHFFFAOYSA-N 0 0 401.206 2.151 20 5 HEBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766972239 1079567222 /nfs/dbraw/zinc/56/72/22/1079567222.db2.gz MICXFOKMQILFIM-UHFFFAOYSA-N 0 0 412.406 2.235 20 5 HEBDRN COC(=O)c1coc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000766981136 1079577948 /nfs/dbraw/zinc/57/79/48/1079577948.db2.gz ABVPDKNNXBEQGM-ZYHUDNBSSA-N 0 0 406.347 2.476 20 5 HEBDRN Cc1cnc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000771972070 1079616898 /nfs/dbraw/zinc/61/68/98/1079616898.db2.gz PVCFXCLGHCEOQB-AWEZNQCLSA-N 0 0 411.461 2.256 20 5 HEBDRN CCc1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1[N+](=O)[O-] ZINC000746524005 1079671278 /nfs/dbraw/zinc/67/12/78/1079671278.db2.gz VVYSNSDWVCKCOV-UHFFFAOYSA-N 0 0 405.423 2.151 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1 ZINC000772057339 1079676606 /nfs/dbraw/zinc/67/66/06/1079676606.db2.gz IUCGBZAQKRBUDO-UHFFFAOYSA-N 0 0 423.385 2.376 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000772059949 1079680582 /nfs/dbraw/zinc/68/05/82/1079680582.db2.gz SHKGCOVVOOOWHL-ZDUSSCGKSA-N 0 0 410.333 2.282 20 5 HEBDRN CCS[C@@H](C)c1noc(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000767272720 1079769500 /nfs/dbraw/zinc/76/95/00/1079769500.db2.gz VGBWDMAOMDFUEA-VIFPVBQESA-N 0 0 408.392 2.443 20 5 HEBDRN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CN1C(=O)c2ccccc2C1=O ZINC000767285807 1079789561 /nfs/dbraw/zinc/78/95/61/1079789561.db2.gz GAYYCSMNDRZHSB-UHFFFAOYSA-N 0 0 408.322 2.363 20 5 HEBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000772258926 1079792002 /nfs/dbraw/zinc/79/20/02/1079792002.db2.gz DKOKYVNRBPKUPB-UHFFFAOYSA-N 0 0 411.461 2.042 20 5 HEBDRN CCOC(=O)[C@]1(CCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCC1=O ZINC000767331659 1079808505 /nfs/dbraw/zinc/80/85/05/1079808505.db2.gz RCJTUODMRULYEJ-IBGZPJMESA-N 0 0 407.375 2.215 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767403159 1079835096 /nfs/dbraw/zinc/83/50/96/1079835096.db2.gz WXTRPCFPIDZVLH-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000772410182 1079845242 /nfs/dbraw/zinc/84/52/42/1079845242.db2.gz YMOMDELMASYPEF-ZANVPECISA-N 0 0 404.828 2.086 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000767398588 1079846861 /nfs/dbraw/zinc/84/68/61/1079846861.db2.gz BMPDPIRFUXVJFA-APPDUMDISA-N 0 0 405.382 2.171 20 5 HEBDRN C[C@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772371810 1079851217 /nfs/dbraw/zinc/85/12/17/1079851217.db2.gz BEOQMYZWOWQCIL-ZDUSSCGKSA-N 0 0 400.391 2.070 20 5 HEBDRN C[C@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772372954 1079851864 /nfs/dbraw/zinc/85/18/64/1079851864.db2.gz GZKZAUGKMKYDKY-ZDUSSCGKSA-N 0 0 400.391 2.070 20 5 HEBDRN COc1cc(COC(=O)[C@@H]2CCCCS2(=O)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000772416128 1079864772 /nfs/dbraw/zinc/86/47/72/1079864772.db2.gz OIQNJRMAFKZDFQ-ZDUSSCGKSA-N 0 0 409.363 2.215 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000772415927 1079864872 /nfs/dbraw/zinc/86/48/72/1079864872.db2.gz OORDHVJVIUPUDG-LBPRGKRZSA-N 0 0 424.353 2.063 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000767439949 1079864859 /nfs/dbraw/zinc/86/48/59/1079864859.db2.gz JSLKUBNJYPPFCO-UHFFFAOYSA-N 0 0 420.407 2.242 20 5 HEBDRN COc1cc(COC(=O)[C@H]2CCCCS2(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000772422480 1079868487 /nfs/dbraw/zinc/86/84/87/1079868487.db2.gz FASRGBCNONHYGZ-CQSZACIVSA-N 0 0 423.390 2.258 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000767453808 1079880474 /nfs/dbraw/zinc/88/04/74/1079880474.db2.gz UROBOYQDJMEYJJ-CQSZACIVSA-N 0 0 423.422 2.021 20 5 HEBDRN C[C@H](c1nccs1)N1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000767480007 1079897727 /nfs/dbraw/zinc/89/77/27/1079897727.db2.gz CFIWEFWURFMTDL-SNVBAGLBSA-N 0 0 401.290 2.347 20 5 HEBDRN C[C@@H](c1nccs1)N1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000767481812 1079899029 /nfs/dbraw/zinc/89/90/29/1079899029.db2.gz IZOWNEJAJBQIFT-ZDUSSCGKSA-N 0 0 416.463 2.204 20 5 HEBDRN C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)c1c[nH]c2ncccc12 ZINC000767521190 1079916387 /nfs/dbraw/zinc/91/63/87/1079916387.db2.gz WHQQMJRKSSSGIY-NSHDSACASA-N 0 0 424.369 2.011 20 5 HEBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000772575533 1079935374 /nfs/dbraw/zinc/93/53/74/1079935374.db2.gz WAYMOMUMMNEBRY-IBGZPJMESA-N 0 0 401.467 2.493 20 5 HEBDRN C[C@@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1c[nH]c2ncccc12 ZINC000767540115 1079942861 /nfs/dbraw/zinc/94/28/61/1079942861.db2.gz IQDBPIIIWHPVDN-SNVBAGLBSA-N 0 0 410.342 2.194 20 5 HEBDRN Cc1c(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000772581418 1079943153 /nfs/dbraw/zinc/94/31/53/1079943153.db2.gz VUKWVTHAHBSKOB-MRXNPFEDSA-N 0 0 403.395 2.131 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c2c(nn1C)CCCC2 ZINC000767580473 1079966160 /nfs/dbraw/zinc/96/61/60/1079966160.db2.gz LOWJFRKVIBBVNT-NSHDSACASA-N 0 0 402.407 2.400 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cs1 ZINC000767564014 1079973394 /nfs/dbraw/zinc/97/33/94/1079973394.db2.gz IJYAIRLWDXLBHC-VIFPVBQESA-N 0 0 410.395 2.203 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000767621840 1080013953 /nfs/dbraw/zinc/01/39/53/1080013953.db2.gz DHKPVAZVXJVGEF-UHFFFAOYSA-N 0 0 405.392 2.475 20 5 HEBDRN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cn(C)c1=O ZINC000767717380 1080049698 /nfs/dbraw/zinc/04/96/98/1080049698.db2.gz WFLRVOFEWUKKJA-UHFFFAOYSA-N 0 0 402.226 2.165 20 5 HEBDRN CN(CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)OCc1ccccc1 ZINC000785592920 1080066095 /nfs/dbraw/zinc/06/60/95/1080066095.db2.gz UIRSRBJHIIEYBR-UHFFFAOYSA-N 0 0 401.423 2.223 20 5 HEBDRN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000785595057 1080067367 /nfs/dbraw/zinc/06/73/67/1080067367.db2.gz LTZBAFVUPMGSHN-UHFFFAOYSA-N 0 0 412.855 2.326 20 5 HEBDRN CCN1C(=S)N=NC1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000767759355 1080073558 /nfs/dbraw/zinc/07/35/58/1080073558.db2.gz RNJHKNQYUCTNQD-UHFFFAOYSA-N 0 0 417.538 2.433 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000767760944 1080075008 /nfs/dbraw/zinc/07/50/08/1080075008.db2.gz PFHNJZMKJJKJTR-LBPRGKRZSA-N 0 0 407.423 2.313 20 5 HEBDRN Cc1sc(S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000767802781 1080107927 /nfs/dbraw/zinc/10/79/27/1080107927.db2.gz YPEUGTHHZCUODA-UHFFFAOYSA-N 0 0 415.415 2.044 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000767817773 1080126857 /nfs/dbraw/zinc/12/68/57/1080126857.db2.gz FSZXBEHKTYISMK-UHFFFAOYSA-N 0 0 404.400 2.298 20 5 HEBDRN Cc1cccc(OS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] ZINC000767818738 1080129488 /nfs/dbraw/zinc/12/94/88/1080129488.db2.gz KBARWCWBQXLXGT-UHFFFAOYSA-N 0 0 404.400 2.298 20 5 HEBDRN Cc1ccc(OS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000767822370 1080131716 /nfs/dbraw/zinc/13/17/16/1080131716.db2.gz ZGBMMCHWBOEYJZ-UHFFFAOYSA-N 0 0 404.400 2.298 20 5 HEBDRN NC(=O)CN1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000767847614 1080165542 /nfs/dbraw/zinc/16/55/42/1080165542.db2.gz ORDCVUNEZJLEET-UHFFFAOYSA-N 0 0 414.487 2.426 20 5 HEBDRN CN(CCCn1ccnc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000767852103 1080172551 /nfs/dbraw/zinc/17/25/51/1080172551.db2.gz XCZSMZXOADBWDI-UHFFFAOYSA-N 0 0 403.258 2.265 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)cc1Br ZINC000767854025 1080175236 /nfs/dbraw/zinc/17/52/36/1080175236.db2.gz IUOWRFZFBCECDA-STQMWFEESA-N 0 0 423.310 2.252 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000767855685 1080178820 /nfs/dbraw/zinc/17/88/20/1080178820.db2.gz YTDKHLIYFSFBIL-PWSUYJOCSA-N 0 0 423.310 2.252 20 5 HEBDRN C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2o1 ZINC000746560371 1080211787 /nfs/dbraw/zinc/21/17/87/1080211787.db2.gz CMYAKMWUGPWQQH-GFCCVEGCSA-N 0 0 410.386 2.381 20 5 HEBDRN COc1cccc(C[C@@H](O)C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000785705677 1080214905 /nfs/dbraw/zinc/21/49/05/1080214905.db2.gz HHPXFVUZPKPLSY-SJKOYZFVSA-N 0 0 418.402 2.086 20 5 HEBDRN COc1cccc(C[C@H](O)C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000785708088 1080216083 /nfs/dbraw/zinc/21/60/83/1080216083.db2.gz VWKIXLGJMCJQOO-INIZCTEOSA-N 0 0 408.794 2.342 20 5 HEBDRN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000785711547 1080221301 /nfs/dbraw/zinc/22/13/01/1080221301.db2.gz GRJMWSRKZIFDLN-LSDHHAIUSA-N 0 0 415.402 2.220 20 5 HEBDRN COc1cc(CCNC(=O)[C@]2(O)CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000785755134 1080233585 /nfs/dbraw/zinc/23/35/85/1080233585.db2.gz QKFXNHSYUZIENG-NRFANRHFSA-N 0 0 400.431 2.191 20 5 HEBDRN CN(C(=O)c1cc(OC(F)F)n(C)n1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767960552 1080252743 /nfs/dbraw/zinc/25/27/43/1080252743.db2.gz SROLIMCUNQOYIM-UHFFFAOYSA-N 0 0 424.769 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O=C(OCCN1C(=O)CNC1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000768092639 1080323655 /nfs/dbraw/zinc/32/36/55/1080323655.db2.gz AVASACURGHFCCC-UHFFFAOYSA-N 0 0 401.400 2.455 20 5 HEBDRN Cc1cc(N2CCC(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)n[nH]1 ZINC000785999590 1080358342 /nfs/dbraw/zinc/35/83/42/1080358342.db2.gz KPDYSVVNSBPNKZ-UHFFFAOYSA-N 0 0 406.830 2.003 20 5 HEBDRN COC(=O)CCn1nc(C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000768152738 1080372286 /nfs/dbraw/zinc/37/22/86/1080372286.db2.gz WKCZZAIKGUXHMB-UHFFFAOYSA-N 0 0 401.467 2.293 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1 ZINC000768156492 1080375347 /nfs/dbraw/zinc/37/53/47/1080375347.db2.gz LGQWTNPGIUYBLT-UHFFFAOYSA-N 0 0 411.867 2.460 20 5 HEBDRN COCCCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000768202818 1080392604 /nfs/dbraw/zinc/39/26/04/1080392604.db2.gz AMXOLWIJNZHAPS-LBPRGKRZSA-N 0 0 421.313 2.383 20 5 HEBDRN O=C(C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000768193187 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BXPYEAWSMMPHNL-UHFFFAOYSA-N 0 0 415.445 2.176 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CCN(C)C3=O)CC2)c1 ZINC000770444907 1078856947 /nfs/dbraw/zinc/85/69/47/1078856947.db2.gz JCYJNNFMEQOQLK-UHFFFAOYSA-N 0 0 401.872 2.190 20 5 HEBDRN Cc1cc(=O)c(C(=O)Nc2cnn(-c3ccccc3)n2)nn1-c1ccccc1[N+](=O)[O-] ZINC000770452889 1078859939 /nfs/dbraw/zinc/85/99/39/1078859939.db2.gz UTHJEPVSFZNRCC-UHFFFAOYSA-N 0 0 417.385 2.282 20 5 HEBDRN CC1(C)CC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O ZINC000746332520 1078862178 /nfs/dbraw/zinc/86/21/78/1078862178.db2.gz IKHAYZHHZDOJBH-UHFFFAOYSA-N 0 0 414.384 2.478 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000746389620 1078891532 /nfs/dbraw/zinc/89/15/32/1078891532.db2.gz QKCKQWDIMMACMZ-UHFFFAOYSA-N 0 0 421.435 2.026 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766368187 1078921977 /nfs/dbraw/zinc/92/19/77/1078921977.db2.gz YIUOAISTVXWZLC-UHFFFAOYSA-N 0 0 409.196 2.016 20 5 HEBDRN COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000770629287 1078922086 /nfs/dbraw/zinc/92/20/86/1078922086.db2.gz YLQQNOSIDYRTQE-QGZVFWFLSA-N 0 0 405.407 2.296 20 5 HEBDRN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ncccc21 ZINC000770673405 1078927424 /nfs/dbraw/zinc/92/74/24/1078927424.db2.gz URBALBGQGHKTTF-SFHVURJKSA-N 0 0 416.459 2.122 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCCO2 ZINC000746430147 1078942358 /nfs/dbraw/zinc/94/23/58/1078942358.db2.gz YREBGQMTFDHZHG-UHFFFAOYSA-N 0 0 409.420 2.160 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccn2)CC1 ZINC000746429826 1078943406 /nfs/dbraw/zinc/94/34/06/1078943406.db2.gz VLKCSTHVCZXAES-UHFFFAOYSA-N 0 0 421.479 2.253 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nn1 ZINC000770710849 1078979215 /nfs/dbraw/zinc/97/92/15/1078979215.db2.gz ODGYJVBJLXBIDG-CQSZACIVSA-N 0 0 420.425 2.224 20 5 HEBDRN CCc1sc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C(N)=O)c1C ZINC000770712601 1078980257 /nfs/dbraw/zinc/98/02/57/1078980257.db2.gz IXKVPHDOINHHAT-UHFFFAOYSA-N 0 0 411.461 2.282 20 5 HEBDRN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)CNC(=O)OC(C)(C)C ZINC000770769001 1078988381 /nfs/dbraw/zinc/98/83/81/1078988381.db2.gz RNFCZOUHXIYPLG-LLVKDONJSA-N 0 0 406.443 2.431 20 5 HEBDRN O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000804275732 1078990327 /nfs/dbraw/zinc/99/03/27/1078990327.db2.gz SZRUOGPHAGSGHE-CQSZACIVSA-N 0 0 423.422 2.132 20 5 HEBDRN Cn1cc([C@H](O)C[C@@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cn1 ZINC000766429402 1079000495 /nfs/dbraw/zinc/00/04/95/1079000495.db2.gz YPVNWWTYQBXAKP-QFBILLFUSA-N 0 0 424.461 2.385 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)CCc2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC000770871709 1079035543 /nfs/dbraw/zinc/03/55/43/1079035543.db2.gz OSVFWLZDLCGUJL-UHFFFAOYSA-N 0 0 401.375 2.010 20 5 HEBDRN CC(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000766494904 1079037711 /nfs/dbraw/zinc/03/77/11/1079037711.db2.gz OTTILQSMFNOWGM-UHFFFAOYSA-N 0 0 422.463 2.431 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000770914641 1079075533 /nfs/dbraw/zinc/07/55/33/1079075533.db2.gz UZJHETLKHJDTBP-UHFFFAOYSA-N 0 0 411.461 2.189 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC000746115531 1079081671 /nfs/dbraw/zinc/08/16/71/1079081671.db2.gz BBUDKYYICZMCNU-CQSZACIVSA-N 0 0 404.427 2.051 20 5 HEBDRN NC(=O)c1ccc(SCC(=O)OCc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000770923913 1079082575 /nfs/dbraw/zinc/08/25/75/1079082575.db2.gz GPAYLSCCULTQQN-UHFFFAOYSA-N 0 0 413.415 2.110 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1I)C1CCOCC1 ZINC000770965765 1079090846 /nfs/dbraw/zinc/09/08/46/1079090846.db2.gz OZXJVBPKSLYNBN-UHFFFAOYSA-N 0 0 419.171 2.352 20 5 HEBDRN CCO[C@H]1C[C@@H](OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000770997476 1079098408 /nfs/dbraw/zinc/09/84/08/1079098408.db2.gz YOQLIBUDYZXRJY-DLBZAZTESA-N 0 0 406.435 2.232 20 5 HEBDRN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])c1 ZINC000766570996 1079106025 /nfs/dbraw/zinc/10/60/25/1079106025.db2.gz OTQKYYANFDZIMN-UHFFFAOYSA-N 0 0 413.335 2.075 20 5 HEBDRN COC(=O)c1cc(F)c(C)c(OC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000766577798 1079117632 /nfs/dbraw/zinc/11/76/32/1079117632.db2.gz ZSKKWWGRKXLKHX-UHFFFAOYSA-N 0 0 404.306 2.342 20 5 HEBDRN CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1CCOC ZINC000766590212 1079127008 /nfs/dbraw/zinc/12/70/08/1079127008.db2.gz ITVGFJLNELHULQ-AWEZNQCLSA-N 0 0 412.874 2.146 20 5 HEBDRN C[C@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000771091194 1079147319 /nfs/dbraw/zinc/14/73/19/1079147319.db2.gz PAOKBWSKIBKGAL-VIFPVBQESA-N 0 0 411.330 2.289 20 5 HEBDRN Cc1sc2nnn(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(=O)c2c1C ZINC000771162036 1079176643 /nfs/dbraw/zinc/17/66/43/1079176643.db2.gz FTIUABRZFUNSEB-UHFFFAOYSA-N 0 0 400.464 2.158 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000780637166 1079201527 /nfs/dbraw/zinc/20/15/27/1079201527.db2.gz PYHPLNDRCQWODP-UHFFFAOYSA-N 0 0 414.461 2.451 20 5 HEBDRN CN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000771182817 1079212124 /nfs/dbraw/zinc/21/21/24/1079212124.db2.gz NYGUIHWDHKMZNO-UHFFFAOYSA-N 0 0 419.431 2.405 20 5 HEBDRN C[C@@H]1CN(C(=O)Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000771226820 1079216880 /nfs/dbraw/zinc/21/68/80/1079216880.db2.gz YGKARBHWPOAFOA-CHWSQXEVSA-N 0 0 412.406 2.009 20 5 HEBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)C1=NS(=O)(=O)c2ccccc21 ZINC000771223828 1079236478 /nfs/dbraw/zinc/23/64/78/1079236478.db2.gz HWMIRBVJXFNJNZ-UHFFFAOYSA-N 0 0 405.417 2.287 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000771302528 1079274964 /nfs/dbraw/zinc/27/49/64/1079274964.db2.gz 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414.374 2.110 20 5 HEBDRN CCn1c2ccc(-c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)cc2[nH]c(=O)c1=O ZINC000771398236 1079322718 /nfs/dbraw/zinc/32/27/18/1079322718.db2.gz PAYZFKSQRLYOAV-UHFFFAOYSA-N 0 0 423.385 2.267 20 5 HEBDRN COC(=O)C(C(=O)OC)c1ncc(NC[C@@H](C)c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001169539962 1079325605 /nfs/dbraw/zinc/32/56/05/1079325605.db2.gz RDOXJFVOPGCGDN-LLVKDONJSA-N 0 0 403.391 2.341 20 5 HEBDRN COC(=O)C1=NOC2(C1)CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000771455096 1079330842 /nfs/dbraw/zinc/33/08/42/1079330842.db2.gz KRMZTXHJGBVKAH-UHFFFAOYSA-N 0 0 407.398 2.322 20 5 HEBDRN CS(=O)(=O)c1ccc(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000804330792 1079333736 /nfs/dbraw/zinc/33/37/36/1079333736.db2.gz DIHYOESFLPRINX-UHFFFAOYSA-N 0 0 424.410 2.372 20 5 HEBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3nccn4c(Br)cnc34)n2)n1C ZINC000771460234 1079333938 /nfs/dbraw/zinc/33/39/38/1079333938.db2.gz XUPLGWGRCUGICB-UHFFFAOYSA-N 0 0 405.172 2.159 20 5 HEBDRN 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NC(=O)c1ccc(SCC(=O)OCc2nc(CC(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC000744561450 1077472214 /nfs/dbraw/zinc/47/22/14/1077472214.db2.gz XATUBUSNEUUPIK-UHFFFAOYSA-N 0 0 420.325 2.017 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@H](COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000744580841 1077493913 /nfs/dbraw/zinc/49/39/13/1077493913.db2.gz MEPBLGXPBIHRPG-LBPRGKRZSA-N 0 0 421.406 2.303 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000744615343 1077503222 /nfs/dbraw/zinc/50/32/22/1077503222.db2.gz XEKNLYUIMJRASH-ROUUACIJSA-N 0 0 401.419 2.263 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])cnc2C)C1=O ZINC000744596402 1077507155 /nfs/dbraw/zinc/50/71/55/1077507155.db2.gz UKWUKHRAAKUVTQ-CYBMUJFWSA-N 0 0 405.388 2.109 20 5 HEBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccnc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000744601015 1077510348 /nfs/dbraw/zinc/51/03/48/1077510348.db2.gz CMJKWSCYJKVXTO-AWEZNQCLSA-N 0 0 414.418 2.319 20 5 HEBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000744600845 1077510594 /nfs/dbraw/zinc/51/05/94/1077510594.db2.gz VGTIYYRUWDUUBR-UHFFFAOYSA-N 0 0 406.446 2.426 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000744661913 1077530306 /nfs/dbraw/zinc/53/03/06/1077530306.db2.gz NVRVGKPPPVZUGK-UHFFFAOYSA-N 0 0 400.435 2.124 20 5 HEBDRN CSCCCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744667088 1077533080 /nfs/dbraw/zinc/53/30/80/1077533080.db2.gz NRKLTXQYUMIZSY-OAHLLOKOSA-N 0 0 402.494 2.434 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCCN1c1ncccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744693124 1077545072 /nfs/dbraw/zinc/54/50/72/1077545072.db2.gz VVHWSMYHQUOUJO-SWLSCSKDSA-N 0 0 417.397 2.453 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCCN1c1ncccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744693126 1077545233 /nfs/dbraw/zinc/54/52/33/1077545233.db2.gz VVHWSMYHQUOUJO-WFASDCNBSA-N 0 0 417.397 2.453 20 5 HEBDRN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744677315 1077550489 /nfs/dbraw/zinc/55/04/89/1077550489.db2.gz FSYQYTVCPUYYCC-LBPRGKRZSA-N 0 0 407.423 2.447 20 5 HEBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000744766637 1077576376 /nfs/dbraw/zinc/57/63/76/1077576376.db2.gz LSWRHIQGUSYDMN-UHFFFAOYSA-N 0 0 415.314 2.499 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000744797268 1077596945 /nfs/dbraw/zinc/59/69/45/1077596945.db2.gz VYOZZVIMNWZCPL-UHFFFAOYSA-N 0 0 400.416 2.427 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(NC(C)=O)CCCCC1 ZINC000744822155 1077607644 /nfs/dbraw/zinc/60/76/44/1077607644.db2.gz NQFRMBSOQNBQDB-GFCCVEGCSA-N 0 0 407.423 2.313 20 5 HEBDRN CS(=O)(=O)Cc1noc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000744894627 1077635652 /nfs/dbraw/zinc/63/56/52/1077635652.db2.gz KWKIRWHLCVVJDD-UHFFFAOYSA-N 0 0 424.416 2.003 20 5 HEBDRN CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000744896592 1077638354 /nfs/dbraw/zinc/63/83/54/1077638354.db2.gz FIUIERHGQDLJJB-SWLSCSKDSA-N 0 0 407.423 2.265 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000744886569 1077652128 /nfs/dbraw/zinc/65/21/28/1077652128.db2.gz ZMBSXFCATIBKNN-UHFFFAOYSA-N 0 0 418.333 2.495 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000744925369 1077654466 /nfs/dbraw/zinc/65/44/66/1077654466.db2.gz JFEKBQLOSJSPAA-HNNXBMFYSA-N 0 0 416.821 2.104 20 5 HEBDRN COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1F ZINC000744925226 1077654473 /nfs/dbraw/zinc/65/44/73/1077654473.db2.gz UAXPNEGTCKAXIY-GFCCVEGCSA-N 0 0 422.413 2.264 20 5 HEBDRN CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744927803 1077655386 /nfs/dbraw/zinc/65/53/86/1077655386.db2.gz OIQXUHQOZVXBTA-VBQJREDUSA-N 0 0 405.451 2.354 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)n1 ZINC000744915628 1077665577 /nfs/dbraw/zinc/66/55/77/1077665577.db2.gz NWLYWPIYQGKZJK-CYBMUJFWSA-N 0 0 423.223 2.443 20 5 HEBDRN Cc1nn(CCC(=O)OCC(=O)c2ccc(N3CCOC3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000744921007 1077668334 /nfs/dbraw/zinc/66/83/34/1077668334.db2.gz NTMRODPBDHILIX-UHFFFAOYSA-N 0 0 416.390 2.181 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1SC ZINC000744951195 1077675236 /nfs/dbraw/zinc/67/52/36/1077675236.db2.gz BVYVTNRVNPZMIT-CYBMUJFWSA-N 0 0 420.447 2.330 20 5 HEBDRN CCCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744968915 1077683931 /nfs/dbraw/zinc/68/39/31/1077683931.db2.gz CBFHFJWAZKOWQN-IINYFYTJSA-N 0 0 413.427 2.306 20 5 HEBDRN CCCC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000744972905 1077687385 /nfs/dbraw/zinc/68/73/85/1077687385.db2.gz GVVYEDDLXSPMPT-DOMZBBRYSA-N 0 0 409.464 2.475 20 5 HEBDRN CCCC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000744972908 1077687399 /nfs/dbraw/zinc/68/73/99/1077687399.db2.gz GVVYEDDLXSPMPT-WFASDCNBSA-N 0 0 409.464 2.475 20 5 HEBDRN CCCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745030596 1077710777 /nfs/dbraw/zinc/71/07/77/1077710777.db2.gz WNYGWEICQKHNBF-STQMWFEESA-N 0 0 411.480 2.499 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000745147924 1077757772 /nfs/dbraw/zinc/75/77/72/1077757772.db2.gz RXNGQGFSBSFWEN-XCLFUZPHSA-N 0 0 402.403 2.467 20 5 HEBDRN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000745334424 1077805418 /nfs/dbraw/zinc/80/54/18/1077805418.db2.gz SZCRPLNRWMWPLZ-YOEHRIQHSA-N 0 0 414.414 2.367 20 5 HEBDRN O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2=O)cc1 ZINC000745334777 1077805444 /nfs/dbraw/zinc/80/54/44/1077805444.db2.gz YCILVVWZPRTCBB-UHFFFAOYSA-N 0 0 411.414 2.124 20 5 HEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000745330986 1077808508 /nfs/dbraw/zinc/80/85/08/1077808508.db2.gz AFQBWTSOQUMTAG-UHFFFAOYSA-N 0 0 401.394 2.168 20 5 HEBDRN CNC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000745369816 1077812949 /nfs/dbraw/zinc/81/29/49/1077812949.db2.gz HTKJWVZWEPHKTC-NSHDSACASA-N 0 0 401.375 2.147 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 ZINC000745386036 1077816182 /nfs/dbraw/zinc/81/61/82/1077816182.db2.gz MRNFQLUCTUDIIS-UHFFFAOYSA-N 0 0 403.366 2.108 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1F ZINC000771760119 1079514311 /nfs/dbraw/zinc/51/43/11/1079514311.db2.gz WRFAVRDJNJBYQR-ZDUSSCGKSA-N 0 0 400.403 2.311 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952063 1079518211 /nfs/dbraw/zinc/51/82/11/1079518211.db2.gz SISYTIVOITUBHO-ZBQZNYHESA-N 0 0 417.466 2.252 20 5 HEBDRN 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C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000772384375 1079856714 /nfs/dbraw/zinc/85/67/14/1079856714.db2.gz ZHSHVEVGOYCJNP-PWSUYJOCSA-N 0 0 419.356 2.252 20 5 HEBDRN C[C@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772392330 1079860009 /nfs/dbraw/zinc/86/00/09/1079860009.db2.gz TXSWSITZYZNEBW-ZDUSSCGKSA-N 0 0 400.391 2.070 20 5 HEBDRN Cc1ccc(NCc2ccc(C(=O)NCC(N)=O)cc2)c([N+](=O)[O-])c1Br ZINC000804353885 1079860985 /nfs/dbraw/zinc/86/09/85/1079860985.db2.gz FHQXWGQCWFKIDQ-UHFFFAOYSA-N 0 0 421.251 2.493 20 5 HEBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000767494777 1079887698 /nfs/dbraw/zinc/88/76/98/1079887698.db2.gz RFFZKJSDUGUDAY-CYBMUJFWSA-N 0 0 415.464 2.408 20 5 HEBDRN Cc1nc([C@](C)(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C2CC2)no1 ZINC001129369244 1079894289 /nfs/dbraw/zinc/89/42/89/1079894289.db2.gz BIWDQNIZUPGWGQ-LJQANCHMSA-N 0 0 401.423 2.178 20 5 HEBDRN 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O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cs1 ZINC000768791847 1080800106 /nfs/dbraw/zinc/80/01/06/1080800106.db2.gz DMCKTBFGYXCAJQ-OAHLLOKOSA-N 0 0 415.468 2.147 20 5 HEBDRN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000746608351 1080816200 /nfs/dbraw/zinc/81/62/00/1080816200.db2.gz GFCLVJPLNRDGBR-RISCZKNCSA-N 0 0 411.386 2.060 20 5 HEBDRN COc1cccc(CN(C)C(=O)COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000746608778 1080818758 /nfs/dbraw/zinc/81/87/58/1080818758.db2.gz MODDDMYIOGTCGJ-UHFFFAOYSA-N 0 0 406.366 2.323 20 5 HEBDRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838760 1080819849 /nfs/dbraw/zinc/81/98/49/1080819849.db2.gz KUTISIDFRHHUKU-LBPRGKRZSA-N 0 0 414.440 2.380 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1cc(=O)n2ccsc2n1 ZINC000786785432 1080821697 /nfs/dbraw/zinc/82/16/97/1080821697.db2.gz CQVGAAMDYNQNAB-UHFFFAOYSA-N 0 0 412.383 2.335 20 5 HEBDRN O=C(COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cccs1 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414.462 2.376 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708524 719865010 /nfs/dbraw/zinc/86/50/10/719865010.db2.gz ZRRMQNCLTLIJBV-LAUBAEHRSA-N 0 0 414.462 2.376 20 5 HEBDRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C3)n1 ZINC001164798883 720056033 /nfs/dbraw/zinc/05/60/33/720056033.db2.gz ACQFBIHBUKNCSL-XPTSAGLGSA-N 0 0 401.757 2.284 20 5 HEBDRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1 ZINC001164716777 720069967 /nfs/dbraw/zinc/06/99/67/720069967.db2.gz XDDPPLQUNQOTCU-JQWIXIFHSA-N 0 0 412.784 2.306 20 5 HEBDRN COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724048 720350121 /nfs/dbraw/zinc/35/01/21/720350121.db2.gz IXNPIRJRWWQPJP-STQMWFEESA-N 0 0 418.841 2.073 20 5 HEBDRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1 ZINC001164885374 721454684 /nfs/dbraw/zinc/45/46/84/721454684.db2.gz DJTMZXKONJIBIP-BNOWGMLFSA-N 0 0 416.812 2.451 20 5 HEBDRN O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c(Cl)c1 ZINC001164913652 721769241 /nfs/dbraw/zinc/76/92/41/721769241.db2.gz ZOSWVPSEELRTQN-IBGZPJMESA-N 0 0 419.869 2.146 20 5 HEBDRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2=O)cn1 ZINC001164980745 722094053 /nfs/dbraw/zinc/09/40/53/722094053.db2.gz MMBPFXFZIHZJGE-CABZTGNLSA-N 0 0 412.784 2.021 20 5 HEBDRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2=O)cn1 ZINC001164972951 722094522 /nfs/dbraw/zinc/09/45/22/722094522.db2.gz AJJUUVRKLLEHAJ-GXSJLCMTSA-N 0 0 412.784 2.021 20 5 HEBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001165003766 722263371 /nfs/dbraw/zinc/26/33/71/722263371.db2.gz KJTGWCPFDZZKIR-IBGZPJMESA-N 0 0 403.389 2.196 20 5 HEBDRN COc1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ncc1[N+](=O)[O-] ZINC001165005852 722263561 /nfs/dbraw/zinc/26/35/61/722263561.db2.gz DYLALKGEBVQKNB-HXUWFJFHSA-N 0 0 415.425 2.065 20 5 HEBDRN CCN(CC)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000745439713 1078494633 /nfs/dbraw/zinc/49/46/33/1078494633.db2.gz UXYDJAPDBJBVMQ-UHFFFAOYSA-N 0 0 421.317 2.066 20 5 HEBDRN Cn1c(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000769664568 1078504546 /nfs/dbraw/zinc/50/45/46/1078504546.db2.gz IDJIREKFCCGMFH-UHFFFAOYSA-N 0 0 408.370 2.492 20 5 HEBDRN CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769667225 1078506419 /nfs/dbraw/zinc/50/64/19/1078506419.db2.gz CMBHRLOSGBMNEM-LLVKDONJSA-N 0 0 405.407 2.098 20 5 HEBDRN CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(C)C ZINC000769672002 1078512575 /nfs/dbraw/zinc/51/25/75/1078512575.db2.gz IRFFUWJSXULRSB-CYBMUJFWSA-N 0 0 419.434 2.439 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000769759200 1078543669 /nfs/dbraw/zinc/54/36/69/1078543669.db2.gz WNRFUXQUNHOWSE-UHFFFAOYSA-N 0 0 413.496 2.456 20 5 HEBDRN C[C@H](OC(=O)c1cn(Cc2cccs2)nn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745560578 1078547460 /nfs/dbraw/zinc/54/74/60/1078547460.db2.gz FPISAWRHARRACA-NSHDSACASA-N 0 0 401.404 2.480 20 5 HEBDRN O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCCn1cccn1 ZINC000745568741 1078548766 /nfs/dbraw/zinc/54/87/66/1078548766.db2.gz SZVPTDUXIJURTL-UHFFFAOYSA-N 0 0 400.313 2.173 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745616666 1078560555 /nfs/dbraw/zinc/56/05/55/1078560555.db2.gz YBMXZQQHANTXCC-UHFFFAOYSA-N 0 0 418.362 2.130 20 5 HEBDRN O=C(CNC(=O)c1cc2ccccc2[nH]1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745642269 1078571745 /nfs/dbraw/zinc/57/17/45/1078571745.db2.gz CHSICUDHNZKOAG-GOSISDBHSA-N 0 0 422.397 2.155 20 5 HEBDRN C[C@@H](OC(=O)C1(N2CCOCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000769813798 1078574164 /nfs/dbraw/zinc/57/41/64/1078574164.db2.gz CBAHNWDZLGSLSM-GFCCVEGCSA-N 0 0 411.842 2.373 20 5 HEBDRN 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C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000738673810 1076014926 /nfs/dbraw/zinc/01/49/26/1076014926.db2.gz LELFAWOICAVWOZ-GFCCVEGCSA-N 0 0 424.406 2.169 20 5 HEBDRN C[C@H]1CCCC[C@@H]1OCCOC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738675150 1076015315 /nfs/dbraw/zinc/01/53/15/1076015315.db2.gz XQOXFIKRADEDIJ-YOEHRIQHSA-N 0 0 414.480 2.354 20 5 HEBDRN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000739160128 1076050980 /nfs/dbraw/zinc/05/09/80/1076050980.db2.gz KAJGKONFARLDDM-LBPRGKRZSA-N 0 0 423.403 2.428 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])c1 ZINC000739902381 1076091655 /nfs/dbraw/zinc/09/16/55/1076091655.db2.gz MOTREPOAJUHMFR-BBATYDOGSA-N 0 0 407.448 2.267 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCS(=O)(=O)Cc2ccccc2)c1C ZINC000739950576 1076096352 /nfs/dbraw/zinc/09/63/52/1076096352.db2.gz SBBSULOGOWJJNG-UHFFFAOYSA-N 0 0 412.489 2.105 20 5 HEBDRN 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CCOC(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OCC ZINC000786897883 1080874338 /nfs/dbraw/zinc/87/43/38/1080874338.db2.gz FXAZUPSEVHVWQR-UHFFFAOYSA-N 0 0 411.274 2.425 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCn2c(Br)cnc2C1 ZINC000786909523 1080878916 /nfs/dbraw/zinc/87/89/16/1080878916.db2.gz RGWSSUXOLCIGTO-UHFFFAOYSA-N 0 0 421.660 2.412 20 5 HEBDRN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000769046619 1080893894 /nfs/dbraw/zinc/89/38/94/1080893894.db2.gz DSQOLDAJJNWKMD-LBPRGKRZSA-N 0 0 406.420 2.027 20 5 HEBDRN O=C(COC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000769048663 1080894460 /nfs/dbraw/zinc/89/44/60/1080894460.db2.gz LUNPGMUBJPJPTF-UHFFFAOYSA-N 0 0 417.765 2.330 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC000769009796 1080897817 /nfs/dbraw/zinc/89/78/17/1080897817.db2.gz VYNHSWAIIDLJHW-UHFFFAOYSA-N 0 0 405.338 2.496 20 5 HEBDRN CN(CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000769093183 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RYNAVEDIKLPFNV-QMTHXVAHSA-N 0 0 401.757 2.284 20 5 HEBDRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C3)n1 ZINC001164798881 720055994 /nfs/dbraw/zinc/05/59/94/720055994.db2.gz ACQFBIHBUKNCSL-OTYXRUKQSA-N 0 0 401.757 2.284 20 5 HEBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCCn3nnc(Cn4ccnc4)c3C2)cnc1Cl ZINC001164826942 720397278 /nfs/dbraw/zinc/39/72/78/720397278.db2.gz FJNRLCPINKIUPT-UHFFFAOYSA-N 0 0 424.799 2.435 20 5 HEBDRN CCOC(=O)c1ccnc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164790249 721434118 /nfs/dbraw/zinc/43/41/18/721434118.db2.gz XGSRLISWDAPNOU-BETUJISGSA-N 0 0 403.464 2.191 20 5 HEBDRN Cn1ccc(CN2CCOCC23CCN(c2ncnc4ccc([N+](=O)[O-])cc42)CC3)n1 ZINC001164932957 721904749 /nfs/dbraw/zinc/90/47/49/721904749.db2.gz CSARLTIJBKWLBC-UHFFFAOYSA-N 0 0 423.477 2.143 20 5 HEBDRN CCOc1nc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC001164943081 721952139 /nfs/dbraw/zinc/95/21/39/721952139.db2.gz GJCHRGQWKSLYSQ-SJORKVTESA-N 0 0 403.439 2.083 20 5 HEBDRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001164948808 721982307 /nfs/dbraw/zinc/98/23/07/721982307.db2.gz LMYHNQJZTQEQPH-SKDRFNHKSA-N 0 0 410.830 2.048 20 5 HEBDRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC001164968851 722083193 /nfs/dbraw/zinc/08/31/93/722083193.db2.gz IAMRRGPFWSQAOF-HNNXBMFYSA-N 0 0 404.801 2.406 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC[C@H]32)cs1 ZINC001164989798 722184031 /nfs/dbraw/zinc/18/40/31/722184031.db2.gz MEAWNNQXPYMUGQ-MSOLQXFVSA-N 0 0 419.507 2.171 20 5 HEBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])c(C)n4)CC[C@@H]32)cs1 ZINC001164990852 722186142 /nfs/dbraw/zinc/18/61/42/722186142.db2.gz SBGSQIHIBDSYHA-DOTOQJQBSA-N 0 0 404.496 2.328 20 5 HEBDRN COc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ccc1[N+](=O)[O-] ZINC001165003884 722261919 /nfs/dbraw/zinc/26/19/19/722261919.db2.gz LLHGPJONJRZICH-HXUWFJFHSA-N 0 0 415.425 2.065 20 5 HEBDRN COc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000769623522 1078477761 /nfs/dbraw/zinc/47/77/61/1078477761.db2.gz OPSCIXDBOBTMEG-UHFFFAOYSA-N 0 0 401.335 2.327 20 5 HEBDRN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000769657800 1078494380 /nfs/dbraw/zinc/49/43/80/1078494380.db2.gz QIGRJLCVJFCODH-HNNXBMFYSA-N 0 0 408.212 2.021 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000769665500 1078506172 /nfs/dbraw/zinc/50/61/72/1078506172.db2.gz SZNNBWCCSDFYTN-UHFFFAOYSA-N 0 0 419.390 2.024 20 5 HEBDRN CC(C)C[C@@H](C)N(C)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769673831 1078515324 /nfs/dbraw/zinc/51/53/24/1078515324.db2.gz RZAXXHVBISOZQW-CYBMUJFWSA-N 0 0 419.434 2.298 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769691509 1078521569 /nfs/dbraw/zinc/52/15/69/1078521569.db2.gz MZDFIOVQVFDXNZ-UHFFFAOYSA-N 0 0 418.475 2.410 20 5 HEBDRN C[C@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000745517401 1078536896 /nfs/dbraw/zinc/53/68/96/1078536896.db2.gz XIVFUYMDDFCLMZ-JTQLQIEISA-N 0 0 421.385 2.125 20 5 HEBDRN C[C@@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000745517402 1078536944 /nfs/dbraw/zinc/53/69/44/1078536944.db2.gz XIVFUYMDDFCLMZ-SNVBAGLBSA-N 0 0 421.385 2.125 20 5 HEBDRN CN(CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)C(=O)OC(C)(C)C ZINC000769760875 1078544053 /nfs/dbraw/zinc/54/40/53/1078544053.db2.gz WCEYMAOVNQTLSL-UHFFFAOYSA-N 0 0 422.482 2.252 20 5 HEBDRN O=C(Nc1cccc(-n2ccnn2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000769753090 1078540493 /nfs/dbraw/zinc/54/04/93/1078540493.db2.gz OLQRYEPKXLUQNJ-GFCCVEGCSA-N 0 0 410.365 2.306 20 5 HEBDRN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cn(Cc2ccccn2)nn1 ZINC000745579552 1078551745 /nfs/dbraw/zinc/55/17/45/1078551745.db2.gz WVUCMNMTLZRIAH-UHFFFAOYSA-N 0 0 407.346 2.037 20 5 HEBDRN C[C@@H](OC(=O)c1cn(Cc2cccs2)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000745560276 1078546535 /nfs/dbraw/zinc/54/65/35/1078546535.db2.gz BSDAOAHJOWAXRP-LLVKDONJSA-N 0 0 401.404 2.480 20 5 HEBDRN O=C(COC(=O)c1cn(Cc2ccccn2)nn1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000745576962 1078550030 /nfs/dbraw/zinc/55/00/30/1078550030.db2.gz DGDAWICBBKZDDE-UHFFFAOYSA-N 0 0 416.781 2.079 20 5 HEBDRN COc1ccccc1CN(C)C(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745619242 1078560902 /nfs/dbraw/zinc/56/09/02/1078560902.db2.gz WMODIWCUJDSYIV-UHFFFAOYSA-N 0 0 401.419 2.241 20 5 HEBDRN CN(CC(=O)OCC(=O)NCCc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000745614278 1078567411 /nfs/dbraw/zinc/56/74/11/1078567411.db2.gz HPLDJTTVFDGJNZ-UHFFFAOYSA-N 0 0 422.441 2.481 20 5 HEBDRN CN(CC(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1[N+](=O)[O-] ZINC000745615241 1078567750 /nfs/dbraw/zinc/56/77/50/1078567750.db2.gz LQDUDFBQIMHPRM-UHFFFAOYSA-N 0 0 423.447 2.152 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1cc2ccccc2[nH]1 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20 5 HEBDRN CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)c(Cl)s1 ZINC000770651548 1078939346 /nfs/dbraw/zinc/93/93/46/1078939346.db2.gz OSMKIMXKBHJZRR-UHFFFAOYSA-N 0 0 410.882 2.192 20 5 HEBDRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000746437527 1078948990 /nfs/dbraw/zinc/94/89/90/1078948990.db2.gz YYMNBOPZNFWCSK-UHFFFAOYSA-N 0 0 404.398 2.289 20 5 HEBDRN CS(=O)(=O)c1cc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)c(Cl)s1 ZINC000770695909 1078964919 /nfs/dbraw/zinc/96/49/19/1078964919.db2.gz GRUPHLAZRYOUDR-UHFFFAOYSA-N 0 0 424.909 2.234 20 5 HEBDRN COC(=O)Cn1cc([C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nn1 ZINC000770697094 1078965508 /nfs/dbraw/zinc/96/55/08/1078965508.db2.gz BFPSOKNSVRCMMW-QMMMGPOBSA-N 0 0 413.184 2.040 20 5 HEBDRN O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000804275731 1078990213 /nfs/dbraw/zinc/99/02/13/1078990213.db2.gz SZRUOGPHAGSGHE-AWEZNQCLSA-N 0 0 423.422 2.132 20 5 HEBDRN Cc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)c1 ZINC000766493170 1079031307 /nfs/dbraw/zinc/03/13/07/1079031307.db2.gz FRRSGPVZLNXQHG-UHFFFAOYSA-N 0 0 411.462 2.097 20 5 HEBDRN CC(=O)N1CCC[C@H](COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000766480161 1079033489 /nfs/dbraw/zinc/03/34/89/1079033489.db2.gz PROHVLVTQXFUNK-LPHOPBHVSA-N 0 0 417.462 2.310 20 5 HEBDRN CN(C(=O)CCC(=O)c1ccccn1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770845715 1079035775 /nfs/dbraw/zinc/03/57/75/1079035775.db2.gz CJVPSUXJCKWECA-UHFFFAOYSA-N 0 0 411.823 2.453 20 5 HEBDRN CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000766485481 1079036272 /nfs/dbraw/zinc/03/62/72/1079036272.db2.gz UKAHCYAQWPDLDH-UHFFFAOYSA-N 0 0 402.388 2.426 20 5 HEBDRN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000766517515 1079064964 /nfs/dbraw/zinc/06/49/64/1079064964.db2.gz CUROOIBAKMYKLV-UHFFFAOYSA-N 0 0 407.326 2.025 20 5 HEBDRN Cc1nc2c(c(=O)[nH]1)CN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC001168939241 1079080541 /nfs/dbraw/zinc/08/05/41/1079080541.db2.gz NWWPZCWVLISHRU-UHFFFAOYSA-N 0 0 422.239 2.140 20 5 HEBDRN Cc1cnc([C@H](C)OC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000770930647 1079084409 /nfs/dbraw/zinc/08/44/09/1079084409.db2.gz MOQXQLMEFMATOW-VIFPVBQESA-N 0 0 403.800 2.127 20 5 HEBDRN O=C(Nc1ccccc1N1CCOC1=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766577033 1079116026 /nfs/dbraw/zinc/11/60/26/1079116026.db2.gz JSJFFADAMWYXOQ-UHFFFAOYSA-N 0 0 424.369 2.457 20 5 HEBDRN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000766589902 1079128081 /nfs/dbraw/zinc/12/80/81/1079128081.db2.gz HBTABFRFMDISSK-MLGOLLRUSA-N 0 0 421.841 2.035 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000746294738 1079137313 /nfs/dbraw/zinc/13/73/13/1079137313.db2.gz UQGKUDKKFJHZBZ-IAQYHMDHSA-N 0 0 417.466 2.476 20 5 HEBDRN Cc1ncsc1-c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771085743 1079136062 /nfs/dbraw/zinc/13/60/62/1079136062.db2.gz QDYPSXDSJGFRCH-UHFFFAOYSA-N 0 0 414.447 2.301 20 5 HEBDRN Cc1nc(C)c(-c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)o1 ZINC000771085739 1079136106 /nfs/dbraw/zinc/13/61/06/1079136106.db2.gz PYQQMHDMFQLVTJ-UHFFFAOYSA-N 0 0 412.406 2.141 20 5 HEBDRN Cc1nscc1-c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771090470 1079146706 /nfs/dbraw/zinc/14/67/06/1079146706.db2.gz ZMLOBXKLHINEMM-UHFFFAOYSA-N 0 0 414.447 2.301 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000771202354 1079202731 /nfs/dbraw/zinc/20/27/31/1079202731.db2.gz IMIHNMZKZNIFJP-CQSZACIVSA-N 0 0 423.219 2.398 20 5 HEBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1c1nccn2cnnc12 ZINC000771289015 1079241956 /nfs/dbraw/zinc/24/19/56/1079241956.db2.gz RYCYGEXDFDJFKF-NSHDSACASA-N 0 0 401.814 2.037 20 5 HEBDRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Oc2ccc(C)cc2[N+](=O)[O-])C1=O ZINC000771271765 1079260238 /nfs/dbraw/zinc/26/02/38/1079260238.db2.gz HEHMOAXIRNFXMH-FQEVSTJZSA-N 0 0 413.386 2.284 20 5 HEBDRN Cn1cc(Br)c(CNc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])n1 ZINC001169392471 1079262914 /nfs/dbraw/zinc/26/29/14/1079262914.db2.gz FEEZBCMGDXIRFC-UHFFFAOYSA-N 0 0 407.022 2.099 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(Nc2cccn(CC3CC3)c2=O)ccc1[N+](=O)[O-] ZINC001169454423 1079297919 /nfs/dbraw/zinc/29/79/19/1079297919.db2.gz IXVLIKGUDPCJSK-UHFFFAOYSA-N 0 0 415.402 2.340 20 5 HEBDRN Nc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c([N+](=O)[O-])c1 ZINC000804328043 1079305975 /nfs/dbraw/zinc/30/59/75/1079305975.db2.gz HCECBVYKMSEJLC-UHFFFAOYSA-N 0 0 402.476 2.177 20 5 HEBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000771398382 1079322875 /nfs/dbraw/zinc/32/28/75/1079322875.db2.gz ZBTOMHSPINHTFX-UHFFFAOYSA-N 0 0 400.439 2.395 20 5 HEBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771454924 1079331227 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WFYQYDVMQBUDJE-QGZVFWFLSA-N 0 0 401.354 2.427 20 5 HEBDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771489122 1079356472 /nfs/dbraw/zinc/35/64/72/1079356472.db2.gz RKZROKSWEIPSAS-UHFFFAOYSA-N 0 0 424.406 2.282 20 5 HEBDRN O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000766779054 1079360906 /nfs/dbraw/zinc/36/09/06/1079360906.db2.gz TUZDUWCZGIZHGX-INIZCTEOSA-N 0 0 418.475 2.213 20 5 HEBDRN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502129 1079360956 /nfs/dbraw/zinc/36/09/56/1079360956.db2.gz OYYWIQZSKSVIMU-CQSZACIVSA-N 0 0 419.488 2.464 20 5 HEBDRN O=C(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F ZINC000771504530 1079364596 /nfs/dbraw/zinc/36/45/96/1079364596.db2.gz XLSZAZWDKXSFFV-UHFFFAOYSA-N 0 0 411.321 2.385 20 5 HEBDRN Cc1nnnn1-c1cc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)ccc1F ZINC000771508665 1079365438 /nfs/dbraw/zinc/36/54/38/1079365438.db2.gz JQTINHKVAKSAMU-UHFFFAOYSA-N 0 0 400.355 2.275 20 5 HEBDRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000771511722 1079367221 /nfs/dbraw/zinc/36/72/21/1079367221.db2.gz VLZVYEKQVXDKAP-SDNWHVSQSA-N 0 0 401.444 2.464 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ccc(N2CCOCC2)nn1 ZINC001169742964 1079386278 /nfs/dbraw/zinc/38/62/78/1079386278.db2.gz BDRNFTFEXNFDLO-UHFFFAOYSA-N 0 0 407.814 2.274 20 5 HEBDRN Cc1ccc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1Br ZINC000804339171 1079395395 /nfs/dbraw/zinc/39/53/95/1079395395.db2.gz QLSMAYZOUDYCKU-GFCCVEGCSA-N 0 0 411.300 2.455 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766806896 1079392686 /nfs/dbraw/zinc/39/26/86/1079392686.db2.gz RHBXTIHSBMETNB-CQSZACIVSA-N 0 0 413.496 2.408 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000771621781 1079405048 /nfs/dbraw/zinc/40/50/48/1079405048.db2.gz KCWWYQNQFBIQLQ-OLZOCXBDSA-N 0 0 418.450 2.478 20 5 HEBDRN CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000771615855 1079398963 /nfs/dbraw/zinc/39/89/63/1079398963.db2.gz SUVQBCUWUJOTCH-OIISXLGYSA-N 0 0 412.464 2.010 20 5 HEBDRN CC(C)(C)OC(=O)NC1(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000771616993 1079399833 /nfs/dbraw/zinc/39/98/33/1079399833.db2.gz XOGQEOUKAONOMQ-UHFFFAOYSA-N 0 0 417.422 2.351 20 5 HEBDRN Cc1nn(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000771619805 1079403431 /nfs/dbraw/zinc/40/34/31/1079403431.db2.gz KZLVVBVNEPSUEB-UHFFFAOYSA-N 0 0 410.434 2.248 20 5 HEBDRN CN(Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)C(=O)OC(C)(C)C ZINC000771622407 1079404587 /nfs/dbraw/zinc/40/45/87/1079404587.db2.gz AUBBYCROLWHYOP-UHFFFAOYSA-N 0 0 405.411 2.204 20 5 HEBDRN CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766816237 1079408377 /nfs/dbraw/zinc/40/83/77/1079408377.db2.gz JVUMUZJTNWVVIM-UHFFFAOYSA-N 0 0 401.485 2.314 20 5 HEBDRN COC(=O)c1cc(C(=O)Nc2cn3cc(Br)ncc3n2)cc([N+](=O)[O-])c1 ZINC000771591755 1079418536 /nfs/dbraw/zinc/41/85/36/1079418536.db2.gz VMPFHHUTXCIBRF-UHFFFAOYSA-N 0 0 420.179 2.439 20 5 HEBDRN CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766824267 1079422851 /nfs/dbraw/zinc/42/28/51/1079422851.db2.gz JLEZYJUIZWFWDO-HNNXBMFYSA-N 0 0 413.496 2.408 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000771714090 1079459923 /nfs/dbraw/zinc/45/99/23/1079459923.db2.gz TYYHRRTTYGYMSI-UHFFFAOYSA-N 0 0 413.843 2.019 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCC(C)(C)CO)cc1 ZINC000771677913 1079463548 /nfs/dbraw/zinc/46/35/48/1079463548.db2.gz HWXMHUIUBPEGKN-UHFFFAOYSA-N 0 0 422.459 2.419 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(NC[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001169903260 1079471151 /nfs/dbraw/zinc/47/11/51/1079471151.db2.gz QYBZKFPLWGXEIQ-HNNXBMFYSA-N 0 0 416.430 2.288 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc([N+](=O)[O-])c1F ZINC000771735254 1079471150 /nfs/dbraw/zinc/47/11/50/1079471150.db2.gz SCPGMAVAJFIQNV-CYBMUJFWSA-N 0 0 422.438 2.477 20 5 HEBDRN O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737267921 1075896681 /nfs/dbraw/zinc/89/66/81/1075896681.db2.gz PEZQVCVSPJQTOT-UHFFFAOYSA-N 0 0 400.782 2.084 20 5 HEBDRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000737582442 1075909764 /nfs/dbraw/zinc/90/97/64/1075909764.db2.gz QIHVRHUXTAUAES-FQEVSTJZSA-N 0 0 412.377 2.090 20 5 HEBDRN CN(CC(=O)N(CCc1ccccc1)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737492617 1075910809 /nfs/dbraw/zinc/91/08/09/1075910809.db2.gz FTBCRYAZQSCQCV-UHFFFAOYSA-N 0 0 417.487 2.449 20 5 HEBDRN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1 ZINC000737625235 1075913622 /nfs/dbraw/zinc/91/36/22/1075913622.db2.gz SOBVHEYNFAHCBZ-QGZVFWFLSA-N 0 0 401.423 2.490 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Nc1nnc([C@@H]2CCCO2)o1 ZINC000766228092 1075928652 /nfs/dbraw/zinc/92/86/52/1075928652.db2.gz SRCHCQBTZBQIJC-ZDUSSCGKSA-N 0 0 413.346 2.173 20 5 HEBDRN COC(=O)c1cc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc(C(=O)OC)c1 ZINC000766888747 1079493136 /nfs/dbraw/zinc/49/31/36/1079493136.db2.gz QPNRTCUCSHSYDE-UHFFFAOYSA-N 0 0 402.359 2.416 20 5 HEBDRN COc1ccc(OS(=O)(=O)CCNC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000771724699 1079493303 /nfs/dbraw/zinc/49/33/03/1079493303.db2.gz JABJPBRBMHRAEC-UHFFFAOYSA-N 0 0 410.404 2.238 20 5 HEBDRN O=C(Oc1ccccc1)N1CCCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738145244 1075973592 /nfs/dbraw/zinc/97/35/92/1075973592.db2.gz QXEZPRRDUGNCCB-UHFFFAOYSA-N 0 0 424.413 2.355 20 5 HEBDRN Cn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC001169961697 1079496098 /nfs/dbraw/zinc/49/60/98/1079496098.db2.gz ALOAFEXZRBFXTN-IZHWHUGBSA-N 0 0 413.297 2.396 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)CC(C)(C)CN2CCOCC2)cc([N+](=O)[O-])c1F ZINC000771776710 1079498440 /nfs/dbraw/zinc/49/84/40/1079498440.db2.gz RJRMRRGOYNQMSX-UHFFFAOYSA-N 0 0 403.476 2.021 20 5 HEBDRN CS(=O)(=O)c1cccc(OCCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738618506 1076009549 /nfs/dbraw/zinc/00/95/49/1076009549.db2.gz UWAKXQGICFEWTL-UHFFFAOYSA-N 0 0 410.360 2.142 20 5 HEBDRN CC[C@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000738635203 1076011062 /nfs/dbraw/zinc/01/10/62/1076011062.db2.gz MZROXAMKHZETGK-KRWDZBQOSA-N 0 0 420.443 2.468 20 5 HEBDRN COc1ccc(CC(=O)OCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000738643780 1076011976 /nfs/dbraw/zinc/01/19/76/1076011976.db2.gz BZGISNHUSIZZKO-UHFFFAOYSA-N 0 0 409.416 2.172 20 5 HEBDRN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000739067381 1076035526 /nfs/dbraw/zinc/03/55/26/1076035526.db2.gz BLTIGBZDOUQHJC-HNNXBMFYSA-N 0 0 412.446 2.417 20 5 HEBDRN COc1cc(N2CCC(OC(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC000739379564 1076060626 /nfs/dbraw/zinc/06/06/26/1076060626.db2.gz HDAMALGSAAAUSY-CYBMUJFWSA-N 0 0 403.435 2.126 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000739510130 1076061495 /nfs/dbraw/zinc/06/14/95/1076061495.db2.gz OIEBABXBSKKIJY-HZPDHXFCSA-N 0 0 419.482 2.332 20 5 HEBDRN CCN1C(=S)N=NC1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739721164 1076078515 /nfs/dbraw/zinc/07/85/15/1076078515.db2.gz AHTTUBXRRLGOJY-UHFFFAOYSA-N 0 0 400.258 2.230 20 5 HEBDRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739747267 1076079963 /nfs/dbraw/zinc/07/99/63/1076079963.db2.gz WJFCTUXYJXYCCH-UHFFFAOYSA-N 0 0 411.462 2.468 20 5 HEBDRN CCOc1ccc(N(C)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000739774583 1076081758 /nfs/dbraw/zinc/08/17/58/1076081758.db2.gz POZCCHGBRNBKAV-UHFFFAOYSA-N 0 0 422.463 2.106 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000739977921 1076089848 /nfs/dbraw/zinc/08/98/48/1076089848.db2.gz VNUGTPVMKRXPKY-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN Nc1c(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc(F)cc1[N+](=O)[O-] ZINC000740155712 1076111941 /nfs/dbraw/zinc/11/19/41/1076111941.db2.gz SPTGFXDFASXNGR-CYBMUJFWSA-N 0 0 411.773 2.204 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000740142632 1076126525 /nfs/dbraw/zinc/12/65/25/1076126525.db2.gz SDARZJJDGBTIRY-UHFFFAOYSA-N 0 0 420.466 2.277 20 5 HEBDRN O=C(COC(=O)c1ccnc(N2CCCCC2)n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000740310986 1076141121 /nfs/dbraw/zinc/14/11/21/1076141121.db2.gz CEIJRLWAWPFLEK-UHFFFAOYSA-N 0 0 403.370 2.310 20 5 HEBDRN COc1cc(COC(=O)CNC(=O)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000740336621 1076145988 /nfs/dbraw/zinc/14/59/88/1076145988.db2.gz DTTSMEWWQGGECA-UHFFFAOYSA-N 0 0 411.317 2.073 20 5 HEBDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740758734 1076229158 /nfs/dbraw/zinc/22/91/58/1076229158.db2.gz JXCCZOQJRHGUPZ-AWEZNQCLSA-N 0 0 411.414 2.460 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000766256161 1076248728 /nfs/dbraw/zinc/24/87/28/1076248728.db2.gz DZOVRQZUDGAJJM-FQEVSTJZSA-N 0 0 401.394 2.409 20 5 HEBDRN CCO[C@@H]1C[C@H](N(C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863603 1076273784 /nfs/dbraw/zinc/27/37/84/1076273784.db2.gz VFHAYEDVHIHAJR-RZQQEMMASA-N 0 0 404.467 2.455 20 5 HEBDRN COC(=O)CNC(=O)c1ccc(NC[C@@H](O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000740871589 1076276310 /nfs/dbraw/zinc/27/63/10/1076276310.db2.gz GOXNYRPERPISRE-MRXNPFEDSA-N 0 0 407.810 2.297 20 5 HEBDRN CC(C)(C)N1C[C@@H](C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000740953872 1076312471 /nfs/dbraw/zinc/31/24/71/1076312471.db2.gz HDZGCMAIARXQPU-LBPRGKRZSA-N 0 0 405.407 2.083 20 5 HEBDRN CNC(=O)c1cc(C)ccc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000741198589 1076413523 /nfs/dbraw/zinc/41/35/23/1076413523.db2.gz HAZZCHKMONCOOG-UHFFFAOYSA-N 0 0 421.413 2.369 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000741258388 1076447058 /nfs/dbraw/zinc/44/70/58/1076447058.db2.gz AFNNTBMHEAGVRK-OASPWFOLSA-N 0 0 405.270 2.449 20 5 HEBDRN Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000741307968 1076462927 /nfs/dbraw/zinc/46/29/27/1076462927.db2.gz WHJWANUIHZGWSR-DLBZAZTESA-N 0 0 401.419 2.259 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCOC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000741324198 1076476207 /nfs/dbraw/zinc/47/62/07/1076476207.db2.gz UDEPOHGMHIIOIY-FUHWJXTLSA-N 0 0 406.435 2.247 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384705 1076508710 /nfs/dbraw/zinc/50/87/10/1076508710.db2.gz DPPZJUSISUTBJC-DNVCBOLYSA-N 0 0 413.430 2.366 20 5 HEBDRN C[C@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000741437882 1076528813 /nfs/dbraw/zinc/52/88/13/1076528813.db2.gz KVLZXCGWLDWYLZ-ZDUSSCGKSA-N 0 0 407.423 2.278 20 5 HEBDRN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000741441663 1076531221 /nfs/dbraw/zinc/53/12/21/1076531221.db2.gz ZWIRNIPELGAEAG-UHFFFAOYSA-N 0 0 417.813 2.041 20 5 HEBDRN O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000741583528 1076554051 /nfs/dbraw/zinc/55/40/51/1076554051.db2.gz AAMQWOJRCYFSAO-LBPRGKRZSA-N 0 0 408.411 2.420 20 5 HEBDRN Cc1c(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000741621903 1076559858 /nfs/dbraw/zinc/55/98/58/1076559858.db2.gz KAFBBBHVQOTHGV-GOSISDBHSA-N 0 0 420.429 2.328 20 5 HEBDRN COC(=O)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(OC)c(OC)c1 ZINC000741637421 1076566150 /nfs/dbraw/zinc/56/61/50/1076566150.db2.gz NAPSZMCCLRZIFW-UHFFFAOYSA-N 0 0 414.374 2.387 20 5 HEBDRN CCCN1C(=S)N[C@@H](c2cn(C)nn2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C ZINC000741648856 1076569073 /nfs/dbraw/zinc/56/90/73/1076569073.db2.gz JEUXYXAQBLJNQI-INIZCTEOSA-N 0 0 415.479 2.277 20 5 HEBDRN Cn1cc(N2CCC[C@H](NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000741629796 1076571890 /nfs/dbraw/zinc/57/18/90/1076571890.db2.gz RNXYSYAFBBFDJH-LBPRGKRZSA-N 0 0 408.256 2.490 20 5 HEBDRN C[S@](=O)CCN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000741747683 1076607671 /nfs/dbraw/zinc/60/76/71/1076607671.db2.gz FIYKDWJBTBIDKG-NDEPHWFRSA-N 0 0 401.488 2.326 20 5 HEBDRN C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000741728404 1076609217 /nfs/dbraw/zinc/60/92/17/1076609217.db2.gz AJUIHXIGCNVTQB-RYUDHWBXSA-N 0 0 421.841 2.333 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000741731510 1076610734 /nfs/dbraw/zinc/61/07/34/1076610734.db2.gz OXBQJHXKLKWULA-VZLFFANISA-N 0 0 413.434 2.079 20 5 HEBDRN Cc1cccc(C(=O)O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000741819688 1076639239 /nfs/dbraw/zinc/63/92/39/1076639239.db2.gz PPKBJCLCONQYFZ-ZIAGYGMSSA-N 0 0 400.387 2.405 20 5 HEBDRN NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Br)cc1F ZINC000741822186 1076652703 /nfs/dbraw/zinc/65/27/03/1076652703.db2.gz VPUBDUAEUHKREA-ZDUSSCGKSA-N 0 0 412.171 2.462 20 5 HEBDRN CN(CCCC(=O)NCc1ccccc1[N+](=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000741901769 1076665195 /nfs/dbraw/zinc/66/51/95/1076665195.db2.gz DRZBHHBUNBTTIK-UHFFFAOYSA-N 0 0 416.459 2.072 20 5 HEBDRN O=C(COC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000741921537 1076676164 /nfs/dbraw/zinc/67/61/64/1076676164.db2.gz ZYYRCMBJABNRQP-HNNXBMFYSA-N 0 0 412.402 2.024 20 5 HEBDRN Cn1ccc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)n1 ZINC000742021591 1076710595 /nfs/dbraw/zinc/71/05/95/1076710595.db2.gz SEEVEZWIHRCSHM-ZDUSSCGKSA-N 0 0 422.239 2.016 20 5 HEBDRN O=C(Nc1n[nH]c2ccccc21)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000742043958 1076715946 /nfs/dbraw/zinc/71/59/46/1076715946.db2.gz PVLUCRWFQPLPCX-MRXNPFEDSA-N 0 0 415.431 2.263 20 5 HEBDRN O=C(c1cccc(F)c1)N1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742145066 1076758250 /nfs/dbraw/zinc/75/82/50/1076758250.db2.gz CBXGYOAYMVULJA-UHFFFAOYSA-N 0 0 410.409 2.408 20 5 HEBDRN C[C@H]1CN=C(N2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)S1 ZINC000742192187 1076782369 /nfs/dbraw/zinc/78/23/69/1076782369.db2.gz XBTDVFWCFNFCSK-ZDUSSCGKSA-N 0 0 400.464 2.030 20 5 HEBDRN CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742278608 1076809126 /nfs/dbraw/zinc/80/91/26/1076809126.db2.gz GQMDQNDBTIWWEC-UHFFFAOYSA-N 0 0 400.457 2.010 20 5 HEBDRN CCOc1ccc(NC(=O)CNc2ccc(OC)c(-n3cnnn3)c2)c([N+](=O)[O-])c1 ZINC000742261185 1076810604 /nfs/dbraw/zinc/81/06/04/1076810604.db2.gz GLRLYOFUVYMHKF-UHFFFAOYSA-N 0 0 413.394 2.028 20 5 HEBDRN Cn1cc(C(C)(C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000742306657 1076813695 /nfs/dbraw/zinc/81/36/95/1076813695.db2.gz INXBOUASBBGYPQ-UHFFFAOYSA-N 0 0 403.258 2.304 20 5 HEBDRN COC(=O)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC(C)C ZINC000742309684 1076814751 /nfs/dbraw/zinc/81/47/51/1076814751.db2.gz SXXGAJVTJDTLGG-SNVBAGLBSA-N 0 0 423.285 2.471 20 5 HEBDRN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742289171 1076817831 /nfs/dbraw/zinc/81/78/31/1076817831.db2.gz VQRYAVLETNUKGT-VIFPVBQESA-N 0 0 421.269 2.320 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H]2CCO[C@H]21 ZINC000742301900 1076822713 /nfs/dbraw/zinc/82/27/13/1076822713.db2.gz BDFFXFMNNILKAF-OASPWFOLSA-N 0 0 405.270 2.449 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000742334102 1076825309 /nfs/dbraw/zinc/82/53/09/1076825309.db2.gz FENPBGOMZBDFCR-UHFFFAOYSA-N 0 0 421.406 2.438 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000742333842 1076825458 /nfs/dbraw/zinc/82/54/58/1076825458.db2.gz BWPYALNEXYEGSD-UHFFFAOYSA-N 0 0 417.443 2.440 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000742389549 1076833374 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COCCOc1cccc(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000772389927 1079858516 /nfs/dbraw/zinc/85/85/16/1079858516.db2.gz DSHFDVSDLQUGMC-UHFFFAOYSA-N 0 0 414.414 2.295 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000767438521 1079864201 /nfs/dbraw/zinc/86/42/01/1079864201.db2.gz ASYSHSMFYKAFFZ-OAHLLOKOSA-N 0 0 423.422 2.021 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000767438520 1079864279 /nfs/dbraw/zinc/86/42/79/1079864279.db2.gz ASYSHSMFYKAFFZ-HNNXBMFYSA-N 0 0 423.422 2.021 20 5 HEBDRN O=C(CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000804354676 1079869623 /nfs/dbraw/zinc/86/96/23/1079869623.db2.gz ITYFVDRPXINFMN-UHFFFAOYSA-N 0 0 411.418 2.214 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000767448456 1079875968 /nfs/dbraw/zinc/87/59/68/1079875968.db2.gz KXYPNTWFEGAZFM-HNNXBMFYSA-N 0 0 423.422 2.021 20 5 HEBDRN 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ZINC000766712628 1079300574 /nfs/dbraw/zinc/30/05/74/1079300574.db2.gz WKYSYMSPMKKHKQ-UHFFFAOYSA-N 0 0 410.342 2.359 20 5 HEBDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000766727534 1079305198 /nfs/dbraw/zinc/30/51/98/1079305198.db2.gz WBFCJCHBWBLYCW-GTNSWQLSSA-N 0 0 410.423 2.379 20 5 HEBDRN COc1cncc(N2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC2)c1 ZINC001169468912 1079308943 /nfs/dbraw/zinc/30/89/43/1079308943.db2.gz LBRKHTXZKRRYRG-UHFFFAOYSA-N 0 0 409.805 2.336 20 5 HEBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)n1 ZINC000771389227 1079318272 /nfs/dbraw/zinc/31/82/72/1079318272.db2.gz GGCKPSZXJFFWMW-LLVKDONJSA-N 0 0 408.415 2.294 20 5 HEBDRN Cc1ccc(C2N=NC(=S)N2CCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000771391577 1079318985 /nfs/dbraw/zinc/31/89/85/1079318985.db2.gz QGYSUXSWGJOUPX-UHFFFAOYSA-N 0 0 412.435 2.477 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(CCNC(=O)OCC(F)(F)F)n2)c1 ZINC000771394911 1079320483 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YBIQJGFARCHYHF-UHFFFAOYSA-N 0 0 423.385 2.239 20 5 HEBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001169667512 1079362363 /nfs/dbraw/zinc/36/23/63/1079362363.db2.gz VVNIYIYDHWWCJU-CYBMUJFWSA-N 0 0 411.455 2.293 20 5 HEBDRN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503785 1079364339 /nfs/dbraw/zinc/36/43/39/1079364339.db2.gz SZYUJVYNHCURMV-JTQLQIEISA-N 0 0 404.433 2.299 20 5 HEBDRN C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1(N2CCOCC2)CCCC1 ZINC000771511281 1079366525 /nfs/dbraw/zinc/36/65/25/1079366525.db2.gz TVYAOIDLBIUMFN-GFCCVEGCSA-N 0 0 405.480 2.363 20 5 HEBDRN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771510836 1079366915 /nfs/dbraw/zinc/36/69/15/1079366915.db2.gz UIDKCEUDRZAXTK-QMMMGPOBSA-N 0 0 405.465 2.037 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)Nc2nc(Br)ccc2O)cc([N+](=O)[O-])c1 ZINC000771574495 1079377583 /nfs/dbraw/zinc/37/75/83/1079377583.db2.gz LNQCBCLCUOUEQY-UHFFFAOYSA-N 0 0 416.209 2.114 20 5 HEBDRN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000766795476 1079379214 /nfs/dbraw/zinc/37/92/14/1079379214.db2.gz ZXIOQFHCNOCDLV-UHFFFAOYSA-N 0 0 404.759 2.019 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585941 1079382065 /nfs/dbraw/zinc/38/20/65/1079382065.db2.gz PPEPQPAGQPTOBW-NEPJUHHUSA-N 0 0 411.459 2.196 20 5 HEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000804335574 1079382319 /nfs/dbraw/zinc/38/23/19/1079382319.db2.gz BNJLAVWVUZTOTP-UHFFFAOYSA-N 0 0 422.463 2.303 20 5 HEBDRN Cc1cc(Cl)ncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000766801426 1079387801 /nfs/dbraw/zinc/38/78/01/1079387801.db2.gz CGHPYAGIOOADRP-UHFFFAOYSA-N 0 0 413.843 2.040 20 5 HEBDRN COCCNC(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC000804338946 1079397638 /nfs/dbraw/zinc/39/76/38/1079397638.db2.gz KAEONCCJXRPGRU-SFHVURJKSA-N 0 0 412.402 2.103 20 5 HEBDRN CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000771615858 1079398927 /nfs/dbraw/zinc/39/89/27/1079398927.db2.gz SUVQBCUWUJOTCH-UAGQMJEPSA-N 0 0 412.464 2.010 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000771621779 1079405437 /nfs/dbraw/zinc/40/54/37/1079405437.db2.gz KCWWYQNQFBIQLQ-CHWSQXEVSA-N 0 0 418.450 2.478 20 5 HEBDRN Cc1nn(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000771624768 1079409185 /nfs/dbraw/zinc/40/91/85/1079409185.db2.gz RBZSYJKLNARETN-UHFFFAOYSA-N 0 0 410.434 2.248 20 5 HEBDRN C[C@@](O)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000766817577 1079409357 /nfs/dbraw/zinc/40/93/57/1079409357.db2.gz JACKBZFKSRPHEN-QGZVFWFLSA-N 0 0 400.403 2.243 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCCc1ccccc1[N+](=O)[O-] ZINC000771629996 1079415720 /nfs/dbraw/zinc/41/57/20/1079415720.db2.gz GFTRKFXAGMAFAZ-UHFFFAOYSA-N 0 0 414.386 2.327 20 5 HEBDRN Cc1cccc(OS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1[N+](=O)[O-] ZINC000766839563 1079428680 /nfs/dbraw/zinc/42/86/80/1079428680.db2.gz TZUZYIMYSUBUBX-UHFFFAOYSA-N 0 0 400.796 2.188 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)c(Br)c1 ZINC000766841635 1079430624 /nfs/dbraw/zinc/43/06/24/1079430624.db2.gz VNSUBDVWSWCBPK-CYBMUJFWSA-N 0 0 421.269 2.321 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000766845141 1079434320 /nfs/dbraw/zinc/43/43/20/1079434320.db2.gz CRYIUELZJOKFDP-HNNXBMFYSA-N 0 0 413.496 2.360 20 5 HEBDRN C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000771666698 1079435612 /nfs/dbraw/zinc/43/56/12/1079435612.db2.gz FJBHXWOELJDPMU-BMLIUANNSA-N 0 0 407.423 2.163 20 5 HEBDRN Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766852247 1079438263 /nfs/dbraw/zinc/43/82/63/1079438263.db2.gz XIVCPDFWOVXXCM-HIFRSBDPSA-N 0 0 414.871 2.259 20 5 HEBDRN CC(C)CN1N=C(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCC1=O ZINC000766857435 1079443185 /nfs/dbraw/zinc/44/31/85/1079443185.db2.gz KAZQAZKBNYNBIG-UHFFFAOYSA-N 0 0 417.466 2.384 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000771682500 1079448161 /nfs/dbraw/zinc/44/81/61/1079448161.db2.gz AHKXVORNYGZUHF-JEOXALJRSA-N 0 0 406.366 2.172 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000766850361 1079450848 /nfs/dbraw/zinc/45/08/48/1079450848.db2.gz FRZSKRHAPACLBI-NVXWUHKLSA-N 0 0 408.480 2.222 20 5 HEBDRN COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879414 1079452279 /nfs/dbraw/zinc/45/22/79/1079452279.db2.gz IKQXTJVLMYWCJD-SWLSCSKDSA-N 0 0 403.273 2.203 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1F ZINC000771734281 1079470128 /nfs/dbraw/zinc/47/01/28/1079470128.db2.gz VUNGEAUJKDNSOH-UHFFFAOYSA-N 0 0 401.460 2.454 20 5 HEBDRN CN(C(=O)c1cccc(-n2cccn2)n1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737323148 1075899632 /nfs/dbraw/zinc/89/96/32/1075899632.db2.gz PAIUJUNDBWNLMC-UHFFFAOYSA-N 0 0 421.822 2.290 20 5 HEBDRN O=[N+]([O-])c1cccc(N2CCN(Cn3cc(I)cn3)CC2)c1 ZINC000738026967 1075953642 /nfs/dbraw/zinc/95/36/42/1075953642.db2.gz CRNIRTXBJXUOHY-UHFFFAOYSA-N 0 0 413.219 2.176 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)NC[C@H]1Cc2ccccc2O1 ZINC000766234066 1075974898 /nfs/dbraw/zinc/97/48/98/1075974898.db2.gz VUKRTBJBRUSBPG-CQSZACIVSA-N 0 0 407.382 2.420 20 5 HEBDRN CN1CCc2c(Nc3cc(=O)n(C)c(=O)n3-c3ccccc3)ccc([N+](=O)[O-])c2C1 ZINC001169962030 1079496118 /nfs/dbraw/zinc/49/61/18/1079496118.db2.gz UPUILHKOOHSYGP-UHFFFAOYSA-N 0 0 407.430 2.176 20 5 HEBDRN O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000738391087 1075993215 /nfs/dbraw/zinc/99/32/15/1075993215.db2.gz LXDUMYVBNUOXSN-UHFFFAOYSA-N 0 0 417.443 2.308 20 5 HEBDRN COC(=O)Nc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000738392218 1075993346 /nfs/dbraw/zinc/99/33/46/1075993346.db2.gz HAKUASVGVYQWAC-UHFFFAOYSA-N 0 0 409.420 2.303 20 5 HEBDRN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000738391319 1075993756 /nfs/dbraw/zinc/99/37/56/1075993756.db2.gz ONMVVLSSOPEUDE-UHFFFAOYSA-N 0 0 407.360 2.026 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccnc1N1CCC(CO)CC1 ZINC000738540296 1076000114 /nfs/dbraw/zinc/00/01/14/1076000114.db2.gz JCZSSKLMFNUYDK-UHFFFAOYSA-N 0 0 410.434 2.187 20 5 HEBDRN Cc1c(C(=O)OCCOc2cccc(S(C)(=O)=O)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738618962 1076009467 /nfs/dbraw/zinc/00/94/67/1076009467.db2.gz WOIAUEGAQGPEBX-UHFFFAOYSA-N 0 0 424.387 2.451 20 5 HEBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000738565279 1076012349 /nfs/dbraw/zinc/01/23/49/1076012349.db2.gz KSJCBHXEPRMOIJ-UHFFFAOYSA-N 0 0 407.448 2.275 20 5 HEBDRN CC[C@H](OC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)c1ccccc1 ZINC000738656948 1076014042 /nfs/dbraw/zinc/01/40/42/1076014042.db2.gz GQQZTLSRKJOOAV-INIZCTEOSA-N 0 0 406.416 2.369 20 5 HEBDRN CN(CC(=O)OCc1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738671853 1076015001 /nfs/dbraw/zinc/01/50/01/1076015001.db2.gz RKRJATDKGITLAP-UHFFFAOYSA-N 0 0 400.359 2.237 20 5 HEBDRN O=C(COC(=O)c1cc(N2CCNC2=O)ccc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000738693560 1076016244 /nfs/dbraw/zinc/01/62/44/1076016244.db2.gz YGEVOQCLZKVDJT-UHFFFAOYSA-N 0 0 420.328 2.198 20 5 HEBDRN C[C@@H](OC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000738698024 1076016822 /nfs/dbraw/zinc/01/68/22/1076016822.db2.gz BUSFHZOCFFIVBP-LLVKDONJSA-N 0 0 416.365 2.448 20 5 HEBDRN COc1ccccc1N1CC[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1=O ZINC000771780665 1079503388 /nfs/dbraw/zinc/50/33/88/1079503388.db2.gz MYFRUVAVJWQOCH-ZDUSSCGKSA-N 0 0 423.422 2.135 20 5 HEBDRN CN(CC(=O)Oc1c(F)c(F)cc(F)c1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739144758 1076050239 /nfs/dbraw/zinc/05/02/39/1076050239.db2.gz 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Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000739979521 1076090140 /nfs/dbraw/zinc/09/01/40/1076090140.db2.gz GIIVGARZTVKTLN-UHFFFAOYSA-N 0 0 401.876 2.379 20 5 HEBDRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000740232279 1076129915 /nfs/dbraw/zinc/12/99/15/1076129915.db2.gz OEOBSTKKEACCMX-JTQLQIEISA-N 0 0 424.435 2.367 20 5 HEBDRN O=C(COC(=O)CCc1nc(-c2ccoc2)no1)Nc1cc([N+](=O)[O-])ccc1F ZINC000740276377 1076136153 /nfs/dbraw/zinc/13/61/53/1076136153.db2.gz OYQBBFXMVVBILS-UHFFFAOYSA-N 0 0 404.310 2.491 20 5 HEBDRN Cc1cc(=O)oc2cc(OCCOc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])ccc12 ZINC000740766969 1076236024 /nfs/dbraw/zinc/23/60/24/1076236024.db2.gz YMQOZSXKJKRRRK-UHFFFAOYSA-N 0 0 420.399 2.115 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000740790963 1076239312 /nfs/dbraw/zinc/23/93/12/1076239312.db2.gz RRCPHVNIPLQOMA-LJQANCHMSA-N 0 0 408.414 2.072 20 5 HEBDRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000740801550 1076241973 /nfs/dbraw/zinc/24/19/73/1076241973.db2.gz FAUFDBRXFJBBMY-ONGXEEELSA-N 0 0 405.270 2.443 20 5 HEBDRN CC(C)c1nn(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1C ZINC000740861520 1076270894 /nfs/dbraw/zinc/27/08/94/1076270894.db2.gz OQHCZSIGIVGCFG-UHFFFAOYSA-N 0 0 404.496 2.398 20 5 HEBDRN O=C(NC[C@@H]1CC1(Cl)Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740907658 1076299206 /nfs/dbraw/zinc/29/92/06/1076299206.db2.gz NUBIZXZTLPVBJB-LBPRGKRZSA-N 0 0 401.250 2.256 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C[C@@H](C)O[C@H](C)C1 ZINC000741018479 1076337861 /nfs/dbraw/zinc/33/78/61/1076337861.db2.gz BIXWVBAQKRYMSC-SNUQEOBHSA-N 0 0 411.430 2.349 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000741022721 1076339926 /nfs/dbraw/zinc/33/99/26/1076339926.db2.gz WTQSIUOHMSZCCS-BIENJYKASA-N 0 0 423.466 2.219 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741023447 1076340174 /nfs/dbraw/zinc/34/01/74/1076340174.db2.gz ZYVBQJPGDRGZJQ-MDOVXXIYSA-N 0 0 419.478 2.161 20 5 HEBDRN C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N1[C@H](C)CC[C@H]1C ZINC000741023261 1076340392 /nfs/dbraw/zinc/34/03/92/1076340392.db2.gz UQMNWWZPAPRLAL-MGPQQGTHSA-N 0 0 421.450 2.499 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)OCC2CCN(CC(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000741116960 1076377781 /nfs/dbraw/zinc/37/77/81/1076377781.db2.gz HDLJJFCVEYPRII-UHFFFAOYSA-N 0 0 424.397 2.429 20 5 HEBDRN CS(=O)(=O)CCn1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000741203326 1076417285 /nfs/dbraw/zinc/41/72/85/1076417285.db2.gz WVLAQUWSWKXZBC-UHFFFAOYSA-N 0 0 421.460 2.212 20 5 HEBDRN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741260428 1076448353 /nfs/dbraw/zinc/44/83/53/1076448353.db2.gz UTBLLMWPSIZVAT-WMLDXEAASA-N 0 0 423.466 2.302 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741382287 1076507414 /nfs/dbraw/zinc/50/74/14/1076507414.db2.gz NWEYCRWOCHIJCO-GOSISDBHSA-N 0 0 413.430 2.286 20 5 HEBDRN O=C(COC(=O)[C@H]1CN(Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741385658 1076509737 /nfs/dbraw/zinc/50/97/37/1076509737.db2.gz SYAJHLJMXDXZPG-GOSISDBHSA-N 0 0 417.393 2.117 20 5 HEBDRN CCc1ccc(OC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c([N+](=O)[O-])c1 ZINC000741445406 1076531840 /nfs/dbraw/zinc/53/18/40/1076531840.db2.gz LGVSKZAUANEFKV-UHFFFAOYSA-N 0 0 407.423 2.142 20 5 HEBDRN COC(=O)C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000741582823 1076553239 /nfs/dbraw/zinc/55/32/39/1076553239.db2.gz SWCBECLDIJMXQM-AWEZNQCLSA-N 0 0 407.386 2.483 20 5 HEBDRN C[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000741583859 1076553524 /nfs/dbraw/zinc/55/35/24/1076553524.db2.gz BTSDUVYTXLGOQQ-MRVPVSSYSA-N 0 0 400.176 2.424 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000741605484 1076563443 /nfs/dbraw/zinc/56/34/43/1076563443.db2.gz ZXOKHYZGAPMUCE-OAHLLOKOSA-N 0 0 412.446 2.071 20 5 HEBDRN CCOc1cc(C(=O)Oc2ccc(O[C@H](C)C(N)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000741639803 1076567101 /nfs/dbraw/zinc/56/71/01/1076567101.db2.gz QRGBQJGRGUZYDO-LLVKDONJSA-N 0 0 404.375 2.474 20 5 HEBDRN C[S@@](=O)CCN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000741747680 1076607628 /nfs/dbraw/zinc/60/76/28/1076607628.db2.gz FIYKDWJBTBIDKG-MUUNZHRXSA-N 0 0 401.488 2.326 20 5 HEBDRN O=C(NCCCN1CCOCC1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000741750724 1076619114 /nfs/dbraw/zinc/61/91/14/1076619114.db2.gz YWUFDMCCMYCCCC-UHFFFAOYSA-N 0 0 410.902 2.303 20 5 HEBDRN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000741754545 1076620044 /nfs/dbraw/zinc/62/00/44/1076620044.db2.gz NAGUYTHVMIPQGI-UHFFFAOYSA-N 0 0 402.226 2.239 20 5 HEBDRN NC(=O)c1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741754953 1076620800 /nfs/dbraw/zinc/62/08/00/1076620800.db2.gz AEYZYJMBLWYZNH-UHFFFAOYSA-N 0 0 401.194 2.224 20 5 HEBDRN COc1ccc(OCCOC(=O)CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000741816454 1076637287 /nfs/dbraw/zinc/63/72/87/1076637287.db2.gz LZDPRLWWRKIFAI-UHFFFAOYSA-N 0 0 414.370 2.212 20 5 HEBDRN COc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000741802697 1076643105 /nfs/dbraw/zinc/64/31/05/1076643105.db2.gz PBTBNTZIOQUJFE-ZDUSSCGKSA-N 0 0 408.455 2.483 20 5 HEBDRN CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000741805681 1076644077 /nfs/dbraw/zinc/64/40/77/1076644077.db2.gz RPXDVHVXWUZJFO-UHFFFAOYSA-N 0 0 424.866 2.158 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000741826322 1076646671 /nfs/dbraw/zinc/64/66/71/1076646671.db2.gz CNHHTOBLYAXYRI-GFCCVEGCSA-N 0 0 404.448 2.458 20 5 HEBDRN CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000741855311 1076656047 /nfs/dbraw/zinc/65/60/47/1076656047.db2.gz KFIZBWRLEASNKH-UHFFFAOYSA-N 0 0 416.228 2.037 20 5 HEBDRN CN(CCCC(=O)OCc1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 ZINC000741911053 1076668759 /nfs/dbraw/zinc/66/87/59/1076668759.db2.gz FXEFQRIVDGRCBO-UHFFFAOYSA-N 0 0 417.443 2.499 20 5 HEBDRN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000741894649 1076671578 /nfs/dbraw/zinc/67/15/78/1076671578.db2.gz XNULILUXXXZHQS-UHFFFAOYSA-N 0 0 421.431 2.428 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742016132 1076708720 /nfs/dbraw/zinc/70/87/20/1076708720.db2.gz BLOFUBSSWLFWPK-MRXNPFEDSA-N 0 0 424.457 2.414 20 5 HEBDRN COc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000742031363 1076726463 /nfs/dbraw/zinc/72/64/63/1076726463.db2.gz QEFYBVVMWPVHFJ-JTQLQIEISA-N 0 0 409.376 2.488 20 5 HEBDRN COc1ccc(C(=O)N2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)cc1 ZINC000742145306 1076757719 /nfs/dbraw/zinc/75/77/19/1076757719.db2.gz QHCSVQWOPDUOFW-UHFFFAOYSA-N 0 0 422.445 2.277 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000742128830 1076759572 /nfs/dbraw/zinc/75/95/72/1076759572.db2.gz ZUIAIYJTSAUJHX-INIZCTEOSA-N 0 0 416.434 2.139 20 5 HEBDRN CN(Cc1ccc(S(C)(=O)=O)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742154012 1076768196 /nfs/dbraw/zinc/76/81/96/1076768196.db2.gz YFGODJPWKZAQGM-UHFFFAOYSA-N 0 0 401.448 2.346 20 5 HEBDRN O=C1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCN1Cc1cccc(F)c1 ZINC000742155216 1076769667 /nfs/dbraw/zinc/76/96/67/1076769667.db2.gz HSULSMCYZGUWIP-UHFFFAOYSA-N 0 0 410.409 2.294 20 5 HEBDRN O=C(Nc1cnc(Br)cn1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000742223223 1076801435 /nfs/dbraw/zinc/80/14/35/1076801435.db2.gz XSSJIWRJOJUQKG-QMMMGPOBSA-N 0 0 424.186 2.278 20 5 HEBDRN COc1ccc(NCc2csc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 ZINC000742256956 1076810412 /nfs/dbraw/zinc/81/04/12/1076810412.db2.gz OOVZDTZMNFYKJJ-UHFFFAOYSA-N 0 0 413.477 2.298 20 5 HEBDRN C[C@H](Cc1c(F)cccc1F)NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000742257325 1076810441 /nfs/dbraw/zinc/81/04/41/1076810441.db2.gz WKQGGJXSPDNSET-GFCCVEGCSA-N 0 0 408.405 2.437 20 5 HEBDRN COc1ccccc1-n1cc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])cn1 ZINC000742268695 1076811695 /nfs/dbraw/zinc/81/16/95/1076811695.db2.gz WENGQMYCGRNJMA-UHFFFAOYSA-N 0 0 403.372 2.369 20 5 HEBDRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000742269014 1076811701 /nfs/dbraw/zinc/81/17/01/1076811701.db2.gz OCKIAMGRFSCARR-UHFFFAOYSA-N 0 0 418.475 2.088 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1C ZINC000742295300 1076820714 /nfs/dbraw/zinc/82/07/14/1076820714.db2.gz ABSVLCNKAVUCRN-UHFFFAOYSA-N 0 0 409.372 2.244 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742321311 1076823398 /nfs/dbraw/zinc/82/33/98/1076823398.db2.gz PKXUCPNVGRBWOI-QWHCGFSZSA-N 0 0 414.484 2.352 20 5 HEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000742310929 1076826882 /nfs/dbraw/zinc/82/68/82/1076826882.db2.gz DKTABYOJMXMJNQ-GFCCVEGCSA-N 0 0 415.468 2.233 20 5 HEBDRN NC(=O)c1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000742407202 1076835194 /nfs/dbraw/zinc/83/51/94/1076835194.db2.gz CPFJMFJNOMPHFF-ZDUSSCGKSA-N 0 0 411.418 2.341 20 5 HEBDRN NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000742407201 1076835219 /nfs/dbraw/zinc/83/52/19/1076835219.db2.gz CPFJMFJNOMPHFF-CYBMUJFWSA-N 0 0 411.418 2.341 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000742413940 1076835962 /nfs/dbraw/zinc/83/59/62/1076835962.db2.gz OYNIKAWOXQTBAN-LLVKDONJSA-N 0 0 404.383 2.104 20 5 HEBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000742424291 1076837165 /nfs/dbraw/zinc/83/71/65/1076837165.db2.gz RVTZFYXXPMDGIM-CYBMUJFWSA-N 0 0 422.419 2.264 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NCC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000742427792 1076837688 /nfs/dbraw/zinc/83/76/88/1076837688.db2.gz PKQRBCHGGTUFSZ-FZKQIMNGSA-N 0 0 401.419 2.422 20 5 HEBDRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000742792250 1076879677 /nfs/dbraw/zinc/87/96/77/1076879677.db2.gz AAPIEIHUXRMLLQ-AJHXJQRKSA-N 0 0 415.450 2.433 20 5 HEBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000742794962 1076880783 /nfs/dbraw/zinc/88/07/83/1076880783.db2.gz YARDSEOZWYPVRO-UHFFFAOYSA-N 0 0 411.370 2.479 20 5 HEBDRN C[C@@H](OC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000743049382 1076938432 /nfs/dbraw/zinc/93/84/32/1076938432.db2.gz LQFQYLXRHGBCJF-CYBMUJFWSA-N 0 0 401.375 2.391 20 5 HEBDRN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000743124283 1076966401 /nfs/dbraw/zinc/96/64/01/1076966401.db2.gz VOSTUAYOLTZWKZ-CYBMUJFWSA-N 0 0 412.406 2.315 20 5 HEBDRN O=C(OCc1nnnn1Cc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000743126640 1076966864 /nfs/dbraw/zinc/96/68/64/1076966864.db2.gz AQBVTRJGYNFBRT-UHFFFAOYSA-N 0 0 405.374 2.172 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(CNC(C)=O)s1 ZINC000743154187 1076969392 /nfs/dbraw/zinc/96/93/92/1076969392.db2.gz XKIQCUWCILLAAA-UHFFFAOYSA-N 0 0 407.404 2.097 20 5 HEBDRN CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000743144781 1076976200 /nfs/dbraw/zinc/97/62/00/1076976200.db2.gz MSSFJWJVMNETBM-UHFFFAOYSA-N 0 0 403.416 2.039 20 5 HEBDRN Cc1cn(CN2CCC(c3nnc4n3CCC4)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743353807 1077030861 /nfs/dbraw/zinc/03/08/61/1077030861.db2.gz FROHDDHTQDUHCM-UHFFFAOYSA-N 0 0 423.477 2.230 20 5 HEBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000743354350 1077031099 /nfs/dbraw/zinc/03/10/99/1077031099.db2.gz QMMAGWJDSLWBET-UHFFFAOYSA-N 0 0 421.461 2.193 20 5 HEBDRN O=C1OCCN1c1cccc2c1CCN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000743380308 1077036769 /nfs/dbraw/zinc/03/67/69/1077036769.db2.gz ZASBASWSVWMTNZ-UHFFFAOYSA-N 0 0 410.386 2.475 20 5 HEBDRN O=C1C[C@]2(CCSC2)C(=O)N1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743391797 1077040373 /nfs/dbraw/zinc/04/03/73/1077040373.db2.gz ZOHMOLXNNSWPAF-IBGZPJMESA-N 0 0 405.476 2.278 20 5 HEBDRN CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000743421499 1077050536 /nfs/dbraw/zinc/05/05/36/1077050536.db2.gz JBTJPLFSORPHOE-UHFFFAOYSA-N 0 0 400.391 2.442 20 5 HEBDRN Nn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1[C@@H]1CCCCO1 ZINC000743458607 1077054124 /nfs/dbraw/zinc/05/41/24/1077054124.db2.gz XMFKHNZXCJXDLL-LBPRGKRZSA-N 0 0 403.424 2.484 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)O[C@H]1CCOc2cc(F)ccc21 ZINC000766301887 1077057215 /nfs/dbraw/zinc/05/72/15/1077057215.db2.gz QAKZOHNNBVTNGP-INIZCTEOSA-N 0 0 424.406 2.469 20 5 HEBDRN CC1N=NC(=S)N1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000743501501 1077058596 /nfs/dbraw/zinc/05/85/96/1077058596.db2.gz MPXYEQACOBOLPF-UHFFFAOYSA-N 0 0 405.358 2.155 20 5 HEBDRN CC1N=NC(=S)N1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000743501692 1077058647 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KFWXNSZXTRNHAO-ORAYPTAESA-N 0 0 410.434 2.360 20 5 HEBDRN Cc1cccc(F)c1CNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000743676180 1077087590 /nfs/dbraw/zinc/08/75/90/1077087590.db2.gz BNIUAKFRFCCEGU-UHFFFAOYSA-N 0 0 424.454 2.357 20 5 HEBDRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000743719042 1077096329 /nfs/dbraw/zinc/09/63/29/1077096329.db2.gz TWMFQUOXEPIHIX-QINSGFPZSA-N 0 0 403.460 2.234 20 5 HEBDRN CCOC(=O)COc1ccc(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 ZINC000743758512 1077101967 /nfs/dbraw/zinc/10/19/67/1077101967.db2.gz FZWOXFDLGPOWRE-UHFFFAOYSA-N 0 0 401.419 2.400 20 5 HEBDRN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000743837411 1077139424 /nfs/dbraw/zinc/13/94/24/1077139424.db2.gz JTDAUCMQAWLJAB-YMTOWFKASA-N 0 0 422.239 2.015 20 5 HEBDRN C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])cc2)CCO1 ZINC000743952204 1077260650 /nfs/dbraw/zinc/26/06/50/1077260650.db2.gz HIBHSKVJJNTYFZ-HNNXBMFYSA-N 0 0 412.446 2.117 20 5 HEBDRN CN(C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743988636 1077281250 /nfs/dbraw/zinc/28/12/50/1077281250.db2.gz QKHQYGZZBAFHLE-HNNXBMFYSA-N 0 0 406.439 2.391 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000744049250 1077307608 /nfs/dbraw/zinc/30/76/08/1077307608.db2.gz SWYHCODPBCDLLU-UHFFFAOYSA-N 0 0 400.347 2.383 20 5 HEBDRN Cc1ccc([C@H](C)C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])o1 ZINC000744030989 1077309179 /nfs/dbraw/zinc/30/91/79/1077309179.db2.gz HMNBFDHAILXYPB-ZDUSSCGKSA-N 0 0 424.431 2.226 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 ZINC000744110430 1077319192 /nfs/dbraw/zinc/31/91/92/1077319192.db2.gz LQEQTCCKZWQBPR-UHFFFAOYSA-N 0 0 418.431 2.387 20 5 HEBDRN COc1cc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc2c1O[C@H](C)C2 ZINC000744147268 1077330772 /nfs/dbraw/zinc/33/07/72/1077330772.db2.gz AHQDSTYBIGBROI-LLVKDONJSA-N 0 0 415.402 2.295 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2ccc3c(c2)CCCC(=O)N3)c([N+](=O)[O-])c1 ZINC000744149431 1077331522 /nfs/dbraw/zinc/33/15/22/1077331522.db2.gz XTWQXGULJKJGLX-UHFFFAOYSA-N 0 0 412.402 2.237 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000744149068 1077331550 /nfs/dbraw/zinc/33/15/50/1077331550.db2.gz VXMVBOBPYHFEBX-UHFFFAOYSA-N 0 0 413.365 2.287 20 5 HEBDRN CCOCCCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000744205913 1077339424 /nfs/dbraw/zinc/33/94/24/1077339424.db2.gz XRFRFOXOLRPARG-INIZCTEOSA-N 0 0 400.453 2.108 20 5 HEBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000744277804 1077361447 /nfs/dbraw/zinc/36/14/47/1077361447.db2.gz NJGSORPPRPUZPT-UHFFFAOYSA-N 0 0 419.459 2.457 20 5 HEBDRN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1=O ZINC000744313295 1077367159 /nfs/dbraw/zinc/36/71/59/1077367159.db2.gz ASAXRYZFIPHBLY-FQEVSTJZSA-N 0 0 407.386 2.048 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000744339427 1077369607 /nfs/dbraw/zinc/36/96/07/1077369607.db2.gz SKUTZOCTRALVOK-QWRGUYRKSA-N 0 0 410.370 2.490 20 5 HEBDRN CN(C)S(=O)(=O)c1cccc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000744367956 1077369814 /nfs/dbraw/zinc/36/98/14/1077369814.db2.gz HWOLFRYUOITJBI-UHFFFAOYSA-N 0 0 407.448 2.025 20 5 HEBDRN CC(C)(C)OC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2C1 ZINC000744397041 1077374303 /nfs/dbraw/zinc/37/43/03/1077374303.db2.gz XSRAPZWPUDVYDF-KRWDZBQOSA-N 0 0 417.466 2.410 20 5 HEBDRN O=C(CN1CCc2c(cccc2N2CCOC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000744414767 1077377987 /nfs/dbraw/zinc/37/79/87/1077377987.db2.gz PRALVDFDTDTASD-UHFFFAOYSA-N 0 0 422.441 2.499 20 5 HEBDRN CNc1ccc(C(=O)O[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)cc1[N+](=O)[O-] ZINC000744459862 1077401268 /nfs/dbraw/zinc/40/12/68/1077401268.db2.gz LTHNIVQNPMWMJS-CQSZACIVSA-N 0 0 419.415 2.447 20 5 HEBDRN 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CC(=O)c1ccc(O)c(CCOC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000744559957 1077469393 /nfs/dbraw/zinc/46/93/93/1077469393.db2.gz KHRFQLFLERADJA-UHFFFAOYSA-N 0 0 418.427 2.480 20 5 HEBDRN NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Br)cc1F ZINC000744612782 1077502789 /nfs/dbraw/zinc/50/27/89/1077502789.db2.gz QZRXJMHLVXLRPE-CYBMUJFWSA-N 0 0 412.171 2.462 20 5 HEBDRN O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1Cc2ccccc2O1 ZINC000744614089 1077503432 /nfs/dbraw/zinc/50/34/32/1077503432.db2.gz AMECATMERMENER-KRWDZBQOSA-N 0 0 409.398 2.213 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cnc2C)C1=O ZINC000744596403 1077507311 /nfs/dbraw/zinc/50/73/11/1077507311.db2.gz UKWUKHRAAKUVTQ-ZDUSSCGKSA-N 0 0 405.388 2.109 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cccnc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000744601712 1077511473 /nfs/dbraw/zinc/51/14/73/1077511473.db2.gz IAJQELVPCYNJLQ-UHFFFAOYSA-N 0 0 403.391 2.071 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 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O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768804867 1080782591 /nfs/dbraw/zinc/78/25/91/1080782591.db2.gz CRWHSESMNBRBTN-UHFFFAOYSA-N 0 0 401.510 2.460 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000768810801 1080787901 /nfs/dbraw/zinc/78/79/01/1080787901.db2.gz PGRHWAXSKNNYRN-OAHLLOKOSA-N 0 0 415.468 2.147 20 5 HEBDRN COc1cccc([C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000768796479 1080801678 /nfs/dbraw/zinc/80/16/78/1080801678.db2.gz JATSNNVTBSOXED-OAHLLOKOSA-N 0 0 408.461 2.466 20 5 HEBDRN CC(C)OC(=O)N1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000786761068 1080804054 /nfs/dbraw/zinc/80/40/54/1080804054.db2.gz KXMHVRHOECPMMC-UHFFFAOYSA-N 0 0 406.439 2.377 20 5 HEBDRN O=C1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1CCCc1ccccc1 ZINC000768853433 1080806135 /nfs/dbraw/zinc/80/61/35/1080806135.db2.gz MVUAIILBJBUCRV-HNNXBMFYSA-N 0 0 409.489 2.168 20 5 HEBDRN C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000746606376 1080810731 /nfs/dbraw/zinc/81/07/31/1080810731.db2.gz MFZIQGXCXWOHMU-SNVBAGLBSA-N 0 0 418.333 2.258 20 5 HEBDRN O=C(CC1CCCC1)N1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768837594 1080818280 /nfs/dbraw/zinc/81/82/80/1080818280.db2.gz NOIUIVFYUIQNEI-UHFFFAOYSA-N 0 0 401.510 2.460 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCCCc2nc3ncccn3n2)cc1OC ZINC000768838314 1080819387 /nfs/dbraw/zinc/81/93/87/1080819387.db2.gz WVEJAWPKOJMPCD-UHFFFAOYSA-N 0 0 401.379 2.229 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cs1 ZINC000768866837 1080824801 /nfs/dbraw/zinc/82/48/01/1080824801.db2.gz DACXOUFACDYRNV-UHFFFAOYSA-N 0 0 407.477 2.039 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000768881943 1080830637 /nfs/dbraw/zinc/83/06/37/1080830637.db2.gz OQYZNRQOAIMPPA-NSHDSACASA-N 0 0 420.852 2.093 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 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CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769230200 1081009967 /nfs/dbraw/zinc/00/99/67/1081009967.db2.gz KHQKMBTVWFBVRS-CQSZACIVSA-N 0 0 410.475 2.222 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000746638314 1081011644 /nfs/dbraw/zinc/01/16/44/1081011644.db2.gz VLZITKUDDPOBEW-UHFFFAOYSA-N 0 0 404.404 2.378 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@H](OCc2ccccn2)C1 ZINC000769297237 1081033636 /nfs/dbraw/zinc/03/36/36/1081033636.db2.gz MGBQJFGUJNHUST-SFHVURJKSA-N 0 0 412.446 2.258 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000746657568 1081042985 /nfs/dbraw/zinc/04/29/85/1081042985.db2.gz NJQJQJFVUOMWKN-JTQLQIEISA-N 0 0 410.370 2.387 20 5 HEBDRN CCOc1ccnc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)n1 ZINC000769341447 1081049288 /nfs/dbraw/zinc/04/92/88/1081049288.db2.gz UEGQQPMNWUDSPX-UHFFFAOYSA-N 0 0 414.466 2.202 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000769353031 1081051951 /nfs/dbraw/zinc/05/19/51/1081051951.db2.gz GBTUYEPXKPIIPG-BBRMVZONSA-N 0 0 405.363 2.369 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000787197354 1081058889 /nfs/dbraw/zinc/05/88/89/1081058889.db2.gz QAVKGRZWJSOFLM-HNNXBMFYSA-N 0 0 419.235 2.253 20 5 HEBDRN CC(C)OC(=O)N1CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000787229710 1081079670 /nfs/dbraw/zinc/07/96/70/1081079670.db2.gz UXIVXIKDJSBPIA-UHFFFAOYSA-N 0 0 408.459 2.147 20 5 HEBDRN CCOC(=O)N1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000769470382 1081090635 /nfs/dbraw/zinc/09/06/35/1081090635.db2.gz CUHIPTCHZULYDA-UHFFFAOYSA-N 0 0 402.407 2.259 20 5 HEBDRN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000769491943 1081094191 /nfs/dbraw/zinc/09/41/91/1081094191.db2.gz GMVXSDUEISXAIM-QGZVFWFLSA-N 0 0 415.358 2.390 20 5 HEBDRN Cc1csc(CCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000769498621 1081097777 /nfs/dbraw/zinc/09/77/77/1081097777.db2.gz QFXJHGBFOFMASB-UHFFFAOYSA-N 0 0 418.475 2.184 20 5 HEBDRN COC(=O)c1ccc(OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl ZINC000769503931 1081098939 /nfs/dbraw/zinc/09/89/39/1081098939.db2.gz CJSSDWUDFLTBLX-UHFFFAOYSA-N 0 0 418.745 2.236 20 5 HEBDRN CC(C)(C)[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746667454 1081101192 /nfs/dbraw/zinc/10/11/92/1081101192.db2.gz BXALIUOVTYIHIX-XMMPIXPASA-N 0 0 402.416 2.439 20 5 HEBDRN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000769599065 1081116636 /nfs/dbraw/zinc/11/66/36/1081116636.db2.gz AARIVVZNSINEBV-GFCCVEGCSA-N 0 0 416.386 2.252 20 5 HEBDRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000769578688 1081133464 /nfs/dbraw/zinc/13/34/64/1081133464.db2.gz BZNXKYDQIACKAI-ZDUSSCGKSA-N 0 0 410.477 2.002 20 5 HEBDRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000769594232 1081141450 /nfs/dbraw/zinc/14/14/50/1081141450.db2.gz MFFJURZDOSTDDY-ZDUSSCGKSA-N 0 0 410.477 2.002 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000769626906 1081143889 /nfs/dbraw/zinc/14/38/89/1081143889.db2.gz YJCXDYFUZCUULB-SFHVURJKSA-N 0 0 407.402 2.436 20 5 HEBDRN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[S@]1=O ZINC000769629127 1081146256 /nfs/dbraw/zinc/14/62/56/1081146256.db2.gz FGCYVDLGOKOFMI-AREMUKBSSA-N 0 0 400.522 2.443 20 5 HEBDRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000769632268 1081149545 /nfs/dbraw/zinc/14/95/45/1081149545.db2.gz COKAAACTTWHUQS-UHFFFAOYSA-N 0 0 422.387 2.402 20 5 HEBDRN Cc1c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000769641728 1081161425 /nfs/dbraw/zinc/16/14/25/1081161425.db2.gz SLGOOPVJBOXBLW-LLVKDONJSA-N 0 0 404.427 2.127 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1[N+](=O)[O-] ZINC000769603516 1081165893 /nfs/dbraw/zinc/16/58/93/1081165893.db2.gz MTUUYYFUBLKYSE-JTQLQIEISA-N 0 0 400.343 2.363 20 5 HEBDRN COc1cccc(C(=O)OCCN(Cc2ccccc2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000769607441 1081168383 /nfs/dbraw/zinc/16/83/83/1081168383.db2.gz XFHBAMHDNJSEDT-UHFFFAOYSA-N 0 0 408.432 2.222 20 5 HEBDRN O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769622144 1081178570 /nfs/dbraw/zinc/17/85/70/1081178570.db2.gz LQSYJXJXDZSYRJ-AATRIKPKSA-N 0 0 405.374 2.159 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164650245 719317811 /nfs/dbraw/zinc/31/78/11/719317811.db2.gz CTVXYOHMUAPHCB-UHFFFAOYSA-N 0 0 402.455 2.178 20 5 HEBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)cnc1Cl ZINC001164760993 721259191 /nfs/dbraw/zinc/25/91/91/721259191.db2.gz GVEMXRZPQXXTTC-STQMWFEESA-N 0 0 412.784 2.072 20 5 HEBDRN Cc1nc(CN2CCOC[C@]3(CN(c4nccc(C)c4[N+](=O)[O-])CCO3)C2)cs1 ZINC001164922970 721824981 /nfs/dbraw/zinc/82/49/81/721824981.db2.gz HZVRFBMQFHOWBF-LJQANCHMSA-N 0 0 419.507 2.171 20 5 HEBDRN Cn1ccc(CN2CCOCC23CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC3)n1 ZINC001164934117 721904343 /nfs/dbraw/zinc/90/43/43/721904343.db2.gz WCESFLGUFSIEOX-UHFFFAOYSA-N 0 0 406.874 2.248 20 5 HEBDRN CCOc1nc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164943078 721952056 /nfs/dbraw/zinc/95/20/56/721952056.db2.gz GJCHRGQWKSLYSQ-DLBZAZTESA-N 0 0 403.439 2.083 20 5 HEBDRN CCOC(=O)c1ccnc(N2CCN(CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523113291 721961302 /nfs/dbraw/zinc/96/13/02/721961302.db2.gz JEEZYKFLXROGOW-UHFFFAOYSA-N 0 0 400.435 2.368 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(N)c([N+](=O)[O-])cn4)CC[C@@H]32)cs1 ZINC001164988046 722183435 /nfs/dbraw/zinc/18/34/35/722183435.db2.gz JJRYMTAQFCEXQA-RDJZCZTQSA-N 0 0 404.496 2.207 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4N)CC[C@@H]32)cs1 ZINC001164990093 722184890 /nfs/dbraw/zinc/18/48/90/722184890.db2.gz PZUSDXQHEUVIOW-IRXDYDNUSA-N 0 0 404.496 2.207 20 5 HEBDRN CN1CCN(c2ncnc3c2CCN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)CC1 ZINC001164997841 722232825 /nfs/dbraw/zinc/23/28/25/722232825.db2.gz XIENSYMQSUFQNA-UHFFFAOYSA-N 0 0 419.489 2.290 20 5 HEBDRN COc1cnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c([N+](=O)[O-])c1 ZINC001165005421 722263916 /nfs/dbraw/zinc/26/39/16/722263916.db2.gz CEZKHZFIRCBUIH-FQEVSTJZSA-N 0 0 415.425 2.065 20 5 HEBDRN COc1cc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc(NC(C)=O)c1OC ZINC000745438465 1078480538 /nfs/dbraw/zinc/48/05/38/1078480538.db2.gz COYQLFSLKPFHHJ-UHFFFAOYSA-N 0 0 417.374 2.026 20 5 HEBDRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000769665819 1078505655 /nfs/dbraw/zinc/50/56/55/1078505655.db2.gz BCWVLLDQJHSIHX-UHFFFAOYSA-N 0 0 422.387 2.402 20 5 HEBDRN Cc1nccn1CCCCOC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769665601 1078505708 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CNC(=O)c1cc(Br)ccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000771460844 1079335332 /nfs/dbraw/zinc/33/53/32/1079335332.db2.gz DJGGSBITUXDDIO-UHFFFAOYSA-N 0 0 410.228 2.251 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(N[C@@H]2CCc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-] ZINC001169625742 1079348615 /nfs/dbraw/zinc/34/86/15/1079348615.db2.gz DEUHKIPTOBQYEX-APWZRJJASA-N 0 0 414.414 2.485 20 5 HEBDRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCc2ccccc2[N+](=O)[O-])C1=O ZINC000771439781 1079344889 /nfs/dbraw/zinc/34/48/89/1079344889.db2.gz SANWLPNPVPXCOU-FQEVSTJZSA-N 0 0 413.386 2.114 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccccc2[N+](=O)[O-])C1=O ZINC000771439786 1079344933 /nfs/dbraw/zinc/34/49/33/1079344933.db2.gz SANWLPNPVPXCOU-HXUWFJFHSA-N 0 0 413.386 2.114 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000766773915 1079356198 /nfs/dbraw/zinc/35/61/98/1079356198.db2.gz CZYRYXFLYBTTKM-OAHLLOKOSA-N 0 0 413.496 2.456 20 5 HEBDRN 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CCO[C@H]1C[C@@H](OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000771629922 1079415903 /nfs/dbraw/zinc/41/59/03/1079415903.db2.gz DXWDHGJCGKZVEO-JKSUJKDBSA-N 0 0 412.464 2.154 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000766845144 1079434396 /nfs/dbraw/zinc/43/43/96/1079434396.db2.gz CRYIUELZJOKFDP-OAHLLOKOSA-N 0 0 413.496 2.360 20 5 HEBDRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](O)c1ccc(F)cc1 ZINC000771671684 1079438743 /nfs/dbraw/zinc/43/87/43/1079438743.db2.gz HZLORAASGQLITD-FABXCBLPSA-N 0 0 405.382 2.170 20 5 HEBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766847544 1079445196 /nfs/dbraw/zinc/44/51/96/1079445196.db2.gz HIBLSBAJBSAILG-UHFFFAOYSA-N 0 0 412.358 2.129 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000771733694 1079470692 /nfs/dbraw/zinc/47/06/92/1079470692.db2.gz DNTFYUMSEKFVLH-NSPYISDASA-N 0 0 406.366 2.172 20 5 HEBDRN 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O=C1C(=O)N(CN2CCCc3ccc([N+](=O)[O-])cc32)C(=O)N1CCc1cccs1 ZINC000738044704 1075956988 /nfs/dbraw/zinc/95/69/88/1075956988.db2.gz PRRJMUHJNFTAAO-UHFFFAOYSA-N 0 0 414.443 2.400 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738108031 1075964362 /nfs/dbraw/zinc/96/43/62/1075964362.db2.gz AHYZQNGBZDTPNX-GFCCVEGCSA-N 0 0 404.423 2.090 20 5 HEBDRN O=C(NCCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000738329203 1075982541 /nfs/dbraw/zinc/98/25/41/1075982541.db2.gz MISHZFBCVRFDAS-UHFFFAOYSA-N 0 0 404.417 2.421 20 5 HEBDRN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1 ZINC000738342752 1075984876 /nfs/dbraw/zinc/98/48/76/1075984876.db2.gz GLAVBGIZOUVAMT-UHFFFAOYSA-N 0 0 415.449 2.299 20 5 HEBDRN CN(CC1CC1)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000738372295 1075992018 /nfs/dbraw/zinc/99/20/18/1075992018.db2.gz HAWAFYGOCJGCBM-UHFFFAOYSA-N 0 0 422.429 2.322 20 5 HEBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1cccc(-n3ccnc3)c1)OCCO2 ZINC000738392056 1075993190 /nfs/dbraw/zinc/99/31/90/1075993190.db2.gz WMXIKTCXGIBAII-UHFFFAOYSA-N 0 0 403.372 2.319 20 5 HEBDRN O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738628721 1076010466 /nfs/dbraw/zinc/01/04/66/1076010466.db2.gz QNNAKCSXKMTGKL-UHFFFAOYSA-N 0 0 402.754 2.019 20 5 HEBDRN CCCC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000738568643 1076012908 /nfs/dbraw/zinc/01/29/08/1076012908.db2.gz ZJOPQJWKFRMPEI-UHFFFAOYSA-N 0 0 412.464 2.216 20 5 HEBDRN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000738673813 1076015260 /nfs/dbraw/zinc/01/52/60/1076015260.db2.gz LELFAWOICAVWOZ-LBPRGKRZSA-N 0 0 424.406 2.169 20 5 HEBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000739222560 1076053792 /nfs/dbraw/zinc/05/37/92/1076053792.db2.gz JRMUWAGOQVLXGW-HNNXBMFYSA-N 0 0 411.414 2.311 20 5 HEBDRN CCN1C[C@H](COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1=O ZINC000739244239 1076055592 /nfs/dbraw/zinc/05/55/92/1076055592.db2.gz NGPWTZHDLGSDGP-MRXNPFEDSA-N 0 0 400.435 2.482 20 5 HEBDRN Cc1ccc(NCCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)c([N+](=O)[O-])c1 ZINC000739815174 1076077641 /nfs/dbraw/zinc/07/76/41/1076077641.db2.gz RXVXIVBIBHLDLL-HNNXBMFYSA-N 0 0 424.461 2.160 20 5 HEBDRN COc1cc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000740151359 1076108754 /nfs/dbraw/zinc/10/87/54/1076108754.db2.gz CBFGQWIDLPIKOP-CQSZACIVSA-N 0 0 408.794 2.491 20 5 HEBDRN O=C(CCc1nc(-c2ccoc2)no1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000740280821 1076136131 /nfs/dbraw/zinc/13/61/31/1076136131.db2.gz VDDFYWBNUITWTD-UHFFFAOYSA-N 0 0 412.358 2.303 20 5 HEBDRN CCOC(=O)N[C@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC000766248562 1076156385 /nfs/dbraw/zinc/15/63/85/1076156385.db2.gz LIWCZDRRCBZOPR-AWEZNQCLSA-N 0 0 408.455 2.427 20 5 HEBDRN CC(C)(C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000740394318 1076161570 /nfs/dbraw/zinc/16/15/70/1076161570.db2.gz 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CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cn(C)nn2)NC(=O)N1CC1CC1 ZINC000741654745 1076578070 /nfs/dbraw/zinc/57/80/70/1076578070.db2.gz OATXOHCRQZGYTB-QGZVFWFLSA-N 0 0 411.422 2.112 20 5 HEBDRN CN(C)C(=O)Nc1cccc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000741712086 1076602283 /nfs/dbraw/zinc/60/22/83/1076602283.db2.gz IJMYURGEASVZPX-UHFFFAOYSA-N 0 0 400.391 2.196 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCN(CC(=O)N3CCCCC3)CC2)cc1Cl ZINC000741746348 1076606211 /nfs/dbraw/zinc/60/62/11/1076606211.db2.gz FLAXWXKHHULZQH-UHFFFAOYSA-N 0 0 424.885 2.169 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1ccccc1NC(C)=O ZINC000741731363 1076610513 /nfs/dbraw/zinc/61/05/13/1076610513.db2.gz NVVZDRFLYWMKKF-UHFFFAOYSA-N 0 0 401.375 2.070 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C2=O ZINC000741732591 1076612968 /nfs/dbraw/zinc/61/29/68/1076612968.db2.gz KIYBFLXXYWPZPI-UHFFFAOYSA-N 0 0 404.423 2.416 20 5 HEBDRN 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CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000767440854 1079848758 /nfs/dbraw/zinc/84/87/58/1079848758.db2.gz NNCJWGIXBBGJFC-HNNXBMFYSA-N 0 0 422.482 2.173 20 5 HEBDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000772378933 1079854470 /nfs/dbraw/zinc/85/44/70/1079854470.db2.gz RDTSGJYPPDMLIY-OXJNMPFZSA-N 0 0 405.451 2.283 20 5 HEBDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767429809 1079858944 /nfs/dbraw/zinc/85/89/44/1079858944.db2.gz AQGFGJGNHPQDLR-QGZVFWFLSA-N 0 0 422.482 2.173 20 5 HEBDRN C[C@@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000772392831 1079859579 /nfs/dbraw/zinc/85/95/79/1079859579.db2.gz VFDLQCFPFFMINF-GFCCVEGCSA-N 0 0 418.381 2.209 20 5 HEBDRN Cc1nn(Cc2ccc(C(=O)OCCN3C[C@H]4CC[C@@H](C3)O4)cc2)c(C)c1[N+](=O)[O-] ZINC000767458164 1079883140 /nfs/dbraw/zinc/88/31/40/1079883140.db2.gz AMBBGRQJHVWMEH-KDURUIRLSA-N 0 0 414.462 2.476 20 5 HEBDRN 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O=C(CCCNC(=O)c1cccnc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000772648319 1080010737 /nfs/dbraw/zinc/01/07/37/1080010737.db2.gz XKQGBXMOTYBUKR-HOTGVXAUSA-N 0 0 401.423 2.423 20 5 HEBDRN COc1cc(C(=O)OCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])nn1C ZINC000772648861 1080011561 /nfs/dbraw/zinc/01/15/61/1080011561.db2.gz FZLWLXXJPCKIRA-UHFFFAOYSA-N 0 0 401.322 2.346 20 5 HEBDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000767622532 1080014743 /nfs/dbraw/zinc/01/47/43/1080014743.db2.gz GEYIBONYPXEUOW-QGZVFWFLSA-N 0 0 422.482 2.173 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2cc(N(C)C)ccc2[N+](=O)[O-])c(OC)c1 ZINC000785502172 1080022970 /nfs/dbraw/zinc/02/29/70/1080022970.db2.gz YWZFDMKULWPVRT-UHFFFAOYSA-N 0 0 410.404 2.224 20 5 HEBDRN Cc1ccc(S(N)(=O)=O)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000767709781 1080044910 /nfs/dbraw/zinc/04/49/10/1080044910.db2.gz STHKJCJTGDIRON-LBPRGKRZSA-N 0 0 421.431 2.043 20 5 HEBDRN CCOc1cc(C(=O)NCc2cnc(N3CCOCC3)s2)c([N+](=O)[O-])cc1OC ZINC000785536928 1080045787 /nfs/dbraw/zinc/04/57/87/1080045787.db2.gz LVFSQZKTKDNVSO-UHFFFAOYSA-N 0 0 422.463 2.225 20 5 HEBDRN NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)N2 ZINC000767715756 1080049303 /nfs/dbraw/zinc/04/93/03/1080049303.db2.gz YEJXYVCCFJIEJH-LFYBBSHMSA-N 0 0 424.232 2.497 20 5 HEBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785587339 1080062244 /nfs/dbraw/zinc/06/22/44/1080062244.db2.gz MUKWEIMLAXOLIQ-UHFFFAOYSA-N 0 0 411.378 2.363 20 5 HEBDRN CN(Cc1ncnn1CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000785593141 1080066277 /nfs/dbraw/zinc/06/62/77/1080066277.db2.gz UZJCTWRFMRCPPV-UHFFFAOYSA-N 0 0 404.171 2.486 20 5 HEBDRN Cc1cccc([C@@H](O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000767810432 1080113721 /nfs/dbraw/zinc/11/37/21/1080113721.db2.gz IGTWONIFJUADKU-IBGZPJMESA-N 0 0 421.475 2.070 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCOC2(CCOCC2)C1 ZINC000767824493 1080133704 /nfs/dbraw/zinc/13/37/04/1080133704.db2.gz PPUGNGCCQBMLEO-UHFFFAOYSA-N 0 0 410.370 2.274 20 5 HEBDRN C[C@@H](OC(=O)CS(=O)(=O)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000767827988 1080140173 /nfs/dbraw/zinc/14/01/73/1080140173.db2.gz OUCFQWKIMCOBMR-SECBINFHSA-N 0 0 406.844 2.332 20 5 HEBDRN O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000785676139 1080155448 /nfs/dbraw/zinc/15/54/48/1080155448.db2.gz QCIZAWVZANDUDX-WMZOPIPTSA-N 0 0 414.418 2.107 20 5 HEBDRN COc1cccc(C[C@@H](O)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000785705325 1080214039 /nfs/dbraw/zinc/21/40/39/1080214039.db2.gz GIXSMTGUQCZLOF-MRXNPFEDSA-N 0 0 408.794 2.342 20 5 HEBDRN COc1cccc(C[C@H](O)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000785705675 1080214739 /nfs/dbraw/zinc/21/47/39/1080214739.db2.gz HHPXFVUZPKPLSY-SJCJKPOMSA-N 0 0 418.402 2.086 20 5 HEBDRN COc1ccc(COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000785718522 1080228104 /nfs/dbraw/zinc/22/81/04/1080228104.db2.gz QKNKSCPLSXGOTJ-HOTGVXAUSA-N 0 0 404.419 2.088 20 5 HEBDRN COc1cccc(C(=O)NCCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1 ZINC000785782655 1080244546 /nfs/dbraw/zinc/24/45/46/1080244546.db2.gz ZSCLUEQKDSJRPM-UHFFFAOYSA-N 0 0 404.379 2.154 20 5 HEBDRN CON(C)C(=O)c1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785795452 1080247830 /nfs/dbraw/zinc/24/78/30/1080247830.db2.gz VYACYMFVPPELID-UHFFFAOYSA-N 0 0 402.411 2.294 20 5 HEBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3nnnn3-c3ccc(OC(F)F)cc3)CC2)n1 ZINC000785857817 1080284843 /nfs/dbraw/zinc/28/48/43/1080284843.db2.gz QANLOSGTWWSGGT-UHFFFAOYSA-N 0 0 420.380 2.206 20 5 HEBDRN O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000768096012 1080324674 /nfs/dbraw/zinc/32/46/74/1080324674.db2.gz AKTKIBICWMDYJO-FQEVSTJZSA-N 0 0 423.425 2.492 20 5 HEBDRN C[C@H](Cc1ccccc1)NC(=S)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786088863 1080389216 /nfs/dbraw/zinc/38/92/16/1080389216.db2.gz KQSISXJLQBYMDO-CQSZACIVSA-N 0 0 407.517 2.464 20 5 HEBDRN NC(=O)c1ccc(OCCC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000786127085 1080446181 /nfs/dbraw/zinc/44/61/81/1080446181.db2.gz WHOADFYBNDWMMU-UHFFFAOYSA-N 0 0 412.358 2.256 20 5 HEBDRN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000768270202 1080453079 /nfs/dbraw/zinc/45/30/79/1080453079.db2.gz QRNIVMXBNNOGAN-UHFFFAOYSA-N 0 0 410.362 2.266 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1F ZINC000768270371 1080453219 /nfs/dbraw/zinc/45/32/19/1080453219.db2.gz VCONNWWOJDLOEX-UHFFFAOYSA-N 0 0 402.425 2.271 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)c2cccc(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1F ZINC000768283783 1080457746 /nfs/dbraw/zinc/45/77/46/1080457746.db2.gz UORXFTDYEIHMHN-UHFFFAOYSA-N 0 0 402.425 2.271 20 5 HEBDRN NC(=O)c1cccnc1N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768291810 1080462649 /nfs/dbraw/zinc/46/26/49/1080462649.db2.gz RYKGUVVFLZXTQP-UHFFFAOYSA-N 0 0 420.267 2.173 20 5 HEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000786214306 1080475672 /nfs/dbraw/zinc/47/56/72/1080475672.db2.gz GESOAZZSMPLVCT-LBPRGKRZSA-N 0 0 423.310 2.225 20 5 HEBDRN COC(=O)c1ccc(OCC(=O)CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000768279333 1080482579 /nfs/dbraw/zinc/48/25/79/1080482579.db2.gz NHZZQBKGFPTXRP-UHFFFAOYSA-N 0 0 412.354 2.016 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000786235624 1080512353 /nfs/dbraw/zinc/51/23/53/1080512353.db2.gz KNJXAGKMRFMQNS-UHFFFAOYSA-N 0 0 419.463 2.128 20 5 HEBDRN COc1ccc(C(=O)NCC(=O)OCc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000768363372 1080513074 /nfs/dbraw/zinc/51/30/74/1080513074.db2.gz QQUMSYXSDSLUMU-UHFFFAOYSA-N 0 0 413.308 2.490 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCC(=O)c1ccccc1 ZINC000786284472 1080529748 /nfs/dbraw/zinc/52/97/48/1080529748.db2.gz DPQNBMQGFZVMFS-NSHDSACASA-N 0 0 401.331 2.047 20 5 HEBDRN C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC(=O)c1ccccc1 ZINC000786291327 1080536739 /nfs/dbraw/zinc/53/67/39/1080536739.db2.gz XAKIWJROQFHBNL-CQSZACIVSA-N 0 0 422.397 2.325 20 5 HEBDRN C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC(=O)c1ccccc1 ZINC000786305025 1080546131 /nfs/dbraw/zinc/54/61/31/1080546131.db2.gz DZIFQWMOYHIPDQ-AWEZNQCLSA-N 0 0 422.397 2.325 20 5 HEBDRN Cc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2N)n[nH]1 ZINC000768436488 1080557921 /nfs/dbraw/zinc/55/79/21/1080557921.db2.gz IDMYPXFQOBQERR-JTQLQIEISA-N 0 0 402.440 2.026 20 5 HEBDRN COc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000768462494 1080583819 /nfs/dbraw/zinc/58/38/19/1080583819.db2.gz DORAFZSNVDCUQL-KRWDZBQOSA-N 0 0 404.379 2.187 20 5 HEBDRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000768472002 1080589101 /nfs/dbraw/zinc/58/91/01/1080589101.db2.gz CYLPSKIFJRNNAA-FQEVSTJZSA-N 0 0 412.402 2.318 20 5 HEBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000804367739 1080589837 /nfs/dbraw/zinc/58/98/37/1080589837.db2.gz CLYYLGKGKNRTNW-OAHLLOKOSA-N 0 0 407.320 2.368 20 5 HEBDRN NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(F)c1 ZINC000768502636 1080595842 /nfs/dbraw/zinc/59/58/42/1080595842.db2.gz DUOMSGWRIYJSNU-UHFFFAOYSA-N 0 0 418.200 2.396 20 5 HEBDRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000768522272 1080608251 /nfs/dbraw/zinc/60/82/51/1080608251.db2.gz OLSYGDYECQYZNX-CYBMUJFWSA-N 0 0 410.475 2.126 20 5 HEBDRN Cn1cc(COC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c(Cl)n1 ZINC001129393400 1080611166 /nfs/dbraw/zinc/61/11/66/1080611166.db2.gz PYCJEFWFIKXZDC-UHFFFAOYSA-N 0 0 400.725 2.164 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(OC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000768541133 1080618614 /nfs/dbraw/zinc/61/86/14/1080618614.db2.gz BLGYHYWEHROHQZ-NSHDSACASA-N 0 0 423.397 2.249 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)cc1SC ZINC000786483654 1080626448 /nfs/dbraw/zinc/62/64/48/1080626448.db2.gz ZKNSWPRPDCXLHY-NSHDSACASA-N 0 0 418.493 2.154 20 5 HEBDRN CS(=O)(=O)N1CCC[C@H](COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000786484675 1080627048 /nfs/dbraw/zinc/62/70/48/1080627048.db2.gz IQGKZXICRIIHFP-JTQLQIEISA-N 0 0 421.269 2.186 20 5 HEBDRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000786489385 1080630717 /nfs/dbraw/zinc/63/07/17/1080630717.db2.gz IXSYRCFVOBVFOI-UHFFFAOYSA-N 0 0 424.479 2.001 20 5 HEBDRN NS(=O)(=O)c1cccc2c1ccnc2C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000768623079 1080659575 /nfs/dbraw/zinc/65/95/75/1080659575.db2.gz PPIYBEKPDXOADS-UHFFFAOYSA-N 0 0 417.399 2.026 20 5 HEBDRN Cc1[nH]nc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br ZINC000768625211 1080661503 /nfs/dbraw/zinc/66/15/03/1080661503.db2.gz WBPRVERENWWALK-UHFFFAOYSA-N 0 0 401.148 2.323 20 5 HEBDRN NC(=O)c1ccc(SCC(=O)N2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000768587342 1080667867 /nfs/dbraw/zinc/66/78/67/1080667867.db2.gz QSUAQNDUTSJGHT-UHFFFAOYSA-N 0 0 415.471 2.296 20 5 HEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000786544725 1080677041 /nfs/dbraw/zinc/67/70/41/1080677041.db2.gz PHCFAWMWYMYNGP-LBPRGKRZSA-N 0 0 415.240 2.318 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(O)(CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000786549962 1080679955 /nfs/dbraw/zinc/67/99/55/1080679955.db2.gz GMNJOVKNVGSAPU-UHFFFAOYSA-N 0 0 403.233 2.146 20 5 HEBDRN Cn1c2cc([N+](=O)[O-])c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2n(C)c1=O ZINC000786558947 1080686606 /nfs/dbraw/zinc/68/66/06/1080686606.db2.gz CAXPIZNPDQUJAO-UHFFFAOYSA-N 0 0 412.406 2.020 20 5 HEBDRN NC(=O)c1ccc(COC(=O)c2n[nH]c(C3CC3)c2Br)c([N+](=O)[O-])c1 ZINC000768634240 1080690712 /nfs/dbraw/zinc/69/07/12/1080690712.db2.gz IGULMRGUCHOVDT-UHFFFAOYSA-N 0 0 409.196 2.414 20 5 HEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000786573548 1080699439 /nfs/dbraw/zinc/69/94/39/1080699439.db2.gz BDVRUXGPSDCZMG-HZPDHXFCSA-N 0 0 402.495 2.424 20 5 HEBDRN CCNc1nc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cs1 ZINC000768660285 1080703932 /nfs/dbraw/zinc/70/39/32/1080703932.db2.gz RPSRFWJUCMYZIV-UHFFFAOYSA-N 0 0 422.419 2.440 20 5 HEBDRN O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000786604644 1080705171 /nfs/dbraw/zinc/70/51/71/1080705171.db2.gz YIJWAMRWBJBJID-UHFFFAOYSA-N 0 0 418.837 2.329 20 5 HEBDRN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768711738 1080729200 /nfs/dbraw/zinc/72/92/00/1080729200.db2.gz FKUOKIBOFGPZQE-CYBMUJFWSA-N 0 0 408.886 2.453 20 5 HEBDRN Cc1c(C(=O)OCc2ccc(C(F)(F)F)cn2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000768714422 1080729892 /nfs/dbraw/zinc/72/98/92/1080729892.db2.gz FAMNSNZTZCGEDR-UHFFFAOYSA-N 0 0 419.337 2.321 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000786664299 1080748772 /nfs/dbraw/zinc/74/87/72/1080748772.db2.gz YNIDFRLHFXQHLT-HNNXBMFYSA-N 0 0 404.810 2.169 20 5 HEBDRN O=C(OC[C@H]1CNC(c2ccccc2)=NO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000768801371 1080778373 /nfs/dbraw/zinc/77/83/73/1080778373.db2.gz DCMUNECQGJSHKB-MRXNPFEDSA-N 0 0 407.386 2.288 20 5 HEBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1coc(C2CCOCC2)n1 ZINC000786729338 1080778474 /nfs/dbraw/zinc/77/84/74/1080778474.db2.gz AVHCEZVFCZZJLL-INIZCTEOSA-N 0 0 401.375 2.439 20 5 HEBDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768803601 1080779745 /nfs/dbraw/zinc/77/97/45/1080779745.db2.gz LTAKBAOCHWSMEF-SNVBAGLBSA-N 0 0 404.491 2.442 20 5 HEBDRN CCS(=O)(=O)NCc1ccc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000768777759 1080793335 /nfs/dbraw/zinc/79/33/35/1080793335.db2.gz JOOQEXCIUMTBFI-UHFFFAOYSA-N 0 0 421.475 2.327 20 5 HEBDRN COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768791710 1080800618 /nfs/dbraw/zinc/80/06/18/1080800618.db2.gz CWSLFSUBZBDTCO-UHFFFAOYSA-N 0 0 415.468 2.311 20 5 HEBDRN O=C1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1 ZINC000768854188 1080806080 /nfs/dbraw/zinc/80/60/80/1080806080.db2.gz QZMJQUPGSKVMKH-GFCCVEGCSA-N 0 0 401.853 2.394 20 5 HEBDRN COc1cccc(CNC(=O)[C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000746607757 1080815520 /nfs/dbraw/zinc/81/55/20/1080815520.db2.gz PVFKBNRTEAJHQM-GFCCVEGCSA-N 0 0 406.366 2.369 20 5 HEBDRN O=C1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccc(Cl)cc1 ZINC000768831679 1080816231 /nfs/dbraw/zinc/81/62/31/1080816231.db2.gz JLYFYOLIXLKYHK-UHFFFAOYSA-N 0 0 415.880 2.343 20 5 HEBDRN O=C1c2ccccc2C(=O)N1CCCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768838342 1080819381 /nfs/dbraw/zinc/81/93/81/1080819381.db2.gz SEROOKOMYVWVKP-UHFFFAOYSA-N 0 0 409.445 2.011 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000786828389 1080827348 /nfs/dbraw/zinc/82/73/48/1080827348.db2.gz WXPXZAYBPUPKIN-UHFFFAOYSA-N 0 0 402.838 2.358 20 5 HEBDRN O=C1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CN1c1c(F)cccc1F ZINC000768883096 1080831219 /nfs/dbraw/zinc/83/12/19/1080831219.db2.gz UIYTVVBOWYCZNM-QMMMGPOBSA-N 0 0 403.388 2.018 20 5 HEBDRN COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)cc1O ZINC000786796996 1080831418 /nfs/dbraw/zinc/83/14/18/1080831418.db2.gz QSJSNKYKXFEFBV-UHFFFAOYSA-N 0 0 411.436 2.127 20 5 HEBDRN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786802635 1080836032 /nfs/dbraw/zinc/83/60/32/1080836032.db2.gz YPOKNGADOKBVQB-HXUWFJFHSA-N 0 0 419.503 2.072 20 5 HEBDRN CCOC(=O)c1c(N)sc2c1CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC000786803906 1080836086 /nfs/dbraw/zinc/83/60/86/1080836086.db2.gz JZUQBTVDTLLGDN-UHFFFAOYSA-N 0 0 420.447 2.468 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CCO)c2ccco2)ccc1Br ZINC000768897916 1080838358 /nfs/dbraw/zinc/83/83/58/1080838358.db2.gz DKNCRVNHQXMYNE-LLVKDONJSA-N 0 0 405.226 2.352 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H](CCO)c1ccco1 ZINC000768898804 1080838867 /nfs/dbraw/zinc/83/88/67/1080838867.db2.gz GBJHZKAQINDCLX-JTQLQIEISA-N 0 0 405.226 2.352 20 5 HEBDRN COC(=O)N1CCC([C@@H](C)NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000786815926 1080841602 /nfs/dbraw/zinc/84/16/02/1080841602.db2.gz OOAMNBYBQQPTFC-CYBMUJFWSA-N 0 0 406.439 2.234 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c(C(F)(F)F)c1 ZINC000746612225 1080856650 /nfs/dbraw/zinc/85/66/50/1080856650.db2.gz STOXGHUYDMWZGL-UHFFFAOYSA-N 0 0 415.309 2.357 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000786908797 1080878533 /nfs/dbraw/zinc/87/85/33/1080878533.db2.gz AMJBXDQFPIYLKZ-NSHDSACASA-N 0 0 411.871 2.497 20 5 HEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCn2c(Br)cnc2C1 ZINC000786909771 1080880055 /nfs/dbraw/zinc/88/00/55/1080880055.db2.gz UBEPMJJUGCJNIV-UHFFFAOYSA-N 0 0 421.660 2.412 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCn3c(Br)cnc3C2)ccc1[N+](=O)[O-] ZINC000786909736 1080880080 /nfs/dbraw/zinc/88/00/80/1080880080.db2.gz RTSABUVITUEINX-UHFFFAOYSA-N 0 0 401.242 2.067 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1COCCN1CC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786961014 1080893998 /nfs/dbraw/zinc/89/39/98/1080893998.db2.gz RVEVWSPQEIKCGX-GWCFXTLKSA-N 0 0 412.349 2.215 20 5 HEBDRN CCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000786923750 1080896965 /nfs/dbraw/zinc/89/69/65/1080896965.db2.gz VFBFFJFLXZPJRK-SECBINFHSA-N 0 0 421.269 2.462 20 5 HEBDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000769006688 1080897234 /nfs/dbraw/zinc/89/72/34/1080897234.db2.gz SCDIHPCJRILAEM-UHFFFAOYSA-N 0 0 401.423 2.472 20 5 HEBDRN Cc1nccn1-c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000787017211 1080948178 /nfs/dbraw/zinc/94/81/78/1080948178.db2.gz YSEOCCJKSIAPQL-UHFFFAOYSA-N 0 0 410.438 2.227 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000769135399 1080953221 /nfs/dbraw/zinc/95/32/21/1080953221.db2.gz PUBXMPSKHSCKKH-LLVKDONJSA-N 0 0 403.366 2.206 20 5 HEBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)CN1C ZINC000769142010 1080958318 /nfs/dbraw/zinc/95/83/18/1080958318.db2.gz YMMUOQIJUQMTPL-UWVGGRQHSA-N 0 0 403.220 2.364 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C(F)(F)C2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000769189418 1080964014 /nfs/dbraw/zinc/96/40/14/1080964014.db2.gz MFFYZTOJNFABIT-SNVBAGLBSA-N 0 0 402.350 2.414 20 5 HEBDRN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000787116103 1081007032 /nfs/dbraw/zinc/00/70/32/1081007032.db2.gz JTWZHGYACYTFBD-UHFFFAOYSA-N 0 0 411.462 2.136 20 5 HEBDRN CN1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2C1=O ZINC000787099007 1081012555 /nfs/dbraw/zinc/01/25/55/1081012555.db2.gz LUFWKWJEMPCTST-CQSZACIVSA-N 0 0 401.350 2.085 20 5 HEBDRN COc1ccc(OC)c2c1CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C[C@H]2O ZINC000769250393 1081016620 /nfs/dbraw/zinc/01/66/20/1081016620.db2.gz VUYNIARONACXFI-LLVKDONJSA-N 0 0 414.461 2.131 20 5 HEBDRN CCC1(CC)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[S@@]1=O ZINC000769271316 1081024989 /nfs/dbraw/zinc/02/49/89/1081024989.db2.gz YEJJRFWKPNYEPJ-SANMLTNESA-N 0 0 401.872 2.336 20 5 HEBDRN C[C@H](OC(=O)Cc1ccnn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000769334852 1081045824 /nfs/dbraw/zinc/04/58/24/1081045824.db2.gz XGOZXFOOFAURHV-VIFPVBQESA-N 0 0 400.313 2.460 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000787264183 1081098991 /nfs/dbraw/zinc/09/89/91/1081098991.db2.gz RMIGCOCHVZMHSS-OAHLLOKOSA-N 0 0 422.486 2.441 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000769582649 1081136002 /nfs/dbraw/zinc/13/60/02/1081136002.db2.gz XCPNHEAYTBWHJM-UHFFFAOYSA-N 0 0 419.459 2.166 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1[N+](=O)[O-] ZINC000769601452 1081164536 /nfs/dbraw/zinc/16/45/36/1081164536.db2.gz CQCQWSHGHVZDSF-UHFFFAOYSA-N 0 0 419.415 2.048 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000769602478 1081165986 /nfs/dbraw/zinc/16/59/86/1081165986.db2.gz WRWCREIXVKHJFO-UHFFFAOYSA-N 0 0 424.312 2.318 20 5 HEBDRN CCn1c2nnc(COC(=O)c3cccc(OC)c3[N+](=O)[O-])n2c2ccccc2c1=O ZINC000769607324 1081168389 /nfs/dbraw/zinc/16/83/89/1081168389.db2.gz UWLPSHCMYZJNGX-UHFFFAOYSA-N 0 0 423.385 2.338 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164648884 719307859 /nfs/dbraw/zinc/30/78/59/719307859.db2.gz RSFSKXHXNZBMQN-UHFFFAOYSA-N 0 0 402.455 2.178 20 5 HEBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)c1 ZINC001164696068 719797066 /nfs/dbraw/zinc/79/70/66/719797066.db2.gz SDGRSSKEPXQAMH-STQMWFEESA-N 0 0 412.784 2.072 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001164701945 719848426 /nfs/dbraw/zinc/84/84/26/719848426.db2.gz NAELMELJKIOABI-SCLBCKFNSA-N 0 0 412.874 2.184 20 5 HEBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001164697221 719849066 /nfs/dbraw/zinc/84/90/66/719849066.db2.gz BRMYUJIARLZWHI-UGSOOPFHSA-N 0 0 412.874 2.184 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698941 719878652 /nfs/dbraw/zinc/87/86/52/719878652.db2.gz GHWMMLWFSGACQS-LAUBAEHRSA-N 0 0 414.462 2.376 20 5 HEBDRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C3)n1 ZINC001164806916 720055631 /nfs/dbraw/zinc/05/56/31/720055631.db2.gz UEDYZTXGRGNSMH-OTYXRUKQSA-N 0 0 401.757 2.284 20 5 HEBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)nc1Cl ZINC001164760211 721260256 /nfs/dbraw/zinc/26/02/56/721260256.db2.gz DETDRHGZAHVMTF-NEPJUHHUSA-N 0 0 412.784 2.072 20 5 HEBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)nc1Cl ZINC001164760212 721261076 /nfs/dbraw/zinc/26/10/76/721261076.db2.gz DETDRHGZAHVMTF-NWDGAFQWSA-N 0 0 412.784 2.072 20 5 HEBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164783005 721356383 /nfs/dbraw/zinc/35/63/83/721356383.db2.gz OTIQAMOAQCKVOG-HXUWFJFHSA-N 0 0 416.482 2.296 20 5 HEBDRN COc1cc(OC)nc(CN2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)n1 ZINC001165030615 721847709 /nfs/dbraw/zinc/84/77/09/721847709.db2.gz REUFSMHPCFERDZ-UHFFFAOYSA-N 0 0 410.434 2.272 20 5 HEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164941790 721938784 /nfs/dbraw/zinc/93/87/84/721938784.db2.gz JIXPNXGGPAFYNR-KBPBESRZSA-N 0 0 408.846 2.041 20 5 HEBDRN COc1ncnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1[N+](=O)[O-] ZINC001164985350 722181812 /nfs/dbraw/zinc/18/18/12/722181812.db2.gz BKISKZQFBVCRDG-LSDHHAIUSA-N 0 0 420.495 2.028 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC[C@@H]32)cs1 ZINC001164989807 722184044 /nfs/dbraw/zinc/18/40/44/722184044.db2.gz MEAWNNQXPYMUGQ-ROUUACIJSA-N 0 0 419.507 2.171 20 5 HEBDRN CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769667228 1078506388 /nfs/dbraw/zinc/50/63/88/1078506388.db2.gz CMBHRLOSGBMNEM-NSHDSACASA-N 0 0 405.407 2.098 20 5 HEBDRN COc1ccc(OCCOC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000769669083 1078508906 /nfs/dbraw/zinc/50/89/06/1078508906.db2.gz JHLLBWJNQURAJP-UHFFFAOYSA-N 0 0 414.370 2.493 20 5 HEBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000769670159 1078510502 /nfs/dbraw/zinc/51/05/02/1078510502.db2.gz RBMQLOZNVPRJCJ-UHFFFAOYSA-N 0 0 400.318 2.427 20 5 HEBDRN O=C(OCc1nc(-c2ccoc2)no1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769670126 1078510873 /nfs/dbraw/zinc/51/08/73/1078510873.db2.gz QHORJLUGTDIUSV-UHFFFAOYSA-N 0 0 412.314 2.248 20 5 HEBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)NC1CCCCCC1 ZINC000769671726 1078512462 /nfs/dbraw/zinc/51/24/62/1078512462.db2.gz GXNFHZNWSZNNAO-UHFFFAOYSA-N 0 0 417.418 2.244 20 5 HEBDRN CC(C)(C)c1noc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 ZINC000769673798 1078515311 /nfs/dbraw/zinc/51/53/11/1078515311.db2.gz RNGCWAIPCFMDIH-UHFFFAOYSA-N 0 0 402.363 2.286 20 5 HEBDRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769703345 1078526636 /nfs/dbraw/zinc/52/66/36/1078526636.db2.gz KBTWLFVDGHXNGT-UHFFFAOYSA-N 0 0 400.391 2.053 20 5 HEBDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000745537633 1078529333 /nfs/dbraw/zinc/52/93/33/1078529333.db2.gz LTNIFIFQZLTSJP-ZSOIEALJSA-N 0 0 414.823 2.385 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000745517090 1078535958 /nfs/dbraw/zinc/53/59/58/1078535958.db2.gz IZUVJCZYSNQCCS-UHFFFAOYSA-N 0 0 423.813 2.250 20 5 HEBDRN O=C(C[C@H]1C=CS(=O)(=O)C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000769724191 1078536561 /nfs/dbraw/zinc/53/65/61/1078536561.db2.gz VMLTWTLXVQKZTR-SNVBAGLBSA-N 0 0 407.370 2.090 20 5 HEBDRN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000769724189 1078536626 /nfs/dbraw/zinc/53/66/26/1078536626.db2.gz VMLTWTLXVQKZTR-JTQLQIEISA-N 0 0 407.370 2.090 20 5 HEBDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000745561533 1078538894 /nfs/dbraw/zinc/53/88/94/1078538894.db2.gz FAKBLLYYBCTHJE-UHFFFAOYSA-N 0 0 419.369 2.304 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000769755659 1078541635 /nfs/dbraw/zinc/54/16/35/1078541635.db2.gz FMFZTMLHMLKYHY-UHFFFAOYSA-N 0 0 424.369 2.290 20 5 HEBDRN O=C1CN(CN2CC[C@@]3(C2)OCc2ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000769777912 1078552394 /nfs/dbraw/zinc/55/23/94/1078552394.db2.gz PJZWIRLLYPWNJT-NRFANRHFSA-N 0 0 408.414 2.452 20 5 HEBDRN C[C@H](OC(=O)c1cn(Cc2cccs2)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000745560285 1078546594 /nfs/dbraw/zinc/54/65/94/1078546594.db2.gz BSDAOAHJOWAXRP-NSHDSACASA-N 0 0 401.404 2.480 20 5 HEBDRN CN(Cc1cnn(C)c1)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000745568409 1078548772 /nfs/dbraw/zinc/54/87/72/1078548772.db2.gz NUWXMHSPCFJEFJ-UHFFFAOYSA-N 0 0 400.313 2.163 20 5 HEBDRN COc1cccc(CNC(=O)[C@@H](C)OC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000745618145 1078560950 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COc1ccc(NC(=O)COC(=O)CCc2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC000770449509 1078858587 /nfs/dbraw/zinc/85/85/87/1078858587.db2.gz UYPSMTWIWULOIM-UHFFFAOYSA-N 0 0 402.359 2.447 20 5 HEBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000770475351 1078874795 /nfs/dbraw/zinc/87/47/95/1078874795.db2.gz LCLCJBNQQXLIES-KCJUWKMLSA-N 0 0 419.232 2.405 20 5 HEBDRN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766372861 1078938631 /nfs/dbraw/zinc/93/86/31/1078938631.db2.gz GGNDAFQEECHLRH-UHFFFAOYSA-N 0 0 422.353 2.346 20 5 HEBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766395322 1078950501 /nfs/dbraw/zinc/95/05/01/1078950501.db2.gz NZEURPITBGVNNR-UHFFFAOYSA-N 0 0 404.354 2.370 20 5 HEBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000746435719 1078956253 /nfs/dbraw/zinc/95/62/53/1078956253.db2.gz HLMWWVYSGOKKTD-UHFFFAOYSA-N 0 0 414.809 2.143 20 5 HEBDRN CCc1sc(NC(=O)Cn2c3ccc([N+](=O)[O-])cc3oc2=O)c(C(N)=O)c1C ZINC000770711935 1078979673 /nfs/dbraw/zinc/97/96/73/1078979673.db2.gz ARZPWVKSVUAOQX-UHFFFAOYSA-N 0 0 404.404 2.173 20 5 HEBDRN CCC[C@@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000766431437 1079001306 /nfs/dbraw/zinc/00/13/06/1079001306.db2.gz UHUOQWMJTRSJGW-CYBMUJFWSA-N 0 0 410.427 2.227 20 5 HEBDRN CC(=O)N1CCC[C@@H](COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000766463055 1079013442 /nfs/dbraw/zinc/01/34/42/1079013442.db2.gz OWFAJOKQQVIOSW-KGLIPLIRSA-N 0 0 409.464 2.063 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000770784287 1079013776 /nfs/dbraw/zinc/01/37/76/1079013776.db2.gz RSLONDQZRCPJDA-UHFFFAOYSA-N 0 0 412.446 2.492 20 5 HEBDRN C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000770802918 1079025236 /nfs/dbraw/zinc/02/52/36/1079025236.db2.gz ORSSIFKRYPTULA-UMBAGQNISA-N 0 0 400.229 2.048 20 5 HEBDRN COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000766502134 1079043591 /nfs/dbraw/zinc/04/35/91/1079043591.db2.gz LUGODDRNHAFFQR-INIZCTEOSA-N 0 0 403.416 2.164 20 5 HEBDRN CCc1nc(-c2ccc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000770873499 1079039240 /nfs/dbraw/zinc/03/92/40/1079039240.db2.gz YYXLASRXUZYIDZ-UHFFFAOYSA-N 0 0 424.417 2.310 20 5 HEBDRN O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000770829019 1079050617 /nfs/dbraw/zinc/05/06/17/1079050617.db2.gz JFLZUGAXODAJCY-GHTZIAJQSA-N 0 0 413.474 2.412 20 5 HEBDRN CC1([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)C2)OCCO1 ZINC000766537461 1079072433 /nfs/dbraw/zinc/07/24/33/1079072433.db2.gz CZZZKLSOSJLJIV-ZDUSSCGKSA-N 0 0 407.448 2.307 20 5 HEBDRN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1[C@H](C)O ZINC000766538731 1079072811 /nfs/dbraw/zinc/07/28/11/1079072811.db2.gz PECNWZSYUPKZKX-LBPRGKRZSA-N 0 0 402.432 2.378 20 5 HEBDRN Cn1nccc1COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000766528277 1079074304 /nfs/dbraw/zinc/07/43/04/1079074304.db2.gz DAGLLOZPDKLSBO-UHFFFAOYSA-N 0 0 417.399 2.453 20 5 HEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cccc2nccn21 ZINC000770924471 1079082653 /nfs/dbraw/zinc/08/26/53/1079082653.db2.gz IFJUOZUCCZVONB-ZDUSSCGKSA-N 0 0 418.431 2.430 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC2(CC1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010737 1079098572 /nfs/dbraw/zinc/09/85/72/1079098572.db2.gz FZBIUXRMIFBCRH-HZPDHXFCSA-N 0 0 420.514 2.265 20 5 HEBDRN CCn1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000766568888 1079104327 /nfs/dbraw/zinc/10/43/27/1079104327.db2.gz WTUWVGYRODPREJ-KRWDZBQOSA-N 0 0 416.459 2.490 20 5 HEBDRN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000766589894 1079128602 /nfs/dbraw/zinc/12/86/02/1079128602.db2.gz HBTABFRFMDISSK-BLLLJJGKSA-N 0 0 421.841 2.035 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCC23OCCO3)cc1OC ZINC000766585544 1079136231 /nfs/dbraw/zinc/13/62/31/1079136231.db2.gz QBRXVHYMJGPCQV-KRWDZBQOSA-N 0 0 410.423 2.044 20 5 HEBDRN COc1cc2c(c(OC)c1OC)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000771090619 1079146627 /nfs/dbraw/zinc/14/66/27/1079146627.db2.gz IBVXVOVLXWXAAH-UHFFFAOYSA-N 0 0 401.419 2.444 20 5 HEBDRN Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000766603719 1079154783 /nfs/dbraw/zinc/15/47/83/1079154783.db2.gz ZYJPNSSWQQGLDV-BBRMVZONSA-N 0 0 421.841 2.035 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000771157855 1079171870 /nfs/dbraw/zinc/17/18/70/1079171870.db2.gz QFNFGXISTGDPHQ-IBGZPJMESA-N 0 0 420.422 2.035 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1(F)F ZINC001169166998 1079174845 /nfs/dbraw/zinc/17/48/45/1079174845.db2.gz CVVRTMKJWCUGAR-CYBMUJFWSA-N 0 0 418.418 2.340 20 5 HEBDRN CCCCCCNC(=O)Cc1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000771180423 1079211723 /nfs/dbraw/zinc/21/17/23/1079211723.db2.gz DWVAVYGSGQVWMC-UHFFFAOYSA-N 0 0 417.422 2.142 20 5 HEBDRN CCOC(=O)COc1ncc(NCC2CCC3(CCC(=O)N3)CC2)cc1[N+](=O)[O-] ZINC001169296001 1079226889 /nfs/dbraw/zinc/22/68/89/1079226889.db2.gz MZMMBAGQOKYPBU-UHFFFAOYSA-N 0 0 406.439 2.183 20 5 HEBDRN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766663367 1079226919 /nfs/dbraw/zinc/22/69/19/1079226919.db2.gz PFKATMBRGHDXAI-BHYGNILZSA-N 0 0 413.434 2.262 20 5 HEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000804320594 1079259642 /nfs/dbraw/zinc/25/96/42/1079259642.db2.gz SCTMIOJDHBUEDB-UHFFFAOYSA-N 0 0 409.376 2.316 20 5 HEBDRN Cc1c[n+]([O-])c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)cc1[N+](=O)[O-] ZINC001169508943 1079317177 /nfs/dbraw/zinc/31/71/77/1079317177.db2.gz AJDOEXVOAULGPY-AEFFLSMTSA-N 0 0 400.435 2.408 20 5 HEBDRN O=C(c1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000766756215 1079334171 /nfs/dbraw/zinc/33/41/71/1079334171.db2.gz ICHLYBPDKFFVEK-UHFFFAOYSA-N 0 0 417.487 2.493 20 5 HEBDRN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771491334 1079357283 /nfs/dbraw/zinc/35/72/83/1079357283.db2.gz LMKSJVIBXNAWMM-UHFFFAOYSA-N 0 0 411.411 2.466 20 5 HEBDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Oc3cc(F)cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000771482130 1079354837 /nfs/dbraw/zinc/35/48/37/1079354837.db2.gz VPDBKOLRUAJVAG-IBGZPJMESA-N 0 0 401.350 2.415 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766772225 1079355200 /nfs/dbraw/zinc/35/52/00/1079355200.db2.gz OAOGAFQOBFCROX-DOTOQJQBSA-N 0 0 403.439 2.135 20 5 HEBDRN O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771509967 1079366063 /nfs/dbraw/zinc/36/60/63/1079366063.db2.gz QJAGILHPTZEFJW-OAHLLOKOSA-N 0 0 423.414 2.432 20 5 HEBDRN O=C(NCc1ccccc1CN1CCOCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502567 1079361773 /nfs/dbraw/zinc/36/17/73/1079361773.db2.gz RKLYNEPARICBMN-UHFFFAOYSA-N 0 0 413.459 2.362 20 5 HEBDRN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503533 1079364549 /nfs/dbraw/zinc/36/45/49/1079364549.db2.gz YQGLHDUZNNDVLO-INIZCTEOSA-N 0 0 413.459 2.403 20 5 HEBDRN NC(=O)c1ccn(-c2ccccc2NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000771507769 1079365163 /nfs/dbraw/zinc/36/51/63/1079365163.db2.gz AFBDGNUAJZZOCK-UHFFFAOYSA-N 0 0 409.387 2.136 20 5 HEBDRN O=C(Cc1noc(-c2ccc(Cn3cccn3)o2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771622448 1079406576 /nfs/dbraw/zinc/40/65/76/1079406576.db2.gz BNSXOJMYPRLNNS-UHFFFAOYSA-N 0 0 408.374 2.342 20 5 HEBDRN COC(=O)C1(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000766827566 1079412378 /nfs/dbraw/zinc/41/23/78/1079412378.db2.gz NBJTXIXZKRZWLZ-MRVPVSSYSA-N 0 0 404.297 2.437 20 5 HEBDRN O=C(NCCc1ccc(Cl)nc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766822809 1079422190 /nfs/dbraw/zinc/42/21/90/1079422190.db2.gz LIJCOWUMXFAORG-UHFFFAOYSA-N 0 0 402.794 2.269 20 5 HEBDRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001169852867 1079448173 /nfs/dbraw/zinc/44/81/73/1079448173.db2.gz UAMXZHVNOXGMAE-JTQLQIEISA-N 0 0 409.386 2.015 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000771682509 1079448638 /nfs/dbraw/zinc/44/86/38/1079448638.db2.gz AHKXVORNYGZUHF-WLRWDXFRSA-N 0 0 406.366 2.172 20 5 HEBDRN NC(=O)c1cc(OC2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)ccn1 ZINC000771684055 1079448697 /nfs/dbraw/zinc/44/86/97/1079448697.db2.gz QCSBDXBBQMSUQB-UHFFFAOYSA-N 0 0 411.418 2.021 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000766850362 1079450827 /nfs/dbraw/zinc/45/08/27/1079450827.db2.gz FRZSKRHAPACLBI-RDJZCZTQSA-N 0 0 408.480 2.222 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 ZINC000766862054 1079451257 /nfs/dbraw/zinc/45/12/57/1079451257.db2.gz GZWYAGGLTRZUCK-UHFFFAOYSA-N 0 0 405.411 2.484 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771732462 1079468628 /nfs/dbraw/zinc/46/86/28/1079468628.db2.gz XTKFUCYTEFBIHJ-UHFFFAOYSA-N 0 0 401.460 2.311 20 5 HEBDRN CCOC(=O)COc1ncc(NCCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001169930027 1079479027 /nfs/dbraw/zinc/47/90/27/1079479027.db2.gz CCAHMVYKABRIEQ-UHFFFAOYSA-N 0 0 405.363 2.151 20 5 HEBDRN COC(=O)Nc1ccc(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000737601394 1075911379 /nfs/dbraw/zinc/91/13/79/1075911379.db2.gz USRGZEAFGSWQEJ-UHFFFAOYSA-N 0 0 414.418 2.252 20 5 HEBDRN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766229113 1075938888 /nfs/dbraw/zinc/93/88/88/1075938888.db2.gz ZXBKSZWEFKIPHF-MRXNPFEDSA-N 0 0 415.402 2.244 20 5 HEBDRN Cc1cn(CN2CCCN(C(=O)C(C)C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738090875 1075960102 /nfs/dbraw/zinc/96/01/02/1075960102.db2.gz UIAQYPBVYGGYAN-UHFFFAOYSA-N 0 0 401.467 2.003 20 5 HEBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)NC(=O)NCC(F)(F)F ZINC000766234763 1075961317 /nfs/dbraw/zinc/96/13/17/1075961317.db2.gz XNLCIVQOXXAMCQ-MRVPVSSYSA-N 0 0 414.296 2.076 20 5 HEBDRN O=C(Oc1ccccc1)N1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738143819 1075962791 /nfs/dbraw/zinc/96/27/91/1075962791.db2.gz IOSSDDYJBXYUTE-UHFFFAOYSA-N 0 0 424.413 2.355 20 5 HEBDRN CCOC(=O)c1ccc(Nc2cc(=O)n(C)c(=O)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001169960380 1079495066 /nfs/dbraw/zinc/49/50/66/1079495066.db2.gz PGXNOPHKOJKMEV-UHFFFAOYSA-N 0 0 410.386 2.365 20 5 HEBDRN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(CC(F)(F)C(F)F)CC3)n2)cc1 ZINC000738234866 1075980104 /nfs/dbraw/zinc/98/01/04/1075980104.db2.gz VXLIDBDSMLQBDX-UHFFFAOYSA-N 0 0 402.352 2.329 20 5 HEBDRN Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738408578 1075994841 /nfs/dbraw/zinc/99/48/41/1075994841.db2.gz KFMAWTCONFRRGC-UHFFFAOYSA-N 0 0 401.828 2.248 20 5 HEBDRN Cc1c(C(=O)N2CCN(Cc3cccc(O)c3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738527374 1075999797 /nfs/dbraw/zinc/99/97/97/1075999797.db2.gz ZFTNIHRYVYPVBV-UHFFFAOYSA-N 0 0 400.391 2.475 20 5 HEBDRN CC[C@@H](OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000738636079 1076011281 /nfs/dbraw/zinc/01/12/81/1076011281.db2.gz WORKKAIVANYKRS-QGZVFWFLSA-N 0 0 420.443 2.468 20 5 HEBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(N2CCNC2=O)ccc1F ZINC000738687974 1076015638 /nfs/dbraw/zinc/01/56/38/1076015638.db2.gz BNHNJJHQWXCBJZ-UHFFFAOYSA-N 0 0 417.349 2.487 20 5 HEBDRN O=C(CCN1C(=O)CCc2ccccc21)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738871281 1076025782 /nfs/dbraw/zinc/02/57/82/1076025782.db2.gz GQINWSMUBNJGDW-UHFFFAOYSA-N 0 0 423.425 2.397 20 5 HEBDRN CC(C)(C)CCC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000739156163 1076050450 /nfs/dbraw/zinc/05/04/50/1076050450.db2.gz LLGBAHGPJZDIIF-UHFFFAOYSA-N 0 0 400.453 2.347 20 5 HEBDRN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000739160124 1076050862 /nfs/dbraw/zinc/05/08/62/1076050862.db2.gz KAJGKONFARLDDM-GFCCVEGCSA-N 0 0 423.403 2.428 20 5 HEBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000739222561 1076053909 /nfs/dbraw/zinc/05/39/09/1076053909.db2.gz JRMUWAGOQVLXGW-OAHLLOKOSA-N 0 0 411.414 2.311 20 5 HEBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739397545 1076057323 /nfs/dbraw/zinc/05/73/23/1076057323.db2.gz PHSYWBXHWCVEMU-UHFFFAOYSA-N 0 0 419.375 2.374 20 5 HEBDRN CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000739579816 1076063870 /nfs/dbraw/zinc/06/38/70/1076063870.db2.gz KTQMRCVQRFGGEB-OAHLLOKOSA-N 0 0 414.212 2.121 20 5 HEBDRN Cc1c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000739817005 1076080380 /nfs/dbraw/zinc/08/03/80/1076080380.db2.gz ORHKFTHUAXQIHX-UHFFFAOYSA-N 0 0 400.273 2.078 20 5 HEBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000739897806 1076085723 /nfs/dbraw/zinc/08/57/23/1076085723.db2.gz SBRPAHMHPJZJIT-CQSZACIVSA-N 0 0 409.386 2.147 20 5 HEBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000739897805 1076085771 /nfs/dbraw/zinc/08/57/71/1076085771.db2.gz SBRPAHMHPJZJIT-AWEZNQCLSA-N 0 0 409.386 2.147 20 5 HEBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740147507 1076106060 /nfs/dbraw/zinc/10/60/60/1076106060.db2.gz HWAXBPMFKDPFHK-CQSZACIVSA-N 0 0 408.794 2.248 20 5 HEBDRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000740232280 1076129864 /nfs/dbraw/zinc/12/98/64/1076129864.db2.gz OEOBSTKKEACCMX-SNVBAGLBSA-N 0 0 424.435 2.367 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccnc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000740339401 1076154767 /nfs/dbraw/zinc/15/47/67/1076154767.db2.gz JRSDMFSFYCLKBD-LBPRGKRZSA-N 0 0 411.374 2.368 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000766251439 1076158432 /nfs/dbraw/zinc/15/84/32/1076158432.db2.gz ZZSCJFZTBQREGF-HNNXBMFYSA-N 0 0 402.451 2.154 20 5 HEBDRN CCOC(=O)C1CCN(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740386646 1076158823 /nfs/dbraw/zinc/15/88/23/1076158823.db2.gz CFYQSNDWMLRBSK-UHFFFAOYSA-N 0 0 406.435 2.217 20 5 HEBDRN C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740399710 1076164342 /nfs/dbraw/zinc/16/43/42/1076164342.db2.gz RXPVHFQRZYBENK-HLVVYCRESA-N 0 0 401.375 2.491 20 5 HEBDRN Cn1cc(N2CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)cn1 ZINC000740410735 1076166459 /nfs/dbraw/zinc/16/64/59/1076166459.db2.gz SZFRRRFTBDKMMQ-ZDUSSCGKSA-N 0 0 409.196 2.053 20 5 HEBDRN Cn1ncc2c1nc(COC(=O)c1ccc([N+](=O)[O-])cc1Br)[nH]c2=O ZINC000740421589 1076167030 /nfs/dbraw/zinc/16/70/30/1076167030.db2.gz FDGDCMGZESREFE-UHFFFAOYSA-N 0 0 408.168 2.097 20 5 HEBDRN Cc1ccc(NCCCNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)c([N+](=O)[O-])c1 ZINC000740509950 1076197656 /nfs/dbraw/zinc/19/76/56/1076197656.db2.gz KNCQMCHEKIXZLB-UHFFFAOYSA-N 0 0 416.482 2.392 20 5 HEBDRN CC1(C)CN=C(N2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)S1 ZINC000740714476 1076215005 /nfs/dbraw/zinc/21/50/05/1076215005.db2.gz XMMZYTCKAYZMAI-UHFFFAOYSA-N 0 0 406.464 2.005 20 5 HEBDRN Cc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1S(N)(=O)=O ZINC000740750420 1076233748 /nfs/dbraw/zinc/23/37/48/1076233748.db2.gz GWNBTLIGEZJHFJ-UHFFFAOYSA-N 0 0 401.404 2.193 20 5 HEBDRN Cc1ccc([C@@](O)(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000740753788 1076235358 /nfs/dbraw/zinc/23/53/58/1076235358.db2.gz TVTWMVQFRKDULL-INIZCTEOSA-N 0 0 416.308 2.479 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000740790962 1076239386 /nfs/dbraw/zinc/23/93/86/1076239386.db2.gz RRCPHVNIPLQOMA-IBGZPJMESA-N 0 0 408.414 2.072 20 5 HEBDRN CCOC(=O)c1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC000737395203 1076243082 /nfs/dbraw/zinc/24/30/82/1076243082.db2.gz ALGHVQDJIOMNOS-UHFFFAOYSA-N 0 0 401.379 2.401 20 5 HEBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(C(=O)NCCCOC)CC1 ZINC000740866278 1076274951 /nfs/dbraw/zinc/27/49/51/1076274951.db2.gz MOFRFESYVYRTJC-UHFFFAOYSA-N 0 0 411.430 2.280 20 5 HEBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000740868652 1076275349 /nfs/dbraw/zinc/27/53/49/1076275349.db2.gz ARUDCFQONACCOR-UHFFFAOYSA-N 0 0 416.409 2.336 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H](O)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000740870392 1076275892 /nfs/dbraw/zinc/27/58/92/1076275892.db2.gz APPMQFAQJKESSG-MGPLVRAMSA-N 0 0 423.372 2.310 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000766261900 1076318891 /nfs/dbraw/zinc/31/88/91/1076318891.db2.gz AXWRMMFIXRLLKT-HNNXBMFYSA-N 0 0 424.523 2.069 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000741022723 1076339917 /nfs/dbraw/zinc/33/99/17/1076339917.db2.gz WTQSIUOHMSZCCS-LPMFXHHGSA-N 0 0 423.466 2.219 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000741026053 1076342416 /nfs/dbraw/zinc/34/24/16/1076342416.db2.gz IXACPJOZVXPCJG-VFVRVIDISA-N 0 0 411.430 2.349 20 5 HEBDRN O=C(COC(=O)c1ccccc1CN1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741153587 1076387715 /nfs/dbraw/zinc/38/77/15/1076387715.db2.gz ZJLJYJASZRXXAQ-UHFFFAOYSA-N 0 0 417.393 2.362 20 5 HEBDRN O=C(COC(=O)c1ccccc1CN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741150852 1076392920 /nfs/dbraw/zinc/39/29/20/1076392920.db2.gz OMIQQRXYFHFSDL-UHFFFAOYSA-N 0 0 417.393 2.362 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000741185213 1076399916 /nfs/dbraw/zinc/39/99/16/1076399916.db2.gz UBUAISJKXZQYGU-AWEZNQCLSA-N 0 0 406.439 2.154 20 5 HEBDRN C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741200904 1076414949 /nfs/dbraw/zinc/41/49/49/1076414949.db2.gz ABQJOROARFWXIZ-IERDGZPVSA-N 0 0 423.473 2.350 20 5 HEBDRN CCO[C@@H]1C[C@H](O)C12CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000741243575 1076433650 /nfs/dbraw/zinc/43/36/50/1076433650.db2.gz QNMCYYBRDBTPHX-LSDHHAIUSA-N 0 0 420.434 2.347 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]2CCO[C@@H]21 ZINC000741259906 1076447521 /nfs/dbraw/zinc/44/75/21/1076447521.db2.gz QTUJPMRFAMETQH-WQAKAFBOSA-N 0 0 405.270 2.449 20 5 HEBDRN O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000741290458 1076459640 /nfs/dbraw/zinc/45/96/40/1076459640.db2.gz INQOACIYCHWRJL-OAHLLOKOSA-N 0 0 405.773 2.431 20 5 HEBDRN O=C(COC(=O)c1cccc(CN2CCOCC2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741334877 1076480844 /nfs/dbraw/zinc/48/08/44/1076480844.db2.gz BMLBPFAHRNWJGO-UHFFFAOYSA-N 0 0 417.393 2.362 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741360747 1076484856 /nfs/dbraw/zinc/48/48/56/1076484856.db2.gz LNMXQEKASVAHFA-ZDUSSCGKSA-N 0 0 424.429 2.293 20 5 HEBDRN Cc1c(NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000741434545 1076526425 /nfs/dbraw/zinc/52/64/25/1076526425.db2.gz AWUNSTXKLFHMRQ-AWEZNQCLSA-N 0 0 406.439 2.261 20 5 HEBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741439468 1076530008 /nfs/dbraw/zinc/53/00/08/1076530008.db2.gz GWTVOZMKOOATOE-UHFFFAOYSA-N 0 0 419.733 2.496 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN(c2ncnc3ccsc32)CC1 ZINC000741595722 1076549535 /nfs/dbraw/zinc/54/95/35/1076549535.db2.gz YYHUKJMOOGAFEK-UHFFFAOYSA-N 0 0 423.458 2.298 20 5 HEBDRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000741577893 1076551769 /nfs/dbraw/zinc/55/17/69/1076551769.db2.gz NHIUWWNFTRTNBM-INIZCTEOSA-N 0 0 416.453 2.440 20 5 HEBDRN Cc1ccc(N2CC[C@@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2=O)cc1 ZINC000741620238 1076558155 /nfs/dbraw/zinc/55/81/55/1076558155.db2.gz VEMVUAYFZVIIBN-QGZVFWFLSA-N 0 0 406.402 2.019 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000741728405 1076609344 /nfs/dbraw/zinc/60/93/44/1076609344.db2.gz AJUIHXIGCNVTQB-TXEJJXNPSA-N 0 0 421.841 2.333 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000741751185 1076619071 /nfs/dbraw/zinc/61/90/71/1076619071.db2.gz ASMGLRCWQDEVHV-UHFFFAOYSA-N 0 0 403.366 2.434 20 5 HEBDRN CN(CCCC(=O)NCc1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000741906169 1076666444 /nfs/dbraw/zinc/66/64/44/1076666444.db2.gz LROLTQRRZWUTRX-UHFFFAOYSA-N 0 0 416.459 2.072 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2=O)cc1 ZINC000742135572 1076751029 /nfs/dbraw/zinc/75/10/29/1076751029.db2.gz LMYNRKPVPMRUHH-QGZVFWFLSA-N 0 0 411.414 2.406 20 5 HEBDRN COc1ccccc1C(=O)N1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742146171 1076758560 /nfs/dbraw/zinc/75/85/60/1076758560.db2.gz VEJXAUODWUQIND-UHFFFAOYSA-N 0 0 422.445 2.277 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000742128831 1076759455 /nfs/dbraw/zinc/75/94/55/1076759455.db2.gz ZUIAIYJTSAUJHX-MRXNPFEDSA-N 0 0 416.434 2.139 20 5 HEBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000742155019 1076768827 /nfs/dbraw/zinc/76/88/27/1076768827.db2.gz HUVJHFQZPOHEGR-UHFFFAOYSA-N 0 0 406.402 2.158 20 5 HEBDRN COC(=O)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC(C)C ZINC000742309683 1076814901 /nfs/dbraw/zinc/81/49/01/1076814901.db2.gz SXXGAJVTJDTLGG-JTQLQIEISA-N 0 0 423.285 2.471 20 5 HEBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742287096 1076816359 /nfs/dbraw/zinc/81/63/59/1076816359.db2.gz AYSPHSJYQQVGJV-CHWSQXEVSA-N 0 0 414.484 2.446 20 5 HEBDRN Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742291230 1076819151 /nfs/dbraw/zinc/81/91/51/1076819151.db2.gz LQYVRMSTQDIGAP-SECBINFHSA-N 0 0 403.258 2.439 20 5 HEBDRN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC000742293421 1076819802 /nfs/dbraw/zinc/81/98/02/1076819802.db2.gz GZGRPVFVKJLWIR-MRVPVSSYSA-N 0 0 409.258 2.366 20 5 HEBDRN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000742320327 1076823047 /nfs/dbraw/zinc/82/30/47/1076823047.db2.gz FXODFBMMVDVLAO-UHFFFAOYSA-N 0 0 418.880 2.173 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742321203 1076823261 /nfs/dbraw/zinc/82/32/61/1076823261.db2.gz LNUSIPICCKHDOU-MRXNPFEDSA-N 0 0 419.459 2.386 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])c1 ZINC000742412248 1076835706 /nfs/dbraw/zinc/83/57/06/1076835706.db2.gz JWCIHODSUZZRRU-YUNKPMOVSA-N 0 0 419.434 2.416 20 5 HEBDRN C[C@H]1CN=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)S1 ZINC000742415053 1076836062 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ZINC000766997246 1079598413 /nfs/dbraw/zinc/59/84/13/1079598413.db2.gz XCESFNJOIDUQBZ-UHFFFAOYSA-N 0 0 418.406 2.255 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000767061181 1079634106 /nfs/dbraw/zinc/63/41/06/1079634106.db2.gz XIDNEVWAKRQWRB-UHFFFAOYSA-N 0 0 400.363 2.304 20 5 HEBDRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1F ZINC000767073779 1079643801 /nfs/dbraw/zinc/64/38/01/1079643801.db2.gz YIKKIEGPKSPDKW-UHFFFAOYSA-N 0 0 404.397 2.263 20 5 HEBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772055694 1079674584 /nfs/dbraw/zinc/67/45/84/1079674584.db2.gz GADWZQOYMBZQBF-UHFFFAOYSA-N 0 0 401.206 2.451 20 5 HEBDRN CCOC1CC(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000767167581 1079703692 /nfs/dbraw/zinc/70/36/92/1079703692.db2.gz ZIGXXIRCGUDJOD-VBKFSLOCSA-N 0 0 403.479 2.384 20 5 HEBDRN O=C(OCc1cn(Cc2ccccc2)nn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000772108641 1079712894 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ZINC000768843824 1080821538 /nfs/dbraw/zinc/82/15/38/1080821538.db2.gz NXDLZLQVZYGFFI-AEGPPILISA-N 0 0 407.473 2.092 20 5 HEBDRN Cn1ncnc1COc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000746604012 1080822174 /nfs/dbraw/zinc/82/21/74/1080822174.db2.gz XGLMREZXWBJJMX-UHFFFAOYSA-N 0 0 408.367 2.209 20 5 HEBDRN CNc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000768846715 1080823225 /nfs/dbraw/zinc/82/32/25/1080823225.db2.gz ADHIDPVDOAOFEY-UHFFFAOYSA-N 0 0 404.448 2.090 20 5 HEBDRN O=C([C@H]1CC12CCN(S(=O)(=O)c1csc([N+](=O)[O-])c1)CC2)N1CCCCC1 ZINC000768882619 1080830657 /nfs/dbraw/zinc/83/06/57/1080830657.db2.gz QCSHTDOPOYCHEH-CQSZACIVSA-N 0 0 413.521 2.460 20 5 HEBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@]3(CCOC3)C2)c1=S ZINC000768898878 1080838838 /nfs/dbraw/zinc/83/88/38/1080838838.db2.gz HGICQQCWONHTQF-SFHVURJKSA-N 0 0 405.480 2.458 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000768948103 1080847679 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419.459 2.015 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)OCCn3cc([N+](=O)[O-])cn3)n[nH]2)C1 ZINC000786991469 1080945858 /nfs/dbraw/zinc/94/58/58/1080945858.db2.gz XUAXARIHRCZUTH-GFCCVEGCSA-N 0 0 420.426 2.096 20 5 HEBDRN COC(=O)c1cnc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000787024349 1080954008 /nfs/dbraw/zinc/95/40/08/1080954008.db2.gz DPTOOWWPARIPMX-GFCCVEGCSA-N 0 0 404.354 2.136 20 5 HEBDRN O=C(CCCN1C(=O)CCC1=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787026905 1080955228 /nfs/dbraw/zinc/95/52/28/1080955228.db2.gz QDQDUAJBIGHNAR-CQSZACIVSA-N 0 0 407.398 2.175 20 5 HEBDRN O=C(C[C@H]1CCS(=O)(=O)C1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787030173 1080956236 /nfs/dbraw/zinc/95/62/36/1080956236.db2.gz JCWLCQNKXWBJFZ-TZMCWYRMSA-N 0 0 400.428 2.071 20 5 HEBDRN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787032587 1080957326 /nfs/dbraw/zinc/95/73/26/1080957326.db2.gz SGUBWGSMDTUVSU-AWEZNQCLSA-N 0 0 407.358 2.441 20 5 HEBDRN COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cc([N+](=O)[O-])ccc3N)C2=O)c1 ZINC000787109853 1081003781 /nfs/dbraw/zinc/00/37/81/1081003781.db2.gz PQMYTAIIMDOORB-SFHVURJKSA-N 0 0 414.418 2.072 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000769265959 1081021612 /nfs/dbraw/zinc/02/16/12/1081021612.db2.gz DYYCMNBZYDKFDC-SECBINFHSA-N 0 0 400.819 2.216 20 5 HEBDRN Cc1nc(Cn2nnc(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)c2C)no1 ZINC000787146865 1081028229 /nfs/dbraw/zinc/02/82/29/1081028229.db2.gz MGQYJLXTTKCUBK-UHFFFAOYSA-N 0 0 416.394 2.379 20 5 HEBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1O ZINC000769282434 1081030769 /nfs/dbraw/zinc/03/07/69/1081030769.db2.gz YDBLVVAJBQQQEM-UHFFFAOYSA-N 0 0 401.419 2.418 20 5 HEBDRN C[C@H]1CCC[C@@H]1CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000769284649 1081031563 /nfs/dbraw/zinc/03/15/63/1081031563.db2.gz VOZYANVMSMZGIE-UONOGXRCSA-N 0 0 412.464 2.347 20 5 HEBDRN CN1Cc2cc(OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2C1=O ZINC000769294984 1081031927 /nfs/dbraw/zinc/03/19/27/1081031927.db2.gz QOBADVBSJSNHDB-AWEZNQCLSA-N 0 0 415.427 2.452 20 5 HEBDRN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746654582 1081042171 /nfs/dbraw/zinc/04/21/71/1081042171.db2.gz OWTSTRUGQVAIPZ-UHFFFAOYSA-N 0 0 414.871 2.360 20 5 HEBDRN Cc1cc(F)ccc1[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000746654746 1081042277 /nfs/dbraw/zinc/04/22/77/1081042277.db2.gz RESJFHQEVIXSPT-IBGZPJMESA-N 0 0 423.466 2.082 20 5 HEBDRN NC(=O)Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000746656141 1081042515 /nfs/dbraw/zinc/04/25/15/1081042515.db2.gz YVAHCXYXHGIBNF-UHFFFAOYSA-N 0 0 415.221 2.153 20 5 HEBDRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000787183342 1081043162 /nfs/dbraw/zinc/04/31/62/1081043162.db2.gz TYDBHTSOBMGPMB-UHFFFAOYSA-N 0 0 415.402 2.044 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000769353035 1081051900 /nfs/dbraw/zinc/05/19/00/1081051900.db2.gz GBTUYEPXKPIIPG-CJNGLKHVSA-N 0 0 405.363 2.369 20 5 HEBDRN CNS(=O)(=O)CCCOC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787247202 1081070007 /nfs/dbraw/zinc/07/00/07/1081070007.db2.gz MJVODSZRQLMAGU-UHFFFAOYSA-N 0 0 408.432 2.270 20 5 HEBDRN Cn1c(Cl)ncc1S(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769429715 1081071082 /nfs/dbraw/zinc/07/10/82/1081071082.db2.gz OYSKGCDMCMEVKJ-UHFFFAOYSA-N 0 0 400.844 2.214 20 5 HEBDRN NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000769435848 1081073806 /nfs/dbraw/zinc/07/38/06/1081073806.db2.gz ZRJSJSVRIAUKGD-UHFFFAOYSA-N 0 0 415.221 2.153 20 5 HEBDRN CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000746663825 1081077021 /nfs/dbraw/zinc/07/70/21/1081077021.db2.gz AGFBXRIMEPJEPV-SECBINFHSA-N 0 0 407.164 2.213 20 5 HEBDRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000787236621 1081083488 /nfs/dbraw/zinc/08/34/88/1081083488.db2.gz TTWDQTWMFHWFAB-UHFFFAOYSA-N 0 0 414.249 2.279 20 5 HEBDRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000769453042 1081085116 /nfs/dbraw/zinc/08/51/16/1081085116.db2.gz HTQPQQJNUAKDEX-UHFFFAOYSA-N 0 0 407.373 2.470 20 5 HEBDRN O=C(CN1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1)N1CCCCCC1 ZINC000769469390 1081090166 /nfs/dbraw/zinc/09/01/66/1081090166.db2.gz UTAIJENTXHCSBB-UHFFFAOYSA-N 0 0 410.421 2.033 20 5 HEBDRN COC(=O)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC000769496192 1081096418 /nfs/dbraw/zinc/09/64/18/1081096418.db2.gz YJDKTMMCZVQRKH-GOSISDBHSA-N 0 0 404.350 2.078 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nnc3ccccn32)c(C(F)(F)F)c1 ZINC000746670011 1081105835 /nfs/dbraw/zinc/10/58/35/1081105835.db2.gz HBHATNBHZZVQSP-UHFFFAOYSA-N 0 0 415.353 2.177 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000769635881 1081155265 /nfs/dbraw/zinc/15/52/65/1081155265.db2.gz LCBUDOYUICHFEI-CYBMUJFWSA-N 0 0 424.479 2.477 20 5 HEBDRN COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000769600695 1081164721 /nfs/dbraw/zinc/16/47/21/1081164721.db2.gz NVQNHKSVWLQQBD-NSHDSACASA-N 0 0 422.415 2.191 20 5 HEBDRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769603792 1081165922 /nfs/dbraw/zinc/16/59/22/1081165922.db2.gz SHSBTEWVVJQQLP-ZDUSSCGKSA-N 0 0 407.452 2.397 20 5 HEBDRN Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769604818 1081166481 /nfs/dbraw/zinc/16/64/81/1081166481.db2.gz NQQJQMLGXCFOMM-IUXPMGMMSA-N 0 0 422.380 2.220 20 5 HEBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2CCCO[C@@H]12 ZINC001164803961 721565008 /nfs/dbraw/zinc/56/50/08/721565008.db2.gz JZLTZVPUDREWLV-FRQCXROJSA-N 0 0 419.869 2.145 20 5 HEBDRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)[C@@H]2C1 ZINC001164946402 721983245 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PKMVJMTVKVZCQY-WQTJRACASA-N 0 0 403.464 2.345 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000769623537 1078477817 /nfs/dbraw/zinc/47/78/17/1078477817.db2.gz PAYJBLMKKJTBLY-UHFFFAOYSA-N 0 0 407.346 2.495 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000769650250 1078485082 /nfs/dbraw/zinc/48/50/82/1078485082.db2.gz BESVXUIGCUQUGR-UHFFFAOYSA-N 0 0 417.193 2.307 20 5 HEBDRN Cc1nn(-c2ccc(F)cc2)nc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000745470728 1078502559 /nfs/dbraw/zinc/50/25/59/1078502559.db2.gz XAYBFWCCHSUGTD-UHFFFAOYSA-N 0 0 413.365 2.443 20 5 HEBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)Nc1ccccc1F ZINC000769668949 1078508653 /nfs/dbraw/zinc/50/86/53/1078508653.db2.gz MMIZWIVEIBAOQF-UHFFFAOYSA-N 0 0 415.333 2.183 20 5 HEBDRN CC(=O)Nc1nc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cs1 ZINC000769670239 1078510152 /nfs/dbraw/zinc/51/01/52/1078510152.db2.gz SYXZORSFEJVWIA-UHFFFAOYSA-N 0 0 418.387 2.020 20 5 HEBDRN C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000769674730 1078515665 /nfs/dbraw/zinc/51/56/65/1078515665.db2.gz ZVCLWUNKVPQXJV-VIFPVBQESA-N 0 0 400.347 2.427 20 5 HEBDRN C[C@@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)C1CCOCC1 ZINC000769694292 1078522935 /nfs/dbraw/zinc/52/29/35/1078522935.db2.gz NWKKBHFVRQOURU-LBPRGKRZSA-N 0 0 424.431 2.275 20 5 HEBDRN C[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)C1CCOCC1 ZINC000769694288 1078522946 /nfs/dbraw/zinc/52/29/46/1078522946.db2.gz NWKKBHFVRQOURU-GFCCVEGCSA-N 0 0 424.431 2.275 20 5 HEBDRN COc1cc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc(OC)c1 ZINC000769714836 1078533581 /nfs/dbraw/zinc/53/35/81/1078533581.db2.gz VUQRLUUFLLUVJH-AWEZNQCLSA-N 0 0 400.435 2.199 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)cc1SC ZINC000769721273 1078535669 /nfs/dbraw/zinc/53/56/69/1078535669.db2.gz QPWDMUWSRSATDY-NSHDSACASA-N 0 0 417.509 2.197 20 5 HEBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cn(CC(=O)C(C)(C)C)nn2)cccc1[N+](=O)[O-] ZINC000745518914 1078537848 /nfs/dbraw/zinc/53/78/48/1078537848.db2.gz QCNJUFNXZCLXQB-LBPRGKRZSA-N 0 0 417.422 2.294 20 5 HEBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cn(Cc3ccccn3)nn2)cccc1[N+](=O)[O-] ZINC000745579692 1078551293 /nfs/dbraw/zinc/55/12/93/1078551293.db2.gz YBLOKSSRQAUPMN-ZDUSSCGKSA-N 0 0 410.390 2.122 20 5 HEBDRN CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000745569763 1078548783 /nfs/dbraw/zinc/54/87/83/1078548783.db2.gz ZTEZDDQXOBVEEM-UHFFFAOYSA-N 0 0 419.356 2.144 20 5 HEBDRN COC(=O)C1CCN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000745569251 1078548800 /nfs/dbraw/zinc/54/88/00/1078548800.db2.gz WOAYAROGGKAFGM-UHFFFAOYSA-N 0 0 418.324 2.182 20 5 HEBDRN COc1cccc(CN(C)C(=O)COC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000745619233 1078560983 /nfs/dbraw/zinc/56/09/83/1078560983.db2.gz VXUGJKNFEFTDHM-UHFFFAOYSA-N 0 0 401.419 2.241 20 5 HEBDRN 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C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000766727530 1079305120 /nfs/dbraw/zinc/30/51/20/1079305120.db2.gz WBFCJCHBWBLYCW-APPDUMDISA-N 0 0 410.423 2.379 20 5 HEBDRN C[C@H](c1nccs1)N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000766753674 1079332529 /nfs/dbraw/zinc/33/25/29/1079332529.db2.gz ZSCIWOLMCRJKEH-CXAGYDPISA-N 0 0 415.475 2.450 20 5 HEBDRN O=C(Nc1ccc(F)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766749153 1079335977 /nfs/dbraw/zinc/33/59/77/1079335977.db2.gz CQTHRBXRRXOHFF-OAHLLOKOSA-N 0 0 408.411 2.311 20 5 HEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766760556 1079341126 /nfs/dbraw/zinc/34/11/26/1079341126.db2.gz CRKAELGVRGRSND-UHFFFAOYSA-N 0 0 412.358 2.129 20 5 HEBDRN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 ZINC000771441390 1079346161 /nfs/dbraw/zinc/34/61/61/1079346161.db2.gz DNZLPIMCAFFCFE-LLVKDONJSA-N 0 0 416.829 2.429 20 5 HEBDRN CC(C)OC(=O)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1[N+](=O)[O-] ZINC000766764529 1079346561 /nfs/dbraw/zinc/34/65/61/1079346561.db2.gz OBOHVOMHLOIEJD-LBPRGKRZSA-N 0 0 405.367 2.049 20 5 HEBDRN COC(=O)C(C(=O)OC)c1cc(N[C@@H]2CCc3ccccc3[C@H]2O)ccc1[N+](=O)[O-] ZINC001169625754 1079348594 /nfs/dbraw/zinc/34/85/94/1079348594.db2.gz DEUHKIPTOBQYEX-VQIMIIECSA-N 0 0 414.414 2.485 20 5 HEBDRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771504202 1079356871 /nfs/dbraw/zinc/35/68/71/1079356871.db2.gz UPBKZHNPUUKUJM-UHFFFAOYSA-N 0 0 413.459 2.362 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3cnn(C)c3C3CC3)cc2[N+](=O)[O-])CC1 ZINC000771476052 1079352547 /nfs/dbraw/zinc/35/25/47/1079352547.db2.gz LGPZDIDQXJFVLJ-UHFFFAOYSA-N 0 0 412.450 2.127 20 5 HEBDRN COc1cccc(C[C@@H](C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)n2nnnc2C)c1 ZINC000771484545 1079355470 /nfs/dbraw/zinc/35/54/70/1079355470.db2.gz WFYQYDVMQBUDJE-KRWDZBQOSA-N 0 0 401.354 2.427 20 5 HEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000771485774 1079355538 /nfs/dbraw/zinc/35/55/38/1079355538.db2.gz DEJFMWNNSIEAQL-UHFFFAOYSA-N 0 0 409.395 2.135 20 5 HEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771498265 1079359334 /nfs/dbraw/zinc/35/93/34/1079359334.db2.gz GOFNQXYNMHRWLM-NSHDSACASA-N 0 0 407.452 2.289 20 5 HEBDRN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCN(CCc2ccncc2)CC1 ZINC001169679285 1079365311 /nfs/dbraw/zinc/36/53/11/1079365311.db2.gz RLXSDUZICFGFRK-UHFFFAOYSA-N 0 0 412.446 2.152 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000804335171 1079369212 /nfs/dbraw/zinc/36/92/12/1079369212.db2.gz SURRTKXQTKUQMY-UHFFFAOYSA-N 0 0 406.351 2.356 20 5 HEBDRN O=C(NCc1nc(COc2ccccc2)n[nH]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000771575443 1079378009 /nfs/dbraw/zinc/37/80/09/1079378009.db2.gz GVUBQKLBQKXJOH-QGZVFWFLSA-N 0 0 422.401 2.101 20 5 HEBDRN 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CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)c1ccco1 ZINC000743654784 1077088469 /nfs/dbraw/zinc/08/84/69/1077088469.db2.gz OYITYSFIUIZIMN-KXBFYZLASA-N 0 0 421.475 2.063 20 5 HEBDRN CSC(C)(C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000743793730 1077131229 /nfs/dbraw/zinc/13/12/29/1077131229.db2.gz JRNPMKPMXALKBU-CQSZACIVSA-N 0 0 401.510 2.006 20 5 HEBDRN CSC(C)(C)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000743793750 1077131299 /nfs/dbraw/zinc/13/12/99/1077131299.db2.gz LFJKFEKSPNDKNV-HNNXBMFYSA-N 0 0 415.537 2.396 20 5 HEBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743897125 1077209260 /nfs/dbraw/zinc/20/92/60/1077209260.db2.gz MVEPWRFWOWRHJG-UHFFFAOYSA-N 0 0 414.487 2.445 20 5 HEBDRN CCc1ccc(N2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000743991659 1077283140 /nfs/dbraw/zinc/28/31/40/1077283140.db2.gz NVWIXCXXEKVDAL-UHFFFAOYSA-N 0 0 412.446 2.453 20 5 HEBDRN CCOC(=O)c1cnn(CCOC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1N ZINC000744110185 1077319072 /nfs/dbraw/zinc/31/90/72/1077319072.db2.gz GUKJMIHISPFZGZ-UHFFFAOYSA-N 0 0 416.312 2.426 20 5 HEBDRN CCC(=O)Nc1cccc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000744149142 1077331467 /nfs/dbraw/zinc/33/14/67/1077331467.db2.gz XZMVXQSBMANOIG-UHFFFAOYSA-N 0 0 400.391 2.311 20 5 HEBDRN Cc1c(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000744149171 1077331527 /nfs/dbraw/zinc/33/15/27/1077331527.db2.gz YPVVRIKWDGWTGH-UHFFFAOYSA-N 0 0 424.417 2.160 20 5 HEBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)/C=C\c3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000744277903 1077361437 /nfs/dbraw/zinc/36/14/37/1077361437.db2.gz WXNHGUKEMIZULZ-DJWKRKHSSA-N 0 0 421.500 2.422 20 5 HEBDRN O=C(COC(=O)[C@H](c1ccccc1F)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000744364256 1077372219 /nfs/dbraw/zinc/37/22/19/1077372219.db2.gz SJXFTQOJZSSVAW-IBGZPJMESA-N 0 0 417.393 2.289 20 5 HEBDRN CC(C)CO[C@H](C)c1noc(CN(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 ZINC000744439270 1077394414 /nfs/dbraw/zinc/39/44/14/1077394414.db2.gz INITWZZWJLWNPQ-GFCCVEGCSA-N 0 0 417.422 2.397 20 5 HEBDRN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)cc([N+](=O)[O-])c1 ZINC000744489435 1077414779 /nfs/dbraw/zinc/41/47/79/1077414779.db2.gz JADDJOXAFSYGBC-UHFFFAOYSA-N 0 0 418.406 2.208 20 5 HEBDRN Cc1cc(=O)c(C(=O)OCC(=O)OCc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000744509995 1077427281 /nfs/dbraw/zinc/42/72/81/1077427281.db2.gz ZOYMLSJUHPXBEW-UHFFFAOYSA-N 0 0 423.381 2.349 20 5 HEBDRN CCc1cnc(COC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)o1 ZINC000744514359 1077430948 /nfs/dbraw/zinc/43/09/48/1077430948.db2.gz GTTZYUHCLUSUNX-UHFFFAOYSA-N 0 0 402.407 2.171 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000744517676 1077435202 /nfs/dbraw/zinc/43/52/02/1077435202.db2.gz CYISAQUZMSXGPZ-AWEZNQCLSA-N 0 0 420.399 2.414 20 5 HEBDRN COc1ccc(OCCOC(=O)CCn2c3ccccc3n(C)c2=O)c([N+](=O)[O-])c1 ZINC000744535000 1077448285 /nfs/dbraw/zinc/44/82/85/1077448285.db2.gz VSHXPUPSCLNCMI-UHFFFAOYSA-N 0 0 415.402 2.269 20 5 HEBDRN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766320387 1077450290 /nfs/dbraw/zinc/45/02/90/1077450290.db2.gz RUPOYGAGAKAWOC-XJKSGUPXSA-N 0 0 403.460 2.335 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000744581762 1077495369 /nfs/dbraw/zinc/49/53/69/1077495369.db2.gz LCKNKYYWAZMLOO-UHFFFAOYSA-N 0 0 424.431 2.103 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)S1 ZINC000744609441 1077498804 /nfs/dbraw/zinc/49/88/04/1077498804.db2.gz XTIJWBRPSCTIFI-OAHLLOKOSA-N 0 0 417.535 2.447 20 5 HEBDRN CNC(=O)Cn1ccc2ccc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cc21 ZINC000744610752 1077501797 /nfs/dbraw/zinc/50/17/97/1077501797.db2.gz HEBDUXXZSPQRPL-UHFFFAOYSA-N 0 0 410.386 2.126 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000744605394 1077513974 /nfs/dbraw/zinc/51/39/74/1077513974.db2.gz TVPSCQOXHXEXDH-CYBMUJFWSA-N 0 0 414.491 2.244 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000744627927 1077524578 /nfs/dbraw/zinc/52/45/78/1077524578.db2.gz YDICSAIJLUHRNW-INIZCTEOSA-N 0 0 407.423 2.396 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744663817 1077531526 /nfs/dbraw/zinc/53/15/26/1077531526.db2.gz OWCRDFRRVAWJFJ-AWEZNQCLSA-N 0 0 410.333 2.132 20 5 HEBDRN CCOCCCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744667712 1077534314 /nfs/dbraw/zinc/53/43/14/1077534314.db2.gz XYJUYHJIJGXKNT-MRXNPFEDSA-N 0 0 400.453 2.108 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000744651866 1077539013 /nfs/dbraw/zinc/53/90/13/1077539013.db2.gz OPDCSEMGFFZTEO-LLVKDONJSA-N 0 0 417.447 2.300 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000744651877 1077539038 /nfs/dbraw/zinc/53/90/38/1077539038.db2.gz PALUSIWHKAFOSG-SNVBAGLBSA-N 0 0 412.805 2.483 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C(=O)N[C@H]1CCOc2ccccc21)C(C)C ZINC000744652017 1077539066 /nfs/dbraw/zinc/53/90/66/1077539066.db2.gz SOVVUCRUJROLEZ-KXBFYZLASA-N 0 0 416.434 2.308 20 5 HEBDRN C[C@H](OC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744719595 1077554547 /nfs/dbraw/zinc/55/45/47/1077554547.db2.gz OEXMRSQZUNYTMQ-JTQLQIEISA-N 0 0 416.781 2.408 20 5 HEBDRN O=C(COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccnn1C1CCCC1 ZINC000744745354 1077565884 /nfs/dbraw/zinc/56/58/84/1077565884.db2.gz UJXCZRJSUVBVFJ-UHFFFAOYSA-N 0 0 412.406 2.438 20 5 HEBDRN Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000744767550 1077576345 /nfs/dbraw/zinc/57/63/45/1077576345.db2.gz SOCFITIECMZEFH-UHFFFAOYSA-N 0 0 405.367 2.330 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744773700 1077578209 /nfs/dbraw/zinc/57/82/09/1077578209.db2.gz KKMSVEUCWLJVJX-SMDDNHRTSA-N 0 0 424.435 2.063 20 5 HEBDRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744817755 1077589228 /nfs/dbraw/zinc/58/92/28/1077589228.db2.gz LFNZAJVCNYPFEU-IUODEOHRSA-N 0 0 407.423 2.265 20 5 HEBDRN Cc1nn(C)c(C(=O)OCC(=O)Nc2ccnn2CC2CCCCC2)c1[N+](=O)[O-] ZINC000744856773 1077624574 /nfs/dbraw/zinc/62/45/74/1077624574.db2.gz ZOQXMORDKAXQPV-UHFFFAOYSA-N 0 0 404.427 2.209 20 5 HEBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000744870334 1077630021 /nfs/dbraw/zinc/63/00/21/1077630021.db2.gz VKNDVKUBAXRBJL-ZBEGNZNMSA-N 0 0 422.825 2.488 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)n(C)n1 ZINC000744914659 1077664358 /nfs/dbraw/zinc/66/43/58/1077664358.db2.gz DWUBUQUSNOQSGQ-CYBMUJFWSA-N 0 0 423.223 2.362 20 5 HEBDRN COc1ccc(CC(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)cc1[N+](=O)[O-] ZINC000744944761 1077671257 /nfs/dbraw/zinc/67/12/57/1077671257.db2.gz PTQRQTWMGVKJOU-UHFFFAOYSA-N 0 0 404.423 2.359 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1=O ZINC000744945197 1077671630 /nfs/dbraw/zinc/67/16/30/1077671630.db2.gz BRGGXTOIDSXJDI-CYBMUJFWSA-N 0 0 419.415 2.296 20 5 HEBDRN CCCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000744972906 1077687339 /nfs/dbraw/zinc/68/73/39/1077687339.db2.gz GVVYEDDLXSPMPT-IUODEOHRSA-N 0 0 409.464 2.475 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cn(C)c3nc(C)ccc3c2=O)c([N+](=O)[O-])c1 ZINC000745037014 1077705399 /nfs/dbraw/zinc/70/53/99/1077705399.db2.gz PIMIBTWVYYBZRK-UHFFFAOYSA-N 0 0 413.386 2.395 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(C)CC1 ZINC000745030115 1077711000 /nfs/dbraw/zinc/71/10/00/1077711000.db2.gz SZOMFQHATBKUSJ-KBPBESRZSA-N 0 0 423.491 2.451 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCCCC1 ZINC000745030434 1077711116 /nfs/dbraw/zinc/71/11/16/1077711116.db2.gz VXEHHNBDTLZOAB-JSGCOSHPSA-N 0 0 407.423 2.173 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC1CCCC1 ZINC000745030399 1077711144 /nfs/dbraw/zinc/71/11/44/1077711144.db2.gz VGXPSGNDHPHLCR-YPMHNXCESA-N 0 0 409.464 2.251 20 5 HEBDRN Cn1cc(N2CCC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)cn1 ZINC000745073465 1077719982 /nfs/dbraw/zinc/71/99/82/1077719982.db2.gz WYUAUDLCHZECFX-AWEZNQCLSA-N 0 0 423.223 2.443 20 5 HEBDRN Nc1ccccc1-n1ccc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000745060689 1077722674 /nfs/dbraw/zinc/72/26/74/1077722674.db2.gz WICYBHZMNNOHFI-UHFFFAOYSA-N 0 0 407.386 2.109 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745277167 1077801290 /nfs/dbraw/zinc/80/12/90/1077801290.db2.gz SAIPIURABXTCEE-KPZWWZAWSA-N 0 0 400.435 2.472 20 5 HEBDRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)Cc3cccc([N+](=O)[O-])c3)n12 ZINC000745333555 1077805209 /nfs/dbraw/zinc/80/52/09/1077805209.db2.gz OTTXCKPZJZBHFS-UHFFFAOYSA-N 0 0 407.386 2.084 20 5 HEBDRN COc1ccccc1Nc1nc(N)nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000745335579 1077805616 /nfs/dbraw/zinc/80/56/16/1077805616.db2.gz SGYDMWSPFIOITM-UHFFFAOYSA-N 0 0 410.390 2.400 20 5 HEBDRN COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000745340340 1077810220 /nfs/dbraw/zinc/81/02/20/1077810220.db2.gz DMIQCIJPUFWPTM-UHFFFAOYSA-N 0 0 413.430 2.417 20 5 HEBDRN CNC(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000745370278 1077813101 /nfs/dbraw/zinc/81/31/01/1077813101.db2.gz RKRLWAXLPIRCFP-LLVKDONJSA-N 0 0 401.375 2.147 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)C)CC1 ZINC000745386252 1077816129 /nfs/dbraw/zinc/81/61/29/1077816129.db2.gz QKUYKZFXPUUKLI-QGZVFWFLSA-N 0 0 406.435 2.496 20 5 HEBDRN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000745391403 1077821452 /nfs/dbraw/zinc/82/14/52/1077821452.db2.gz NKGFUKXUPATXPC-UHFFFAOYSA-N 0 0 408.388 2.477 20 5 HEBDRN Cc1c(COC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000745432999 1077824658 /nfs/dbraw/zinc/82/46/58/1077824658.db2.gz GNNSNJRDEGOTIO-UHFFFAOYSA-N 0 0 420.443 2.122 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)cc([N+](=O)[O-])c1F ZINC000771783063 1079504086 /nfs/dbraw/zinc/50/40/86/1079504086.db2.gz CJHWKNDVDWDRAH-ZDUSSCGKSA-N 0 0 410.427 2.202 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000771785211 1079505077 /nfs/dbraw/zinc/50/50/77/1079505077.db2.gz LDFKYCADNYCAAP-AWEZNQCLSA-N 0 0 424.475 2.356 20 5 HEBDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804343447 1079545262 /nfs/dbraw/zinc/54/52/62/1079545262.db2.gz MMMTWKKPJSCENC-UHFFFAOYSA-N 0 0 409.446 2.314 20 5 HEBDRN Cc1ccc(NC(=O)c2nnc(COC(=O)c3c([N+](=O)[O-])cnn3C)s2)cc1 ZINC000766965020 1079560641 /nfs/dbraw/zinc/56/06/41/1079560641.db2.gz WDEPZDPJPOATOQ-UHFFFAOYSA-N 0 0 402.392 2.098 20 5 HEBDRN COC(=O)c1ccccc1CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000771853212 1079566289 /nfs/dbraw/zinc/56/62/89/1079566289.db2.gz QHMZCHLNXGMLHM-UHFFFAOYSA-N 0 0 407.400 2.184 20 5 HEBDRN CS(=O)(=O)c1ccc(C(=O)OC[C@H]2CN(c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000771852765 1079566994 /nfs/dbraw/zinc/56/69/94/1079566994.db2.gz KWWCGMCKJHVXLM-CQSZACIVSA-N 0 0 420.399 2.181 20 5 HEBDRN Cc1cccnc1COC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 ZINC000771855560 1079567148 /nfs/dbraw/zinc/56/71/48/1079567148.db2.gz VTCLHKQYLHQWTP-UHFFFAOYSA-N 0 0 422.463 2.140 20 5 HEBDRN Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C1CCOCC1 ZINC000767004959 1079583581 /nfs/dbraw/zinc/58/35/81/1079583581.db2.gz VTKXSCFOALHZRG-UHFFFAOYSA-N 0 0 406.370 2.386 20 5 HEBDRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000771988206 1079632850 /nfs/dbraw/zinc/63/28/50/1079632850.db2.gz HAKQVAUYKTYVHE-RYUDHWBXSA-N 0 0 400.457 2.056 20 5 HEBDRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000767075882 1079646920 /nfs/dbraw/zinc/64/69/20/1079646920.db2.gz HHZKEIPGMJJWIA-UHFFFAOYSA-N 0 0 422.387 2.402 20 5 HEBDRN COc1cc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC(C)=O ZINC000772007407 1079647542 /nfs/dbraw/zinc/64/75/42/1079647542.db2.gz JTVYMNZGPWMLKD-UHFFFAOYSA-N 0 0 414.370 2.275 20 5 HEBDRN COc1cc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC(C)=O ZINC000772009222 1079649483 /nfs/dbraw/zinc/64/94/83/1079649483.db2.gz QXPNGCRASBXJMD-UHFFFAOYSA-N 0 0 414.370 2.275 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000767102938 1079660073 /nfs/dbraw/zinc/66/00/73/1079660073.db2.gz PENKLKBPTXRODM-LJQANCHMSA-N 0 0 423.385 2.005 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc([N+](=O)[O-])c1 ZINC000772044084 1079666143 /nfs/dbraw/zinc/66/61/43/1079666143.db2.gz PSZHSLPOBVLLQO-HNNXBMFYSA-N 0 0 420.399 2.181 20 5 HEBDRN COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000772055143 1079675285 /nfs/dbraw/zinc/67/52/85/1079675285.db2.gz BXXCKNZOLOQDED-QGZVFWFLSA-N 0 0 404.423 2.177 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)n1 ZINC000772058698 1079677492 /nfs/dbraw/zinc/67/74/92/1079677492.db2.gz HKDLYDFRYCDDOG-UHFFFAOYSA-N 0 0 400.313 2.076 20 5 HEBDRN C[C@@H](NC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000772061202 1079703811 /nfs/dbraw/zinc/70/38/11/1079703811.db2.gz VFPZXOINFXARRY-SECBINFHSA-N 0 0 411.212 2.125 20 5 HEBDRN CC(C)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000772062897 1079705009 /nfs/dbraw/zinc/70/50/09/1079705009.db2.gz XYRZABZROIOXQY-CXAGYDPISA-N 0 0 402.407 2.150 20 5 HEBDRN COc1cccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000772141659 1079725018 /nfs/dbraw/zinc/72/50/18/1079725018.db2.gz VRFKPDUIPUPYBF-UHFFFAOYSA-N 0 0 406.464 2.302 20 5 HEBDRN O=C(Nc1cccc(F)n1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000767181960 1079738764 /nfs/dbraw/zinc/73/87/64/1079738764.db2.gz XYFFUGHIMGYMTD-LBPRGKRZSA-N 0 0 408.411 2.168 20 5 HEBDRN CCOc1cc(NC2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC)CC2)ncn1 ZINC000767219475 1079746449 /nfs/dbraw/zinc/74/64/49/1079746449.db2.gz BONWXVOMZKVFEH-UHFFFAOYSA-N 0 0 400.439 2.224 20 5 HEBDRN CCOc1cc(NC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)ncn1 ZINC000767225494 1079750188 /nfs/dbraw/zinc/75/01/88/1079750188.db2.gz DNYRSHCGMGARHX-UHFFFAOYSA-N 0 0 416.394 2.408 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000767239366 1079760102 /nfs/dbraw/zinc/76/01/02/1079760102.db2.gz KEEPLAPONXHBTF-UHFFFAOYSA-N 0 0 420.443 2.054 20 5 HEBDRN COC(=O)c1oc([C@H](C)OC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C ZINC000767272614 1079770292 /nfs/dbraw/zinc/77/02/92/1079770292.db2.gz RORNRRQGUVASOV-JTQLQIEISA-N 0 0 404.331 2.495 20 5 HEBDRN Cc1nc(C)c(C(=O)COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 ZINC000767274251 1079772838 /nfs/dbraw/zinc/77/28/38/1079772838.db2.gz XFBKIAKCPAYQOF-UHFFFAOYSA-N 0 0 403.347 2.314 20 5 HEBDRN COC(=O)CNC(=O)c1ccc(NCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])c1 ZINC000772232939 1079778755 /nfs/dbraw/zinc/77/87/55/1079778755.db2.gz SQGACCYVKJFQDN-UHFFFAOYSA-N 0 0 401.419 2.337 20 5 HEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000767314010 1079813329 /nfs/dbraw/zinc/81/33/29/1079813329.db2.gz CNUYDGLLQTYOEI-UHFFFAOYSA-N 0 0 419.438 2.117 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000772410174 1079845309 /nfs/dbraw/zinc/84/53/09/1079845309.db2.gz YMOMDELMASYPEF-RNCFNFMXSA-N 0 0 404.828 2.086 20 5 HEBDRN C[C@@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772371808 1079851285 /nfs/dbraw/zinc/85/12/85/1079851285.db2.gz BEOQMYZWOWQCIL-CYBMUJFWSA-N 0 0 400.391 2.070 20 5 HEBDRN C[C@@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772372952 1079851795 /nfs/dbraw/zinc/85/17/95/1079851795.db2.gz GZKZAUGKMKYDKY-CYBMUJFWSA-N 0 0 400.391 2.070 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000767447075 1079855432 /nfs/dbraw/zinc/85/54/32/1079855432.db2.gz OXRZVYQJYAWANN-AWEZNQCLSA-N 0 0 407.379 2.415 20 5 HEBDRN COC(=O)c1cc(C(=O)OCc2cc(-c3cnn(C)c3C)no2)cc([N+](=O)[O-])c1 ZINC000767427628 1079858895 /nfs/dbraw/zinc/85/88/95/1079858895.db2.gz VPTSEQBBQREMCY-UHFFFAOYSA-N 0 0 400.347 2.435 20 5 HEBDRN Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc12 ZINC000746540678 1079882457 /nfs/dbraw/zinc/88/24/57/1079882457.db2.gz WJDRJDQGSPPQLO-UHFFFAOYSA-N 0 0 409.446 2.360 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000767520287 1079915752 /nfs/dbraw/zinc/91/57/52/1079915752.db2.gz AZUOXJNNJSKHFI-UHFFFAOYSA-N 0 0 424.431 2.049 20 5 HEBDRN CCOc1cc(NC2CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)ncn1 ZINC000767526121 1079919748 /nfs/dbraw/zinc/91/97/48/1079919748.db2.gz VVCKXIGCTDZFQO-UHFFFAOYSA-N 0 0 414.422 2.225 20 5 HEBDRN O=C(C1CC1)[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000772573393 1079932827 /nfs/dbraw/zinc/93/28/27/1079932827.db2.gz HJBSGXQPCVZIFE-CYBMUJFWSA-N 0 0 408.354 2.073 20 5 HEBDRN CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC000746547553 1079937092 /nfs/dbraw/zinc/93/70/92/1079937092.db2.gz GDIHUUXEABMENG-UHFFFAOYSA-N 0 0 400.410 2.303 20 5 HEBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000772571759 1079973095 /nfs/dbraw/zinc/97/30/95/1079973095.db2.gz KXPLEDRVMHOJJH-SFHVURJKSA-N 0 0 410.434 2.100 20 5 HEBDRN CC(=O)c1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000804357906 1079985076 /nfs/dbraw/zinc/98/50/76/1079985076.db2.gz NUBVUDMPIVJAAA-UHFFFAOYSA-N 0 0 414.443 2.069 20 5 HEBDRN COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C ZINC000772637726 1079996547 /nfs/dbraw/zinc/99/65/47/1079996547.db2.gz FQQCAPUEPKXMRA-UHFFFAOYSA-N 0 0 402.285 2.151 20 5 HEBDRN COC(=O)C=Cc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000767623298 1080014734 /nfs/dbraw/zinc/01/47/34/1080014734.db2.gz JQEWULUNKNTBQT-WTKPLQERSA-N 0 0 416.415 2.136 20 5 HEBDRN O=C(NCc1ncn(-c2ccccc2)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001129373691 1080018678 /nfs/dbraw/zinc/01/86/78/1080018678.db2.gz JJZNVTVBRQNRJX-UHFFFAOYSA-N 0 0 403.402 2.350 20 5 HEBDRN C[C@H]1OCC[C@H]1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000785519261 1080032071 /nfs/dbraw/zinc/03/20/71/1080032071.db2.gz BHWSBIHRKYOQPE-RDDDGLTNSA-N 0 0 413.189 2.085 20 5 HEBDRN COc1cc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnc1Cl ZINC000767706721 1080057892 /nfs/dbraw/zinc/05/78/92/1080057892.db2.gz PLFMRAKSSRGHHM-UHFFFAOYSA-N 0 0 412.855 2.163 20 5 HEBDRN CC(=O)[C@H]1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)=NN1c1ccccc1 ZINC000785589368 1080062953 /nfs/dbraw/zinc/06/29/53/1080062953.db2.gz DKQJXQNFCRFVHA-GOSISDBHSA-N 0 0 410.434 2.179 20 5 HEBDRN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785591829 1080065799 /nfs/dbraw/zinc/06/57/99/1080065799.db2.gz JOUIUPZNTJJFTH-UHFFFAOYSA-N 0 0 420.419 2.326 20 5 HEBDRN O=C(OCC(F)(F)F)N1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785594361 1080066612 /nfs/dbraw/zinc/06/66/12/1080066612.db2.gz GAWPFRGYFNVEFL-GFCCVEGCSA-N 0 0 419.360 2.118 20 5 HEBDRN Cc1c(C(=O)N(CC(F)F)C2CCS(=O)(=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000785564337 1080078962 /nfs/dbraw/zinc/07/89/62/1080078962.db2.gz ANLGAYGDJGUGJM-UHFFFAOYSA-N 0 0 421.378 2.096 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000767819450 1080126894 /nfs/dbraw/zinc/12/68/94/1080126894.db2.gz VXVOTDOPJKCSDJ-GOEBONIOSA-N 0 0 412.489 2.478 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c1 ZINC000767855207 1080176544 /nfs/dbraw/zinc/17/65/44/1080176544.db2.gz VGMOIHRZQJHRMG-NEPJUHHUSA-N 0 0 423.310 2.252 20 5 HEBDRN C[C@@H]1CC[C@H](C)N1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736134 1080208512 /nfs/dbraw/zinc/20/85/12/1080208512.db2.gz PGAUVRMNNWNEFW-BETUJISGSA-N 0 0 407.423 2.111 20 5 HEBDRN OC[C@H]1O[C@H](O)[C@H](Nc2c3ccccc3cc3c4ccccc4ccc32)[C@@H](O)[C@@H]1O ZINC001169977222 1080225534 /nfs/dbraw/zinc/22/55/34/1080225534.db2.gz NATZDFNMVAMRCG-LBRNTXKHSA-N 0 0 405.450 2.358 20 5 HEBDRN Cc1nn(CN2CCNC(=O)[C@@H]2c2ccccc2Br)c(C)c1[N+](=O)[O-] ZINC000767986009 1080257549 /nfs/dbraw/zinc/25/75/49/1080257549.db2.gz AMXQMZRDNNAALK-HNNXBMFYSA-N 0 0 408.256 2.301 20 5 HEBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cc(C)n(C)n1 ZINC000767993420 1080263022 /nfs/dbraw/zinc/26/30/22/1080263022.db2.gz FSTCNICBKONXTD-MRXNPFEDSA-N 0 0 406.464 2.232 20 5 HEBDRN C[C@](O)(CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000768005062 1080271358 /nfs/dbraw/zinc/27/13/58/1080271358.db2.gz HLJUUSGSOVGLIJ-NRFANRHFSA-N 0 0 411.414 2.276 20 5 HEBDRN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785862682 1080287437 /nfs/dbraw/zinc/28/74/37/1080287437.db2.gz BRZDPOAWVMSKNM-UHFFFAOYSA-N 0 0 414.466 2.205 20 5 HEBDRN CN(CC(=O)OCCN1CCN(Cc2ccsc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000772673132 1080292217 /nfs/dbraw/zinc/29/22/17/1080292217.db2.gz YDICGXNIVWTQFE-UHFFFAOYSA-N 0 0 418.519 2.454 20 5 HEBDRN O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1COc2ccccc2O1 ZINC000785941674 1080308288 /nfs/dbraw/zinc/30/82/88/1080308288.db2.gz PVURIZMZWDASGF-AWEZNQCLSA-N 0 0 420.805 2.290 20 5 HEBDRN C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncnc2[nH]cnc21 ZINC000785941117 1080308870 /nfs/dbraw/zinc/30/88/70/1080308870.db2.gz LYNHNLDRZFCZPD-QMMMGPOBSA-N 0 0 404.770 2.027 20 5 HEBDRN COc1cccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000768044784 1080309549 /nfs/dbraw/zinc/30/95/49/1080309549.db2.gz PHMNGNOMJXJBOO-CYBMUJFWSA-N 0 0 408.794 2.491 20 5 HEBDRN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000785948475 1080311488 /nfs/dbraw/zinc/31/14/88/1080311488.db2.gz JOHIVXKZEYETIT-CYBMUJFWSA-N 0 0 412.826 2.136 20 5 HEBDRN O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)NC(=O)NCc1cccs1 ZINC000785950525 1080312826 /nfs/dbraw/zinc/31/28/26/1080312826.db2.gz KVLGXTWHGITZTA-UHFFFAOYSA-N 0 0 411.823 2.421 20 5 HEBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000768106028 1080342565 /nfs/dbraw/zinc/34/25/65/1080342565.db2.gz PSOLNURNEIXWQK-UHFFFAOYSA-N 0 0 414.809 2.143 20 5 HEBDRN CS(=O)(=O)c1cccnc1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000785997401 1080356443 /nfs/dbraw/zinc/35/64/43/1080356443.db2.gz MVDNZISGZWNLTD-UHFFFAOYSA-N 0 0 414.237 2.086 20 5 HEBDRN CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000786003657 1080363755 /nfs/dbraw/zinc/36/37/55/1080363755.db2.gz NLVWVQLBDKRIKW-MRXNPFEDSA-N 0 0 414.256 2.368 20 5 HEBDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786132472 1080453685 /nfs/dbraw/zinc/45/36/85/1080453685.db2.gz 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CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000768524904 1080610761 /nfs/dbraw/zinc/61/07/61/1080610761.db2.gz QCQYJCCDOMEEBH-UHFFFAOYSA-N 0 0 418.475 2.410 20 5 HEBDRN COC(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)c1 ZINC000768526732 1080612154 /nfs/dbraw/zinc/61/21/54/1080612154.db2.gz HOUGXEMRBWRRQR-UHFFFAOYSA-N 0 0 423.447 2.218 20 5 HEBDRN CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768540914 1080618501 /nfs/dbraw/zinc/61/85/01/1080618501.db2.gz HDUOXGKIRLQCJB-UHFFFAOYSA-N 0 0 424.910 2.479 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1SC ZINC000786483653 1080625793 /nfs/dbraw/zinc/62/57/93/1080625793.db2.gz ZKNSWPRPDCXLHY-LLVKDONJSA-N 0 0 418.493 2.154 20 5 HEBDRN O=[N+]([O-])c1cc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1Cl ZINC000768555953 1080627120 /nfs/dbraw/zinc/62/71/20/1080627120.db2.gz VKFYJDHPNAUIOM-UHFFFAOYSA-N 0 0 418.885 2.197 20 5 HEBDRN COc1ccccc1-n1c(C)nnc1SCC(=O)OCCn1cc([N+](=O)[O-])cn1 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KHGRYZVERMVBRD-UHFFFAOYSA-N 0 0 417.300 2.038 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)S1 ZINC000745939729 1078704781 /nfs/dbraw/zinc/70/47/81/1078704781.db2.gz RKOATEFSUJWSTR-SNVBAGLBSA-N 0 0 404.901 2.046 20 5 HEBDRN COC(=O)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OC)cc1OC ZINC000770072191 1078709064 /nfs/dbraw/zinc/70/90/64/1078709064.db2.gz CQRYJTDBYWFEBE-SFHVURJKSA-N 0 0 422.365 2.160 20 5 HEBDRN O=C(OC[C@@H]1CCCS1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000745959273 1078719281 /nfs/dbraw/zinc/71/92/81/1078719281.db2.gz BNLIODBJGYBKFB-ZFWWWQNUSA-N 0 0 400.478 2.187 20 5 HEBDRN CCNc1ncc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000770095211 1078721599 /nfs/dbraw/zinc/72/15/99/1078721599.db2.gz IPVATVYQAJRGIA-UHFFFAOYSA-N 0 0 422.419 2.440 20 5 HEBDRN Cc1cc(=O)c(C(=O)NC[C@](C)(O)c2ccsc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000746010616 1078730705 /nfs/dbraw/zinc/73/07/05/1078730705.db2.gz CMRINFGQCXFBCE-IBGZPJMESA-N 0 0 414.443 2.148 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCc3ccccc32)cc1OC ZINC000746009975 1078731113 /nfs/dbraw/zinc/73/11/13/1078731113.db2.gz VSWLBQYNMJSTMY-UHFFFAOYSA-N 0 0 415.446 2.421 20 5 HEBDRN CC[C@](C)(CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1OCCO1 ZINC000746000971 1078737249 /nfs/dbraw/zinc/73/72/49/1078737249.db2.gz QUHGWTWYUNXFGW-LJQANCHMSA-N 0 0 403.439 2.475 20 5 HEBDRN COC1CCC(OC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000770149874 1078747950 /nfs/dbraw/zinc/74/79/50/1078747950.db2.gz PWEWVNSWCJMKDV-UHFFFAOYSA-N 0 0 405.451 2.378 20 5 HEBDRN Cn1cc(N2CCC[C@H](OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2=O)cn1 ZINC000770158525 1078758038 /nfs/dbraw/zinc/75/80/38/1078758038.db2.gz MRXNCTUUGOOVSF-AWEZNQCLSA-N 0 0 423.223 2.443 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000746146234 1078806227 /nfs/dbraw/zinc/80/62/27/1078806227.db2.gz AZUKVGHEPLISAC-CYBMUJFWSA-N 0 0 406.399 2.060 20 5 HEBDRN O=c1[nH]c(=O)c2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c4ncccc34)ccc2[nH]1 ZINC000770282218 1078806779 /nfs/dbraw/zinc/80/67/79/1078806779.db2.gz JUCHGLWJXDQMHD-UHFFFAOYSA-N 0 0 414.355 2.265 20 5 HEBDRN O=C(Cn1c(=O)scc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746153669 1078807804 /nfs/dbraw/zinc/80/78/04/1078807804.db2.gz JNAOLNGKVXRYFP-UHFFFAOYSA-N 0 0 416.381 2.186 20 5 HEBDRN Cc1nccn1-c1ncccc1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000770299297 1078822477 /nfs/dbraw/zinc/82/24/77/1078822477.db2.gz LHRYFWHQUXGCEA-UHFFFAOYSA-N 0 0 406.406 2.360 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000746312392 1078853841 /nfs/dbraw/zinc/85/38/41/1078853841.db2.gz NKLCLLGCTAOZMD-UHFFFAOYSA-N 0 0 407.320 2.030 20 5 HEBDRN CCCn1c(CO)nnc1Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000770476539 1078875067 /nfs/dbraw/zinc/87/50/67/1078875067.db2.gz GAMDTVXMGARRFA-UHFFFAOYSA-N 0 0 408.408 2.236 20 5 HEBDRN Nn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1cccc(Br)c1 ZINC000746389790 1078891554 /nfs/dbraw/zinc/89/15/54/1078891554.db2.gz XGPWFSQBJHGFHJ-UHFFFAOYSA-N 0 0 410.257 2.318 20 5 HEBDRN Cc1c(CNC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000804266392 1078912957 /nfs/dbraw/zinc/91/29/57/1078912957.db2.gz PBCUVMJANQDEOF-OAHLLOKOSA-N 0 0 420.466 2.035 20 5 HEBDRN O=C(CN1CC[C@@]2(C1)OCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000770686969 1078936253 /nfs/dbraw/zinc/93/62/53/1078936253.db2.gz AWYGLMRCDFZZCG-QHCPKHFHSA-N 0 0 422.485 2.375 20 5 HEBDRN Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n(C2CCOCC2)n1 ZINC000746436302 1078958824 /nfs/dbraw/zinc/95/88/24/1078958824.db2.gz MHSFHLPIBPVYDR-UHFFFAOYSA-N 0 0 421.841 2.360 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000770769545 1078987758 /nfs/dbraw/zinc/98/77/58/1078987758.db2.gz ZVSOHEHSJSFVAT-UHFFFAOYSA-N 0 0 404.427 2.137 20 5 HEBDRN Cc1nn(C)c(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000766446482 1078994582 /nfs/dbraw/zinc/99/45/82/1078994582.db2.gz YCFGPEPSBPWNJP-UHFFFAOYSA-N 0 0 408.358 2.421 20 5 HEBDRN CC(C)NC(=O)c1ccc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 ZINC000746460786 1079012988 /nfs/dbraw/zinc/01/29/88/1079012988.db2.gz JHBMTGUPEUABIC-ZDUSSCGKSA-N 0 0 402.373 2.332 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc(N2CCOC2=O)cc1 ZINC000770792794 1079019248 /nfs/dbraw/zinc/01/92/48/1079019248.db2.gz QCMUMDOZCRIFDS-UHFFFAOYSA-N 0 0 410.390 2.427 20 5 HEBDRN CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000766483180 1079034157 /nfs/dbraw/zinc/03/41/57/1079034157.db2.gz DXIWDAHQKIAMBZ-UHFFFAOYSA-N 0 0 422.463 2.242 20 5 HEBDRN COC(=O)C(C(=O)OC)c1ncc(NCCCCc2ccccn2)cc1[N+](=O)[O-] ZINC001168795383 1079037351 /nfs/dbraw/zinc/03/73/51/1079037351.db2.gz OEUGAUGGDHZRSM-UHFFFAOYSA-N 0 0 402.407 2.249 20 5 HEBDRN CN(CCc1cnccn1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000770833819 1079052223 /nfs/dbraw/zinc/05/22/23/1079052223.db2.gz ZCFVCRVDRNKFGK-UHFFFAOYSA-N 0 0 412.187 2.304 20 5 HEBDRN O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000770889557 1079063832 /nfs/dbraw/zinc/06/38/32/1079063832.db2.gz OUYCIGRHMMLKIN-JTQLQIEISA-N 0 0 406.301 2.317 20 5 HEBDRN O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000770889559 1079063894 /nfs/dbraw/zinc/06/38/94/1079063894.db2.gz OUYCIGRHMMLKIN-SNVBAGLBSA-N 0 0 406.301 2.317 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)c2ncccc12 ZINC000766536498 1079071684 /nfs/dbraw/zinc/07/16/84/1079071684.db2.gz FZPFVTGGTZIHMQ-ZDUSSCGKSA-N 0 0 407.448 2.497 20 5 HEBDRN O=C(Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1)NCc1ccco1 ZINC000770958509 1079078560 /nfs/dbraw/zinc/07/85/60/1079078560.db2.gz DNUIAQUJJMJIOA-UHFFFAOYSA-N 0 0 401.335 2.123 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN2CCOc3cccc1c32 ZINC000770929287 1079084161 /nfs/dbraw/zinc/08/41/61/1079084161.db2.gz RXBPVHOZHRIZCS-UHFFFAOYSA-N 0 0 410.430 2.291 20 5 HEBDRN O=C(Cc1noc(CCc2ccco2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771084384 1079135984 /nfs/dbraw/zinc/13/59/84/1079135984.db2.gz DSMNCLIPUGXDMG-UHFFFAOYSA-N 0 0 411.418 2.247 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NC[C@@H](O)C(C)C)cc1 ZINC000771049647 1079138811 /nfs/dbraw/zinc/13/88/11/1079138811.db2.gz KJVABQWOOREEPK-QGZVFWFLSA-N 0 0 422.459 2.418 20 5 HEBDRN COC(=O)C[C@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCOC1 ZINC000771121912 1079141435 /nfs/dbraw/zinc/14/14/35/1079141435.db2.gz JSGDDEGVDCVOBV-MRXNPFEDSA-N 0 0 403.338 2.430 20 5 HEBDRN CC[C@@H]1CC[C@@H](c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)O1 ZINC000771088996 1079146199 /nfs/dbraw/zinc/14/61/99/1079146199.db2.gz SBXUFYFMSKAICX-SJORKVTESA-N 0 0 415.450 2.499 20 5 HEBDRN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000003575824 1079153286 /nfs/dbraw/zinc/15/32/86/1079153286.db2.gz VHLSFJDLNZTPGP-JTQLQIEISA-N 0 0 417.330 2.474 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(N(C)CC(F)F)CC1 ZINC000771162858 1079177794 /nfs/dbraw/zinc/17/77/94/1079177794.db2.gz JEUBGQXGBIPNAQ-UHFFFAOYSA-N 0 0 402.354 2.455 20 5 HEBDRN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C(C)(C)C1 ZINC000766616224 1079182186 /nfs/dbraw/zinc/18/21/86/1079182186.db2.gz GCUAUCRRWVMFNE-UHFFFAOYSA-N 0 0 403.220 2.366 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000771198709 1079200473 /nfs/dbraw/zinc/20/04/73/1079200473.db2.gz CLZUOXJPFAUGCF-MRVPVSSYSA-N 0 0 403.413 2.254 20 5 HEBDRN COc1cc(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000771244867 1079225478 /nfs/dbraw/zinc/22/54/78/1079225478.db2.gz WGSJPVDALPEZIW-UHFFFAOYSA-N 0 0 407.383 2.339 20 5 HEBDRN CS(=O)(=O)N1CCN(CCNc2nc3c(ccc4ccccc43)nc2Cl)CC1 ZINC001169338395 1079238536 /nfs/dbraw/zinc/23/85/36/1079238536.db2.gz QGUCBVUDOMXWHO-UHFFFAOYSA-N 0 0 419.938 2.426 20 5 HEBDRN O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001169415808 1079275907 /nfs/dbraw/zinc/27/59/07/1079275907.db2.gz QOZDSGCJJPPRDH-HIFRSBDPSA-N 0 0 401.257 2.389 20 5 HEBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000804324162 1079283552 /nfs/dbraw/zinc/28/35/52/1079283552.db2.gz YMKUPHAVKTUIHQ-UHFFFAOYSA-N 0 0 410.383 2.153 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC001169443164 1079293938 /nfs/dbraw/zinc/29/39/38/1079293938.db2.gz AEQKPTUREICWDK-QGZVFWFLSA-N 0 0 419.434 2.191 20 5 HEBDRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000766727850 1079320595 /nfs/dbraw/zinc/32/05/95/1079320595.db2.gz YIPBIJKJIWHOSR-PXAZEXFGSA-N 0 0 417.393 2.088 20 5 HEBDRN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000771400797 1079323668 /nfs/dbraw/zinc/32/36/68/1079323668.db2.gz ZRXPMEFVKUVHJN-ZJUUUORDSA-N 0 0 403.220 2.364 20 5 HEBDRN Cc1nc([N+](=O)[O-])c(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)n1C ZINC000771460977 1079334873 /nfs/dbraw/zinc/33/48/73/1079334873.db2.gz AHBQKFQXSIPDAD-UHFFFAOYSA-N 0 0 404.770 2.266 20 5 HEBDRN Cc1csc([C@@](O)(Cc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)C(F)(F)F)n1 ZINC000771463487 1079337166 /nfs/dbraw/zinc/33/71/66/1079337166.db2.gz LFJOAGVZOCAFSI-ZDUSSCGKSA-N 0 0 418.357 2.444 20 5 HEBDRN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000766761027 1079343153 /nfs/dbraw/zinc/34/31/53/1079343153.db2.gz HHAKRTSYPDQRPT-UHFFFAOYSA-N 0 0 417.487 2.491 20 5 HEBDRN C[C@@](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000771509748 1079365960 /nfs/dbraw/zinc/36/59/60/1079365960.db2.gz KXERANBKSKBZHY-INIZCTEOSA-N 0 0 405.823 2.383 20 5 HEBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771498263 1079359248 /nfs/dbraw/zinc/35/92/48/1079359248.db2.gz GOFNQXYNMHRWLM-LLVKDONJSA-N 0 0 407.452 2.289 20 5 HEBDRN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771501810 1079360909 /nfs/dbraw/zinc/36/09/09/1079360909.db2.gz IBBBADVGVLVAEJ-UHFFFAOYSA-N 0 0 415.406 2.337 20 5 HEBDRN C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000771501680 1079360981 /nfs/dbraw/zinc/36/09/81/1079360981.db2.gz GPPZTVWEOPZTQB-SECBINFHSA-N 0 0 421.460 2.462 20 5 HEBDRN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502470 1079361793 /nfs/dbraw/zinc/36/17/93/1079361793.db2.gz QOFVRNZWQGVIRH-UHFFFAOYSA-N 0 0 401.404 2.227 20 5 HEBDRN O=C(NC1CCCCC1)N1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771504397 1079364608 /nfs/dbraw/zinc/36/46/08/1079364608.db2.gz VKQZSPIXQGMSPT-UHFFFAOYSA-N 0 0 418.479 2.400 20 5 HEBDRN O=C(NCc1nc(COc2ccccc2)n[nH]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000771575440 1079377934 /nfs/dbraw/zinc/37/79/34/1079377934.db2.gz GVUBQKLBQKXJOH-KRWDZBQOSA-N 0 0 422.401 2.101 20 5 HEBDRN COc1cc(CCNc2ccc(C(C)=O)cc2S(N)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000804335400 1079384722 /nfs/dbraw/zinc/38/47/22/1079384722.db2.gz YQMTZGBVZWMMBV-UHFFFAOYSA-N 0 0 423.447 2.117 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585943 1079381984 /nfs/dbraw/zinc/38/19/84/1079381984.db2.gz PPEPQPAGQPTOBW-RYUDHWBXSA-N 0 0 411.459 2.196 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585944 1079382012 /nfs/dbraw/zinc/38/20/12/1079382012.db2.gz PPEPQPAGQPTOBW-VXGBXAGGSA-N 0 0 411.459 2.196 20 5 HEBDRN COC(=O)c1cc(OS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000766805165 1079390730 /nfs/dbraw/zinc/39/07/30/1079390730.db2.gz DMHCDYGXBBKXFI-UHFFFAOYSA-N 0 0 410.360 2.241 20 5 HEBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000766810817 1079399904 /nfs/dbraw/zinc/39/99/04/1079399904.db2.gz SHXBLHKLHKTWSZ-UHFFFAOYSA-N 0 0 424.910 2.333 20 5 HEBDRN Cc1ccc(N2CC[C@H](NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000766816644 1079408929 /nfs/dbraw/zinc/40/89/29/1079408929.db2.gz ISZMTGVBKYRILX-KRWDZBQOSA-N 0 0 403.460 2.171 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000771628143 1079411317 /nfs/dbraw/zinc/41/13/17/1079411317.db2.gz SXEKWSPTQQAFIG-CHWSQXEVSA-N 0 0 418.450 2.478 20 5 HEBDRN O=[N+]([O-])c1cnn(CCS(=O)(=O)Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000771592704 1079419575 /nfs/dbraw/zinc/41/95/75/1079419575.db2.gz WAALDVPQXMCOEI-UHFFFAOYSA-N 0 0 401.448 2.081 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)cc1Br ZINC000766840680 1079431380 /nfs/dbraw/zinc/43/13/80/1079431380.db2.gz PDWWSECESKEZCJ-CYBMUJFWSA-N 0 0 421.269 2.321 20 5 HEBDRN C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000771666703 1079435456 /nfs/dbraw/zinc/43/54/56/1079435456.db2.gz FJBHXWOELJDPMU-DYZYQPBXSA-N 0 0 407.423 2.163 20 5 HEBDRN Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000766851147 1079436411 /nfs/dbraw/zinc/43/64/11/1079436411.db2.gz JZQBGIXWZKWIDF-DZGCQCFKSA-N 0 0 414.871 2.259 20 5 HEBDRN CN1Cc2cc(OC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)ccc2C1=O ZINC000766853652 1079439716 /nfs/dbraw/zinc/43/97/16/1079439716.db2.gz AQXLAYBPILMXEH-UHFFFAOYSA-N 0 0 409.354 2.053 20 5 HEBDRN COC(=O)COc1c(C)cc(Nc2ncc(Br)[nH]c2=O)cc1[N+](=O)[O-] ZINC001169853435 1079448130 /nfs/dbraw/zinc/44/81/30/1079448130.db2.gz IDIHLASCEXZZSJ-UHFFFAOYSA-N 0 0 413.184 2.044 20 5 HEBDRN CON(C)C(=O)[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001169882667 1079457228 /nfs/dbraw/zinc/45/72/28/1079457228.db2.gz WEFLDFSZUWOMMR-MRVPVSSYSA-N 0 0 416.221 2.225 20 5 HEBDRN COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771729635 1079467779 /nfs/dbraw/zinc/46/77/79/1079467779.db2.gz BRWCJMJGHLHJQS-INIZCTEOSA-N 0 0 408.407 2.331 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc([N+](=O)[O-])c1F ZINC000771734844 1079471226 /nfs/dbraw/zinc/47/12/26/1079471226.db2.gz XLCVGMARWYVGBL-CYBMUJFWSA-N 0 0 424.454 2.141 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000766886798 1079479639 /nfs/dbraw/zinc/47/96/39/1079479639.db2.gz WMJQOEJIMUSONC-NSHDSACASA-N 0 0 405.366 2.298 20 5 HEBDRN O=C(NCc1nnc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737291224 1075895298 /nfs/dbraw/zinc/89/52/98/1075895298.db2.gz XCBSUTOTOJUPBV-UHFFFAOYSA-N 0 0 418.772 2.427 20 5 HEBDRN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000766228618 1075923524 /nfs/dbraw/zinc/92/35/24/1075923524.db2.gz HJELHAGKNUWXPZ-CYBMUJFWSA-N 0 0 415.402 2.102 20 5 HEBDRN C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000737726405 1075925106 /nfs/dbraw/zinc/92/51/06/1075925106.db2.gz QTYRPMQXXQKBCY-ZDUSSCGKSA-N 0 0 419.459 2.476 20 5 HEBDRN C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000737726404 1075925196 /nfs/dbraw/zinc/92/51/96/1075925196.db2.gz QTYRPMQXXQKBCY-CYBMUJFWSA-N 0 0 419.459 2.476 20 5 HEBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000771721152 1079490469 /nfs/dbraw/zinc/49/04/69/1079490469.db2.gz XTFWFVIZSKEFTC-XXFAHNHDSA-N 0 0 400.218 2.302 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(OS(=O)(=O)CC2CCC2)c([N+](=O)[O-])c1 ZINC000771726945 1079494410 /nfs/dbraw/zinc/49/44/10/1079494410.db2.gz WXPKSKITXPFCOI-UHFFFAOYSA-N 0 0 406.482 2.134 20 5 HEBDRN O=[N+]([O-])c1nn(CN2CCN(CC(F)(F)C(F)F)CC2)cc1Br ZINC000738234625 1075980137 /nfs/dbraw/zinc/98/01/37/1075980137.db2.gz RMNRSUUGSYZURZ-UHFFFAOYSA-N 0 0 404.162 2.029 20 5 HEBDRN COC(=O)Nc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000738392926 1075993751 /nfs/dbraw/zinc/99/37/51/1075993751.db2.gz PHVUOMUTIWVOHY-UHFFFAOYSA-N 0 0 409.420 2.303 20 5 HEBDRN C[C@H](OC(=O)c1ccnc(-n2cncn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738626272 1076010190 /nfs/dbraw/zinc/01/01/90/1076010190.db2.gz CCVLXBWLAMAISP-JTQLQIEISA-N 0 0 416.781 2.408 20 5 HEBDRN CC[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000738564528 1076012659 /nfs/dbraw/zinc/01/26/59/1076012659.db2.gz BKRTUPKRYMZXAQ-LBPRGKRZSA-N 0 0 411.436 2.420 20 5 HEBDRN Cc1ccc(C(=O)COC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000738673388 1076015033 /nfs/dbraw/zinc/01/50/33/1076015033.db2.gz GRMLJTDAZJDZQR-UHFFFAOYSA-N 0 0 420.443 2.258 20 5 HEBDRN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000738675069 1076015241 /nfs/dbraw/zinc/01/52/41/1076015241.db2.gz VZUTWGOSFITDII-CYBMUJFWSA-N 0 0 406.416 2.030 20 5 HEBDRN COC(=O)C1=NOC2(C1)CCN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000771781006 1079503112 /nfs/dbraw/zinc/50/31/12/1079503112.db2.gz SPVZWLLJTSLDAR-CYBMUJFWSA-N 0 0 404.423 2.014 20 5 HEBDRN C[C@@H](COc1ccccc1)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739159184 1076051004 /nfs/dbraw/zinc/05/10/04/1076051004.db2.gz HLRKIMMUMMKSIL-AWEZNQCLSA-N 0 0 408.432 2.226 20 5 HEBDRN Cc1c(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000739809942 1076077175 /nfs/dbraw/zinc/07/71/75/1076077175.db2.gz LJIHUOWGTQHUTC-GFCCVEGCSA-N 0 0 412.358 2.269 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000739898934 1076086007 /nfs/dbraw/zinc/08/60/07/1076086007.db2.gz SHNAPJHDANVTAQ-UHFFFAOYSA-N 0 0 414.484 2.490 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(F)(F)F)cc1Br ZINC000739971687 1076089255 /nfs/dbraw/zinc/08/92/55/1076089255.db2.gz HOTSFIAXHCUDHP-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)cc1Br ZINC000739978458 1076089818 /nfs/dbraw/zinc/08/98/18/1076089818.db2.gz UFFZKWHYDXDALO-JTQLQIEISA-N 0 0 419.175 2.309 20 5 HEBDRN Cc1cc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(N)c([N+](=O)[O-])c1 ZINC000740149626 1076106631 /nfs/dbraw/zinc/10/66/31/1076106631.db2.gz RBNPGOXNDAVXCI-CQSZACIVSA-N 0 0 407.810 2.373 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000740127165 1076125155 /nfs/dbraw/zinc/12/51/55/1076125155.db2.gz BFCBZBOOFJKFLC-UHFFFAOYSA-N 0 0 400.391 2.372 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccnc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000740339400 1076154852 /nfs/dbraw/zinc/15/48/52/1076154852.db2.gz JRSDMFSFYCLKBD-GFCCVEGCSA-N 0 0 411.374 2.368 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCOc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000740766581 1076237267 /nfs/dbraw/zinc/23/72/67/1076237267.db2.gz BUCLGGCFTSASSU-UHFFFAOYSA-N 0 0 400.343 2.037 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000740807419 1076254470 /nfs/dbraw/zinc/25/44/70/1076254470.db2.gz JKLDEYFGYPHRSH-UHFFFAOYSA-N 0 0 422.438 2.493 20 5 HEBDRN C[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740855555 1076268807 /nfs/dbraw/zinc/26/88/07/1076268807.db2.gz FOPGYYRCRKHDDN-GXTWGEPZSA-N 0 0 418.450 2.383 20 5 HEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740905724 1076298194 /nfs/dbraw/zinc/29/81/94/1076298194.db2.gz RLMJLEZZBAFTLE-UHFFFAOYSA-N 0 0 413.390 2.171 20 5 HEBDRN C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740928037 1076299183 /nfs/dbraw/zinc/29/91/83/1076299183.db2.gz BESCIDAOTMWQTA-CJNGLKHVSA-N 0 0 420.466 2.086 20 5 HEBDRN C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740928039 1076299221 /nfs/dbraw/zinc/29/92/21/1076299221.db2.gz BESCIDAOTMWQTA-XJKSGUPXSA-N 0 0 420.466 2.086 20 5 HEBDRN C[C@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)N1CCc2ccccc2C1 ZINC000740984783 1076318664 /nfs/dbraw/zinc/31/86/64/1076318664.db2.gz HQNRIOLTEZDZGF-OAHLLOKOSA-N 0 0 409.442 2.474 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](O)CCc1ccccc1 ZINC000741005580 1076325851 /nfs/dbraw/zinc/32/58/51/1076325851.db2.gz VHFFMHJSINOIHX-DYVFJYSZSA-N 0 0 402.403 2.467 20 5 HEBDRN C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000741031040 1076331489 /nfs/dbraw/zinc/33/14/89/1076331489.db2.gz ZRZCDWBUIJRBMX-QGZVFWFLSA-N 0 0 418.494 2.051 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000741016500 1076337087 /nfs/dbraw/zinc/33/70/87/1076337087.db2.gz IFTNPNKUSGOBLQ-ZACQAIPSSA-N 0 0 418.494 2.048 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)N1C[C@@H](C)O[C@H](C)C1 ZINC000741023454 1076340180 /nfs/dbraw/zinc/34/01/80/1076340180.db2.gz ZYVBQJPGDRGZJQ-SXGZJXTBSA-N 0 0 419.478 2.161 20 5 HEBDRN CS(=O)(=O)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC000741200166 1076415382 /nfs/dbraw/zinc/41/53/82/1076415382.db2.gz HQOBOWNJUYHYQE-UHFFFAOYSA-N 0 0 421.479 2.079 20 5 HEBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741260427 1076448381 /nfs/dbraw/zinc/44/83/81/1076448381.db2.gz UTBLLMWPSIZVAT-RHSMWYFYSA-N 0 0 423.466 2.302 20 5 HEBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)c1ccc(C)o1 ZINC000741294730 1076461998 /nfs/dbraw/zinc/46/19/98/1076461998.db2.gz GBDLKQHCBBTDMR-CVEARBPZSA-N 0 0 421.475 2.198 20 5 HEBDRN Cc1c(COC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cccc1[N+](=O)[O-] ZINC000741372337 1076502460 /nfs/dbraw/zinc/50/24/60/1076502460.db2.gz JTKUQYQUSHKKNU-UHFFFAOYSA-N 0 0 407.423 2.026 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386042 1076509079 /nfs/dbraw/zinc/50/90/79/1076509079.db2.gz UQROSQUXCBGFOE-DNVCBOLYSA-N 0 0 413.430 2.366 20 5 HEBDRN CCOc1cc(NC(=O)C(=O)NC[C@H](O)c2ccc(C)o2)c([N+](=O)[O-])cc1OCC ZINC000741435879 1076526916 /nfs/dbraw/zinc/52/69/16/1076526916.db2.gz XOIHRHKOMQTKEV-AWEZNQCLSA-N 0 0 421.406 2.082 20 5 HEBDRN C[C@@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccccc1[N+](=O)[O-] ZINC000741437834 1076528456 /nfs/dbraw/zinc/52/84/56/1076528456.db2.gz JNLIRXJXYSMPRF-CYBMUJFWSA-N 0 0 407.423 2.278 20 5 HEBDRN C[C@H]1CN(C(=O)Cn2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000741504709 1076539709 /nfs/dbraw/zinc/53/97/09/1076539709.db2.gz BPQIYHZKKCHYQV-STQMWFEESA-N 0 0 418.479 2.236 20 5 HEBDRN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000741577897 1076551697 /nfs/dbraw/zinc/55/16/97/1076551697.db2.gz NHIUWWNFTRTNBM-MRXNPFEDSA-N 0 0 416.453 2.440 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000741637232 1076566088 /nfs/dbraw/zinc/56/60/88/1076566088.db2.gz UTFTVPFTLQROSE-UHFFFAOYSA-N 0 0 414.374 2.357 20 5 HEBDRN COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000741654681 1076578480 /nfs/dbraw/zinc/57/84/80/1076578480.db2.gz SQBBOZNXNKACJD-LLVKDONJSA-N 0 0 421.387 2.359 20 5 HEBDRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2 ZINC000741734026 1076613724 /nfs/dbraw/zinc/61/37/24/1076613724.db2.gz DPTQCSKOKUOPER-BJMVGYQFSA-N 0 0 401.444 2.496 20 5 HEBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1-n1cnnn1 ZINC000741738462 1076616048 /nfs/dbraw/zinc/61/60/48/1076616048.db2.gz WFIUVYRSJXRBLX-UHFFFAOYSA-N 0 0 409.406 2.432 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741776732 1076624082 /nfs/dbraw/zinc/62/40/82/1076624082.db2.gz PKUZQASBRMMPOR-OAHLLOKOSA-N 0 0 416.459 2.440 20 5 HEBDRN COc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)c([N+](=O)[O-])cc1OC ZINC000741819876 1076639841 /nfs/dbraw/zinc/63/98/41/1076639841.db2.gz NZPNAZAGXQSPBB-UHFFFAOYSA-N 0 0 420.422 2.439 20 5 HEBDRN C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN1C(=O)OC(C)(C)C ZINC000741800072 1076640953 /nfs/dbraw/zinc/64/09/53/1076640953.db2.gz VUIVUIPFMTVJMQ-AWEZNQCLSA-N 0 0 404.467 2.425 20 5 HEBDRN CN(C)c1cccc(COC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000741952892 1076693203 /nfs/dbraw/zinc/69/32/03/1076693203.db2.gz YFLDCCXKPUBBDH-UHFFFAOYSA-N 0 0 407.448 2.025 20 5 HEBDRN CC(C)(C)OC(=O)N1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21 ZINC000741954936 1076693753 /nfs/dbraw/zinc/69/37/53/1076693753.db2.gz PRZPBAIWBHSFQL-UHFFFAOYSA-N 0 0 402.411 2.365 20 5 HEBDRN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742066531 1076732867 /nfs/dbraw/zinc/73/28/67/1076732867.db2.gz AIWKEMUCPPQAPU-UHFFFAOYSA-N 0 0 406.483 2.148 20 5 HEBDRN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000742084684 1076739208 /nfs/dbraw/zinc/73/92/08/1076739208.db2.gz GSPKIZNUKFOARV-CQSZACIVSA-N 0 0 420.466 2.183 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000742107792 1076743593 /nfs/dbraw/zinc/74/35/93/1076743593.db2.gz UKFRVGKEKXCDQZ-KRWDZBQOSA-N 0 0 402.495 2.379 20 5 HEBDRN O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742200830 1076787466 /nfs/dbraw/zinc/78/74/66/1076787466.db2.gz MVXXJKCJNWYPDA-QFIPXVFZSA-N 0 0 411.458 2.385 20 5 HEBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccccc1I ZINC000742276847 1076808415 /nfs/dbraw/zinc/80/84/15/1076808415.db2.gz LHGZXTKNCSNHFO-UHFFFAOYSA-N 0 0 406.157 2.362 20 5 HEBDRN CC(C)(C)OC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742302975 1076812262 /nfs/dbraw/zinc/81/22/62/1076812262.db2.gz SXRKIRPWPILBBS-UHFFFAOYSA-N 0 0 409.258 2.367 20 5 HEBDRN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC000742293422 1076819821 /nfs/dbraw/zinc/81/98/21/1076819821.db2.gz GZGRPVFVKJLWIR-QMMMGPOBSA-N 0 0 409.258 2.366 20 5 HEBDRN O=C1CCCCN1CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293567 1076819825 /nfs/dbraw/zinc/81/98/25/1076819825.db2.gz MRAJOYSXHFOQOA-UHFFFAOYSA-N 0 0 420.285 2.038 20 5 HEBDRN COC(=O)c1cc(OS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000742296105 1076820574 /nfs/dbraw/zinc/82/05/74/1076820574.db2.gz SMCNUFLKVFNMCC-UHFFFAOYSA-N 0 0 408.388 2.132 20 5 HEBDRN CC(C)(C)OC(=O)N1CCCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000742297085 1076820876 /nfs/dbraw/zinc/82/08/76/1076820876.db2.gz NXLVMPHMUWXDIA-GFCCVEGCSA-N 0 0 400.457 2.058 20 5 HEBDRN O=C1OCc2c1cccc2S(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742341773 1076828504 /nfs/dbraw/zinc/82/85/04/1076828504.db2.gz JUOHYLCCHDMDGT-UHFFFAOYSA-N 0 0 418.427 2.497 20 5 HEBDRN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742345234 1076831846 /nfs/dbraw/zinc/83/18/46/1076831846.db2.gz LIZMKGWLIJAOSA-UHFFFAOYSA-N 0 0 403.258 2.186 20 5 HEBDRN C[C@H]1CN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000742413838 1076835898 /nfs/dbraw/zinc/83/58/98/1076835898.db2.gz KWYGMASLYGMXDQ-RYUDHWBXSA-N 0 0 404.383 2.079 20 5 HEBDRN CCc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)n1 ZINC000742427439 1076838020 /nfs/dbraw/zinc/83/80/20/1076838020.db2.gz RZKYMEMILLTKTA-UHFFFAOYSA-N 0 0 404.452 2.292 20 5 HEBDRN CCCCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000742487210 1076846757 /nfs/dbraw/zinc/84/67/57/1076846757.db2.gz MGJSZBZWFCAWTF-UHFFFAOYSA-N 0 0 416.400 2.288 20 5 HEBDRN CCOC(=O)N[C@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000742564391 1076849566 /nfs/dbraw/zinc/84/95/66/1076849566.db2.gz GIJWRDJBDVWGPX-AWEZNQCLSA-N 0 0 401.423 2.274 20 5 HEBDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000742734341 1076871818 /nfs/dbraw/zinc/87/18/18/1076871818.db2.gz BVNAMCMHQXHJTM-KQQSKNTNSA-N 0 0 404.448 2.420 20 5 HEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000742738585 1076873085 /nfs/dbraw/zinc/87/30/85/1076873085.db2.gz CIJVNLUFKOJXPQ-UTUOFQBUSA-N 0 0 401.510 2.440 20 5 HEBDRN COc1cccc([C@H](OC)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001129326824 1076876102 /nfs/dbraw/zinc/87/61/02/1076876102.db2.gz RIEYWHXLFVDAIU-IBGZPJMESA-N 0 0 413.430 2.276 20 5 HEBDRN CCC(CC)(CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)SC ZINC000742842656 1076886069 /nfs/dbraw/zinc/88/60/69/1076886069.db2.gz PCFWNVBPFYQSLU-UHFFFAOYSA-N 0 0 403.526 2.301 20 5 HEBDRN O=C(c1ccc([C@@H]2CCC(=O)N2)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129327012 1076887348 /nfs/dbraw/zinc/88/73/48/1076887348.db2.gz UVDNFNSRIUSCMA-SFHVURJKSA-N 0 0 422.441 2.144 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000742894790 1076893272 /nfs/dbraw/zinc/89/32/72/1076893272.db2.gz BRIKCGHKCFHEJP-KURKYZTESA-N 0 0 423.425 2.059 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000742894791 1076893305 /nfs/dbraw/zinc/89/33/05/1076893305.db2.gz BRIKCGHKCFHEJP-KZNAEPCWSA-N 0 0 423.425 2.059 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000742919294 1076897523 /nfs/dbraw/zinc/89/75/23/1076897523.db2.gz JQVZAUKLDGCBBU-SNVBAGLBSA-N 0 0 406.395 2.353 20 5 HEBDRN CCOc1cccc(NC(=S)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000742996348 1076916190 /nfs/dbraw/zinc/91/61/90/1076916190.db2.gz BPIBEKKKHZCECH-UHFFFAOYSA-N 0 0 424.504 2.258 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2C)C(C)C)CC1 ZINC000742995206 1076916452 /nfs/dbraw/zinc/91/64/52/1076916452.db2.gz IXCIDFZBYOLERQ-KRWDZBQOSA-N 0 0 406.435 2.496 20 5 HEBDRN C[C@H](OC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000743048223 1076937472 /nfs/dbraw/zinc/93/74/72/1076937472.db2.gz TZBMRVBOAYUOJE-ZDUSSCGKSA-N 0 0 401.375 2.391 20 5 HEBDRN CN(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737482945 1076948518 /nfs/dbraw/zinc/94/85/18/1076948518.db2.gz FUWWCAJIVJFTDD-UHFFFAOYSA-N 0 0 423.516 2.265 20 5 HEBDRN CCOC(=O)c1cnc(N2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000743386227 1077038847 /nfs/dbraw/zinc/03/88/47/1077038847.db2.gz VGFQCZLOVVBCJE-UHFFFAOYSA-N 0 0 416.463 2.357 20 5 HEBDRN CS(=O)(=O)c1ccc(NCCNc2nc3ccccn3c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000743400515 1077043198 /nfs/dbraw/zinc/04/31/98/1077043198.db2.gz OQOGONZCVOWOQF-UHFFFAOYSA-N 0 0 420.407 2.078 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)Sc2nnc([C@H]3CCCCO3)n2N)c([N+](=O)[O-])c1 ZINC000743458381 1077054314 /nfs/dbraw/zinc/05/43/14/1077054314.db2.gz WIKOKPFYXSBSFH-IINYFYTJSA-N 0 0 422.467 2.270 20 5 HEBDRN Nn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1[C@H]1CCCCO1 ZINC000743460070 1077054362 /nfs/dbraw/zinc/05/43/62/1077054362.db2.gz NQZIKHGBBCBCLK-GFCCVEGCSA-N 0 0 403.424 2.484 20 5 HEBDRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC1(C)OCCO1 ZINC000743488903 1077060005 /nfs/dbraw/zinc/06/00/05/1077060005.db2.gz AJTGWHKNYBCRGB-STQMWFEESA-N 0 0 411.480 2.166 20 5 HEBDRN COC(=O)N1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000743580663 1077072838 /nfs/dbraw/zinc/07/28/38/1077072838.db2.gz HEBAMPPVRXROEV-UHFFFAOYSA-N 0 0 406.439 2.378 20 5 HEBDRN CNC(=O)Cn1ccc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc21 ZINC000743689980 1077091496 /nfs/dbraw/zinc/09/14/96/1077091496.db2.gz INKNCIODNHQSNA-UHFFFAOYSA-N 0 0 400.366 2.452 20 5 HEBDRN O=Cc1ccc(OCC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000743764064 1077117714 /nfs/dbraw/zinc/11/77/14/1077117714.db2.gz IWHJFCRIQQFFPC-QGZVFWFLSA-N 0 0 412.320 2.352 20 5 HEBDRN Cc1ccc(NC(=O)C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000743973647 1077276143 /nfs/dbraw/zinc/27/61/43/1077276143.db2.gz OCUGSRCVZYCUQZ-UHFFFAOYSA-N 0 0 424.413 2.383 20 5 HEBDRN Cc1ccnn1-c1ccc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000744148957 1077330973 /nfs/dbraw/zinc/33/09/73/1077330973.db2.gz OOVOOKWMASJHJA-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN CSc1nc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccn21 ZINC000744148614 1077331255 /nfs/dbraw/zinc/33/12/55/1077331255.db2.gz IOMYIOXKPFHYII-UHFFFAOYSA-N 0 0 415.431 2.332 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCN1CCCc2ccccc21 ZINC000744253211 1077350300 /nfs/dbraw/zinc/35/03/00/1077350300.db2.gz QKQFFSVNUIHNLS-UHFFFAOYSA-N 0 0 409.398 2.187 20 5 HEBDRN CCOc1cc(C(=O)N(CCC(=O)OC)C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000744382417 1077376577 /nfs/dbraw/zinc/37/65/77/1077376577.db2.gz WXSDWNPWUQXGKG-UHFFFAOYSA-N 0 0 410.423 2.186 20 5 HEBDRN CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438954 1077394460 /nfs/dbraw/zinc/39/44/60/1077394460.db2.gz VJWGQIUEXRKDGP-SNVBAGLBSA-N 0 0 404.265 2.453 20 5 HEBDRN CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438791 1077394935 /nfs/dbraw/zinc/39/49/35/1077394935.db2.gz SWMIXEZMYOOMBM-LBPRGKRZSA-N 0 0 404.423 2.090 20 5 HEBDRN NC(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000744479144 1077410227 /nfs/dbraw/zinc/41/02/27/1077410227.db2.gz AEVNNEQDVWUNNC-CYBMUJFWSA-N 0 0 412.171 2.462 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)C1CCCC1 ZINC000744495855 1077416081 /nfs/dbraw/zinc/41/60/81/1077416081.db2.gz RKNIQOYQAGAGQC-UHFFFAOYSA-N 0 0 418.855 2.219 20 5 HEBDRN CCc1cnc(COC(=O)CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000744494436 1077416304 /nfs/dbraw/zinc/41/63/04/1077416304.db2.gz FIUBMTFUZHTXHC-UHFFFAOYSA-N 0 0 417.827 2.210 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000744498396 1077418537 /nfs/dbraw/zinc/41/85/37/1077418537.db2.gz UHELZQXQXSPPCW-DOMZBBRYSA-N 0 0 404.448 2.466 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c([N+](=O)[O-])c1 ZINC000744511529 1077428799 /nfs/dbraw/zinc/42/87/99/1077428799.db2.gz XASOUPJDBRTOBV-LJQANCHMSA-N 0 0 416.386 2.340 20 5 HEBDRN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000744513389 1077430680 /nfs/dbraw/zinc/43/06/80/1077430680.db2.gz SDWZFOFFJXQQHL-UHFFFAOYSA-N 0 0 414.326 2.320 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N=c1cc[nH]n1Cc1cccc(C)c1 ZINC000744518791 1077435806 /nfs/dbraw/zinc/43/58/06/1077435806.db2.gz ZHCZMOBRGIVSTN-UHFFFAOYSA-N 0 0 424.413 2.374 20 5 HEBDRN COc1cc(C(=O)O[C@H](C)C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000744532969 1077447735 /nfs/dbraw/zinc/44/77/35/1077447735.db2.gz GCHGFNZNBVGOAB-ZJUUUORDSA-N 0 0 418.349 2.045 20 5 HEBDRN COc1cc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000744534743 1077449015 /nfs/dbraw/zinc/44/90/15/1077449015.db2.gz SNUJKRSIODGMRV-ZCFIWIBFSA-N 0 0 416.255 2.429 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000744566070 1077451279 /nfs/dbraw/zinc/45/12/79/1077451279.db2.gz VTDZHBRLRSWRQL-QEJZJMRPSA-N 0 0 420.418 2.089 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCc1cccs1 ZINC000744553790 1077466253 /nfs/dbraw/zinc/46/62/53/1077466253.db2.gz IEYKGCFXCIEFDT-ZDUSSCGKSA-N 0 0 419.459 2.355 20 5 HEBDRN O=C(OCCOCC1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744666285 1077532333 /nfs/dbraw/zinc/53/23/33/1077532333.db2.gz FKSZBAIUHNBRBT-QGZVFWFLSA-N 0 0 412.464 2.108 20 5 HEBDRN COc1ccc([C@H](NC(=O)COC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)C)cc1 ZINC000744653040 1077539425 /nfs/dbraw/zinc/53/94/25/1077539425.db2.gz UJDPSOPFRHMEIP-LJQANCHMSA-N 0 0 404.423 2.165 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000744694249 1077545532 /nfs/dbraw/zinc/54/55/32/1077545532.db2.gz OXGVUGVDVIFZKH-UHFFFAOYSA-N 0 0 424.413 2.131 20 5 HEBDRN COc1ccc(OCCOC(=O)C2CCN(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000744750508 1077567770 /nfs/dbraw/zinc/56/77/70/1077567770.db2.gz MOPPRRUHXCWCJD-UHFFFAOYSA-N 0 0 421.450 2.453 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000744769910 1077576961 /nfs/dbraw/zinc/57/69/61/1077576961.db2.gz OQMVANCQWORFFD-LLVKDONJSA-N 0 0 417.378 2.196 20 5 HEBDRN CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnc2ncnn21 ZINC000744781285 1077581734 /nfs/dbraw/zinc/58/17/34/1077581734.db2.gz RRHNXXZGEHVDOS-SNVBAGLBSA-N 0 0 416.369 2.479 20 5 HEBDRN CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000744817841 1077588871 /nfs/dbraw/zinc/58/88/71/1077588871.db2.gz MBDBYYJZCWFWQO-WFASDCNBSA-N 0 0 407.423 2.265 20 5 HEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ncc(-c2ccccc2Br)o1 ZINC000744825506 1077608703 /nfs/dbraw/zinc/60/87/03/1077608703.db2.gz KVNPCRCQTRAAFC-UHFFFAOYSA-N 0 0 408.168 2.347 20 5 HEBDRN COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1F ZINC000744866856 1077628724 /nfs/dbraw/zinc/62/87/24/1077628724.db2.gz QDRSGMUVNANCSB-OAHLLOKOSA-N 0 0 411.363 2.209 20 5 HEBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000744870329 1077629383 /nfs/dbraw/zinc/62/93/83/1077629383.db2.gz VKNDVKUBAXRBJL-BZNIZROVSA-N 0 0 422.825 2.488 20 5 HEBDRN CS(=O)(=O)Cc1noc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000744895518 1077637370 /nfs/dbraw/zinc/63/73/70/1077637370.db2.gz SZAWJZAEDUBCIS-UHFFFAOYSA-N 0 0 424.416 2.003 20 5 HEBDRN O=C(COC(=O)CCc1ccccn1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000744884914 1077651970 /nfs/dbraw/zinc/65/19/70/1077651970.db2.gz SSVZXTVFBUNNAR-UHFFFAOYSA-N 0 0 401.375 2.266 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1OC ZINC000744924272 1077653437 /nfs/dbraw/zinc/65/34/37/1077653437.db2.gz GABKJXKMBRVHCA-NSHDSACASA-N 0 0 406.395 2.114 20 5 HEBDRN C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000744925239 1077654391 /nfs/dbraw/zinc/65/43/91/1077654391.db2.gz UNQHCYVECQXTKO-WFASDCNBSA-N 0 0 402.407 2.098 20 5 HEBDRN CC(=O)NC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000744934324 1077658381 /nfs/dbraw/zinc/65/83/81/1077658381.db2.gz KKSCGWUECYRIMH-MRVPVSSYSA-N 0 0 405.329 2.399 20 5 HEBDRN C[C@@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744909089 1077661913 /nfs/dbraw/zinc/66/19/13/1077661913.db2.gz BXMQUFKROYJRNO-SNVBAGLBSA-N 0 0 418.855 2.476 20 5 HEBDRN CCCC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000744968919 1077684009 /nfs/dbraw/zinc/68/40/09/1077684009.db2.gz CBFHFJWAZKOWQN-YGRLFVJLSA-N 0 0 413.427 2.306 20 5 HEBDRN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000745027527 1077709739 /nfs/dbraw/zinc/70/97/39/1077709739.db2.gz HRRWXSGBPAKGEF-WDEREUQCSA-N 0 0 422.419 2.128 20 5 HEBDRN CC(C)CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028560 1077710066 /nfs/dbraw/zinc/71/00/66/1077710066.db2.gz KBHVAOJCGOWIGH-OLZOCXBDSA-N 0 0 411.480 2.355 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCC(C)CC1 ZINC000745030355 1077711110 /nfs/dbraw/zinc/71/11/10/1077711110.db2.gz UHAWNODVJNZHDF-HXSCFSKGSA-N 0 0 421.450 2.419 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(C)CC1 ZINC000745030117 1077711135 /nfs/dbraw/zinc/71/11/35/1077711135.db2.gz SZOMFQHATBKUSJ-UONOGXRCSA-N 0 0 423.491 2.451 20 5 HEBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000065400864 1077715690 /nfs/dbraw/zinc/71/56/90/1077715690.db2.gz XXBUHCLAMYYASK-KGLIPLIRSA-N 0 0 420.466 2.085 20 5 HEBDRN C[C@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766324035 1077729429 /nfs/dbraw/zinc/72/94/29/1077729429.db2.gz CNEFMEXUEVDFQF-HNNXBMFYSA-N 0 0 413.434 2.118 20 5 HEBDRN COc1ccc(CNC(=O)[C@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000745335003 1077805258 /nfs/dbraw/zinc/80/52/58/1077805258.db2.gz LNRKQIHEYZPPTP-ZDUSSCGKSA-N 0 0 402.403 2.403 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000745386455 1077816566 /nfs/dbraw/zinc/81/65/66/1077816566.db2.gz UUKWMBJVYZUMLE-UHFFFAOYSA-N 0 0 403.416 2.348 20 5 HEBDRN Cc1cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1-n1cncn1 ZINC000745410431 1077819942 /nfs/dbraw/zinc/81/99/42/1077819942.db2.gz DYSZOXNDSCLFOS-GOSISDBHSA-N 0 0 407.386 2.446 20 5 HEBDRN O=C(COC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000745424193 1077822988 /nfs/dbraw/zinc/82/29/88/1077822988.db2.gz NTRXGGRQTDBTBL-IBGZPJMESA-N 0 0 417.393 2.289 20 5 HEBDRN Cc1nn(C)c(Cl)c1Cc1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000771763681 1079518836 /nfs/dbraw/zinc/51/88/36/1079518836.db2.gz ALMJNPKXWDITDC-UHFFFAOYSA-N 0 0 419.829 2.263 20 5 HEBDRN CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000771772565 1079525030 /nfs/dbraw/zinc/52/50/30/1079525030.db2.gz GBDZHUCNSNOIGD-ZIAGYGMSSA-N 0 0 401.460 2.452 20 5 HEBDRN Cn1c(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000771851622 1079565520 /nfs/dbraw/zinc/56/55/20/1079565520.db2.gz QOMLBMBJJJHUNE-UHFFFAOYSA-N 0 0 416.415 2.151 20 5 HEBDRN CN(CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)S(=O)(=O)c1cccs1 ZINC000771927715 1079576507 /nfs/dbraw/zinc/57/65/07/1079576507.db2.gz NCFNFUKBOYOYLV-UHFFFAOYSA-N 0 0 424.504 2.281 20 5 HEBDRN COC(=O)c1coc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000766981134 1079578080 /nfs/dbraw/zinc/57/80/80/1079578080.db2.gz ABVPDKNNXBEQGM-PWSUYJOCSA-N 0 0 406.347 2.476 20 5 HEBDRN Cn1ccnc1[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000771930249 1079578263 /nfs/dbraw/zinc/57/82/63/1079578263.db2.gz WXDYVDZGVMMYOP-QGZVFWFLSA-N 0 0 401.423 2.235 20 5 HEBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCc2ncccc2C)cc1[N+](=O)[O-] ZINC000771894452 1079579509 /nfs/dbraw/zinc/57/95/09/1079579509.db2.gz VBVYMCJZIWGGLL-UHFFFAOYSA-N 0 0 411.461 2.042 20 5 HEBDRN O=C(OC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000771947981 1079597131 /nfs/dbraw/zinc/59/71/31/1079597131.db2.gz QGPDLDSFCOKZSG-HNNXBMFYSA-N 0 0 409.358 2.358 20 5 HEBDRN CC(C)(C)c1nc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)no1 ZINC000767030528 1079613916 /nfs/dbraw/zinc/61/39/16/1079613916.db2.gz TYGRNMFQOAFAMX-UHFFFAOYSA-N 0 0 402.363 2.286 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@H](N(C2CC2)S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000771987180 1079631547 /nfs/dbraw/zinc/63/15/47/1079631547.db2.gz GEDFKCRIBYKYLM-ZDUSSCGKSA-N 0 0 412.468 2.152 20 5 HEBDRN COC(=O)C1=C(Cn2cc([N+](=O)[O-])c(C3CC3)n2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000767060388 1079633134 /nfs/dbraw/zinc/63/31/34/1079633134.db2.gz OMCXADHDQWDHJG-GOSISDBHSA-N 0 0 411.418 2.492 20 5 HEBDRN 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O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000767216210 1079743430 /nfs/dbraw/zinc/74/34/30/1079743430.db2.gz JLJOEBUQQSACGN-UHFFFAOYSA-N 0 0 424.753 2.118 20 5 HEBDRN NS(=O)(=O)c1ccc(CNC(=S)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000746531358 1079749363 /nfs/dbraw/zinc/74/93/63/1079749363.db2.gz CKPGRUHHLXKDJL-UHFFFAOYSA-N 0 0 420.516 2.281 20 5 HEBDRN COC(=O)c1oc([C@H](C)OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000767234234 1079755014 /nfs/dbraw/zinc/75/50/14/1079755014.db2.gz OFFRJNLPEUWQGL-JTQLQIEISA-N 0 0 416.342 2.183 20 5 HEBDRN CCOC(=O)[C@@]1(CCOC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCC1=O ZINC000767272359 1079770331 /nfs/dbraw/zinc/77/03/31/1079770331.db2.gz IYVJVPSUDSYPDA-LJQANCHMSA-N 0 0 416.390 2.025 20 5 HEBDRN Cc1ccc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000772270067 1079772239 /nfs/dbraw/zinc/77/22/39/1079772239.db2.gz PYNRJKIGOCIEPX-OAHLLOKOSA-N 0 0 419.459 2.442 20 5 HEBDRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000767274342 1079772939 /nfs/dbraw/zinc/77/29/39/1079772939.db2.gz BDNLXFFVOSDZDJ-UHFFFAOYSA-N 0 0 421.365 2.488 20 5 HEBDRN COC(=O)COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000767251441 1079778555 /nfs/dbraw/zinc/77/85/55/1079778555.db2.gz RJTKLJDJULLODD-LLVKDONJSA-N 0 0 412.395 2.325 20 5 HEBDRN COC(=O)c1cc(C)nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000804352314 1079805532 /nfs/dbraw/zinc/80/55/32/1079805532.db2.gz ROARIUNSWFPFSX-UHFFFAOYSA-N 0 0 401.379 2.320 20 5 HEBDRN NC(=O)c1cc(OC2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)ccn1 ZINC000772334687 1079827767 /nfs/dbraw/zinc/82/77/67/1079827767.db2.gz XMOHISCDDAYOEG-UHFFFAOYSA-N 0 0 424.417 2.182 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCCS1(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000772410168 1079845193 /nfs/dbraw/zinc/84/51/93/1079845193.db2.gz YMOMDELMASYPEF-NOZJJQNGSA-N 0 0 404.828 2.086 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000767444191 1079850808 /nfs/dbraw/zinc/85/08/08/1079850808.db2.gz GCITUQDVRABVQW-SWLSCSKDSA-N 0 0 423.422 2.101 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000767447076 1079855484 /nfs/dbraw/zinc/85/54/84/1079855484.db2.gz OXRZVYQJYAWANN-CQSZACIVSA-N 0 0 407.379 2.415 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000767438484 1079864180 /nfs/dbraw/zinc/86/41/80/1079864180.db2.gz AHIREIPXTYUAKE-OAHLLOKOSA-N 0 0 424.406 2.140 20 5 HEBDRN COCCOc1cc(COC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)ccn1 ZINC000772425274 1079870239 /nfs/dbraw/zinc/87/02/39/1079870239.db2.gz YRIYJIRDSCUNMC-UHFFFAOYSA-N 0 0 413.390 2.261 20 5 HEBDRN Cn1ccnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000767459313 1079884076 /nfs/dbraw/zinc/88/40/76/1079884076.db2.gz XTPRMMCAMMOHEH-HNNXBMFYSA-N 0 0 419.507 2.497 20 5 HEBDRN NS(=O)(=O)c1ccc(CCOC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000767498000 1079891452 /nfs/dbraw/zinc/89/14/52/1079891452.db2.gz KEBCYTOXQGTFOK-UHFFFAOYSA-N 0 0 419.459 2.242 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OCCCn3ccnc3C)cc2[N+](=O)[O-])CC1 ZINC000767521259 1079916134 /nfs/dbraw/zinc/91/61/34/1079916134.db2.gz RKJJCRBJSFFMLD-UHFFFAOYSA-N 0 0 415.450 2.015 20 5 HEBDRN COc1ccc(CN2CCCN(Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2=O)cc1 ZINC000767523932 1079918471 /nfs/dbraw/zinc/91/84/71/1079918471.db2.gz XXXIGJYFCKBXDQ-UHFFFAOYSA-N 0 0 424.461 2.349 20 5 HEBDRN O=C(C1CC1)[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000772573396 1079933106 /nfs/dbraw/zinc/93/31/06/1079933106.db2.gz HJBSGXQPCVZIFE-ZDUSSCGKSA-N 0 0 408.354 2.073 20 5 HEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767562766 1079972677 /nfs/dbraw/zinc/97/26/77/1079972677.db2.gz SQRFUIGWHKCFMK-SNVBAGLBSA-N 0 0 422.356 2.281 20 5 HEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767562765 1079972829 /nfs/dbraw/zinc/97/28/29/1079972829.db2.gz SQRFUIGWHKCFMK-JTQLQIEISA-N 0 0 422.356 2.281 20 5 HEBDRN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000767597711 1079996272 /nfs/dbraw/zinc/99/62/72/1079996272.db2.gz CPQFOIXDYXDGKU-CYBMUJFWSA-N 0 0 411.459 2.032 20 5 HEBDRN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)C2)n(C)n1 ZINC000767597593 1079997650 /nfs/dbraw/zinc/99/76/50/1079997650.db2.gz CBHHKFSWFLAORT-ZDUSSCGKSA-N 0 0 411.459 2.032 20 5 HEBDRN Cn1cc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000772665802 1080007652 /nfs/dbraw/zinc/00/76/52/1080007652.db2.gz FQPGOIVBHCSQFZ-UHFFFAOYSA-N 0 0 409.402 2.363 20 5 HEBDRN COC(=O)C1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCCC1 ZINC000767642444 1080010204 /nfs/dbraw/zinc/01/02/04/1080010204.db2.gz SVVNQQMCJPRVMF-UHFFFAOYSA-N 0 0 418.494 2.099 20 5 HEBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3c(Cl)nc4ccccn43)nc2c1 ZINC000767621672 1080013787 /nfs/dbraw/zinc/01/37/87/1080013787.db2.gz AQADUNXBOFXWGU-UHFFFAOYSA-N 0 0 406.811 2.251 20 5 HEBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000767657446 1080023624 /nfs/dbraw/zinc/02/36/24/1080023624.db2.gz TXBDAEUNGCRECA-NSHDSACASA-N 0 0 410.901 2.144 20 5 HEBDRN O=C(COC(=O)C[C@H]1CSCCS1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000767701096 1080029506 /nfs/dbraw/zinc/02/95/06/1080029506.db2.gz PKQLXZMXWBGBIJ-VIFPVBQESA-N 0 0 400.434 2.044 20 5 HEBDRN O=[N+]([O-])c1ccc(F)cc1CNc1cccc(S(=O)(=O)N2CCC(O)CC2)c1 ZINC000785524771 1080036575 /nfs/dbraw/zinc/03/65/75/1080036575.db2.gz SGSUWZHDWOXZNU-UHFFFAOYSA-N 0 0 409.439 2.491 20 5 HEBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cnc(N2CCOCC2)s1 ZINC000785525356 1080037440 /nfs/dbraw/zinc/03/74/40/1080037440.db2.gz DRHKWLJPUQJIJR-UHFFFAOYSA-N 0 0 401.448 2.228 20 5 HEBDRN O=C(NCc1cnc(N2CCOCC2)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 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QBQPBICKZUBROZ-OAQYLSRUSA-N 0 0 423.429 2.020 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000786245522 1080485766 /nfs/dbraw/zinc/48/57/66/1080485766.db2.gz LDNMXVNOVMCPCH-UHFFFAOYSA-N 0 0 421.479 2.361 20 5 HEBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000804367129 1080503823 /nfs/dbraw/zinc/50/38/23/1080503823.db2.gz GAHWLMLAJZQSJW-CZUORRHYSA-N 0 0 415.324 2.042 20 5 HEBDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000804366890 1080508164 /nfs/dbraw/zinc/50/81/64/1080508164.db2.gz WVGSOSAVHJSKMM-HNNXBMFYSA-N 0 0 406.313 2.180 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000786231908 1080509902 /nfs/dbraw/zinc/50/99/02/1080509902.db2.gz VTYGBPOCDFHVGC-UHFFFAOYSA-N 0 0 408.480 2.451 20 5 HEBDRN C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)NCC(=O)c1ccccc1 ZINC000786284101 1080530270 /nfs/dbraw/zinc/53/02/70/1080530270.db2.gz ILYIBPWSCZHUSZ-GFCCVEGCSA-N 0 0 404.350 2.044 20 5 HEBDRN C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCC(=O)c1ccccc1 ZINC000786285868 1080530322 /nfs/dbraw/zinc/53/03/22/1080530322.db2.gz ODYVUROKGARWCT-AWEZNQCLSA-N 0 0 422.397 2.325 20 5 HEBDRN C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC(=O)c1ccccc1 ZINC000786291322 1080536871 /nfs/dbraw/zinc/53/68/71/1080536871.db2.gz XAKIWJROQFHBNL-AWEZNQCLSA-N 0 0 422.397 2.325 20 5 HEBDRN COC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000746579671 1080559997 /nfs/dbraw/zinc/55/99/97/1080559997.db2.gz IAGZMNOGIPNSMD-CVEARBPZSA-N 0 0 415.421 2.461 20 5 HEBDRN C[C@H]1[C@H](C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000786373533 1080575917 /nfs/dbraw/zinc/57/59/17/1080575917.db2.gz KCQACGUONUGWLH-SMDDNHRTSA-N 0 0 407.423 2.382 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2O ZINC000768486896 1080581459 /nfs/dbraw/zinc/58/14/59/1080581459.db2.gz QGFUFIMVGGMZGV-CQSZACIVSA-N 0 0 405.794 2.433 20 5 HEBDRN CN(C(=O)CN1C(=O)N[C@@](C)(c2cccnc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000768460265 1080581488 /nfs/dbraw/zinc/58/14/88/1080581488.db2.gz BHMPRJCODKCKCM-SFHVURJKSA-N 0 0 417.809 2.073 20 5 HEBDRN CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000768467428 1080586959 /nfs/dbraw/zinc/58/69/59/1080586959.db2.gz ZGMGQZOONNYEMD-UHFFFAOYSA-N 0 0 409.420 2.110 20 5 HEBDRN CC(=O)N[C@H](CC1CCC1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000786405442 1080587877 /nfs/dbraw/zinc/58/78/77/1080587877.db2.gz XPAPATVCYSWDPB-FUHWJXTLSA-N 0 0 417.462 2.438 20 5 HEBDRN CC1(C2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)OCCO1 ZINC000768532582 1080614270 /nfs/dbraw/zinc/61/42/70/1080614270.db2.gz BMITYJVVWISFEN-UHFFFAOYSA-N 0 0 405.451 2.047 20 5 HEBDRN CCc1ccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000746588780 1080651972 /nfs/dbraw/zinc/65/19/72/1080651972.db2.gz FOBUXXZKXPUTKR-UHFFFAOYSA-N 0 0 406.483 2.440 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000768583786 1080665460 /nfs/dbraw/zinc/66/54/60/1080665460.db2.gz VRUIUXQHMPZBHS-MRXNPFEDSA-N 0 0 413.430 2.303 20 5 HEBDRN Cc1nc(C)n(C2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000786555818 1080684355 /nfs/dbraw/zinc/68/43/55/1080684355.db2.gz YPZUXOQRJUTQMV-UHFFFAOYSA-N 0 0 405.358 2.158 20 5 HEBDRN C[C@@H](CN(C)S(C)(=O)=O)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000786614306 1080709259 /nfs/dbraw/zinc/70/92/59/1080709259.db2.gz LAULYXXKVNSCCS-KGLIPLIRSA-N 0 0 413.496 2.268 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1nncn1-c1ccccc1 ZINC000768697779 1080714120 /nfs/dbraw/zinc/71/41/20/1080714120.db2.gz GSTDZAAYZYENBL-UHFFFAOYSA-N 0 0 412.358 2.119 20 5 HEBDRN O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768709598 1080726642 /nfs/dbraw/zinc/72/66/42/1080726642.db2.gz CTVWYUDEZJJJJL-ZDUSSCGKSA-N 0 0 419.821 2.303 20 5 HEBDRN COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1F ZINC000768681210 1080742880 /nfs/dbraw/zinc/74/28/80/1080742880.db2.gz SZNQYIDMJPDSMQ-UHFFFAOYSA-N 0 0 406.322 2.325 20 5 HEBDRN COC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000768682493 1080743464 /nfs/dbraw/zinc/74/34/64/1080743464.db2.gz ZARLPHYNKGDZHX-UHFFFAOYSA-N 0 0 401.375 2.072 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000786662883 1080748409 /nfs/dbraw/zinc/74/84/09/1080748409.db2.gz MLZJOTBPFGRSRD-OAHLLOKOSA-N 0 0 418.837 2.478 20 5 HEBDRN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768690017 1080748927 /nfs/dbraw/zinc/74/89/27/1080748927.db2.gz ZTFFEUXLRIEBBM-KRWDZBQOSA-N 0 0 402.838 2.233 20 5 HEBDRN CC(=O)Nc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000786640104 1080752851 /nfs/dbraw/zinc/75/28/51/1080752851.db2.gz XPHWNUUVRLKNQI-NSHDSACASA-N 0 0 401.354 2.079 20 5 HEBDRN Cc1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000768803159 1080780129 /nfs/dbraw/zinc/78/01/29/1080780129.db2.gz CJCAILTXPUZILN-UHFFFAOYSA-N 0 0 400.460 2.170 20 5 HEBDRN COc1cc(C(=O)OC[C@H]2CNC(c3ccccc3)=NO2)c([N+](=O)[O-])cc1OC ZINC000768803861 1080781672 /nfs/dbraw/zinc/78/16/72/1080781672.db2.gz DGAXRYGZSAORCV-CYBMUJFWSA-N 0 0 401.375 2.119 20 5 HEBDRN O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768805619 1080782057 /nfs/dbraw/zinc/78/20/57/1080782057.db2.gz PADCLIWCQUZAIP-UHFFFAOYSA-N 0 0 413.452 2.379 20 5 HEBDRN O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768805022 1080782205 /nfs/dbraw/zinc/78/22/05/1080782205.db2.gz DEDKCYDIGPURSW-UHFFFAOYSA-N 0 0 413.452 2.332 20 5 HEBDRN O=C(OC[C@@H]1CNC(c2ccccc2)=NO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000768810580 1080787300 /nfs/dbraw/zinc/78/73/00/1080787300.db2.gz PXRYXRZFMBPRKB-KRWDZBQOSA-N 0 0 407.386 2.288 20 5 HEBDRN COC(=O)[C@H](CC(C)C)NC(=O)COc1cc([N+](=O)[O-])ccc1Br ZINC000786745834 1080791502 /nfs/dbraw/zinc/79/15/02/1080791502.db2.gz QPCQPWLPRMZAGZ-LBPRGKRZSA-N 0 0 403.229 2.440 20 5 HEBDRN C[C@@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Br)C(=O)N1CCCCC1 ZINC000786746673 1080792148 /nfs/dbraw/zinc/79/21/48/1080792148.db2.gz YZVXHGMGLICELU-LLVKDONJSA-N 0 0 414.256 2.253 20 5 HEBDRN O=C(CNC(=O)c1ccccc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000768777816 1080792935 /nfs/dbraw/zinc/79/29/35/1080792935.db2.gz KIAHLWRFWWRCGP-MRXNPFEDSA-N 0 0 411.414 2.173 20 5 HEBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000786759373 1080801578 /nfs/dbraw/zinc/80/15/78/1080801578.db2.gz SKQBYZOADZKOQT-UHFFFAOYSA-N 0 0 402.363 2.355 20 5 HEBDRN O=C(c1ccccc1)N1CCC(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768830477 1080814953 /nfs/dbraw/zinc/81/49/53/1080814953.db2.gz DYNLUBMEKZWAEY-UHFFFAOYSA-N 0 0 409.489 2.487 20 5 HEBDRN CCN1C(=S)N=NC1[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768831897 1080816139 /nfs/dbraw/zinc/81/61/39/1080816139.db2.gz MFSRVMWBAUSPRI-SECBINFHSA-N 0 0 403.511 2.125 20 5 HEBDRN O=C(Nc1cccc(F)c1)[C@H]1CSCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834488 1080816664 /nfs/dbraw/zinc/81/66/64/1080816664.db2.gz JLFWKYOFMBLKDA-GFCCVEGCSA-N 0 0 417.465 2.498 20 5 HEBDRN NC(=O)Nc1ccc(C(=O)COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000786780806 1080820788 /nfs/dbraw/zinc/82/07/88/1080820788.db2.gz AEWUPIVVLHPBKO-UHFFFAOYSA-N 0 0 424.369 2.439 20 5 HEBDRN O=C1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1 ZINC000768843098 1080821549 /nfs/dbraw/zinc/82/15/49/1080821549.db2.gz QNFMCFZEZOYNAR-LBPRGKRZSA-N 0 0 401.853 2.394 20 5 HEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000786786554 1080822135 /nfs/dbraw/zinc/82/21/35/1080822135.db2.gz XXENAWHJAUEHNS-UHFFFAOYSA-N 0 0 413.459 2.201 20 5 HEBDRN O=C(OCc1nnnn1CC1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000768875606 1080827469 /nfs/dbraw/zinc/82/74/69/1080827469.db2.gz GENYCQCVWSWLLA-UHFFFAOYSA-N 0 0 419.441 2.451 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CO)c2ccc(Br)cc2)cs1 ZINC000768881604 1080829568 /nfs/dbraw/zinc/82/95/68/1080829568.db2.gz CDBGPMWOZOIJPJ-LLVKDONJSA-N 0 0 407.267 2.431 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000768881940 1080830681 /nfs/dbraw/zinc/83/06/81/1080830681.db2.gz OQYZNRQOAIMPPA-LLVKDONJSA-N 0 0 420.852 2.093 20 5 HEBDRN COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000786874111 1080864112 /nfs/dbraw/zinc/86/41/12/1080864112.db2.gz MTXXVKSJLPWKFV-LLVKDONJSA-N 0 0 415.346 2.019 20 5 HEBDRN Cc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000768934028 1080864796 /nfs/dbraw/zinc/86/47/96/1080864796.db2.gz GAIBFLNABIMXOG-UHFFFAOYSA-N 0 0 409.192 2.404 20 5 HEBDRN CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000786892507 1080871569 /nfs/dbraw/zinc/87/15/69/1080871569.db2.gz VUFBJMQIBXSAHG-LBPRGKRZSA-N 0 0 411.358 2.417 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000786909381 1080879361 /nfs/dbraw/zinc/87/93/61/1080879361.db2.gz JHPSCIGEQIIZMH-NSHDSACASA-N 0 0 411.871 2.497 20 5 HEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000786909380 1080879408 /nfs/dbraw/zinc/87/94/08/1080879408.db2.gz JHPSCIGEQIIZMH-LLVKDONJSA-N 0 0 411.871 2.497 20 5 HEBDRN COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000786886612 1080886795 /nfs/dbraw/zinc/88/67/95/1080886795.db2.gz KDAJTOWASBHWEY-WCIBSUBMSA-N 0 0 418.427 2.233 20 5 HEBDRN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000786933967 1080898148 /nfs/dbraw/zinc/89/81/48/1080898148.db2.gz KKDIMFVRBRQDFS-QQUHWDOBSA-N 0 0 418.855 2.120 20 5 HEBDRN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000786933964 1080898180 /nfs/dbraw/zinc/89/81/80/1080898180.db2.gz KKDIMFVRBRQDFS-JXJLXUTGSA-N 0 0 418.855 2.120 20 5 HEBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1Cl ZINC000786981932 1080938478 /nfs/dbraw/zinc/93/84/78/1080938478.db2.gz RSDPKMYWKHGTSU-UHFFFAOYSA-N 0 0 404.778 2.419 20 5 HEBDRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)c1 ZINC000787021120 1080952468 /nfs/dbraw/zinc/95/24/68/1080952468.db2.gz SYOVGISZHLYEDS-HNNXBMFYSA-N 0 0 412.446 2.237 20 5 HEBDRN NC(=O)COc1cccc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000787031524 1080956554 /nfs/dbraw/zinc/95/65/54/1080956554.db2.gz OSVULFGFVQSSLS-INIZCTEOSA-N 0 0 417.393 2.424 20 5 HEBDRN CN(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(C(N)=O)c1 ZINC000769166592 1080983199 /nfs/dbraw/zinc/98/31/99/1080983199.db2.gz CYIYCTMLAOGJSS-UHFFFAOYSA-N 0 0 409.402 2.325 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000787092327 1080993314 /nfs/dbraw/zinc/99/33/14/1080993314.db2.gz GYFVYUXFQUDGDU-MRXNPFEDSA-N 0 0 400.387 2.395 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000769250959 1081016324 /nfs/dbraw/zinc/01/63/24/1081016324.db2.gz KODJXWBNWRSWMY-GFCCVEGCSA-N 0 0 402.450 2.223 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000746653356 1081039069 /nfs/dbraw/zinc/03/90/69/1081039069.db2.gz DJXBXBWZCZVOGQ-UHFFFAOYSA-N 0 0 420.403 2.079 20 5 HEBDRN COC[C@@H](C)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000769319324 1081041551 /nfs/dbraw/zinc/04/15/51/1081041551.db2.gz RFXWXOOWHGFUCG-CYBMUJFWSA-N 0 0 414.480 2.130 20 5 HEBDRN Cc1c(C(=O)NC[C@@H](C)c2nc3ccccc3o2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000746649810 1081047740 /nfs/dbraw/zinc/04/77/40/1081047740.db2.gz PBAZSRANOKYWHO-SNVBAGLBSA-N 0 0 418.431 2.225 20 5 HEBDRN O=c1c2cnn(-c3ccccc3)c2nnn1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000769395834 1081076833 /nfs/dbraw/zinc/07/68/33/1081076833.db2.gz MWIYPANIQFMHSI-UHFFFAOYSA-N 0 0 414.385 2.255 20 5 HEBDRN COC(=O)COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000787288128 1081093718 /nfs/dbraw/zinc/09/37/18/1081093718.db2.gz HYQJORCYCOPGEF-UHFFFAOYSA-N 0 0 419.394 2.088 20 5 HEBDRN NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746669975 1081094523 /nfs/dbraw/zinc/09/45/23/1081094523.db2.gz RMNKIUNHELTUIK-UHFFFAOYSA-N 0 0 415.221 2.153 20 5 HEBDRN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000769492355 1081095654 /nfs/dbraw/zinc/09/56/54/1081095654.db2.gz IPTGTIYRZGBRLA-MRXNPFEDSA-N 0 0 401.331 2.082 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787296880 1081097075 /nfs/dbraw/zinc/09/70/75/1081097075.db2.gz WTSZNVUQCNUAEL-ZDUSSCGKSA-N 0 0 410.475 2.299 20 5 HEBDRN Cc1ccc(N2CC[C@@H](NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cc1 ZINC000787264842 1081098973 /nfs/dbraw/zinc/09/89/73/1081098973.db2.gz WTHRJTHEWJLWNY-QGZVFWFLSA-N 0 0 412.450 2.252 20 5 HEBDRN COC(CN(CCCO)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)OC ZINC000787277648 1081106128 /nfs/dbraw/zinc/10/61/28/1081106128.db2.gz HPXBGMAOCTYFGZ-UHFFFAOYSA-N 0 0 405.245 2.109 20 5 HEBDRN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000769540157 1081115331 /nfs/dbraw/zinc/11/53/31/1081115331.db2.gz DNPVIDYVCWOZNT-MRXNPFEDSA-N 0 0 415.446 2.214 20 5 HEBDRN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 ZINC000769546095 1081119517 /nfs/dbraw/zinc/11/95/17/1081119517.db2.gz WILICKZCJPIWFM-CQSZACIVSA-N 0 0 400.435 2.167 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000769628479 1081146202 /nfs/dbraw/zinc/14/62/02/1081146202.db2.gz IQUCTISCCTXDLW-UHFFFAOYSA-N 0 0 417.403 2.394 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000769600716 1081164652 /nfs/dbraw/zinc/16/46/52/1081164652.db2.gz JBLQNJZNVQSRIV-UHFFFAOYSA-N 0 0 413.386 2.291 20 5 HEBDRN CC(=O)[C@H]1CC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)=NN1c1ccccc1 ZINC000769621265 1081176768 /nfs/dbraw/zinc/17/67/68/1081176768.db2.gz FCTVUEVKYONZNQ-GOSISDBHSA-N 0 0 406.402 2.311 20 5 HEBDRN O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769622145 1081178803 /nfs/dbraw/zinc/17/88/03/1081178803.db2.gz LQSYJXJXDZSYRJ-WAYWQWQTSA-N 0 0 405.374 2.159 20 5 HEBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCS(=O)(=O)CC2)c(Cl)nn1 ZINC001164432462 718959399 /nfs/dbraw/zinc/95/93/99/718959399.db2.gz XTAVSXPMJREZLF-UHFFFAOYSA-N 0 0 418.809 2.485 20 5 HEBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164703444 719852723 /nfs/dbraw/zinc/85/27/23/719852723.db2.gz PVWWNSIEYDOUPA-BTYIYWSLSA-N 0 0 414.462 2.376 20 5 HEBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705661 719871891 /nfs/dbraw/zinc/87/18/91/719871891.db2.gz NNJXKQUIOGQOEM-FOIQADDNSA-N 0 0 422.482 2.010 20 5 HEBDRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001164713172 720067816 /nfs/dbraw/zinc/06/78/16/720067816.db2.gz NCYMWXDQYZXOGG-RYUDHWBXSA-N 0 0 412.784 2.306 20 5 HEBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164844104 720798760 /nfs/dbraw/zinc/79/87/60/720798760.db2.gz BEVDBBQLLFJUPF-OUCADQQQSA-N 0 0 416.812 2.308 20 5 HEBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164779451 721347657 /nfs/dbraw/zinc/34/76/57/721347657.db2.gz TVAAQHWMPCFMPY-HXUWFJFHSA-N 0 0 416.482 2.417 20 5 HEBDRN O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164912999 721768666 /nfs/dbraw/zinc/76/86/66/721768666.db2.gz STZRCWRSWUMIDY-LJQANCHMSA-N 0 0 419.869 2.146 20 5 HEBDRN Cn1ccc(CN2CCOCC23CCN(c2ncnc4cc([N+](=O)[O-])ccc42)CC3)n1 ZINC001164933855 721904806 /nfs/dbraw/zinc/90/48/06/721904806.db2.gz SDDJUURXLNFFMH-UHFFFAOYSA-N 0 0 423.477 2.143 20 5 HEBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C[C@H]21 ZINC001164941580 721935330 /nfs/dbraw/zinc/93/53/30/721935330.db2.gz IRFOWCDWMXUTPT-ZIAGYGMSSA-N 0 0 408.846 2.041 20 5 HEBDRN CCOc1nc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164943080 721951943 /nfs/dbraw/zinc/95/19/43/721951943.db2.gz GJCHRGQWKSLYSQ-IRXDYDNUSA-N 0 0 403.439 2.083 20 5 HEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C[C@H]21 ZINC001164949094 721958680 /nfs/dbraw/zinc/95/86/80/721958680.db2.gz SUYICNXDPBHUKO-MSOLQXFVSA-N 0 0 417.466 2.471 20 5 HEBDRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCO2 ZINC001164969761 722083511 /nfs/dbraw/zinc/08/35/11/722083511.db2.gz RZCCYYCMZLXFLF-HNNXBMFYSA-N 0 0 404.801 2.406 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769623128 1078476335 /nfs/dbraw/zinc/47/63/35/1078476335.db2.gz XPRXRWAWIMMYEG-LBPRGKRZSA-N 0 0 415.328 2.251 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c(=O)[nH]c1=O ZINC000769651969 1078486487 /nfs/dbraw/zinc/48/64/87/1078486487.db2.gz KNVJOEQTZSWJAD-UHFFFAOYSA-N 0 0 422.463 2.189 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000769666304 1078505227 /nfs/dbraw/zinc/50/52/27/1078505227.db2.gz FBKQMQJDATWODX-UHFFFAOYSA-N 0 0 417.193 2.307 20 5 HEBDRN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769668131 1078507528 /nfs/dbraw/zinc/50/75/28/1078507528.db2.gz BXJXDEIRIVGFIQ-TZMCWYRMSA-N 0 0 417.418 2.100 20 5 HEBDRN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769669758 1078509535 /nfs/dbraw/zinc/50/95/35/1078509535.db2.gz OTMMTNJIEZRFDA-RYUDHWBXSA-N 0 0 405.407 2.098 20 5 HEBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)NCC1CCCCC1 ZINC000769670131 1078510715 /nfs/dbraw/zinc/51/07/15/1078510715.db2.gz QJRVRUSIROCDSS-UHFFFAOYSA-N 0 0 417.418 2.102 20 5 HEBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000769670839 1078511242 /nfs/dbraw/zinc/51/12/42/1078511242.db2.gz VBBJFFFVUROZKE-UHFFFAOYSA-N 0 0 400.318 2.427 20 5 HEBDRN CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769671024 1078511282 /nfs/dbraw/zinc/51/12/82/1078511282.db2.gz YAGYBUGPCLOOFK-LBPRGKRZSA-N 0 0 405.407 2.100 20 5 HEBDRN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769730061 1078518673 /nfs/dbraw/zinc/51/86/73/1078518673.db2.gz RELDLCBETNVDGI-UHFFFAOYSA-N 0 0 418.498 2.456 20 5 HEBDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000745538057 1078529271 /nfs/dbraw/zinc/52/92/71/1078529271.db2.gz UPNQWTJUWSIJNI-DIHOMXLYSA-N 0 0 406.416 2.131 20 5 HEBDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000745562563 1078539732 /nfs/dbraw/zinc/53/97/32/1078539732.db2.gz RONKCIDUVQRLJK-UHFFFAOYSA-N 0 0 419.369 2.304 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769757363 1078542510 /nfs/dbraw/zinc/54/25/10/1078542510.db2.gz HGYXSZSXBYPLAG-UHFFFAOYSA-N 0 0 413.496 2.456 20 5 HEBDRN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000745549777 1078544631 /nfs/dbraw/zinc/54/46/31/1078544631.db2.gz BCUMDWXRXAVUSX-RIYZIHGNSA-N 0 0 414.823 2.385 20 5 HEBDRN CN(CC(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000745616790 1078560466 /nfs/dbraw/zinc/56/04/66/1078560466.db2.gz CJDWYYKXTGILSB-UHFFFAOYSA-N 0 0 402.363 2.145 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737582423 1078596634 /nfs/dbraw/zinc/59/66/34/1078596634.db2.gz PTHPPYQWKBOWOD-CQSZACIVSA-N 0 0 400.347 2.290 20 5 HEBDRN CCOC(=O)c1cnn2c1nccc2C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000769840368 1078601738 /nfs/dbraw/zinc/60/17/38/1078601738.db2.gz TULKZTRBWILKCD-UHFFFAOYSA-N 0 0 411.330 2.312 20 5 HEBDRN O=C(OCc1nnnn1Cc1ccccc1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769838077 1078599710 /nfs/dbraw/zinc/59/97/10/1078599710.db2.gz FDRXXANNTMRIDI-UHFFFAOYSA-N 0 0 419.195 2.144 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)n1nnc(-c2ccccc2)n1 ZINC000745688238 1078600167 /nfs/dbraw/zinc/60/01/67/1078600167.db2.gz YVNBGHJDDIREKL-ZDUSSCGKSA-N 0 0 410.390 2.016 20 5 HEBDRN C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000745702578 1078607367 /nfs/dbraw/zinc/60/73/67/1078607367.db2.gz MQSZTQIGBXLCSX-MJVIPROJSA-N 0 0 420.422 2.161 20 5 HEBDRN C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000745702580 1078607496 /nfs/dbraw/zinc/60/74/96/1078607496.db2.gz MQSZTQIGBXLCSX-UHIISALHSA-N 0 0 420.422 2.161 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000745760801 1078627973 /nfs/dbraw/zinc/62/79/73/1078627973.db2.gz WBOZJIHFJVBWGC-SFHVURJKSA-N 0 0 403.410 2.302 20 5 HEBDRN CC1(C)CN=C(N2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000769909006 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416.457 2.093 20 5 HEBDRN Cc1cc(N2CCC[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4C)CC3)C2=O)n(C)n1 ZINC000770126210 1078741106 /nfs/dbraw/zinc/74/11/06/1078741106.db2.gz KMLSMCUPBLZBBI-IBGZPJMESA-N 0 0 412.494 2.263 20 5 HEBDRN COC(=O)C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCOC1 ZINC000770154376 1078755986 /nfs/dbraw/zinc/75/59/86/1078755986.db2.gz MOQHQOPQIMUVRT-OAHLLOKOSA-N 0 0 401.213 2.199 20 5 HEBDRN Cn1cc(N2CC[C@@H](OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2=O)cn1 ZINC000770158283 1078758626 /nfs/dbraw/zinc/75/86/26/1078758626.db2.gz JMWKCIVCOAAPHS-CYBMUJFWSA-N 0 0 409.196 2.053 20 5 HEBDRN O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000770158118 1078758676 /nfs/dbraw/zinc/75/86/76/1078758676.db2.gz SWVPFLCPLHKMMF-UHFFFAOYSA-N 0 0 407.176 2.471 20 5 HEBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746056776 1078765966 /nfs/dbraw/zinc/76/59/66/1078765966.db2.gz XUHXVZBVDLDXJX-UHFFFAOYSA-N 0 0 419.733 2.496 20 5 HEBDRN O=C(c1ccccc1CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746094925 1078784554 /nfs/dbraw/zinc/78/45/54/1078784554.db2.gz HSWSIJTTYUHXDF-UHFFFAOYSA-N 0 0 410.474 2.389 20 5 HEBDRN O=C(c1ccccc1)N1CC(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000770281113 1078806517 /nfs/dbraw/zinc/80/65/17/1078806517.db2.gz DYEBVACJJTZBSL-UHFFFAOYSA-N 0 0 413.411 2.376 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000746267320 1078838727 /nfs/dbraw/zinc/83/87/27/1078838727.db2.gz MRCWVOFTULVANU-KGLIPLIRSA-N 0 0 424.502 2.343 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000746267319 1078838757 /nfs/dbraw/zinc/83/87/57/1078838757.db2.gz MRCWVOFTULVANU-KBPBESRZSA-N 0 0 424.502 2.343 20 5 HEBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000770348251 1078838082 /nfs/dbraw/zinc/83/80/82/1078838082.db2.gz IPSQVRZDOHTHPZ-SCLBCKFNSA-N 0 0 423.466 2.480 20 5 HEBDRN 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C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](O)c3cnn(C)c3)cc2[N+](=O)[O-])C1 ZINC000743649566 1077080884 /nfs/dbraw/zinc/08/08/84/1077080884.db2.gz SZJGJWRRLTVDSR-PJIJBLCYSA-N 0 0 401.467 2.274 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743656175 1077088737 /nfs/dbraw/zinc/08/87/37/1077088737.db2.gz FJWLTIFUCHFCTP-AWEZNQCLSA-N 0 0 400.483 2.408 20 5 HEBDRN CCC1N=NC(=S)N1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000743666088 1077090011 /nfs/dbraw/zinc/09/00/11/1077090011.db2.gz YNFXTWWSTHFEPA-UHFFFAOYSA-N 0 0 400.258 2.230 20 5 HEBDRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000743719040 1077096267 /nfs/dbraw/zinc/09/62/67/1077096267.db2.gz TWMFQUOXEPIHIX-NTCAYCPXSA-N 0 0 403.460 2.234 20 5 HEBDRN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000743938287 1077229951 /nfs/dbraw/zinc/22/99/51/1077229951.db2.gz HPKPLQLCQKVSOZ-CYBMUJFWSA-N 0 0 406.439 2.310 20 5 HEBDRN 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COc1cccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000771942058 1079593564 /nfs/dbraw/zinc/59/35/64/1079593564.db2.gz USPOOCKSNQFWBR-UHFFFAOYSA-N 0 0 422.419 2.023 20 5 HEBDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752350241 1079619181 /nfs/dbraw/zinc/61/91/81/1079619181.db2.gz UMDQPEURAIXVCC-BUYIWHAFSA-N 0 0 419.434 2.231 20 5 HEBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCc1ncc(Cl)s1 ZINC000772042038 1079664598 /nfs/dbraw/zinc/66/45/98/1079664598.db2.gz GOQXTAUVNFFWRF-UHFFFAOYSA-N 0 0 405.841 2.117 20 5 HEBDRN CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772055404 1079675303 /nfs/dbraw/zinc/67/53/03/1079675303.db2.gz DUAGIUIIADGVMV-OAHLLOKOSA-N 0 0 402.407 2.248 20 5 HEBDRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772058504 1079677345 /nfs/dbraw/zinc/67/73/45/1079677345.db2.gz QGEWBISFCKJAHY-SECBINFHSA-N 0 0 410.408 2.059 20 5 HEBDRN O=C(OC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000772111158 1079713995 /nfs/dbraw/zinc/71/39/95/1079713995.db2.gz SPOHYJDQPHALEK-INIZCTEOSA-N 0 0 409.358 2.358 20 5 HEBDRN C[C@@H](CONC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000767159332 1079720504 /nfs/dbraw/zinc/72/05/04/1079720504.db2.gz HQSJIMOBXJNAEI-LBPRGKRZSA-N 0 0 405.411 2.355 20 5 HEBDRN CC(C)(C)OC(=O)NCCN(CCO)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000767213915 1079741045 /nfs/dbraw/zinc/74/10/45/1079741045.db2.gz XIXWUPCWQOVZMD-UHFFFAOYSA-N 0 0 422.482 2.154 20 5 HEBDRN CN(CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000772224808 1079747987 /nfs/dbraw/zinc/74/79/87/1079747987.db2.gz FCERUGSKLYLIKT-UHFFFAOYSA-N 0 0 403.869 2.360 20 5 HEBDRN COc1ccc(CNS(=O)(=O)CCC(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000767242321 1079762739 /nfs/dbraw/zinc/76/27/39/1079762739.db2.gz ZAFUCZZZFNJSHI-UHFFFAOYSA-N 0 0 408.432 2.156 20 5 HEBDRN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1C(=O)c2ccccc2C1=O 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Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cnn(C)n3)cc2)cc1[N+](=O)[O-] ZINC000785687029 1080163662 /nfs/dbraw/zinc/16/36/62/1080163662.db2.gz PACAGTRVFJKTBK-UHFFFAOYSA-N 0 0 416.419 2.085 20 5 HEBDRN CS(=O)(=O)c1csc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000767850355 1080170192 /nfs/dbraw/zinc/17/01/92/1080170192.db2.gz WBXRCPPLBHZLHI-UHFFFAOYSA-N 0 0 409.401 2.467 20 5 HEBDRN CS(=O)(=O)c1csc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000767850140 1080170347 /nfs/dbraw/zinc/17/03/47/1080170347.db2.gz SQVRVESNXMSLOZ-UHFFFAOYSA-N 0 0 409.401 2.467 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)cc1Br ZINC000767854022 1080174979 /nfs/dbraw/zinc/17/49/79/1080174979.db2.gz IUOWRFZFBCECDA-CHWSQXEVSA-N 0 0 423.310 2.252 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)ccc1Br ZINC000767855157 1080176180 /nfs/dbraw/zinc/17/61/80/1080176180.db2.gz UJOFPIFVGIFDCN-YPMHNXCESA-N 0 0 423.310 2.252 20 5 HEBDRN O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] 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C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741200908 1076414861 /nfs/dbraw/zinc/41/48/61/1076414861.db2.gz ABQJOROARFWXIZ-KKSFZXQISA-N 0 0 423.473 2.350 20 5 HEBDRN C[C@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000741251237 1076421002 /nfs/dbraw/zinc/42/10/02/1076421002.db2.gz JGAJYNRLAKQJBZ-JTQLQIEISA-N 0 0 423.285 2.425 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000741227162 1076422587 /nfs/dbraw/zinc/42/25/87/1076422587.db2.gz FNXFYZIZZCMJIV-HNNXBMFYSA-N 0 0 403.439 2.364 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000741226411 1076422664 /nfs/dbraw/zinc/42/26/64/1076422664.db2.gz AMGWMAWWODHFLT-ZDUSSCGKSA-N 0 0 407.423 2.399 20 5 HEBDRN Cn1cnnc1Sc1ccc(C(=O)OCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000741303874 1076468684 /nfs/dbraw/zinc/46/86/84/1076468684.db2.gz ANAHYJCJHURTBW-ZDUSSCGKSA-N 0 0 408.436 2.227 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741360746 1076484796 /nfs/dbraw/zinc/48/47/96/1076484796.db2.gz LNMXQEKASVAHFA-CYBMUJFWSA-N 0 0 424.429 2.293 20 5 HEBDRN NC(=O)c1ccc(COC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352475 1076493151 /nfs/dbraw/zinc/49/31/51/1076493151.db2.gz HIXNQPCOXOENAG-SFHVURJKSA-N 0 0 413.430 2.028 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384709 1076508825 /nfs/dbraw/zinc/50/88/25/1076508825.db2.gz DPPZJUSISUTBJC-HNAYVOBHSA-N 0 0 413.430 2.366 20 5 HEBDRN O=C(NCc1nnc(-c2ccccc2)[nH]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000741417249 1076515943 /nfs/dbraw/zinc/51/59/43/1076515943.db2.gz YBEZHJCWOZULHK-UHFFFAOYSA-N 0 0 407.434 2.412 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CCO1 ZINC000741394753 1076519856 /nfs/dbraw/zinc/51/98/56/1076519856.db2.gz OMWIEXCFQBVPQR-MRXNPFEDSA-N 0 0 411.411 2.188 20 5 HEBDRN COC(=O)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 ZINC000741582035 1076553136 /nfs/dbraw/zinc/55/31/36/1076553136.db2.gz MBRXSRMWVLYAKT-ZDUSSCGKSA-N 0 0 418.427 2.305 20 5 HEBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1-n1cnnn1 ZINC000741634050 1076573951 /nfs/dbraw/zinc/57/39/51/1076573951.db2.gz CCANMWREINVJNT-UHFFFAOYSA-N 0 0 413.350 2.356 20 5 HEBDRN CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@@H]2CCCO[C@@H]21 ZINC000741657145 1076579131 /nfs/dbraw/zinc/57/91/31/1076579131.db2.gz YOJGVUZWLOPVDO-MWDQSAOVSA-N 0 0 405.426 2.407 20 5 HEBDRN Cc1c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)nnn1C ZINC000741672362 1076582262 /nfs/dbraw/zinc/58/22/62/1076582262.db2.gz HIWCFPBCTDREFU-HNNXBMFYSA-N 0 0 401.423 2.274 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000741731508 1076610582 /nfs/dbraw/zinc/61/05/82/1076610582.db2.gz OXBQJHXKLKWULA-CZXPBSPDSA-N 0 0 413.434 2.079 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000741731509 1076610699 /nfs/dbraw/zinc/61/06/99/1076610699.db2.gz OXBQJHXKLKWULA-OVUXIIJLSA-N 0 0 413.434 2.079 20 5 HEBDRN CN(C)c1ncccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741759053 1076617795 /nfs/dbraw/zinc/61/77/95/1076617795.db2.gz WGBITWSXIICLAF-UHFFFAOYSA-N 0 0 415.269 2.297 20 5 HEBDRN CC1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000741757237 1076621146 /nfs/dbraw/zinc/62/11/46/1076621146.db2.gz MVEGGSIBVMQRNG-UHFFFAOYSA-N 0 0 406.302 2.368 20 5 HEBDRN Cn1ncc2c1nc(CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[nH]c2=O ZINC000741956865 1076694378 /nfs/dbraw/zinc/69/43/78/1076694378.db2.gz JUUPTJOAZKXQKX-GOSISDBHSA-N 0 0 414.447 2.184 20 5 HEBDRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000742011702 1076706180 /nfs/dbraw/zinc/70/61/80/1076706180.db2.gz WSRNJRXTIYLPIN-KRWDZBQOSA-N 0 0 420.429 2.409 20 5 HEBDRN NC(=O)c1ccc(SCC(=O)NCCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000742007203 1076715015 /nfs/dbraw/zinc/71/50/15/1076715015.db2.gz FKRHQWXYYXQXSZ-UHFFFAOYSA-N 0 0 404.404 2.053 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000742008028 1076715834 /nfs/dbraw/zinc/71/58/34/1076715834.db2.gz VSODLAFMGQFROK-UHFFFAOYSA-N 0 0 411.867 2.471 20 5 HEBDRN Cc1cc(F)c(S(=O)(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000742029505 1076724462 /nfs/dbraw/zinc/72/44/62/1076724462.db2.gz FZOOPWCJOKGUPP-UHFFFAOYSA-N 0 0 402.425 2.271 20 5 HEBDRN C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000742090457 1076730403 /nfs/dbraw/zinc/73/04/03/1076730403.db2.gz XHKTWAHTPNMIFJ-ZDUSSCGKSA-N 0 0 407.423 2.254 20 5 HEBDRN CC[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742067203 1076733247 /nfs/dbraw/zinc/73/32/47/1076733247.db2.gz NINNHSHOOYLPNS-MRXNPFEDSA-N 0 0 414.418 2.299 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C(=O)OC(C)(C)C ZINC000742087909 1076741493 /nfs/dbraw/zinc/74/14/93/1076741493.db2.gz GUDXBJIXAMJBOV-CYBMUJFWSA-N 0 0 403.439 2.412 20 5 HEBDRN CCc1cnc(N2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000742129165 1076760154 /nfs/dbraw/zinc/76/01/54/1076760154.db2.gz UXESXCUOHDJNIY-UHFFFAOYSA-N 0 0 400.464 2.312 20 5 HEBDRN CCOC(=O)c1cc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc([N+](=O)[O-])c1 ZINC000742193538 1076783052 /nfs/dbraw/zinc/78/30/52/1076783052.db2.gz OAEULYJFVUZIBJ-LBPRGKRZSA-N 0 0 406.464 2.021 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000742201427 1076788624 /nfs/dbraw/zinc/78/86/24/1076788624.db2.gz IPWFMPDEGDAHAF-UHFFFAOYSA-N 0 0 402.373 2.192 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCOC[C@@H]2C(F)(F)F)c1 ZINC000742301312 1076811986 /nfs/dbraw/zinc/81/19/86/1076811986.db2.gz OJPUZORBNLTCNI-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN O=C(NCC(F)(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742391341 1076833548 /nfs/dbraw/zinc/83/35/48/1076833548.db2.gz GBHBBQYLQPIQKH-UHFFFAOYSA-N 0 0 416.356 2.446 20 5 HEBDRN Cc1ccc([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000742473772 1076842626 /nfs/dbraw/zinc/84/26/26/1076842626.db2.gz IRJGJSOJHUSROD-AWEZNQCLSA-N 0 0 407.448 2.133 20 5 HEBDRN Nn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCOCC1 ZINC000742457222 1076843582 /nfs/dbraw/zinc/84/35/82/1076843582.db2.gz XZAZBHKEVUNCPS-UHFFFAOYSA-N 0 0 412.859 2.178 20 5 HEBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000742624291 1076858534 /nfs/dbraw/zinc/85/85/34/1076858534.db2.gz ISEWIHYLWCKMCW-UHFFFAOYSA-N 0 0 423.399 2.498 20 5 HEBDRN CCOC(=O)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000742634453 1076859640 /nfs/dbraw/zinc/85/96/40/1076859640.db2.gz BSVGEYPARIXCSD-CQSZACIVSA-N 0 0 410.423 2.434 20 5 HEBDRN CCO[C@H](C)c1noc(CN2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000742792252 1076879602 /nfs/dbraw/zinc/87/96/02/1076879602.db2.gz AAPIEIHUXRMLLQ-RZIFZGNASA-N 0 0 415.450 2.433 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000742995612 1076915217 /nfs/dbraw/zinc/91/52/17/1076915217.db2.gz QROJLSOICLTLIB-ZFWWWQNUSA-N 0 0 400.387 2.405 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000742994363 1076915457 /nfs/dbraw/zinc/91/54/57/1076915457.db2.gz JFGFDWMUIHJORN-UHFFFAOYSA-N 0 0 405.451 2.165 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)c2ccc(CNC(C)=O)s2)c([N+](=O)[O-])c1 ZINC000743154142 1076969422 /nfs/dbraw/zinc/96/94/22/1076969422.db2.gz VUPLIVHNELJARC-UHFFFAOYSA-N 0 0 407.404 2.097 20 5 HEBDRN Cc1cn(CN2CC(=O)N(C(C)C)C(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743380067 1077045616 /nfs/dbraw/zinc/04/56/16/1077045616.db2.gz LHHXJOUYYPLWGP-UHFFFAOYSA-N 0 0 401.467 2.144 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc([C@@H]2CCCCO2)n1N ZINC000743457326 1077053341 /nfs/dbraw/zinc/05/33/41/1077053341.db2.gz PLMMANUMUCAGHO-HZMBPMFUSA-N 0 0 422.467 2.270 20 5 HEBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000743654539 1077088117 /nfs/dbraw/zinc/08/81/17/1077088117.db2.gz OYITYSFIUIZIMN-DNVCBOLYSA-N 0 0 421.475 2.063 20 5 HEBDRN CCC1N=NC(=S)N1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000743665549 1077089816 /nfs/dbraw/zinc/08/98/16/1077089816.db2.gz DBHHXNOCIGFDHD-UHFFFAOYSA-N 0 0 419.385 2.409 20 5 HEBDRN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000743838840 1077140345 /nfs/dbraw/zinc/14/03/45/1077140345.db2.gz YTVJTLXIZJOSLX-RNCFNFMXSA-N 0 0 422.239 2.015 20 5 HEBDRN NC(=O)NCCCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000744145740 1077330226 /nfs/dbraw/zinc/33/02/26/1077330226.db2.gz CPCVEMFIDORTSD-UHFFFAOYSA-N 0 0 418.372 2.432 20 5 HEBDRN Cc1ccn(-c2ccc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)n1 ZINC000744149898 1077331231 /nfs/dbraw/zinc/33/12/31/1077331231.db2.gz SAVWOIXPEJQGQY-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744149871 1077331245 /nfs/dbraw/zinc/33/12/45/1077331245.db2.gz RJLGIKXUYRGPSC-JTQLQIEISA-N 0 0 409.345 2.395 20 5 HEBDRN CCc1cnc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)s1 ZINC000744372605 1077370833 /nfs/dbraw/zinc/37/08/33/1077370833.db2.gz JYGBOOICWYJXQP-NSHDSACASA-N 0 0 406.439 2.465 20 5 HEBDRN CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438451 1077395023 /nfs/dbraw/zinc/39/50/23/1077395023.db2.gz IKWRLFPXZBAKMP-CYBMUJFWSA-N 0 0 404.423 2.090 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@H](COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000744468299 1077403855 /nfs/dbraw/zinc/40/38/55/1077403855.db2.gz GVBOKIYHUOBOHK-ZDUSSCGKSA-N 0 0 407.423 2.125 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(F)(F)C(F)F ZINC000744496254 1077416231 /nfs/dbraw/zinc/41/62/31/1077416231.db2.gz YVIWQQINTLDFGI-UHFFFAOYSA-N 0 0 422.740 2.360 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000744498399 1077418242 /nfs/dbraw/zinc/41/82/42/1077418242.db2.gz UHELZQXQXSPPCW-WFASDCNBSA-N 0 0 404.448 2.466 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000744498398 1077418495 /nfs/dbraw/zinc/41/84/95/1077418495.db2.gz UHELZQXQXSPPCW-SWLSCSKDSA-N 0 0 404.448 2.466 20 5 HEBDRN CNC(=O)c1cccc(COC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1 ZINC000744509751 1077427134 /nfs/dbraw/zinc/42/71/34/1077427134.db2.gz STHZTCKMKHOMLX-UHFFFAOYSA-N 0 0 422.397 2.166 20 5 HEBDRN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766320384 1077450246 /nfs/dbraw/zinc/45/02/46/1077450246.db2.gz RUPOYGAGAKAWOC-BBRMVZONSA-N 0 0 403.460 2.335 20 5 HEBDRN C[C@@H](OC(=O)[C@@]12CCC(=O)N1CCS2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000744574429 1077489077 /nfs/dbraw/zinc/48/90/77/1077489077.db2.gz RRUGCFCZFNLHJD-QGHHPUGFSA-N 0 0 404.404 2.315 20 5 HEBDRN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744615457 1077503932 /nfs/dbraw/zinc/50/39/32/1077503932.db2.gz RSXZJMDMVGKRIK-CZUORRHYSA-N 0 0 416.434 2.497 20 5 HEBDRN CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000744615515 1077504623 /nfs/dbraw/zinc/50/46/23/1077504623.db2.gz VUBVJDXZFHXGNE-ZDUSSCGKSA-N 0 0 424.413 2.480 20 5 HEBDRN CCn1c2ccccc2n(CC(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])c1=O ZINC000744618100 1077504973 /nfs/dbraw/zinc/50/49/73/1077504973.db2.gz NDDHWVDYDHEWDS-UHFFFAOYSA-N 0 0 415.402 2.362 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000744664472 1077531161 /nfs/dbraw/zinc/53/11/61/1077531161.db2.gz BVZIZEZLWWQIMQ-SECBINFHSA-N 0 0 411.212 2.433 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000744730982 1077559452 /nfs/dbraw/zinc/55/94/52/1077559452.db2.gz JZAZHCJMCNMHGS-INIZCTEOSA-N 0 0 408.407 2.485 20 5 HEBDRN CCc1cnc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000744854983 1077623270 /nfs/dbraw/zinc/62/32/70/1077623270.db2.gz YZXHESMJPQMAEA-CYBMUJFWSA-N 0 0 423.447 2.289 20 5 HEBDRN CCc1cnc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000744854985 1077623356 /nfs/dbraw/zinc/62/33/56/1077623356.db2.gz YZXHESMJPQMAEA-ZDUSSCGKSA-N 0 0 423.447 2.289 20 5 HEBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000744870616 1077629316 /nfs/dbraw/zinc/62/93/16/1077629316.db2.gz YDGBZBZEEPKITI-NHYWBVRUSA-N 0 0 422.825 2.488 20 5 HEBDRN COc1cc(OCC(=O)OCC(=O)Nc2ccnn2C2CCCC2)ccc1[N+](=O)[O-] ZINC000744872902 1077631634 /nfs/dbraw/zinc/63/16/34/1077631634.db2.gz LSNUYQCLDLLRJX-UHFFFAOYSA-N 0 0 418.406 2.476 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000744899778 1077642477 /nfs/dbraw/zinc/64/24/77/1077642477.db2.gz VCABXNTXFOSBOY-AWEZNQCLSA-N 0 0 417.378 2.124 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000744901167 1077643422 /nfs/dbraw/zinc/64/34/22/1077643422.db2.gz RRKGIRXPVWYJQS-DOMZBBRYSA-N 0 0 407.423 2.121 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)O[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000744901920 1077644488 /nfs/dbraw/zinc/64/44/88/1077644488.db2.gz JJVAHXZEOCEQQI-OAHLLOKOSA-N 0 0 405.794 2.149 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1SC ZINC000744951182 1077675226 /nfs/dbraw/zinc/67/52/26/1077675226.db2.gz AZXRMCXVFDQJTD-CYBMUJFWSA-N 0 0 420.447 2.411 20 5 HEBDRN COc1cc([N+](=O)[O-])c(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)cc1SC ZINC000744952793 1077675736 /nfs/dbraw/zinc/67/57/36/1077675736.db2.gz NEQAXMQUIIBPTG-UHFFFAOYSA-N 0 0 423.447 2.347 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC1CCCC1 ZINC000745030397 1077711088 /nfs/dbraw/zinc/71/10/88/1077711088.db2.gz VGXPSGNDHPHLCR-DGCLKSJQSA-N 0 0 409.464 2.251 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](OC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2=O)n1 ZINC000745049940 1077712580 /nfs/dbraw/zinc/71/25/80/1077712580.db2.gz IENGVJTXXVMSFA-OAHLLOKOSA-N 0 0 422.825 2.489 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000745142973 1077754184 /nfs/dbraw/zinc/75/41/84/1077754184.db2.gz YIVLHWAOOOEMEY-RBZFPXEDSA-N 0 0 402.403 2.467 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745280195 1077791504 /nfs/dbraw/zinc/79/15/04/1077791504.db2.gz PEECNWQLUOTQRQ-LBPRGKRZSA-N 0 0 400.435 2.256 20 5 HEBDRN CCn1c2nnc(COC(=O)Cc3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000745332093 1077804821 /nfs/dbraw/zinc/80/48/21/1077804821.db2.gz VARNJUFMFZHOER-UHFFFAOYSA-N 0 0 407.386 2.258 20 5 HEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000745332748 1077805036 /nfs/dbraw/zinc/80/50/36/1077805036.db2.gz XHDORMLCPMSHFS-UHFFFAOYSA-N 0 0 401.394 2.168 20 5 HEBDRN Cc1cc(NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)n(-c2nc(C)cc(C)n2)n1 ZINC000745332407 1077805096 /nfs/dbraw/zinc/80/50/96/1077805096.db2.gz JILCQQYLQZBTQP-UHFFFAOYSA-N 0 0 424.417 2.220 20 5 HEBDRN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000745334019 1077805280 /nfs/dbraw/zinc/80/52/80/1077805280.db2.gz QSYSMBKFXXEBSS-UHFFFAOYSA-N 0 0 413.430 2.361 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000745334422 1077805459 /nfs/dbraw/zinc/80/54/59/1077805459.db2.gz SZCRPLNRWMWPLZ-RHSMWYFYSA-N 0 0 414.414 2.367 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)C)CC1 ZINC000745334656 1077805461 /nfs/dbraw/zinc/80/54/61/1077805461.db2.gz VYRWAPJYWJYEBJ-SFHVURJKSA-N 0 0 406.435 2.117 20 5 HEBDRN CN(CC(=O)Oc1cccc(-n2cccn2)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737569262 1077811122 /nfs/dbraw/zinc/81/11/22/1077811122.db2.gz SRHPYTFPPLTSDS-UHFFFAOYSA-N 0 0 416.415 2.007 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)C)CC1 ZINC000745386251 1077816178 /nfs/dbraw/zinc/81/61/78/1077816178.db2.gz QKUYKZFXPUUKLI-KRWDZBQOSA-N 0 0 406.435 2.496 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000745386824 1077816324 /nfs/dbraw/zinc/81/63/24/1077816324.db2.gz ZXWRPTFMNPECGS-UHFFFAOYSA-N 0 0 417.443 2.106 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000745388748 1077816884 /nfs/dbraw/zinc/81/68/84/1077816884.db2.gz HFOQQMGDXDXWOO-UHFFFAOYSA-N 0 0 401.331 2.137 20 5 HEBDRN Cc1cc(-n2cncn2)ccc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745416211 1077821102 /nfs/dbraw/zinc/82/11/02/1077821102.db2.gz GBCNWUZDNFGYPP-UHFFFAOYSA-N 0 0 407.386 2.230 20 5 HEBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766931539 1079511150 /nfs/dbraw/zinc/51/11/50/1079511150.db2.gz MQHKJKHYVBITHR-AWEZNQCLSA-N 0 0 423.385 2.132 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000771769010 1079522901 /nfs/dbraw/zinc/52/29/01/1079522901.db2.gz MEZDEQCWWALUEE-UHFFFAOYSA-N 0 0 423.447 2.296 20 5 HEBDRN Cc1cc(S(=O)(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1F ZINC000771774319 1079527025 /nfs/dbraw/zinc/52/70/25/1079527025.db2.gz FWJACOBJVQYXAC-JTQLQIEISA-N 0 0 405.448 2.481 20 5 HEBDRN Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771802678 1079537630 /nfs/dbraw/zinc/53/76/30/1079537630.db2.gz DABHAOYKKREMFE-AWEZNQCLSA-N 0 0 414.871 2.361 20 5 HEBDRN C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000766971697 1079565944 /nfs/dbraw/zinc/56/59/44/1079565944.db2.gz LWNYFVPCMADADE-SNVBAGLBSA-N 0 0 403.420 2.142 20 5 HEBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766971231 1079566488 /nfs/dbraw/zinc/56/64/88/1079566488.db2.gz BCLXXWLWXJVZFW-UHFFFAOYSA-N 0 0 401.206 2.451 20 5 HEBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766975372 1079571100 /nfs/dbraw/zinc/57/11/00/1079571100.db2.gz SGKYXVCWKHTPOL-CYBMUJFWSA-N 0 0 412.406 2.315 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000767063193 1079635333 /nfs/dbraw/zinc/63/53/33/1079635333.db2.gz ROKFQMCSNYIVPW-HNNXBMFYSA-N 0 0 420.422 2.152 20 5 HEBDRN O=C(OCc1ccccc1)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746520441 1079656572 /nfs/dbraw/zinc/65/65/72/1079656572.db2.gz NGQSZFNECPENJX-LJQANCHMSA-N 0 0 415.446 2.289 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)n1 ZINC000772060288 1079680799 /nfs/dbraw/zinc/68/07/99/1079680799.db2.gz QKSDBTUBIDOVCE-UHFFFAOYSA-N 0 0 408.168 2.498 20 5 HEBDRN COc1cccc(N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000772020341 1079682376 /nfs/dbraw/zinc/68/23/76/1079682376.db2.gz JZNWBQFNEOMTBZ-CQSZACIVSA-N 0 0 422.482 2.461 20 5 HEBDRN CC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC2)n1 ZINC000767197773 1079731877 /nfs/dbraw/zinc/73/18/77/1079731877.db2.gz RNYMSVNHYHARPA-IBGZPJMESA-N 0 0 424.461 2.350 20 5 HEBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC(O)(c3ccccc3)CC1)OCCO2 ZINC000767244551 1079764217 /nfs/dbraw/zinc/76/42/17/1079764217.db2.gz JQXPBRLIFHKIIQ-UHFFFAOYSA-N 0 0 420.443 2.038 20 5 HEBDRN CCS(=O)(=O)c1ccc2oc(COC(=O)c3cc([N+](=O)[O-])ccc3N)nc2c1 ZINC000767275314 1079773716 /nfs/dbraw/zinc/77/37/16/1079773716.db2.gz IGCLVOYYERNRTI-UHFFFAOYSA-N 0 0 405.388 2.469 20 5 HEBDRN COc1ccc2c(c1)OC[C@@H](Nc1ccc(C(=O)N3CCOCC3)cc1[N+](=O)[O-])C2 ZINC000767304494 1079802521 /nfs/dbraw/zinc/80/25/21/1079802521.db2.gz SJJAPDMOUVQDKS-INIZCTEOSA-N 0 0 413.430 2.491 20 5 HEBDRN CNC(=O)COc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000767321540 1079817849 /nfs/dbraw/zinc/81/78/49/1079817849.db2.gz MHQJMOSFDCWGDF-UHFFFAOYSA-N 0 0 400.796 2.141 20 5 HEBDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000767440855 1079848629 /nfs/dbraw/zinc/84/86/29/1079848629.db2.gz NNCJWGIXBBGJFC-OAHLLOKOSA-N 0 0 422.482 2.173 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000772414606 1079864247 /nfs/dbraw/zinc/86/42/47/1079864247.db2.gz WAVDQKWFYJGSNH-NOZJJQNGSA-N 0 0 404.828 2.086 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000767440203 1079864852 /nfs/dbraw/zinc/86/48/52/1079864852.db2.gz HBEIGPCGAVKIEU-WFASDCNBSA-N 0 0 423.422 2.101 20 5 HEBDRN O=C(NC[C@@H](O)c1cccnc1)c1ccc([N+](=O)[O-])cc1I ZINC000772510807 1079907286 /nfs/dbraw/zinc/90/72/86/1079907286.db2.gz OQGGFRJECLWNGC-CYBMUJFWSA-N 0 0 413.171 2.058 20 5 HEBDRN COC(=O)CCN1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000772516835 1079909419 /nfs/dbraw/zinc/90/94/19/1079909419.db2.gz CKOSHFFBSDCTMM-VIFPVBQESA-N 0 0 420.285 2.128 20 5 HEBDRN COc1cc(OCC(=O)OCc2cc(-c3cnn(C)c3C)no2)ccc1[N+](=O)[O-] ZINC000767529228 1079920799 /nfs/dbraw/zinc/92/07/99/1079920799.db2.gz UHKIMLRQCXTDPN-UHFFFAOYSA-N 0 0 402.363 2.423 20 5 HEBDRN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)OCc1csc([N+](=O)[O-])c1 ZINC000767538640 1079941974 /nfs/dbraw/zinc/94/19/74/1079941974.db2.gz OXIDAYIMJWSKLY-UHFFFAOYSA-N 0 0 404.448 2.224 20 5 HEBDRN COCc1ccc(NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000772561639 1079963953 /nfs/dbraw/zinc/96/39/53/1079963953.db2.gz QVDHOHRYWUSSBC-UHFFFAOYSA-N 0 0 422.463 2.378 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000767622660 1080014387 /nfs/dbraw/zinc/01/43/87/1080014387.db2.gz HUEBLPFTYIDREX-UHFFFAOYSA-N 0 0 405.392 2.475 20 5 HEBDRN C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc(I)cc1[N+](=O)[O-] ZINC000785518061 1080030931 /nfs/dbraw/zinc/03/09/31/1080030931.db2.gz NEQBMKHPROLSPJ-CPCISQLKSA-N 0 0 413.189 2.085 20 5 HEBDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000767689523 1080041297 /nfs/dbraw/zinc/04/12/97/1080041297.db2.gz HWYKGZVHDPBWSG-HNNXBMFYSA-N 0 0 413.430 2.441 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000767705917 1080057143 /nfs/dbraw/zinc/05/71/43/1080057143.db2.gz IPCKMPYIGHCLPU-UHFFFAOYSA-N 0 0 402.362 2.427 20 5 HEBDRN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785592200 1080065514 /nfs/dbraw/zinc/06/55/14/1080065514.db2.gz ODDGRVVHSIJVBH-MRXNPFEDSA-N 0 0 414.378 2.056 20 5 HEBDRN COc1cc(CCNC(=O)C(=O)N2CCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000785602065 1080071500 /nfs/dbraw/zinc/07/15/00/1080071500.db2.gz XBMQQWAFTLGCSP-UHFFFAOYSA-N 0 0 405.451 2.063 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000785605574 1080074838 /nfs/dbraw/zinc/07/48/38/1080074838.db2.gz GPRKGDCVILIZBD-AWEZNQCLSA-N 0 0 405.411 2.029 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(CC(F)F)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000785560885 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Cc1sc2nnn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2c1C ZINC000771154507 1079167402 /nfs/dbraw/zinc/16/74/02/1079167402.db2.gz NCSVQPDHRVUJDH-UHFFFAOYSA-N 0 0 400.464 2.158 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000771157858 1079171842 /nfs/dbraw/zinc/17/18/42/1079171842.db2.gz QFNFGXISTGDPHQ-LJQANCHMSA-N 0 0 420.422 2.035 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2ncc(C)s2)CC1 ZINC000771160005 1079175530 /nfs/dbraw/zinc/17/55/30/1079175530.db2.gz UCRPXFKAFOOVPK-UHFFFAOYSA-N 0 0 407.408 2.381 20 5 HEBDRN C[S@](=O)CCN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000771142555 1079191822 /nfs/dbraw/zinc/19/18/22/1079191822.db2.gz BCAZVCOPMNDIHG-MHZLTWQESA-N 0 0 410.374 2.022 20 5 HEBDRN CN(CC(=O)Nc1ccc(Br)cn1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000771181923 1079211862 /nfs/dbraw/zinc/21/18/62/1079211862.db2.gz JGDOONFXBKIGFA-UHFFFAOYSA-N 0 0 405.212 2.475 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000771175222 1079210097 /nfs/dbraw/zinc/21/00/97/1079210097.db2.gz ZJSCOGCXSQMQCR-UHFFFAOYSA-N 0 0 417.447 2.257 20 5 HEBDRN CCc1ccc(OS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c([N+](=O)[O-])c1 ZINC000771184163 1079213159 /nfs/dbraw/zinc/21/31/59/1079213159.db2.gz ZWICJJDBDATFGN-UHFFFAOYSA-N 0 0 418.424 2.436 20 5 HEBDRN C[C@@H]1CN(C(=O)Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000771226817 1079217008 /nfs/dbraw/zinc/21/70/08/1079217008.db2.gz YGKARBHWPOAFOA-BETUJISGSA-N 0 0 412.406 2.009 20 5 HEBDRN O=C1CO[C@@H](CNc2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)CN1 ZINC001169270517 1079224132 /nfs/dbraw/zinc/22/41/32/1079224132.db2.gz FTEPPQUHXJDJTO-GFCCVEGCSA-N 0 0 401.404 2.319 20 5 HEBDRN COc1cc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC001169416921 1079276478 /nfs/dbraw/zinc/27/64/78/1079276478.db2.gz WHCHYEDDWRQYPM-LRDDRELGSA-N 0 0 418.393 2.237 20 5 HEBDRN COc1ccc(COC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000771318414 1079283914 /nfs/dbraw/zinc/28/39/14/1079283914.db2.gz WALWRPHDYUKMDA-UHFFFAOYSA-N 0 0 412.395 2.154 20 5 HEBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCc2cnccc2C)cc1[N+](=O)[O-] ZINC000771324848 1079287784 /nfs/dbraw/zinc/28/77/84/1079287784.db2.gz FXQWOEXMDNHNLP-UHFFFAOYSA-N 0 0 411.461 2.042 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(F)cc([N+](=O)[O-])c2C)c1 ZINC001169440478 1079291093 /nfs/dbraw/zinc/29/10/93/1079291093.db2.gz GFXNPBHQOYOLRP-QGZVFWFLSA-N 0 0 407.398 2.321 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001169443388 1079294459 /nfs/dbraw/zinc/29/44/59/1079294459.db2.gz YZPSMMOXKLWGAN-MRXNPFEDSA-N 0 0 407.398 2.321 20 5 HEBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CSCCN2C(=O)OC(C)(C)C)n1 ZINC000771388534 1079317578 /nfs/dbraw/zinc/31/75/78/1079317578.db2.gz CRFBPFWQGICSMI-SNVBAGLBSA-N 0 0 410.456 2.273 20 5 HEBDRN O=C(Nc1ccc(F)nc1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766749413 1079336001 /nfs/dbraw/zinc/33/60/01/1079336001.db2.gz LNUDGHMERFBQPC-GFCCVEGCSA-N 0 0 408.411 2.168 20 5 HEBDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Oc3cc(F)cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000771484221 1079354597 /nfs/dbraw/zinc/35/45/97/1079354597.db2.gz OJYZXPUCMKERJE-IBGZPJMESA-N 0 0 417.349 2.115 20 5 HEBDRN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503844 1079364299 /nfs/dbraw/zinc/36/42/99/1079364299.db2.gz ZTURMPJPDRLZHH-HNNXBMFYSA-N 0 0 413.459 2.230 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000771504382 1079364668 /nfs/dbraw/zinc/36/46/68/1079364668.db2.gz KVIPNJDPNUDQDR-NRFANRHFSA-N 0 0 412.398 2.453 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000766786130 1079374905 /nfs/dbraw/zinc/37/49/05/1079374905.db2.gz WWXKETFVZGNARY-LJQANCHMSA-N 0 0 416.386 2.100 20 5 HEBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN([C@H]2CCOC2)CC1 ZINC000771562324 1079385709 /nfs/dbraw/zinc/38/57/09/1079385709.db2.gz PXZLSHYEPPTELR-NSHDSACASA-N 0 0 402.220 2.043 20 5 HEBDRN COCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)c1 ZINC000804338117 1079387474 /nfs/dbraw/zinc/38/74/74/1079387474.db2.gz UAKQMTCFAJDUEI-UHFFFAOYSA-N 0 0 423.223 2.381 20 5 HEBDRN CCCCC[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000766804322 1079390347 /nfs/dbraw/zinc/39/03/47/1079390347.db2.gz NIVDFOOAIRZGKB-ZDUSSCGKSA-N 0 0 405.407 2.100 20 5 HEBDRN O=C(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])OCc1ccccc1Cl ZINC000766804201 1079390391 /nfs/dbraw/zinc/39/03/91/1079390391.db2.gz KONQJALSIOSGJS-UHFFFAOYSA-N 0 0 412.851 2.454 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766807471 1079391900 /nfs/dbraw/zinc/39/19/00/1079391900.db2.gz WTWBCLYWERIWBA-CYBMUJFWSA-N 0 0 401.485 2.312 20 5 HEBDRN COc1cc(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000771612695 1079397346 /nfs/dbraw/zinc/39/73/46/1079397346.db2.gz KRPYLHUFRZYDMK-UHFFFAOYSA-N 0 0 408.432 2.324 20 5 HEBDRN COc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)cc1[N+](=O)[O-] ZINC000771617037 1079399740 /nfs/dbraw/zinc/39/97/40/1079399740.db2.gz ZEMLYHHEOHVWSR-UHFFFAOYSA-N 0 0 413.346 2.421 20 5 HEBDRN CC(C)Cc1nnc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000766829595 1079413949 /nfs/dbraw/zinc/41/39/49/1079413949.db2.gz IGTNQJBIASTJMX-UHFFFAOYSA-N 0 0 404.496 2.406 20 5 HEBDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000766830630 1079414650 /nfs/dbraw/zinc/41/46/50/1079414650.db2.gz GQBUHLLQVUWXLL-OAHLLOKOSA-N 0 0 413.496 2.408 20 5 HEBDRN C[C@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000771589835 1079417178 /nfs/dbraw/zinc/41/71/78/1079417178.db2.gz XBKIRIGVXYULFW-LBPRGKRZSA-N 0 0 423.403 2.476 20 5 HEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000771652964 1079424297 /nfs/dbraw/zinc/42/42/97/1079424297.db2.gz MTLLGQCDQYYSGI-UHFFFAOYSA-N 0 0 415.424 2.019 20 5 HEBDRN CCO[C@@H]1C[C@H](OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000771629918 1079415861 /nfs/dbraw/zinc/41/58/61/1079415861.db2.gz DXWDHGJCGKZVEO-CVEARBPZSA-N 0 0 412.464 2.154 20 5 HEBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766851052 1079437210 /nfs/dbraw/zinc/43/72/10/1079437210.db2.gz QVCIXAOEXQIWKA-RDJZCZTQSA-N 0 0 408.480 2.168 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccccc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000771631585 1079440869 /nfs/dbraw/zinc/44/08/69/1079440869.db2.gz QDRDARJTGRTXJP-CVEARBPZSA-N 0 0 422.463 2.187 20 5 HEBDRN Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000771635611 1079444069 /nfs/dbraw/zinc/44/40/69/1079444069.db2.gz MNJUQOKJMZANEP-SFHVURJKSA-N 0 0 414.466 2.218 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2c[nH]nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000766867600 1079459985 /nfs/dbraw/zinc/45/99/85/1079459985.db2.gz QQGPNBDYEMEMII-UHFFFAOYSA-N 0 0 413.365 2.492 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(Cc3cscn3)CC2)cc([N+](=O)[O-])c1F ZINC000771730565 1079468198 /nfs/dbraw/zinc/46/81/98/1079468198.db2.gz JBXZNTBZJGEKBU-UHFFFAOYSA-N 0 0 400.457 2.005 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2cccc(C(=O)NC3CC3)c2)cc([N+](=O)[O-])c1F ZINC000771736645 1079472873 /nfs/dbraw/zinc/47/28/73/1079472873.db2.gz ZOBKZSSIUBMJQR-UHFFFAOYSA-N 0 0 407.423 2.413 20 5 HEBDRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H](O)c1cccc(F)c1 ZINC000771741591 1079475881 /nfs/dbraw/zinc/47/58/81/1079475881.db2.gz URAQBKNKTCLRJN-YLVFBTJISA-N 0 0 405.382 2.170 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2nc(Cc3ccccc3)no2)cc([N+](=O)[O-])c1F ZINC000771753872 1079484051 /nfs/dbraw/zinc/48/40/51/1079484051.db2.gz SFNHUXSFXYXVBO-UHFFFAOYSA-N 0 0 406.395 2.495 20 5 HEBDRN COC(=O)COc1cccc(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000771754655 1079486104 /nfs/dbraw/zinc/48/61/04/1079486104.db2.gz BQHILHXFCDHOKW-UHFFFAOYSA-N 0 0 412.395 2.073 20 5 HEBDRN CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771720484 1079489936 /nfs/dbraw/zinc/48/99/36/1079489936.db2.gz BJYPKKGHQJIOOC-GFCCVEGCSA-N 0 0 408.473 2.020 20 5 HEBDRN CCc1nc([C@@H]2CCCCN2C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)no1 ZINC000737880820 1075938133 /nfs/dbraw/zinc/93/81/33/1075938133.db2.gz ANNKQYHCIYUGOA-ZDUSSCGKSA-N 0 0 418.406 2.494 20 5 HEBDRN CC(=O)O[C@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000766231722 1075941178 /nfs/dbraw/zinc/94/11/78/1075941178.db2.gz WDDZCEKYLCLZFW-ZDUSSCGKSA-N 0 0 418.187 2.367 20 5 HEBDRN CCC(CC)C(=O)N1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000771728514 1079494445 /nfs/dbraw/zinc/49/44/45/1079494445.db2.gz CBTNFAOTLXTPRF-UHFFFAOYSA-N 0 0 401.460 2.311 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000738110676 1075965345 /nfs/dbraw/zinc/96/53/45/1075965345.db2.gz NRZDYGLPVIDUHW-GFCCVEGCSA-N 0 0 404.423 2.090 20 5 HEBDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000065267582 1075968242 /nfs/dbraw/zinc/96/82/42/1075968242.db2.gz GQUWOUIJAHKDJO-KBPBESRZSA-N 0 0 413.496 2.309 20 5 HEBDRN CN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000738406935 1075994487 /nfs/dbraw/zinc/99/44/87/1075994487.db2.gz CZGXFFQLGVODDS-UHFFFAOYSA-N 0 0 422.482 2.177 20 5 HEBDRN CN(CC(=O)OC[C@@H]1OCCc2ccccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738675098 1076015321 /nfs/dbraw/zinc/01/53/21/1076015321.db2.gz WMMNSRPCUOPBOV-SFHVURJKSA-N 0 0 420.443 2.073 20 5 HEBDRN COC(=O)Nc1ccc(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000739093394 1076044200 /nfs/dbraw/zinc/04/42/00/1076044200.db2.gz LKQCPCGCBLDTPJ-UHFFFAOYSA-N 0 0 400.391 2.379 20 5 HEBDRN C[C@H](COc1ccccc1)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739159185 1076050904 /nfs/dbraw/zinc/05/09/04/1076050904.db2.gz HLRKIMMUMMKSIL-CQSZACIVSA-N 0 0 408.432 2.226 20 5 HEBDRN O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000739217157 1076052950 /nfs/dbraw/zinc/05/29/50/1076052950.db2.gz GRIIAHRRJJKBCZ-CQSZACIVSA-N 0 0 407.386 2.385 20 5 HEBDRN COc1cc(N2CCC(OC(=O)[C@@]34CCC(=O)N3CCS4)CC2)ccc1[N+](=O)[O-] ZINC000739382531 1076056562 /nfs/dbraw/zinc/05/65/62/1076056562.db2.gz ZBQXCEVJEVKPJB-IBGZPJMESA-N 0 0 421.475 2.181 20 5 HEBDRN COc1c(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c(C)nn1C ZINC000739368118 1076060013 /nfs/dbraw/zinc/06/00/13/1076060013.db2.gz BJLNBTZMXXEFHR-UHFFFAOYSA-N 0 0 404.423 2.480 20 5 HEBDRN CCOc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000739620340 1076074945 /nfs/dbraw/zinc/07/49/45/1076074945.db2.gz GNFWVAJAYAZIKJ-UHFFFAOYSA-N 0 0 407.448 2.277 20 5 HEBDRN O=C1[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000739976012 1076089643 /nfs/dbraw/zinc/08/96/43/1076089643.db2.gz JBPYJFCSOVIHHL-CYBMUJFWSA-N 0 0 413.814 2.471 20 5 HEBDRN Cc1ccc(NCCCNC(=O)NCc2ccc(-n3cncn3)nc2)c([N+](=O)[O-])c1 ZINC000740033997 1076097674 /nfs/dbraw/zinc/09/76/74/1076097674.db2.gz QMUOZSZBVCDJAV-UHFFFAOYSA-N 0 0 410.438 2.180 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740151515 1076108975 /nfs/dbraw/zinc/10/89/75/1076108975.db2.gz DRLWKTKOYZODFA-AWEZNQCLSA-N 0 0 408.794 2.491 20 5 HEBDRN CCCc1n[nH]c(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000740152407 1076110066 /nfs/dbraw/zinc/11/00/66/1076110066.db2.gz FZTOBSVUWJFAFP-GFCCVEGCSA-N 0 0 410.814 2.158 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000766247812 1076140050 /nfs/dbraw/zinc/14/00/50/1076140050.db2.gz ITLXCQQBYARRQY-UHFFFAOYSA-N 0 0 401.379 2.287 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000766249911 1076148173 /nfs/dbraw/zinc/14/81/73/1076148173.db2.gz QVHOGEMWROAAKE-HNNXBMFYSA-N 0 0 402.451 2.154 20 5 HEBDRN Cc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000766252648 1076160979 /nfs/dbraw/zinc/16/09/79/1076160979.db2.gz ADFWDANBOJRXSN-INIZCTEOSA-N 0 0 410.430 2.380 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)NC(=O)c1ccccc1 ZINC000740409553 1076165783 /nfs/dbraw/zinc/16/57/83/1076165783.db2.gz DUNJVKFVTFFQIR-UHFFFAOYSA-N 0 0 407.176 2.471 20 5 HEBDRN CCOCCCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740424085 1076167001 /nfs/dbraw/zinc/16/70/01/1076167001.db2.gz YEIDWMKAJJOLSB-JTQLQIEISA-N 0 0 403.229 2.445 20 5 HEBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000740502060 1076177582 /nfs/dbraw/zinc/17/75/82/1076177582.db2.gz BFXFZPIZWIZEIN-UHFFFAOYSA-N 0 0 408.418 2.253 20 5 HEBDRN O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000740502176 1076177798 /nfs/dbraw/zinc/17/77/98/1076177798.db2.gz GJEJASUZNACFDQ-NSHDSACASA-N 0 0 401.347 2.046 20 5 HEBDRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000740656848 1076210361 /nfs/dbraw/zinc/21/03/61/1076210361.db2.gz PWVBQRGNIOGJMC-UHFFFAOYSA-N 0 0 414.386 2.329 20 5 HEBDRN C[C@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)CC1(C)OCCO1 ZINC000740734584 1076220555 /nfs/dbraw/zinc/22/05/55/1076220555.db2.gz LEDTVQGVVPODMM-ZDUSSCGKSA-N 0 0 407.423 2.188 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000740793472 1076239760 /nfs/dbraw/zinc/23/97/60/1076239760.db2.gz VQYLYTSWMBRXOG-UHFFFAOYSA-N 0 0 407.404 2.487 20 5 HEBDRN C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000740843746 1076265287 /nfs/dbraw/zinc/26/52/87/1076265287.db2.gz YKMASNGYMKLXNO-UONOGXRCSA-N 0 0 422.459 2.499 20 5 HEBDRN Cc1cc2c(c(C)c1)C(=O)C(=O)N2CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740860703 1076270751 /nfs/dbraw/zinc/27/07/51/1076270751.db2.gz IAUPYPCSFIBMHX-UHFFFAOYSA-N 0 0 422.441 2.156 20 5 HEBDRN CCOC(=O)c1ccnc(NCC[C@](O)(c2nccn2C)C(F)(F)F)c1[N+](=O)[O-] ZINC000737398004 1076298498 /nfs/dbraw/zinc/29/84/98/1076298498.db2.gz JOEHCTDJNUSWQW-HNNXBMFYSA-N 0 0 417.344 2.152 20 5 HEBDRN O=C(NC[C@@H]1COc2ccccc2C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740906674 1076298964 /nfs/dbraw/zinc/29/89/64/1076298964.db2.gz FOOIIUIFBAQANJ-MRXNPFEDSA-N 0 0 424.457 2.314 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000741005796 1076325948 /nfs/dbraw/zinc/32/59/48/1076325948.db2.gz WYSMVTKZQMTAEI-UGSOOPFHSA-N 0 0 402.403 2.467 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741028340 1076344023 /nfs/dbraw/zinc/34/40/23/1076344023.db2.gz YISGRHGFQFOFSG-BIENJYKASA-N 0 0 423.466 2.219 20 5 HEBDRN CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)C1 ZINC000741184466 1076399214 /nfs/dbraw/zinc/39/92/14/1076399214.db2.gz BIYMNDHFPMWPMI-UHFFFAOYSA-N 0 0 412.830 2.266 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000741185214 1076399879 /nfs/dbraw/zinc/39/98/79/1076399879.db2.gz UBUAISJKXZQYGU-CQSZACIVSA-N 0 0 406.439 2.154 20 5 HEBDRN COc1cc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c([N+](=O)[O-])cc1F ZINC001273382064 1076409781 /nfs/dbraw/zinc/40/97/81/1076409781.db2.gz WPCYTLHMSZBIAH-UHFFFAOYSA-N 0 0 403.366 2.200 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCOC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000741324205 1076476225 /nfs/dbraw/zinc/47/62/25/1076476225.db2.gz UDEPOHGMHIIOIY-WMZOPIPTSA-N 0 0 406.435 2.247 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741361358 1076497582 /nfs/dbraw/zinc/49/75/82/1076497582.db2.gz BIMUDHRVNVNQBV-HNNXBMFYSA-N 0 0 420.466 2.463 20 5 HEBDRN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(=O)C1 ZINC000741448222 1076531917 /nfs/dbraw/zinc/53/19/17/1076531917.db2.gz XNDCMDRQZKCEGA-UHFFFAOYSA-N 0 0 403.395 2.224 20 5 HEBDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000741504705 1076539594 /nfs/dbraw/zinc/53/95/94/1076539594.db2.gz BPQIYHZKKCHYQV-CHWSQXEVSA-N 0 0 418.479 2.236 20 5 HEBDRN Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000741619676 1076558418 /nfs/dbraw/zinc/55/84/18/1076558418.db2.gz QKTUNSKYBISXGK-MRXNPFEDSA-N 0 0 406.402 2.019 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000741717335 1076591504 /nfs/dbraw/zinc/59/15/04/1076591504.db2.gz COJRVAUTYQNZRR-UHFFFAOYSA-N 0 0 405.357 2.123 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000741735925 1076614843 /nfs/dbraw/zinc/61/48/43/1076614843.db2.gz KZGMKOUAPXHKKZ-MRXNPFEDSA-N 0 0 406.391 2.457 20 5 HEBDRN Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741755333 1076620296 /nfs/dbraw/zinc/62/02/96/1076620296.db2.gz CUPMJZWCDULPBF-LBPRGKRZSA-N 0 0 415.269 2.447 20 5 HEBDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741754955 1076620723 /nfs/dbraw/zinc/62/07/23/1076620723.db2.gz AMCZHEBSFNZBNF-SNVBAGLBSA-N 0 0 421.269 2.321 20 5 HEBDRN COc1ccc(OCCOC(=O)c2cccc(N3C(=O)CCC3=O)c2)c([N+](=O)[O-])c1 ZINC000741822935 1076645250 /nfs/dbraw/zinc/64/52/50/1076645250.db2.gz FGVAUIDWFIQCCE-UHFFFAOYSA-N 0 0 414.370 2.493 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000741829286 1076648204 /nfs/dbraw/zinc/64/82/04/1076648204.db2.gz GELLWIOXMJJJRT-UHFFFAOYSA-N 0 0 400.416 2.427 20 5 HEBDRN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000741830301 1076648762 /nfs/dbraw/zinc/64/87/62/1076648762.db2.gz AAGPDYCHEWCLAI-QWRGUYRKSA-N 0 0 422.467 2.120 20 5 HEBDRN CN(CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000741889239 1076660150 /nfs/dbraw/zinc/66/01/50/1076660150.db2.gz SBOSONSXRCQHFO-UHFFFAOYSA-N 0 0 402.432 2.394 20 5 HEBDRN Cc1cc(C)c(OC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000741890257 1076661369 /nfs/dbraw/zinc/66/13/69/1076661369.db2.gz UDFCJQYAJSDDQD-UHFFFAOYSA-N 0 0 420.443 2.293 20 5 HEBDRN COC(=O)CN1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000741921904 1076677211 /nfs/dbraw/zinc/67/72/11/1076677211.db2.gz XRNCHUBRXRCYRJ-UHFFFAOYSA-N 0 0 412.446 2.071 20 5 HEBDRN Cc1ccc(N2CCC[C@@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2=O)cc1 ZINC000742007696 1076714480 /nfs/dbraw/zinc/71/44/80/1076714480.db2.gz KCDGTUARRZZYED-MRXNPFEDSA-N 0 0 424.413 2.123 20 5 HEBDRN CCC(CC)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000742034790 1076727497 /nfs/dbraw/zinc/72/74/97/1076727497.db2.gz WGBYLDNZFNUOSZ-HXUWFJFHSA-N 0 0 404.511 2.380 20 5 HEBDRN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000742085131 1076740566 /nfs/dbraw/zinc/74/05/66/1076740566.db2.gz VXPWLRNMGMONHI-CYBMUJFWSA-N 0 0 416.438 2.257 20 5 HEBDRN O=[N+]([O-])c1cn(CN2CCN(CC(F)(F)C(F)F)CC2)nc1-c1ccncc1 ZINC000742153959 1076768136 /nfs/dbraw/zinc/76/81/36/1076768136.db2.gz YCOSKXGYYPBOBH-UHFFFAOYSA-N 0 0 402.352 2.329 20 5 HEBDRN COc1ccc(CSCC(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000742191627 1076780066 /nfs/dbraw/zinc/78/00/66/1076780066.db2.gz PSHXUBYIRUBLHW-ZDUSSCGKSA-N 0 0 424.548 2.472 20 5 HEBDRN O=C(NC[C@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742200826 1076787526 /nfs/dbraw/zinc/78/75/26/1076787526.db2.gz MVXXJKCJNWYPDA-JOCHJYFZSA-N 0 0 411.458 2.385 20 5 HEBDRN O=C(Nc1cnc(Br)cn1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000742223222 1076801378 /nfs/dbraw/zinc/80/13/78/1076801378.db2.gz XSSJIWRJOJUQKG-MRVPVSSYSA-N 0 0 424.186 2.278 20 5 HEBDRN CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742231800 1076802426 /nfs/dbraw/zinc/80/24/26/1076802426.db2.gz YVYPXKCEEQCRNH-UHFFFAOYSA-N 0 0 414.237 2.281 20 5 HEBDRN CC(=O)N1CC=C(c2ccc(OS(=O)(=O)c3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000742273639 1076807703 /nfs/dbraw/zinc/80/77/03/1076807703.db2.gz YOZUZEORIKKYDR-UHFFFAOYSA-N 0 0 403.416 2.393 20 5 HEBDRN CNS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1 ZINC000742256594 1076810461 /nfs/dbraw/zinc/81/04/61/1076810461.db2.gz CBIGXZZDQZZSEI-UHFFFAOYSA-N 0 0 420.447 2.213 20 5 HEBDRN CCOC(=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000742265765 1076811149 /nfs/dbraw/zinc/81/11/49/1076811149.db2.gz SMROIMHJALHWMY-UHFFFAOYSA-N 0 0 412.251 2.364 20 5 HEBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(I)cc1 ZINC000742268633 1076811698 /nfs/dbraw/zinc/81/16/98/1076811698.db2.gz DBVFIUGRPHWVAM-UHFFFAOYSA-N 0 0 406.157 2.362 20 5 HEBDRN CC(C)n1cc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000742268674 1076811741 /nfs/dbraw/zinc/81/17/41/1076811741.db2.gz DVQHOXIGELGDHC-UHFFFAOYSA-N 0 0 422.872 2.035 20 5 HEBDRN CN(C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000742283071 1076815172 /nfs/dbraw/zinc/81/51/72/1076815172.db2.gz IGWXXUMZWFEFLU-ZDUSSCGKSA-N 0 0 414.484 2.257 20 5 HEBDRN COc1ccccc1-n1cc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])cn1 ZINC000742286803 1076816326 /nfs/dbraw/zinc/81/63/26/1076816326.db2.gz LPEUVJZQKDQDPR-UHFFFAOYSA-N 0 0 403.372 2.369 20 5 HEBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742287099 1076816337 /nfs/dbraw/zinc/81/63/37/1076816337.db2.gz AYSPHSJYQQVGJV-STQMWFEESA-N 0 0 414.484 2.446 20 5 HEBDRN CN(CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000742287621 1076816907 /nfs/dbraw/zinc/81/69/07/1076816907.db2.gz HOGUQBRUEPPBSR-UHFFFAOYSA-N 0 0 407.471 2.286 20 5 HEBDRN O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccccc1 ZINC000742288713 1076817466 /nfs/dbraw/zinc/81/74/66/1076817466.db2.gz WGEAZUUDCXNCKK-UHFFFAOYSA-N 0 0 414.237 2.274 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCN(C3CCC3)CC2)c1 ZINC000742297189 1076821313 /nfs/dbraw/zinc/82/13/13/1076821313.db2.gz QJJWKIORCVFOSI-UHFFFAOYSA-N 0 0 404.286 2.216 20 5 HEBDRN CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742299686 1076822378 /nfs/dbraw/zinc/82/23/78/1076822378.db2.gz LLFODIRPDLQDSZ-NRFANRHFSA-N 0 0 413.315 2.183 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742321309 1076823454 /nfs/dbraw/zinc/82/34/54/1076823454.db2.gz PKXUCPNVGRBWOI-OLZOCXBDSA-N 0 0 414.484 2.352 20 5 HEBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000742323591 1076824082 /nfs/dbraw/zinc/82/40/82/1076824082.db2.gz NPIGYJVYPKRTAV-MRXNPFEDSA-N 0 0 419.459 2.386 20 5 HEBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)OC(C)(C)C ZINC000742312186 1076828016 /nfs/dbraw/zinc/82/80/16/1076828016.db2.gz XPNGKOLWUJPONB-LLVKDONJSA-N 0 0 403.432 2.364 20 5 HEBDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3nnc4n3CCC4)CC2)c1[N+](=O)[O-] ZINC000742393808 1076833702 /nfs/dbraw/zinc/83/37/02/1076833702.db2.gz DFBSKDAKVOTRAE-UHFFFAOYSA-N 0 0 402.411 2.225 20 5 HEBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000742398860 1076834445 /nfs/dbraw/zinc/83/44/45/1076834445.db2.gz BWDNGEOKGQPKQW-UHFFFAOYSA-N 0 0 410.430 2.155 20 5 HEBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)c2cnn(-c3ccccc3)c2)C1=O ZINC000742451452 1076839007 /nfs/dbraw/zinc/83/90/07/1076839007.db2.gz WUCPUVGXBFKGLP-NRFANRHFSA-N 0 0 419.397 2.430 20 5 HEBDRN Nn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1C1CCOCC1 ZINC000742457112 1076843547 /nfs/dbraw/zinc/84/35/47/1076843547.db2.gz OHRLVRTZSBFDBD-UHFFFAOYSA-N 0 0 403.424 2.136 20 5 HEBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(C3CCOCC3)n2N)cccc1[N+](=O)[O-] ZINC000742457078 1076843560 /nfs/dbraw/zinc/84/35/60/1076843560.db2.gz NJMJNFMEZIZPOF-NSHDSACASA-N 0 0 406.468 2.222 20 5 HEBDRN Cn1ccnc1C(=O)c1ccc(NC2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000742558906 1076851791 /nfs/dbraw/zinc/85/17/91/1076851791.db2.gz PITNZSJZEOESLM-UHFFFAOYSA-N 0 0 407.434 2.430 20 5 HEBDRN CS[C@@H]1CC[C@H](NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 ZINC000742740046 1076873348 /nfs/dbraw/zinc/87/33/48/1076873348.db2.gz MQBJTDQZTAJFQE-JKSUJKDBSA-N 0 0 406.508 2.277 20 5 HEBDRN CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000742748792 1076876521 /nfs/dbraw/zinc/87/65/21/1076876521.db2.gz IFQGUVXWRKXCRI-BJJXKVORSA-N 0 0 413.521 2.148 20 5 HEBDRN C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000737475689 1076885705 /nfs/dbraw/zinc/88/57/05/1076885705.db2.gz HJFBWESECLMGLE-AWEZNQCLSA-N 0 0 403.460 2.361 20 5 HEBDRN Cn1c(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc2c1nc1ccccn1c2=O ZINC000742872664 1076890469 /nfs/dbraw/zinc/89/04/69/1076890469.db2.gz HOITXLNLYLTKDW-UHFFFAOYSA-N 0 0 408.370 2.330 20 5 HEBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742934453 1076898749 /nfs/dbraw/zinc/89/87/49/1076898749.db2.gz GSWZRSOAJKFXPE-JTQLQIEISA-N 0 0 403.782 2.337 20 5 HEBDRN CN(C[C@@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)OC(C)(C)C ZINC000743393562 1077041152 /nfs/dbraw/zinc/04/11/52/1077041152.db2.gz VDIQGXOMSDBRAS-AWEZNQCLSA-N 0 0 418.450 2.480 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H]3CCCCO3)n2N)c([N+](=O)[O-])c1 ZINC000743458379 1077054356 /nfs/dbraw/zinc/05/43/56/1077054356.db2.gz WIKOKPFYXSBSFH-HZMBPMFUSA-N 0 0 422.467 2.270 20 5 HEBDRN CC1N=NC(=S)N1CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000743500721 1077058397 /nfs/dbraw/zinc/05/83/97/1077058397.db2.gz QJULCSDBAXJOQU-UHFFFAOYSA-N 0 0 404.496 2.450 20 5 HEBDRN Cn1ccnc1[C@@](O)(CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000743558956 1077069090 /nfs/dbraw/zinc/06/90/90/1077069090.db2.gz FIKRCUMJCDULMX-INIZCTEOSA-N 0 0 415.372 2.010 20 5 HEBDRN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 ZINC000743931436 1077256369 /nfs/dbraw/zinc/25/63/69/1077256369.db2.gz YLOTUALFWBMGJD-MRXNPFEDSA-N 0 0 416.821 2.417 20 5 HEBDRN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000743952163 1077260616 /nfs/dbraw/zinc/26/06/16/1077260616.db2.gz FVHHVGAPIXXDGV-OAHLLOKOSA-N 0 0 412.446 2.117 20 5 HEBDRN CC(=O)Nc1cc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000743953703 1077260915 /nfs/dbraw/zinc/26/09/15/1077260915.db2.gz WZGSQRBNVKHUSM-UHFFFAOYSA-N 0 0 406.345 2.129 20 5 HEBDRN C[C@@H]1CCC[C@H](C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000744031551 1077299453 /nfs/dbraw/zinc/29/94/53/1077299453.db2.gz MQABCAAOKNMUQA-KGLIPLIRSA-N 0 0 412.464 2.347 20 5 HEBDRN CC(C)NC(=O)CCCC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744035467 1077310085 /nfs/dbraw/zinc/31/00/85/1077310085.db2.gz NJWLQPLQDAEQEX-UHFFFAOYSA-N 0 0 405.860 2.090 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc2[nH]c(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc2c1 ZINC000744111230 1077319852 /nfs/dbraw/zinc/31/98/52/1077319852.db2.gz UYTGPYPCMMSUCQ-UHFFFAOYSA-N 0 0 422.394 2.218 20 5 HEBDRN NC(=O)CNC(=O)c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000744145965 1077330156 /nfs/dbraw/zinc/33/01/56/1077330156.db2.gz LNKPDGPIYQTAPV-UHFFFAOYSA-N 0 0 411.292 2.048 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000744200384 1077339063 /nfs/dbraw/zinc/33/90/63/1077339063.db2.gz DPVYLAPMTOARGK-CQSZACIVSA-N 0 0 420.466 2.296 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000744339428 1077369555 /nfs/dbraw/zinc/36/95/55/1077369555.db2.gz SKUTZOCTRALVOK-WDEREUQCSA-N 0 0 410.370 2.490 20 5 HEBDRN Cc1nn(C)c(C)c1CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000744379377 1077376036 /nfs/dbraw/zinc/37/60/36/1077376036.db2.gz MFJCQWWORALYQY-UHFFFAOYSA-N 0 0 414.203 2.480 20 5 HEBDRN O=C1[C@@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406308 1077382289 /nfs/dbraw/zinc/38/22/89/1077382289.db2.gz BNAKMTARHAVUKD-DYVFJYSZSA-N 0 0 412.406 2.190 20 5 HEBDRN CCc1nsc(N2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000744422705 1077385978 /nfs/dbraw/zinc/38/59/78/1077385978.db2.gz PUMNWNLYZCYOAE-UHFFFAOYSA-N 0 0 410.887 2.423 20 5 HEBDRN CCNc1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000744480402 1077411877 /nfs/dbraw/zinc/41/18/77/1077411877.db2.gz XXTIQWSPILHWAT-LBPRGKRZSA-N 0 0 401.423 2.412 20 5 HEBDRN COc1ccc(OCCOC(=O)Cc2nn(C)c(=O)c3ccccc23)c([N+](=O)[O-])c1 ZINC000744508498 1077425945 /nfs/dbraw/zinc/42/59/45/1077425945.db2.gz YEKXDVCDUZGRIK-UHFFFAOYSA-N 0 0 413.386 2.015 20 5 HEBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nnc(-c2cccc(F)c2)o1 ZINC000744579001 1077492559 /nfs/dbraw/zinc/49/25/59/1077492559.db2.gz ARQSMMUZOQOHDP-UHFFFAOYSA-N 0 0 414.305 2.435 20 5 HEBDRN Cn1c(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000744606854 1077496834 /nfs/dbraw/zinc/49/68/34/1077496834.db2.gz RMEUWISHTNFBRH-LBPRGKRZSA-N 0 0 400.160 2.218 20 5 HEBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)S1 ZINC000744608287 1077497990 /nfs/dbraw/zinc/49/79/90/1077497990.db2.gz ZFCAYIIPRICAAK-CYBMUJFWSA-N 0 0 400.464 2.030 20 5 HEBDRN C[C@@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744603502 1077513510 /nfs/dbraw/zinc/51/35/10/1077513510.db2.gz XEIOQZJZVGQNFH-CYBMUJFWSA-N 0 0 400.391 2.010 20 5 HEBDRN C[C@H](OC(=O)c1cccnc1N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744603503 1077513703 /nfs/dbraw/zinc/51/37/03/1077513703.db2.gz XEIOQZJZVGQNFH-ZDUSSCGKSA-N 0 0 400.391 2.010 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744666638 1077533019 /nfs/dbraw/zinc/53/30/19/1077533019.db2.gz YBALAYICJNQRIF-UHFFFAOYSA-N 0 0 408.455 2.134 20 5 HEBDRN CSCCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744667087 1077533102 /nfs/dbraw/zinc/53/31/02/1077533102.db2.gz NRKLTXQYUMIZSY-HNNXBMFYSA-N 0 0 402.494 2.434 20 5 HEBDRN Cc1nnc([C@@H](C)OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744667726 1077534157 /nfs/dbraw/zinc/53/41/57/1077534157.db2.gz ZCXJNOOGGWBRQL-ABAIWWIYSA-N 0 0 424.435 2.134 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000744653084 1077539331 /nfs/dbraw/zinc/53/93/31/1077539331.db2.gz XPHPNKHOSKRNST-CYBMUJFWSA-N 0 0 400.435 2.399 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000744693728 1077545952 /nfs/dbraw/zinc/54/59/52/1077545952.db2.gz HVWVMRFIWQCDCZ-AWEZNQCLSA-N 0 0 420.399 2.170 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000744721709 1077556092 /nfs/dbraw/zinc/55/60/92/1077556092.db2.gz FGGOVKZZCIBKHP-HNNXBMFYSA-N 0 0 402.407 2.063 20 5 HEBDRN COc1ccc(OCCOC(=O)c2sccc2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000744796261 1077596328 /nfs/dbraw/zinc/59/63/28/1077596328.db2.gz RZMDVLLGEZYGPK-UHFFFAOYSA-N 0 0 416.433 2.272 20 5 HEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ncc(-c2cccc(Br)c2)o1 ZINC000744826427 1077609278 /nfs/dbraw/zinc/60/92/78/1077609278.db2.gz WBHPXJVQLDXZQA-UHFFFAOYSA-N 0 0 408.168 2.347 20 5 HEBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000744870613 1077629468 /nfs/dbraw/zinc/62/94/68/1077629468.db2.gz YDGBZBZEEPKITI-IAQYHMDHSA-N 0 0 422.825 2.488 20 5 HEBDRN COc1cc(OCC(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)ccc1[N+](=O)[O-] ZINC000744872882 1077631438 /nfs/dbraw/zinc/63/14/38/1077631438.db2.gz LNFLPHFNEMHHMY-MRXNPFEDSA-N 0 0 424.406 2.104 20 5 HEBDRN Cc1c(C(=O)O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744900488 1077642219 /nfs/dbraw/zinc/64/22/19/1077642219.db2.gz ZVMLSRXMLMISNP-HNNXBMFYSA-N 0 0 417.378 2.206 20 5 HEBDRN Cc1c(C(=O)O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744900491 1077642237 /nfs/dbraw/zinc/64/22/37/1077642237.db2.gz ZVMLSRXMLMISNP-OAHLLOKOSA-N 0 0 417.378 2.206 20 5 HEBDRN COc1ccc(OCCOC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c([N+](=O)[O-])c1 ZINC000744954465 1077676173 /nfs/dbraw/zinc/67/61/73/1077676173.db2.gz OVLLDWJXWDFWGY-UHFFFAOYSA-N 0 0 416.390 2.133 20 5 HEBDRN C[C@@H](OC(=O)C1(O)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000744959006 1077678006 /nfs/dbraw/zinc/67/80/06/1077678006.db2.gz GGOHVYMZZKABEG-SECBINFHSA-N 0 0 406.313 2.025 20 5 HEBDRN C[C@H](OC(=O)C1(O)CCOCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000744960767 1077678032 /nfs/dbraw/zinc/67/80/32/1077678032.db2.gz NVNATYANAZFSMO-NSHDSACASA-N 0 0 421.431 2.130 20 5 HEBDRN O=C(OCc1nc(CC(F)(F)F)no1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000745026498 1077709181 /nfs/dbraw/zinc/70/91/81/1077709181.db2.gz CUVZHBIGRDFGCD-QMMMGPOBSA-N 0 0 418.284 2.024 20 5 HEBDRN CCCCCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745030595 1077710740 /nfs/dbraw/zinc/71/07/40/1077710740.db2.gz WNYGWEICQKHNBF-QWHCGFSZSA-N 0 0 411.480 2.499 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)c1ccccc1 ZINC000745030359 1077711027 /nfs/dbraw/zinc/71/10/27/1077711027.db2.gz UHUWQSFMQCWESK-DZGCQCFKSA-N 0 0 415.402 2.387 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC1CCCC1 ZINC000745030398 1077711042 /nfs/dbraw/zinc/71/10/42/1077711042.db2.gz VGXPSGNDHPHLCR-WCQYABFASA-N 0 0 409.464 2.251 20 5 HEBDRN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745030101 1077711392 /nfs/dbraw/zinc/71/13/92/1077711392.db2.gz SRKPOIVYFFAQLL-RWMBFGLXSA-N 0 0 411.480 2.497 20 5 HEBDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000745072685 1077719468 /nfs/dbraw/zinc/71/94/68/1077719468.db2.gz VJEPYZKQMUEXQK-CQSZACIVSA-N 0 0 421.450 2.105 20 5 HEBDRN Nc1ccccc1-n1ccc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000745059854 1077721866 /nfs/dbraw/zinc/72/18/66/1077721866.db2.gz HHHAHEBTBJNCGZ-GOSISDBHSA-N 0 0 407.386 2.325 20 5 HEBDRN O=C(NCc1noc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000745060640 1077722744 /nfs/dbraw/zinc/72/27/44/1077722744.db2.gz ALHMCYCLOOCMGZ-UHFFFAOYSA-N 0 0 415.431 2.473 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000745109353 1077744251 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C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000771988207 1079632980 /nfs/dbraw/zinc/63/29/80/1079632980.db2.gz HAKQVAUYKTYVHE-VXGBXAGGSA-N 0 0 400.457 2.056 20 5 HEBDRN C[C@H](NC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000772056392 1079676000 /nfs/dbraw/zinc/67/60/00/1079676000.db2.gz CPPDPTKSGCZTJU-VIFPVBQESA-N 0 0 416.312 2.261 20 5 HEBDRN CC(C)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000772062898 1079705143 /nfs/dbraw/zinc/70/51/43/1079705143.db2.gz XYRZABZROIOXQY-DYVFJYSZSA-N 0 0 402.407 2.150 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)n1 ZINC000767173534 1079708310 /nfs/dbraw/zinc/70/83/10/1079708310.db2.gz JKWNLQINLFNTAN-UHFFFAOYSA-N 0 0 418.454 2.281 20 5 HEBDRN C[C@@H]1CCc2c(sc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)c2C(N)=O)C1 ZINC000767213199 1079741809 /nfs/dbraw/zinc/74/18/09/1079741809.db2.gz NAGQSQMLCKBLRO-MRVPVSSYSA-N 0 0 424.866 2.334 20 5 HEBDRN 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COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766772229 1079355264 /nfs/dbraw/zinc/35/52/64/1079355264.db2.gz OAOGAFQOBFCROX-RDJZCZTQSA-N 0 0 403.439 2.135 20 5 HEBDRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3c([N+](=O)[O-])cnn3C)C2=O)cc1 ZINC000766777970 1079359962 /nfs/dbraw/zinc/35/99/62/1079359962.db2.gz YGILQMMPSQQBOC-NTEUORMPSA-N 0 0 415.431 2.103 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CCc3ccncc3)CC2)cc1OC ZINC001169665898 1079361218 /nfs/dbraw/zinc/36/12/18/1079361218.db2.gz KFVXRSURACEFRC-UHFFFAOYSA-N 0 0 414.462 2.398 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771514380 1079368700 /nfs/dbraw/zinc/36/87/00/1079368700.db2.gz SFDPJGAJPGLBGS-LFDOHDQPSA-N 0 0 416.482 2.169 20 5 HEBDRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771519089 1079369861 /nfs/dbraw/zinc/36/98/61/1079369861.db2.gz CDBJYBKDYUHAES-NSHDSACASA-N 0 0 419.369 2.413 20 5 HEBDRN 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Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766851900 1079438549 /nfs/dbraw/zinc/43/85/49/1079438549.db2.gz WOZSZIOVXRNFJR-DOTOQJQBSA-N 0 0 408.480 2.222 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1C ZINC000766851711 1079438574 /nfs/dbraw/zinc/43/85/74/1079438574.db2.gz MEIDYCOZUHEHAS-NVXWUHKLSA-N 0 0 408.480 2.222 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000771682504 1079448154 /nfs/dbraw/zinc/44/81/54/1079448154.db2.gz AHKXVORNYGZUHF-NSPYISDASA-N 0 0 406.366 2.172 20 5 HEBDRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001169852868 1079448147 /nfs/dbraw/zinc/44/81/47/1079448147.db2.gz UAMXZHVNOXGMAE-SNVBAGLBSA-N 0 0 409.386 2.015 20 5 HEBDRN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879412 1079452564 /nfs/dbraw/zinc/45/25/64/1079452564.db2.gz IKQXTJVLMYWCJD-IUODEOHRSA-N 0 0 403.273 2.203 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000771733692 1079470744 /nfs/dbraw/zinc/47/07/44/1079470744.db2.gz DNTFYUMSEKFVLH-JEOXALJRSA-N 0 0 406.366 2.172 20 5 HEBDRN Cc1csc(N2CCN(S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2)n1 ZINC000771734852 1079471260 /nfs/dbraw/zinc/47/12/60/1079471260.db2.gz XNUFBFGPMLHQST-UHFFFAOYSA-N 0 0 400.457 2.318 20 5 HEBDRN C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000771739714 1079474389 /nfs/dbraw/zinc/47/43/89/1079474389.db2.gz RSGVEMYERNYAIL-QGHHPUGFSA-N 0 0 409.801 2.355 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737476338 1075910301 /nfs/dbraw/zinc/91/03/01/1075910301.db2.gz UMSVPGINISYUAL-UHFFFAOYSA-N 0 0 408.392 2.071 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCCCn2nc3ccccn3c2=O)cc1OC ZINC000737337628 1075949169 /nfs/dbraw/zinc/94/91/69/1075949169.db2.gz MBNBKGDKTRJIIK-UHFFFAOYSA-N 0 0 416.390 2.059 20 5 HEBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCO4)CC2)cc1 ZINC000771726897 1079494337 /nfs/dbraw/zinc/49/43/37/1079494337.db2.gz VVMPWYJZXNOYGV-UHFFFAOYSA-N 0 0 403.460 2.431 20 5 HEBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000766234562 1075971764 /nfs/dbraw/zinc/97/17/64/1075971764.db2.gz IECONMHSVADVEP-NSHDSACASA-N 0 0 412.244 2.379 20 5 HEBDRN COC(=O)c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C(=O)OC)c1 ZINC000766896683 1079500230 /nfs/dbraw/zinc/50/02/30/1079500230.db2.gz RDIFNDKTZDBWBQ-UHFFFAOYSA-N 0 0 413.430 2.490 20 5 HEBDRN CC[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000738635204 1076011052 /nfs/dbraw/zinc/01/10/52/1076011052.db2.gz MZROXAMKHZETGK-QGZVFWFLSA-N 0 0 420.443 2.468 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000738696288 1076016295 /nfs/dbraw/zinc/01/62/95/1076016295.db2.gz FOJOYHQQTLILFH-UHFFFAOYSA-N 0 0 416.365 2.367 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771780384 1079501290 /nfs/dbraw/zinc/50/12/90/1079501290.db2.gz MUCDOEOJYAFUSA-KBPBESRZSA-N 0 0 403.476 2.210 20 5 HEBDRN O=C(COC(=O)c1cc(N2CCNC2=O)ccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000738699167 1076016924 /nfs/dbraw/zinc/01/69/24/1076016924.db2.gz NABKZCWETOZNRJ-UHFFFAOYSA-N 0 0 420.328 2.198 20 5 HEBDRN O=C(COC(=O)c1cc(N2CCNC2=O)ccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000738700521 1076017391 /nfs/dbraw/zinc/01/73/91/1076017391.db2.gz XXNYUGKAOCANHO-UHFFFAOYSA-N 0 0 402.338 2.059 20 5 HEBDRN Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739119643 1076046041 /nfs/dbraw/zinc/04/60/41/1076046041.db2.gz FLTNVBVSNKVMDT-UHFFFAOYSA-N 0 0 408.798 2.024 20 5 HEBDRN NC(=O)[C@H]1CC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000739589443 1076064698 /nfs/dbraw/zinc/06/46/98/1076064698.db2.gz NNGPZCNBYOMTEV-LJQANCHMSA-N 0 0 409.446 2.154 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000739971778 1076089161 /nfs/dbraw/zinc/08/91/61/1076089161.db2.gz JJCKXCRIKREHDC-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000739949464 1076095897 /nfs/dbraw/zinc/09/58/97/1076095897.db2.gz JBPIRHHXZYEMBM-UHFFFAOYSA-N 0 0 418.880 2.142 20 5 HEBDRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000740153029 1076111386 /nfs/dbraw/zinc/11/13/86/1076111386.db2.gz JZJFJBBDZUSKHC-CQSZACIVSA-N 0 0 418.793 2.359 20 5 HEBDRN COc1ccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000740158613 1076114371 /nfs/dbraw/zinc/11/43/71/1076114371.db2.gz WPQMCNCCZAXHGD-AWEZNQCLSA-N 0 0 408.794 2.491 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000740186059 1076119863 /nfs/dbraw/zinc/11/98/63/1076119863.db2.gz WUHGDFUAEJJYQZ-INIZCTEOSA-N 0 0 417.805 2.327 20 5 HEBDRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000740239981 1076131031 /nfs/dbraw/zinc/13/10/31/1076131031.db2.gz ZYPQWKVBQKUYKJ-JTQLQIEISA-N 0 0 424.435 2.217 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000766253054 1076159879 /nfs/dbraw/zinc/15/98/79/1076159879.db2.gz DAMSEAPXTOOCQC-QGZVFWFLSA-N 0 0 424.457 2.458 20 5 HEBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NC[C@@H]1CCCO1 ZINC000740423708 1076167657 /nfs/dbraw/zinc/16/76/57/1076167657.db2.gz UZWZPXQMAYSPAU-ONGXEEELSA-N 0 0 401.213 2.198 20 5 HEBDRN COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000740790668 1076238720 /nfs/dbraw/zinc/23/87/20/1076238720.db2.gz NWZJAXQWMWUHHL-UHFFFAOYSA-N 0 0 414.374 2.110 20 5 HEBDRN COC(=O)c1ccc2c(cnn2CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740860715 1076270850 /nfs/dbraw/zinc/27/08/50/1076270850.db2.gz ICTTZIBWOZVAGK-UHFFFAOYSA-N 0 0 423.429 2.147 20 5 HEBDRN CN(C)c1nn(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 ZINC000740862621 1076273510 /nfs/dbraw/zinc/27/35/10/1076273510.db2.gz ZGSDJRMFNVXDSY-UHFFFAOYSA-N 0 0 408.509 2.064 20 5 HEBDRN CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000740927349 1076308401 /nfs/dbraw/zinc/30/84/01/1076308401.db2.gz ZFDGJPZLZKQWBK-IBGZPJMESA-N 0 0 411.418 2.426 20 5 HEBDRN C[C@](O)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000740938518 1076315989 /nfs/dbraw/zinc/31/59/89/1076315989.db2.gz KMKRIZPCRKVZQB-SFHVURJKSA-N 0 0 405.432 2.368 20 5 HEBDRN O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](O)CCc1ccccc1 ZINC000741003511 1076325352 /nfs/dbraw/zinc/32/53/52/1076325352.db2.gz FABQVOMPMZQFRO-QGZVFWFLSA-N 0 0 400.387 2.430 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCCC1 ZINC000741013056 1076328832 /nfs/dbraw/zinc/32/88/32/1076328832.db2.gz BXWRNPJFWJPJKH-IBGZPJMESA-N 0 0 421.450 2.358 20 5 HEBDRN C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000741158125 1076389953 /nfs/dbraw/zinc/38/99/53/1076389953.db2.gz DUFFSECVRIPHLG-SNVBAGLBSA-N 0 0 423.285 2.425 20 5 HEBDRN COC(=O)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000741195494 1076412596 /nfs/dbraw/zinc/41/25/96/1076412596.db2.gz NJTFOVQNGIUOSK-UHFFFAOYSA-N 0 0 406.176 2.271 20 5 HEBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000065309182 1076463876 /nfs/dbraw/zinc/46/38/76/1076463876.db2.gz ACFAHAQDLILADZ-AWEZNQCLSA-N 0 0 401.448 2.348 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000766268182 1076469987 /nfs/dbraw/zinc/46/99/87/1076469987.db2.gz DAGPLEDOCAYWQC-PWSUYJOCSA-N 0 0 419.887 2.273 20 5 HEBDRN NC(=O)c1ccc(COC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352473 1076493173 /nfs/dbraw/zinc/49/31/73/1076493173.db2.gz HIXNQPCOXOENAG-GOSISDBHSA-N 0 0 413.430 2.028 20 5 HEBDRN O=C(COC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000741356374 1076495168 /nfs/dbraw/zinc/49/51/68/1076495168.db2.gz QLRPFXVRQKPFLA-KRWDZBQOSA-N 0 0 413.430 2.368 20 5 HEBDRN O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000741605205 1076563051 /nfs/dbraw/zinc/56/30/51/1076563051.db2.gz XQIGBNSOXMQMNU-GFCCVEGCSA-N 0 0 405.357 2.283 20 5 HEBDRN CCCN1C(=S)N[C@@H](c2cn(C)nn2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C ZINC000741646325 1076568559 /nfs/dbraw/zinc/56/85/59/1076568559.db2.gz AFNSLIFHIDAGLI-INIZCTEOSA-N 0 0 415.479 2.277 20 5 HEBDRN CCOC(=O)c1cc(C(=O)Oc2ccc(O[C@H](C)C(N)=O)cc2)cc([N+](=O)[O-])c1 ZINC000741630180 1076571905 /nfs/dbraw/zinc/57/19/05/1076571905.db2.gz GVOYVDLROUCREJ-LLVKDONJSA-N 0 0 402.359 2.243 20 5 HEBDRN COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc21 ZINC000741655488 1076577790 /nfs/dbraw/zinc/57/77/90/1076577790.db2.gz YOKCDWQPAQQCKZ-LBPRGKRZSA-N 0 0 406.416 2.459 20 5 HEBDRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC2 ZINC000741734028 1076613714 /nfs/dbraw/zinc/61/37/14/1076613714.db2.gz DPTQCSKOKUOPER-YHYXMXQVSA-N 0 0 401.444 2.496 20 5 HEBDRN Nn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccccc1Br ZINC000741736487 1076614733 /nfs/dbraw/zinc/61/47/33/1076614733.db2.gz TUCSAAZJFJZYDA-UHFFFAOYSA-N 0 0 410.257 2.318 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1 ZINC000741754362 1076620054 /nfs/dbraw/zinc/62/00/54/1076620054.db2.gz HHDFMJYCYAUJTL-GFCCVEGCSA-N 0 0 423.285 2.221 20 5 HEBDRN Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2=O)cc1 ZINC000742135571 1076751065 /nfs/dbraw/zinc/75/10/65/1076751065.db2.gz LMYNRKPVPMRUHH-KRWDZBQOSA-N 0 0 411.414 2.406 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1OC ZINC000742191825 1076779698 /nfs/dbraw/zinc/77/96/98/1076779698.db2.gz LGEVMNWVAWLTMD-GFCCVEGCSA-N 0 0 408.480 2.251 20 5 HEBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000742201323 1076789101 /nfs/dbraw/zinc/78/91/01/1076789101.db2.gz HBVUNVVIMDLJPH-UHFFFAOYSA-N 0 0 402.373 2.314 20 5 HEBDRN NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742271208 1076807263 /nfs/dbraw/zinc/80/72/63/1076807263.db2.gz UGSKKPMFKUVUAF-UHFFFAOYSA-N 0 0 401.194 2.224 20 5 HEBDRN COc1cc(Br)c(C=O)cc1OS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742269042 1076811705 /nfs/dbraw/zinc/81/17/05/1076811705.db2.gz PVINCNUDZUTLEM-UHFFFAOYSA-N 0 0 417.193 2.341 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000742301349 1076811992 /nfs/dbraw/zinc/81/19/92/1076811992.db2.gz DKOLXKGHJVPQMR-SNVBAGLBSA-N 0 0 419.175 2.309 20 5 HEBDRN CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000742294106 1076819443 /nfs/dbraw/zinc/81/94/43/1076819443.db2.gz WCLAWFHDTYAXFF-UHFFFAOYSA-N 0 0 400.457 2.106 20 5 HEBDRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742295028 1076820018 /nfs/dbraw/zinc/82/00/18/1076820018.db2.gz PMLPBUALTLGWNF-LBPRGKRZSA-N 0 0 402.473 2.208 20 5 HEBDRN C[C@H](CN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742302120 1076822845 /nfs/dbraw/zinc/82/28/45/1076822845.db2.gz GPKMRHQOSMITIW-OAHLLOKOSA-N 0 0 422.482 2.223 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000742340560 1076826547 /nfs/dbraw/zinc/82/65/47/1076826547.db2.gz IMSWRCFXMGIXCY-AWEZNQCLSA-N 0 0 403.888 2.124 20 5 HEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000742340563 1076826582 /nfs/dbraw/zinc/82/65/82/1076826582.db2.gz IMSWRCFXMGIXCY-CQSZACIVSA-N 0 0 403.888 2.124 20 5 HEBDRN CNS(=O)(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000742406505 1076835231 /nfs/dbraw/zinc/83/52/31/1076835231.db2.gz XSGAJMRTZKIZCN-SECBINFHSA-N 0 0 412.346 2.040 20 5 HEBDRN CCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000742428312 1076836324 /nfs/dbraw/zinc/83/63/24/1076836324.db2.gz GFZGKXFXXBWCBM-LLVKDONJSA-N 0 0 405.842 2.210 20 5 HEBDRN O=[N+]([O-])c1ccc(NCC[C@H](O)c2ccccc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000742427608 1076837710 /nfs/dbraw/zinc/83/77/10/1076837710.db2.gz MVQNKZUMWVFEHZ-SFHVURJKSA-N 0 0 421.475 2.151 20 5 HEBDRN O=C(NCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccc(O)c1 ZINC000742400260 1076837840 /nfs/dbraw/zinc/83/78/40/1076837840.db2.gz CMZAPDFSKGRGCK-UHFFFAOYSA-N 0 0 400.391 2.489 20 5 HEBDRN O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742474329 1076842861 /nfs/dbraw/zinc/84/28/61/1076842861.db2.gz VNPWPMMLQSFNBM-UHFFFAOYSA-N 0 0 407.430 2.155 20 5 HEBDRN CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742648202 1076857759 /nfs/dbraw/zinc/85/77/59/1076857759.db2.gz LHQFYAAEUVTKEJ-UHFFFAOYSA-N 0 0 424.273 2.160 20 5 HEBDRN CN(CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[N+](=O)[O-] ZINC000742686595 1076866920 /nfs/dbraw/zinc/86/69/20/1076866920.db2.gz AQMLDHNVYPWFMT-CYBMUJFWSA-N 0 0 400.395 2.047 20 5 HEBDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000742734343 1076871851 /nfs/dbraw/zinc/87/18/51/1076871851.db2.gz BVNAMCMHQXHJTM-WHWKNOJMSA-N 0 0 404.448 2.420 20 5 HEBDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000742734340 1076871856 /nfs/dbraw/zinc/87/18/56/1076871856.db2.gz BVNAMCMHQXHJTM-CDVVCGDMSA-N 0 0 404.448 2.420 20 5 HEBDRN Nc1c(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cc(F)cc1[N+](=O)[O-] ZINC000742796203 1076880946 /nfs/dbraw/zinc/88/09/46/1076880946.db2.gz PJOWZGTVKMNVCF-UHFFFAOYSA-N 0 0 400.366 2.471 20 5 HEBDRN O=C(c1ccc([C@H]2CCC(=O)N2)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129327000 1076887289 /nfs/dbraw/zinc/88/72/89/1076887289.db2.gz UVDNFNSRIUSCMA-GOSISDBHSA-N 0 0 422.441 2.144 20 5 HEBDRN O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000742879780 1076888334 /nfs/dbraw/zinc/88/83/34/1076888334.db2.gz HXAMDXKYERMDMO-UHFFFAOYSA-N 0 0 410.404 2.208 20 5 HEBDRN O=C(NCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OCC(F)(F)F ZINC000742872815 1076890584 /nfs/dbraw/zinc/89/05/84/1076890584.db2.gz IJNZEFMJXQORLH-UHFFFAOYSA-N 0 0 405.329 2.253 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000742994821 1076915423 /nfs/dbraw/zinc/91/54/23/1076915423.db2.gz GEADOHYVXCIFRB-GFCCVEGCSA-N 0 0 406.416 2.491 20 5 HEBDRN CS(=O)(=O)CCOc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000743134943 1076971992 /nfs/dbraw/zinc/97/19/92/1076971992.db2.gz ISRXUBRLORVKQN-UHFFFAOYSA-N 0 0 407.448 2.382 20 5 HEBDRN C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000743197299 1077003927 /nfs/dbraw/zinc/00/39/27/1077003927.db2.gz KRRBYQPNZUPDGV-YPMHNXCESA-N 0 0 404.350 2.235 20 5 HEBDRN CCO[C@H](C)c1noc(CN(C)Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)n1 ZINC000743371864 1077034630 /nfs/dbraw/zinc/03/46/30/1077034630.db2.gz VUZGNNIOCCWSBF-CQSZACIVSA-N 0 0 416.438 2.426 20 5 HEBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCOC[C@@H]2c2ccccc2)C1=O ZINC000743403982 1077043909 /nfs/dbraw/zinc/04/39/09/1077043909.db2.gz ZABVHVFTBIOVPL-NQIIRXRSSA-N 0 0 410.430 2.393 20 5 HEBDRN CCO[C@@H](C)c1noc(CN2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000743378718 1077045445 /nfs/dbraw/zinc/04/54/45/1077045445.db2.gz ZHIUIECJBUOKOP-AWEZNQCLSA-N 0 0 415.454 2.200 20 5 HEBDRN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000737502382 1077048392 /nfs/dbraw/zinc/04/83/92/1077048392.db2.gz WCZBUDPWOAPURY-LBPRGKRZSA-N 0 0 423.403 2.428 20 5 HEBDRN Nn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1[C@@H]1CCCCO1 ZINC000743458751 1077054167 /nfs/dbraw/zinc/05/41/67/1077054167.db2.gz YVVLMIQZCYHMBS-AWEZNQCLSA-N 0 0 420.451 2.232 20 5 HEBDRN Nn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1[C@@H]1CCCCO1 ZINC000743460072 1077054341 /nfs/dbraw/zinc/05/43/41/1077054341.db2.gz NQZIKHGBBCBCLK-LBPRGKRZSA-N 0 0 403.424 2.484 20 5 HEBDRN Nn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1[C@@H]1CCCCO1 ZINC000743459351 1077054384 /nfs/dbraw/zinc/05/43/84/1077054384.db2.gz FFPWEOOAWPYPTB-KBPBESRZSA-N 0 0 404.452 2.039 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000743622560 1077076610 /nfs/dbraw/zinc/07/66/10/1077076610.db2.gz SYJXZRPSAFNAEI-UHFFFAOYSA-N 0 0 422.467 2.488 20 5 HEBDRN C[C@H](Nc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000743643709 1077079322 /nfs/dbraw/zinc/07/93/22/1077079322.db2.gz KFWXNSZXTRNHAO-DJJJIMSYSA-N 0 0 410.434 2.360 20 5 HEBDRN C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccco1 ZINC000743653970 1077087815 /nfs/dbraw/zinc/08/78/15/1077087815.db2.gz LDXAFJMXVYWTTP-CQSZACIVSA-N 0 0 416.171 2.430 20 5 HEBDRN O=Cc1ccc(OCC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000743764063 1077117480 /nfs/dbraw/zinc/11/74/80/1077117480.db2.gz IWHJFCRIQQFFPC-KRWDZBQOSA-N 0 0 412.320 2.352 20 5 HEBDRN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000743953656 1077260982 /nfs/dbraw/zinc/26/09/82/1077260982.db2.gz DVXYWELILNVXPJ-IAQYHMDHSA-N 0 0 416.821 2.497 20 5 HEBDRN Cc1c(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000744148736 1077331022 /nfs/dbraw/zinc/33/10/22/1077331022.db2.gz SCQAEXGAWRXYJX-UHFFFAOYSA-N 0 0 401.375 2.383 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)Cn3ccccc3=O)CC2)ccc1[N+](=O)[O-] ZINC000744199970 1077338804 /nfs/dbraw/zinc/33/88/04/1077338804.db2.gz BBYRPIGZIIDPQI-UHFFFAOYSA-N 0 0 401.419 2.367 20 5 HEBDRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000744243296 1077348564 /nfs/dbraw/zinc/34/85/64/1077348564.db2.gz CNZBPHBSLHIAGX-UHFFFAOYSA-N 0 0 403.258 2.302 20 5 HEBDRN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000737512794 1077351550 /nfs/dbraw/zinc/35/15/50/1077351550.db2.gz XSCAFBUVOPCKOZ-GFCCVEGCSA-N 0 0 422.419 2.001 20 5 HEBDRN O=C(NCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000744293019 1077357791 /nfs/dbraw/zinc/35/77/91/1077357791.db2.gz BNNKLPDKGKMEFC-CQSZACIVSA-N 0 0 417.443 2.234 20 5 HEBDRN CCOC(=O)COc1ccc(OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC000744274292 1077361236 /nfs/dbraw/zinc/36/12/36/1077361236.db2.gz CNLGRRYTLUUNAS-UHFFFAOYSA-N 0 0 423.399 2.159 20 5 HEBDRN CC(=O)c1ccc(O)c(CCOC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000744456509 1077399837 /nfs/dbraw/zinc/39/98/37/1077399837.db2.gz GHMWPJITJNPARG-UHFFFAOYSA-N 0 0 407.400 2.306 20 5 HEBDRN COC(=O)c1cc(C(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc([N+](=O)[O-])c1 ZINC000744489239 1077414678 /nfs/dbraw/zinc/41/46/78/1077414678.db2.gz HSSCPUPZOHVSSU-OAHLLOKOSA-N 0 0 422.390 2.117 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1OC ZINC000744520292 1077436344 /nfs/dbraw/zinc/43/63/44/1077436344.db2.gz HCCASLNKRHRXOB-HNNXBMFYSA-N 0 0 418.406 2.088 20 5 HEBDRN O=C(Cn1ccc(=O)c2ccccc21)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000744525062 1077440851 /nfs/dbraw/zinc/44/08/51/1077440851.db2.gz ZEHPREFSPJRUIH-UHFFFAOYSA-N 0 0 407.382 2.042 20 5 HEBDRN O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000744565814 1077451952 /nfs/dbraw/zinc/45/19/52/1077451952.db2.gz YIROPVMXNWDOJB-UHFFFAOYSA-N 0 0 416.434 2.216 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000744541279 1077454580 /nfs/dbraw/zinc/45/45/80/1077454580.db2.gz CIOBVZZXLLQKCC-CYBMUJFWSA-N 0 0 401.423 2.168 20 5 HEBDRN CCOc1ccccc1OCCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744547257 1077459705 /nfs/dbraw/zinc/45/97/05/1077459705.db2.gz OSADWSFPXGYWAY-UHFFFAOYSA-N 0 0 414.370 2.212 20 5 HEBDRN Cc1nc(C)c(COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000744573400 1077487474 /nfs/dbraw/zinc/48/74/74/1077487474.db2.gz JKFIUBCKWIRGON-UHFFFAOYSA-N 0 0 419.868 2.343 20 5 HEBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)c1cnn(-c2ccccc2)c1 ZINC000744579063 1077493223 /nfs/dbraw/zinc/49/32/23/1077493223.db2.gz CPRWFWAADCHSQS-UHFFFAOYSA-N 0 0 422.353 2.115 20 5 HEBDRN Cc1c(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744609304 1077498953 /nfs/dbraw/zinc/49/89/53/1077498953.db2.gz OIFFHGQOQDEGQH-JTQLQIEISA-N 0 0 407.452 2.369 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000744615345 1077503911 /nfs/dbraw/zinc/50/39/11/1077503911.db2.gz XEKNLYUIMJRASH-ZWKOTPCHSA-N 0 0 401.419 2.263 20 5 HEBDRN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744615455 1077504079 /nfs/dbraw/zinc/50/40/79/1077504079.db2.gz RSXZJMDMVGKRIK-BBRMVZONSA-N 0 0 416.434 2.497 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744663177 1077530771 /nfs/dbraw/zinc/53/07/71/1077530771.db2.gz OOGMYYNTLMUIER-UHFFFAOYSA-N 0 0 404.427 2.209 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000744664563 1077532240 /nfs/dbraw/zinc/53/22/40/1077532240.db2.gz HWWLDKURVGENPW-GFCCVEGCSA-N 0 0 418.406 2.235 20 5 HEBDRN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744667848 1077534388 /nfs/dbraw/zinc/53/43/88/1077534388.db2.gz CVNSOFYEELHTMQ-HNNXBMFYSA-N 0 0 403.439 2.412 20 5 HEBDRN COC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000744668720 1077535018 /nfs/dbraw/zinc/53/50/18/1077535018.db2.gz ODJSDSKIGHDDPA-AWEZNQCLSA-N 0 0 407.423 2.463 20 5 HEBDRN CCc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnc2ncnn21 ZINC000744707136 1077561722 /nfs/dbraw/zinc/56/17/22/1077561722.db2.gz UKWYLJXVJZFCBK-VIFPVBQESA-N 0 0 418.797 2.432 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000744818516 1077588319 /nfs/dbraw/zinc/58/83/19/1077588319.db2.gz WFTGKQNMAWDMJN-MRXNPFEDSA-N 0 0 408.407 2.485 20 5 HEBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000744800398 1077598017 /nfs/dbraw/zinc/59/80/17/1077598017.db2.gz WDRHGXGNBWUGQE-UHFFFAOYSA-N 0 0 400.347 2.366 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744878975 1077649693 /nfs/dbraw/zinc/64/96/93/1077649693.db2.gz GIMGILACSHYTOC-ZDUSSCGKSA-N 0 0 424.417 2.165 20 5 HEBDRN CS(=O)(=O)Cc1nc(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cs1 ZINC000744881980 1077650658 /nfs/dbraw/zinc/65/06/58/1077650658.db2.gz SFSOLPJVXAXVHB-UHFFFAOYSA-N 0 0 409.445 2.294 20 5 HEBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744887363 1077652565 /nfs/dbraw/zinc/65/25/65/1077652565.db2.gz OVMYVLHISNILAO-UHFFFAOYSA-N 0 0 421.498 2.289 20 5 HEBDRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000744924647 1077653454 /nfs/dbraw/zinc/65/34/54/1077653454.db2.gz NJTJJYJQXMGCSK-STQMWFEESA-N 0 0 404.423 2.344 20 5 HEBDRN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000744924817 1077653959 /nfs/dbraw/zinc/65/39/59/1077653959.db2.gz QAJWGWSJMLNHLK-NSHDSACASA-N 0 0 406.395 2.114 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000744926880 1077655029 /nfs/dbraw/zinc/65/50/29/1077655029.db2.gz CVHHSRDWBKIHMS-KDOFPFPSSA-N 0 0 417.462 2.498 20 5 HEBDRN C[C@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000744909309 1077661957 /nfs/dbraw/zinc/66/19/57/1077661957.db2.gz GTGIDQMJXCPQHA-JTQLQIEISA-N 0 0 418.855 2.476 20 5 HEBDRN COc1ccc(OCCOC(=O)c2ccc(-n3cnnn3)cc2Cl)c([N+](=O)[O-])c1 ZINC000744958838 1077678104 /nfs/dbraw/zinc/67/81/04/1077678104.db2.gz CHTAOJYZTLRQLW-UHFFFAOYSA-N 0 0 419.781 2.468 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1nc(CC(F)(F)F)no1 ZINC000744988986 1077696636 /nfs/dbraw/zinc/69/66/36/1077696636.db2.gz ARFNOXFVPXTXAM-UHFFFAOYSA-N 0 0 422.703 2.209 20 5 HEBDRN Cc1ccc(N2CC[C@H](OC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2=O)cc1 ZINC000745000065 1077702567 /nfs/dbraw/zinc/70/25/67/1077702567.db2.gz VWWCFPKRMYGLCC-SFHVURJKSA-N 0 0 407.386 2.446 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCC(C)CC1 ZINC000745030356 1077711126 /nfs/dbraw/zinc/71/11/26/1077711126.db2.gz UHAWNODVJNZHDF-JYVUQVBGSA-N 0 0 421.450 2.419 20 5 HEBDRN COc1cccc(CCCOC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 ZINC000745055534 1077715061 /nfs/dbraw/zinc/71/50/61/1077715061.db2.gz QLJGDZHZBDNYDS-UHFFFAOYSA-N 0 0 408.432 2.349 20 5 HEBDRN C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745073873 1077719490 /nfs/dbraw/zinc/71/94/90/1077719490.db2.gz LMGBICAOGGEGOA-SECBINFHSA-N 0 0 405.329 2.192 20 5 HEBDRN C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745073874 1077719971 /nfs/dbraw/zinc/71/99/71/1077719971.db2.gz LMGBICAOGGEGOA-VIFPVBQESA-N 0 0 405.329 2.192 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@](C)(O)Cc1ccccc1 ZINC000745142975 1077754258 /nfs/dbraw/zinc/75/42/58/1077754258.db2.gz YIVLHWAOOOEMEY-RNODOKPDSA-N 0 0 402.403 2.467 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745277169 1077801284 /nfs/dbraw/zinc/80/12/84/1077801284.db2.gz SAIPIURABXTCEE-SGTLLEGYSA-N 0 0 400.435 2.472 20 5 HEBDRN Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000745335885 1077805454 /nfs/dbraw/zinc/80/54/54/1077805454.db2.gz WEEYVSNHZABEDD-UHFFFAOYSA-N 0 0 419.821 2.397 20 5 HEBDRN COC(=O)Nc1ccc(CNC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000745331126 1077808540 /nfs/dbraw/zinc/80/85/40/1077808540.db2.gz CJHGXWHSRVWYKU-UHFFFAOYSA-N 0 0 401.375 2.175 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1OC ZINC000771783044 1079504273 /nfs/dbraw/zinc/50/42/73/1079504273.db2.gz ZOXBLBRJKKYDRY-UHFFFAOYSA-N 0 0 415.351 2.305 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000771785213 1079505010 /nfs/dbraw/zinc/50/50/10/1079505010.db2.gz LDFKYCADNYCAAP-CQSZACIVSA-N 0 0 424.475 2.356 20 5 HEBDRN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000771790004 1079508414 /nfs/dbraw/zinc/50/84/14/1079508414.db2.gz WFOJCJXKEHEGEV-NEPJUHHUSA-N 0 0 400.457 2.008 20 5 HEBDRN O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766932531 1079512097 /nfs/dbraw/zinc/51/20/97/1079512097.db2.gz NNGXBWNOCBZXRI-ZUZCIYMTSA-N 0 0 416.308 2.372 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCCN2C(=O)COc3ccccc32)cc([N+](=O)[O-])c1F ZINC000771761950 1079515986 /nfs/dbraw/zinc/51/59/86/1079515986.db2.gz LWPQJEWUNVTIDV-UHFFFAOYSA-N 0 0 423.422 2.136 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCCN2CCCCC2=O)ccc1[N+](=O)[O-] ZINC000766952379 1079518243 /nfs/dbraw/zinc/51/82/43/1079518243.db2.gz RPKYBZRASXTTFO-GOSISDBHSA-N 0 0 417.462 2.454 20 5 HEBDRN COc1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000766956193 1079521086 /nfs/dbraw/zinc/52/10/86/1079521086.db2.gz FUYGVJBVEFQZAH-UHFFFAOYSA-N 0 0 415.314 2.384 20 5 HEBDRN Cn1ncnc1-c1cccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC000766962589 1079526598 /nfs/dbraw/zinc/52/65/98/1079526598.db2.gz YGTLYTNUDFHFQD-UHFFFAOYSA-N 0 0 421.369 2.263 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963221 1079559905 /nfs/dbraw/zinc/55/99/05/1079559905.db2.gz ZJXGKTIPNUFMMK-DHSIGJKJSA-N 0 0 417.466 2.252 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000766970022 1079565817 /nfs/dbraw/zinc/56/58/17/1079565817.db2.gz ZKODBEZKNYVHGU-UHFFFAOYSA-N 0 0 417.256 2.051 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000766973771 1079568760 /nfs/dbraw/zinc/56/87/60/1079568760.db2.gz TYNDDWQZPZJGIU-GFCCVEGCSA-N 0 0 414.296 2.189 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCc1noc(Cc2ccc(Br)cc2)n1 ZINC000766972985 1079569869 /nfs/dbraw/zinc/56/98/69/1079569869.db2.gz PQHNMZPTTOTCPH-UHFFFAOYSA-N 0 0 422.195 2.422 20 5 HEBDRN CS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000771924553 1079574869 /nfs/dbraw/zinc/57/48/69/1079574869.db2.gz NMLXWEJNDTZOIU-OAHLLOKOSA-N 0 0 415.537 2.338 20 5 HEBDRN COC(=O)CNC(=O)c1ccc(N[C@@H](C)C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771925458 1079575931 /nfs/dbraw/zinc/57/59/31/1079575931.db2.gz KKYOCQQCWBOHRP-UGSOOPFHSA-N 0 0 401.419 2.422 20 5 HEBDRN C[C@H](OC(=O)c1csc(S(C)(=O)=O)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000767048318 1079605137 /nfs/dbraw/zinc/60/51/37/1079605137.db2.gz YHMABDLXLBJNBB-QMMMGPOBSA-N 0 0 416.408 2.383 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000767054347 1079628212 /nfs/dbraw/zinc/62/82/12/1079628212.db2.gz BUNCPPHOBLCQPL-UHFFFAOYSA-N 0 0 409.401 2.467 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000767057518 1079630581 /nfs/dbraw/zinc/63/05/81/1079630581.db2.gz OCMUXGWQIDEGLD-UHFFFAOYSA-N 0 0 403.351 2.377 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCCCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000772061496 1079658301 /nfs/dbraw/zinc/65/83/01/1079658301.db2.gz XUKHEZBJGIHPLR-UHFFFAOYSA-N 0 0 400.391 2.342 20 5 HEBDRN CC(=O)C[C@@H](C)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000767094671 1079673917 /nfs/dbraw/zinc/67/39/17/1079673917.db2.gz GKSOWGRGKOSGJL-GFCCVEGCSA-N 0 0 406.416 2.460 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000772055751 1079674623 /nfs/dbraw/zinc/67/46/23/1079674623.db2.gz GWLPEEPLGJDLSF-UHFFFAOYSA-N 0 0 417.256 2.051 20 5 HEBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772058636 1079676689 /nfs/dbraw/zinc/67/66/89/1079676689.db2.gz LWMQHNPBYBNICD-CYBMUJFWSA-N 0 0 412.406 2.315 20 5 HEBDRN COc1ccc(COC(=O)c2nn(C)cc2[N+](=O)[O-])c(Br)c1OC ZINC000772059689 1079677874 /nfs/dbraw/zinc/67/78/74/1079677874.db2.gz VWWZHYFZODCBMP-UHFFFAOYSA-N 0 0 400.185 2.465 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3cccc(Br)c3)no2)n1 ZINC000772061104 1079704541 /nfs/dbraw/zinc/70/45/41/1079704541.db2.gz UIHGTLFZAAUXMD-UHFFFAOYSA-N 0 0 408.168 2.498 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000772062895 1079705206 /nfs/dbraw/zinc/70/52/06/1079705206.db2.gz XXGMMSIHWHWODP-UHFFFAOYSA-N 0 0 407.692 2.191 20 5 HEBDRN C[C@@H](CONC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)NC(=O)OC(C)(C)C ZINC000767161670 1079722430 /nfs/dbraw/zinc/72/24/30/1079722430.db2.gz BEIAJTJJEXEFJO-JTQLQIEISA-N 0 0 406.395 2.423 20 5 HEBDRN CCOC(=O)CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000767183010 1079724422 /nfs/dbraw/zinc/72/44/22/1079724422.db2.gz GAJQZQODMWDBIM-GFCCVEGCSA-N 0 0 407.398 2.031 20 5 HEBDRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000772286631 1079793859 /nfs/dbraw/zinc/79/38/59/1079793859.db2.gz LKPKINCSBWRYOT-GFCCVEGCSA-N 0 0 400.457 2.077 20 5 HEBDRN COc1ccc2c(c1)OC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC)C2 ZINC000767305214 1079802834 /nfs/dbraw/zinc/80/28/34/1079802834.db2.gz ZDAYYLHWLOTAFW-ZDUSSCGKSA-N 0 0 423.447 2.201 20 5 HEBDRN CS(=O)(=O)Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000767316802 1079815477 /nfs/dbraw/zinc/81/54/77/1079815477.db2.gz YPDPSJLUMLVTKA-UHFFFAOYSA-N 0 0 411.871 2.341 20 5 HEBDRN COCCN(CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000767326856 1079820463 /nfs/dbraw/zinc/82/04/63/1079820463.db2.gz KCHWTNQKBAWFBK-UHFFFAOYSA-N 0 0 417.484 2.065 20 5 HEBDRN O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN1C(=O)c2ccccc2C1=O ZINC000767345333 1079824235 /nfs/dbraw/zinc/82/42/35/1079824235.db2.gz JAXSNFSPQITWBZ-UHFFFAOYSA-N 0 0 402.746 2.270 20 5 HEBDRN COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc(OC)cc(OC)c1 ZINC000767377613 1079834520 /nfs/dbraw/zinc/83/45/20/1079834520.db2.gz NFHRXCHOHLUGKH-INIZCTEOSA-N 0 0 408.338 2.404 20 5 HEBDRN Cc1cc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000767393940 1079843874 /nfs/dbraw/zinc/84/38/74/1079843874.db2.gz IDDVKMXRXJSLNJ-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN O=C(COC(=O)CCCNC(=O)c1cccnc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000772375974 1079852916 /nfs/dbraw/zinc/85/29/16/1079852916.db2.gz YKNXKIFLMVIYTN-UHFFFAOYSA-N 0 0 420.809 2.335 20 5 HEBDRN O=C(COC(=O)[C@H]1CCCCS1(=O)=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000772416986 1079865372 /nfs/dbraw/zinc/86/53/72/1079865372.db2.gz QSFTWIHDXYTSCC-GFCCVEGCSA-N 0 0 424.353 2.063 20 5 HEBDRN Cc1c(-c2cc(COC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)on2)cnn1C ZINC000767534476 1079935110 /nfs/dbraw/zinc/93/51/10/1079935110.db2.gz XNHJKSSZWQKAPG-UHFFFAOYSA-N 0 0 400.347 2.420 20 5 HEBDRN CN(C)c1cc(COC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)ccn1 ZINC000767567821 1079977478 /nfs/dbraw/zinc/97/74/78/1079977478.db2.gz XUZGRGHHQFCTTH-UHFFFAOYSA-N 0 0 404.335 2.092 20 5 HEBDRN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000767600541 1079998972 /nfs/dbraw/zinc/99/89/72/1079998972.db2.gz MHSGURCIAHNEOB-CYBMUJFWSA-N 0 0 413.887 2.237 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000772640124 1079999627 /nfs/dbraw/zinc/99/96/27/1079999627.db2.gz QZXFVXPCQRGEIC-UHFFFAOYSA-N 0 0 415.399 2.344 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCN(c3ccc(C=O)s3)CC2)cc1[N+](=O)[O-] ZINC000767668699 1080018233 /nfs/dbraw/zinc/01/82/33/1080018233.db2.gz ROABXNDOZFQQPL-UHFFFAOYSA-N 0 0 401.491 2.350 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000767652574 1080022742 /nfs/dbraw/zinc/02/27/42/1080022742.db2.gz NLEGCTSRLMPJJR-UHFFFAOYSA-N 0 0 412.449 2.384 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000767655601 1080023439 /nfs/dbraw/zinc/02/34/39/1080023439.db2.gz HDFFIMQKXOUFPV-CYBMUJFWSA-N 0 0 423.451 2.422 20 5 HEBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000767657443 1080023514 /nfs/dbraw/zinc/02/35/14/1080023514.db2.gz TXBDAEUNGCRECA-LLVKDONJSA-N 0 0 410.901 2.144 20 5 HEBDRN COCc1c(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000767727477 1080054923 /nfs/dbraw/zinc/05/49/23/1080054923.db2.gz IINPEWPRLWTVEP-UHFFFAOYSA-N 0 0 410.386 2.383 20 5 HEBDRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785591532 1080065855 /nfs/dbraw/zinc/06/58/55/1080065855.db2.gz XCQPCXKQJJBASU-WGOVJSDKSA-N 0 0 407.496 2.213 20 5 HEBDRN C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)NCC(=O)c1ccccc1 ZINC000785676935 1080156835 /nfs/dbraw/zinc/15/68/35/1080156835.db2.gz ITRIDVLDAUAERH-AWEZNQCLSA-N 0 0 422.397 2.325 20 5 HEBDRN O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000785732186 1080206224 /nfs/dbraw/zinc/20/62/24/1080206224.db2.gz DZUXACDZHBBCOX-AWEZNQCLSA-N 0 0 422.777 2.062 20 5 HEBDRN Cc1cnc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000742428844 1080213170 /nfs/dbraw/zinc/21/31/70/1080213170.db2.gz SAHJIEMAHCEVSO-UHFFFAOYSA-N 0 0 421.435 2.026 20 5 HEBDRN O=C(CN(CCCO)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767903015 1080222344 /nfs/dbraw/zinc/22/23/44/1080222344.db2.gz VQIXFYHHYVVNKO-UHFFFAOYSA-N 0 0 412.490 2.128 20 5 HEBDRN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785717862 1080227134 /nfs/dbraw/zinc/22/71/34/1080227134.db2.gz HRLZYBLTYOOZBF-RTBURBONSA-N 0 0 418.446 2.348 20 5 HEBDRN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000785717861 1080227195 /nfs/dbraw/zinc/22/71/95/1080227195.db2.gz HRLZYBLTYOOZBF-RBUKOAKNSA-N 0 0 418.446 2.348 20 5 HEBDRN O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767947443 1080237912 /nfs/dbraw/zinc/23/79/12/1080237912.db2.gz KDSNJKWJPWZQOU-QFIPXVFZSA-N 0 0 423.425 2.202 20 5 HEBDRN C[C@@H]1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]1CO ZINC000785776821 1080241317 /nfs/dbraw/zinc/24/13/17/1080241317.db2.gz YLXUUBJYSFTTPN-FZKQIMNGSA-N 0 0 420.443 2.205 20 5 HEBDRN C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000767977773 1080245442 /nfs/dbraw/zinc/24/54/42/1080245442.db2.gz FULMTWRZUREUHR-NSPYISDASA-N 0 0 415.377 2.239 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000767955045 1080249784 /nfs/dbraw/zinc/24/97/84/1080249784.db2.gz ABPCALIMBNRKHZ-UHFFFAOYSA-N 0 0 400.391 2.191 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767991083 1080261857 /nfs/dbraw/zinc/26/18/57/1080261857.db2.gz NMMYFMDOCBVKEG-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000798460039 1080264512 /nfs/dbraw/zinc/26/45/12/1080264512.db2.gz AOETURMBUBQWPF-SECBINFHSA-N 0 0 409.258 2.320 20 5 HEBDRN 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Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000768741221 1080765066 /nfs/dbraw/zinc/76/50/66/1080765066.db2.gz MXQYHMVRQFODTK-CQSZACIVSA-N 0 0 409.345 2.293 20 5 HEBDRN C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000768804061 1080781132 /nfs/dbraw/zinc/78/11/32/1080781132.db2.gz AEIOZQKKHOIJHG-LBPRGKRZSA-N 0 0 401.510 2.316 20 5 HEBDRN CC[C@H](C)[C@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Br)C(=O)OC ZINC000786746627 1080792062 /nfs/dbraw/zinc/79/20/62/1080792062.db2.gz LSPRQUMUBXAHGB-XPTSAGLGSA-N 0 0 403.229 2.440 20 5 HEBDRN Cc1ccc([C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000768816508 1080809802 /nfs/dbraw/zinc/80/98/02/1080809802.db2.gz MDYGINWBOJIBNJ-INIZCTEOSA-N 0 0 411.505 2.317 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)cs1 ZINC000768834370 1080816601 /nfs/dbraw/zinc/81/66/01/1080816601.db2.gz RUFDNJUNXNAXKN-VIFPVBQESA-N 0 0 415.522 2.440 20 5 HEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000786780506 1080820232 /nfs/dbraw/zinc/82/02/32/1080820232.db2.gz AREMUJWWTAEJOV-UHFFFAOYSA-N 0 0 418.475 2.444 20 5 HEBDRN CC(C)Oc1cccc(CNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000786825135 1080826645 /nfs/dbraw/zinc/82/66/45/1080826645.db2.gz AFJYPTHEAIGWLL-UHFFFAOYSA-N 0 0 411.418 2.191 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000786840525 1080867328 /nfs/dbraw/zinc/86/73/28/1080867328.db2.gz FWTVENDACHUCAT-UHFFFAOYSA-N 0 0 414.853 2.436 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000786840827 1080868727 /nfs/dbraw/zinc/86/87/27/1080868727.db2.gz NGEVMGPQICPPKK-UHFFFAOYSA-N 0 0 408.418 2.185 20 5 HEBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccnc(Cl)c1I ZINC000786897939 1080874362 /nfs/dbraw/zinc/87/43/62/1080874362.db2.gz CRSHRJROECGZSY-UHFFFAOYSA-N 0 0 422.566 2.301 20 5 HEBDRN CCOC(CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)OCC ZINC000786899615 1080874711 /nfs/dbraw/zinc/87/47/11/1080874711.db2.gz RKPFCXHTSWBTBG-UHFFFAOYSA-N 0 0 411.274 2.425 20 5 HEBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCn2c(Br)cnc2C1 ZINC000786909757 1080880023 /nfs/dbraw/zinc/88/00/23/1080880023.db2.gz SUZAPLKGULAOII-UHFFFAOYSA-N 0 0 401.242 2.067 20 5 HEBDRN CCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000786922971 1080884089 /nfs/dbraw/zinc/88/40/89/1080884089.db2.gz MQZIYHCXIJUNFO-SECBINFHSA-N 0 0 421.269 2.462 20 5 HEBDRN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000769046614 1080893592 /nfs/dbraw/zinc/89/35/92/1080893592.db2.gz DSQOLDAJJNWKMD-GFCCVEGCSA-N 0 0 406.420 2.027 20 5 HEBDRN C[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000769045707 1080893600 /nfs/dbraw/zinc/89/36/00/1080893600.db2.gz DAFOSXMWIBVURG-SNVBAGLBSA-N 0 0 408.388 2.100 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786961019 1080894005 /nfs/dbraw/zinc/89/40/05/1080894005.db2.gz RVEVWSPQEIKCGX-MFKMUULPSA-N 0 0 412.349 2.215 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000769092609 1080902623 /nfs/dbraw/zinc/90/26/23/1080902623.db2.gz JEPLMLIBHILCJN-DOTOQJQBSA-N 0 0 404.419 2.047 20 5 HEBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H]1CCCOC1 ZINC000769093730 1080904211 /nfs/dbraw/zinc/90/42/11/1080904211.db2.gz IJHGFUITQGCMCC-SECBINFHSA-N 0 0 419.171 2.352 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000769077103 1080929472 /nfs/dbraw/zinc/92/94/72/1080929472.db2.gz OMSQRWSDRPWFMO-UHFFFAOYSA-N 0 0 421.498 2.112 20 5 HEBDRN CCOC(=O)N[C@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CC(C)C ZINC000786984435 1080939644 /nfs/dbraw/zinc/93/96/44/1080939644.db2.gz GIBRDDCVAFSUSK-AWEZNQCLSA-N 0 0 410.475 2.299 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000769132133 1080951004 /nfs/dbraw/zinc/95/10/04/1080951004.db2.gz GEFGCTBBNQDRKB-NSHDSACASA-N 0 0 403.366 2.206 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769134403 1080952601 /nfs/dbraw/zinc/95/26/01/1080952601.db2.gz LKLVPDMTDXRPRL-LLVKDONJSA-N 0 0 403.366 2.206 20 5 HEBDRN CC(C)(C)c1nc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)no1 ZINC000787038435 1080961350 /nfs/dbraw/zinc/96/13/50/1080961350.db2.gz VLIHMDWPSXQXFQ-UHFFFAOYSA-N 0 0 402.455 2.206 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc(F)nc2C)CC1 ZINC000787049711 1080972032 /nfs/dbraw/zinc/97/20/32/1080972032.db2.gz NGPPOZUHZAIBOC-UHFFFAOYSA-N 0 0 408.455 2.252 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)c(Br)c1 ZINC000746637647 1081014894 /nfs/dbraw/zinc/01/48/94/1081014894.db2.gz QMOKITHVGUGWGM-UHFFFAOYSA-N 0 0 421.269 2.321 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2cccc(C)c2)cc1OC ZINC000769304739 1081037188 /nfs/dbraw/zinc/03/71/88/1081037188.db2.gz QYAYTYIILHHUDC-QGZVFWFLSA-N 0 0 404.419 2.400 20 5 HEBDRN Cc1c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cccc1N1CCOC1=O ZINC000744347740 1081043289 /nfs/dbraw/zinc/04/32/89/1081043289.db2.gz BPVKGDCDEHYUSI-UHFFFAOYSA-N 0 0 412.358 2.406 20 5 HEBDRN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000787173404 1081044450 /nfs/dbraw/zinc/04/44/50/1081044450.db2.gz JBVNOSYYJOBLED-ZDUSSCGKSA-N 0 0 412.450 2.418 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000787197355 1081058688 /nfs/dbraw/zinc/05/86/88/1081058688.db2.gz QAVKGRZWJSOFLM-OAHLLOKOSA-N 0 0 419.235 2.253 20 5 HEBDRN O=[N+]([O-])c1cnn(CCNS(=O)(=O)/C=C/c2cccc(Br)c2)c1 ZINC000769450911 1081084137 /nfs/dbraw/zinc/08/41/37/1081084137.db2.gz GDZNWUHIEXEOAI-QPJJXVBHSA-N 0 0 401.242 2.144 20 5 HEBDRN C[C@@]1(C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000769512476 1081104219 /nfs/dbraw/zinc/10/42/19/1081104219.db2.gz FPXRPOQNFMWFBM-INIZCTEOSA-N 0 0 411.256 2.167 20 5 HEBDRN COc1cccc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1[N+](=O)[O-] ZINC000769579190 1081133479 /nfs/dbraw/zinc/13/34/79/1081133479.db2.gz NBKCWOPMMMZMOU-HNNXBMFYSA-N 0 0 401.331 2.474 20 5 HEBDRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000769639222 1081158855 /nfs/dbraw/zinc/15/88/55/1081158855.db2.gz MYAPCCVVYXBGIT-UHFFFAOYSA-N 0 0 422.387 2.402 20 5 HEBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700460 719851421 /nfs/dbraw/zinc/85/14/21/719851421.db2.gz HKWJWWFETZITEW-VFNWGFHPSA-N 0 0 414.462 2.376 20 5 HEBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708526 719864961 /nfs/dbraw/zinc/86/49/61/719864961.db2.gz ZRRMQNCLTLIJBV-UTKZUKDTSA-N 0 0 414.462 2.376 20 5 HEBDRN O=C(N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164845434 720800677 /nfs/dbraw/zinc/80/06/77/720800677.db2.gz FRYJQPGFVMFTHK-MRVWCRGKSA-N 0 0 416.812 2.308 20 5 HEBDRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1 ZINC001164884873 721455425 /nfs/dbraw/zinc/45/54/25/721455425.db2.gz BMTFZTXCXCVDIH-IHRRRGAJSA-N 0 0 416.812 2.451 20 5 HEBDRN COc1cc(C)nc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164944364 721943938 /nfs/dbraw/zinc/94/39/38/721943938.db2.gz QXSPNDMQGPLRFN-NVXWUHKLSA-N 0 0 403.439 2.001 20 5 HEBDRN COc1cc(C)nc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164944369 721943948 /nfs/dbraw/zinc/94/39/48/721943948.db2.gz QXSPNDMQGPLRFN-RDJZCZTQSA-N 0 0 403.439 2.001 20 5 HEBDRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2=O)cn1 ZINC001164972953 722094416 /nfs/dbraw/zinc/09/44/16/722094416.db2.gz AJJUUVRKLLEHAJ-MWLCHTKSSA-N 0 0 412.784 2.021 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc([N+](=O)[O-])c(N)n4)CC[C@@H]32)cs1 ZINC001164991266 722183803 /nfs/dbraw/zinc/18/38/03/722183803.db2.gz PQVVLWNGMSMHQF-HOCLYGCPSA-N 0 0 404.496 2.207 20 5 HEBDRN Cc1cc(Cl)nc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164996075 722232000 /nfs/dbraw/zinc/23/20/00/722232000.db2.gz CTCBZECMDSCTQC-UHFFFAOYSA-N 0 0 417.901 2.099 20 5 HEBDRN CN1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)CC1 ZINC001164997643 722232834 /nfs/dbraw/zinc/23/28/34/722232834.db2.gz SUTNIWPKSZXVIX-UHFFFAOYSA-N 0 0 419.489 2.290 20 5 HEBDRN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769668128 1078507550 /nfs/dbraw/zinc/50/75/50/1078507550.db2.gz BXJXDEIRIVGFIQ-OCCSQVGLSA-N 0 0 417.418 2.100 20 5 HEBDRN COC(=O)[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000769672107 1078511886 /nfs/dbraw/zinc/51/18/86/1078511886.db2.gz JKPJNVXTQHYSAZ-GOSISDBHSA-N 0 0 412.354 2.319 20 5 HEBDRN COc1cccc(CNC(=O)[C@H](C)OC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000745618143 1078561030 /nfs/dbraw/zinc/56/10/30/1078561030.db2.gz NXKHMGQMLRXMGD-AWEZNQCLSA-N 0 0 401.419 2.288 20 5 HEBDRN C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1F ZINC000745614235 1078567325 /nfs/dbraw/zinc/56/73/25/1078567325.db2.gz GCQJLYHVSCZPKS-GFCCVEGCSA-N 0 0 418.381 2.450 20 5 HEBDRN O=C(COC(=O)CCC1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000745657000 1078569928 /nfs/dbraw/zinc/56/99/28/1078569928.db2.gz FVIGZQWMJWZUBE-UHFFFAOYSA-N 0 0 408.407 2.445 20 5 HEBDRN C[C@@H](OC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745681424 1078584473 /nfs/dbraw/zinc/58/44/73/1078584473.db2.gz KLCJFSUNFZMFQN-QWHCGFSZSA-N 0 0 410.390 2.380 20 5 HEBDRN C[C@H](OC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000745683027 1078595559 /nfs/dbraw/zinc/59/55/59/1078595559.db2.gz BORGGHSTGBFOMF-STQMWFEESA-N 0 0 410.390 2.380 20 5 HEBDRN CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1=O ZINC000745690489 1078601595 /nfs/dbraw/zinc/60/15/95/1078601595.db2.gz CDLGRAQVNKEYJP-ZDUSSCGKSA-N 0 0 417.340 2.496 20 5 HEBDRN NC(=O)Nc1ccc(C(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 ZINC000769838086 1078599821 /nfs/dbraw/zinc/59/98/21/1078599821.db2.gz FMUYRKXIJLKPGC-UHFFFAOYSA-N 0 0 423.179 2.283 20 5 HEBDRN C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000745702577 1078607456 /nfs/dbraw/zinc/60/74/56/1078607456.db2.gz MQSZTQIGBXLCSX-COPLHBTASA-N 0 0 420.422 2.161 20 5 HEBDRN COCCOc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000769894161 1078615169 /nfs/dbraw/zinc/61/51/69/1078615169.db2.gz XMHVCXRDXDMEAD-UHFFFAOYSA-N 0 0 415.855 2.455 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)c1ccccc1 ZINC000769895317 1078616581 /nfs/dbraw/zinc/61/65/81/1078616581.db2.gz GARUQKKIWKKLSV-UHFFFAOYSA-N 0 0 418.880 2.309 20 5 HEBDRN O=C(COC(=O)c1cnn2cc(Br)cnc12)Nc1cccc([N+](=O)[O-])c1 ZINC000769895090 1078616642 /nfs/dbraw/zinc/61/66/42/1078616642.db2.gz KXRNBYLXKKQPII-UHFFFAOYSA-N 0 0 420.179 2.196 20 5 HEBDRN COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769904639 1078626496 /nfs/dbraw/zinc/62/64/96/1078626496.db2.gz BZQZJLBQCVXNHT-UHFFFAOYSA-N 0 0 420.871 2.289 20 5 HEBDRN C[C@H]1CN(c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cn2)C[C@H](C)O1 ZINC000745765975 1078627376 /nfs/dbraw/zinc/62/73/76/1078627376.db2.gz QQVZEMUFYZSSHM-KBPBESRZSA-N 0 0 418.425 2.438 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000769908343 1078630069 /nfs/dbraw/zinc/63/00/69/1078630069.db2.gz RYJKDUMWLHSLDF-WDEREUQCSA-N 0 0 410.901 2.191 20 5 HEBDRN O=C(COc1ccc(Br)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769876284 1078639590 /nfs/dbraw/zinc/63/95/90/1078639590.db2.gz IWSFZLZMJFMUCU-UHFFFAOYSA-N 0 0 421.251 2.480 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NC(=O)C(C)C)CC1 ZINC000769891144 1078645257 /nfs/dbraw/zinc/64/52/57/1078645257.db2.gz IRABRLIWFJERGO-UHFFFAOYSA-N 0 0 403.888 2.482 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000769891332 1078645342 /nfs/dbraw/zinc/64/53/42/1078645342.db2.gz YBTWDKGMDXFXLD-SNVBAGLBSA-N 0 0 405.329 2.453 20 5 HEBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NNc1c(F)cccc1Cl)OCCO2 ZINC000769892890 1078647121 /nfs/dbraw/zinc/64/71/21/1078647121.db2.gz QDRHCKYYSCRNEF-UHFFFAOYSA-N 0 0 403.775 2.464 20 5 HEBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCCn3cnc([N+](=O)[O-])n3)cc2[N+](=O)[O-])C1 ZINC000770150736 1078748782 /nfs/dbraw/zinc/74/87/82/1078748782.db2.gz XMNKEMYJGLUTER-STQMWFEESA-N 0 0 418.410 2.434 20 5 HEBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCCn3cnc([N+](=O)[O-])n3)cc2[N+](=O)[O-])C1 ZINC000770150735 1078748810 /nfs/dbraw/zinc/74/88/10/1078748810.db2.gz XMNKEMYJGLUTER-CHWSQXEVSA-N 0 0 418.410 2.434 20 5 HEBDRN COC(=O)/C=C\c1ccc(NCc2ccc(S(N)(=O)=O)cc2C)c([N+](=O)[O-])c1 ZINC000770192211 1078754160 /nfs/dbraw/zinc/75/41/60/1078754160.db2.gz SMBGINILHVARPI-YWEYNIOJSA-N 0 0 405.432 2.349 20 5 HEBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1nc(-c2ccccn2)no1 ZINC000746061128 1078759706 /nfs/dbraw/zinc/75/97/06/1078759706.db2.gz WCMUWPZLYCGOHX-UHFFFAOYSA-N 0 0 417.765 2.166 20 5 HEBDRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746061394 1078759774 /nfs/dbraw/zinc/75/97/74/1078759774.db2.gz SLZOLMADBDNASG-UHFFFAOYSA-N 0 0 410.791 2.136 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1nc(-c2ccccn2)no1 ZINC000746074815 1078767801 /nfs/dbraw/zinc/76/78/01/1078767801.db2.gz AAFIWUJBZIMAJW-UHFFFAOYSA-N 0 0 417.765 2.166 20 5 HEBDRN CC(C)C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)Nc1nccs1 ZINC000770267595 1078798886 /nfs/dbraw/zinc/79/88/86/1078798886.db2.gz JIYXNVLLIXBKIU-ZDUSSCGKSA-N 0 0 420.447 2.412 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNc1ncnc2sccc21 ZINC000746133572 1078801795 /nfs/dbraw/zinc/80/17/95/1078801795.db2.gz ICAWOPDSKNERMC-GFCCVEGCSA-N 0 0 418.483 2.060 20 5 HEBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000746142764 1078804907 /nfs/dbraw/zinc/80/49/07/1078804907.db2.gz WCTLENXRTFOISP-UHFFFAOYSA-N 0 0 401.360 2.427 20 5 HEBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)cn1C ZINC000770284022 1078807123 /nfs/dbraw/zinc/80/71/23/1078807123.db2.gz SLWSZPKBTIPVPB-UHFFFAOYSA-N 0 0 405.388 2.426 20 5 HEBDRN CCN1C(=S)N=NC1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770286978 1078808303 /nfs/dbraw/zinc/80/83/03/1078808303.db2.gz NASBQJDYOZYKMG-UHFFFAOYSA-N 0 0 400.258 2.230 20 5 HEBDRN COC(=O)COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000770287488 1078808965 /nfs/dbraw/zinc/80/89/65/1078808965.db2.gz UEHZUZXQWGYBDP-UHFFFAOYSA-N 0 0 418.383 2.463 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746194514 1078815203 /nfs/dbraw/zinc/81/52/03/1078815203.db2.gz OBNAIWAAZWJRSE-KGLIPLIRSA-N 0 0 424.502 2.200 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)CCO)cc1 ZINC000746227749 1078821398 /nfs/dbraw/zinc/82/13/98/1078821398.db2.gz UYYAFMOLAMEMLZ-CYBMUJFWSA-N 0 0 408.432 2.172 20 5 HEBDRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000770317703 1078827791 /nfs/dbraw/zinc/82/77/91/1078827791.db2.gz JZSFFOWEDZNRAC-UHFFFAOYSA-N 0 0 406.196 2.183 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000746267322 1078838798 /nfs/dbraw/zinc/83/87/98/1078838798.db2.gz MRCWVOFTULVANU-ZIAGYGMSSA-N 0 0 424.502 2.343 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000746275234 1078841439 /nfs/dbraw/zinc/84/14/39/1078841439.db2.gz HHGWNQPWAFMZLY-CQSZACIVSA-N 0 0 404.427 2.322 20 5 HEBDRN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000770406174 1078843393 /nfs/dbraw/zinc/84/33/93/1078843393.db2.gz DCUZAFAQGSEPBO-MRXNPFEDSA-N 0 0 409.420 2.093 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746334336 1078862834 /nfs/dbraw/zinc/86/28/34/1078862834.db2.gz WOLAOMLKBHAYLS-ZIAGYGMSSA-N 0 0 424.502 2.295 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000746321323 1078858409 /nfs/dbraw/zinc/85/84/09/1078858409.db2.gz BYZNNOCWEPEIGT-UHFFFAOYSA-N 0 0 408.436 2.165 20 5 HEBDRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770504699 1078869882 /nfs/dbraw/zinc/86/98/82/1078869882.db2.gz RPQCCXGCWVHMJC-GWCFXTLKSA-N 0 0 410.427 2.186 20 5 HEBDRN CCc1c(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cnn1-c1ccc(OC)cc1 ZINC000770554769 1078880242 /nfs/dbraw/zinc/88/02/42/1078880242.db2.gz PZFZMKOPYDADGX-UHFFFAOYSA-N 0 0 412.402 2.370 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1C[C@@H](O)C[C@H]1CO ZINC000770665475 1078924488 /nfs/dbraw/zinc/92/44/88/1078924488.db2.gz FKIYZPYSJXCMAM-RLFYNMQTSA-N 0 0 405.838 2.356 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766368994 1078922454 /nfs/dbraw/zinc/92/24/54/1078922454.db2.gz POWZXFKORWXYJO-UHFFFAOYSA-N 0 0 414.330 2.417 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1COc2ccccc2O1 ZINC000746430155 1078942253 /nfs/dbraw/zinc/94/22/53/1078942253.db2.gz YXTOMIBSLNEVAJ-ZDUSSCGKSA-N 0 0 409.420 2.029 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CCOc1ccccc1F ZINC000746430078 1078943378 /nfs/dbraw/zinc/94/33/78/1078943378.db2.gz REOKYUBMQQFGJR-UHFFFAOYSA-N 0 0 413.427 2.431 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000766400043 1078952743 /nfs/dbraw/zinc/95/27/43/1078952743.db2.gz LZIYXQKZOQXQGY-ZNMIVQPWSA-N 0 0 424.454 2.454 20 5 HEBDRN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)CNC(=O)OC(C)(C)C ZINC000770769004 1078988225 /nfs/dbraw/zinc/98/82/25/1078988225.db2.gz RNFCZOUHXIYPLG-NSHDSACASA-N 0 0 406.443 2.431 20 5 HEBDRN NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000746462563 1079008312 /nfs/dbraw/zinc/00/83/12/1079008312.db2.gz WPZSMRLVTNCZIU-UHFFFAOYSA-N 0 0 424.866 2.287 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CCCCC23OCCO3)c1 ZINC000746471140 1079020261 /nfs/dbraw/zinc/02/02/61/1079020261.db2.gz FGKNIBPXSOZFAU-ZDUSSCGKSA-N 0 0 421.269 2.321 20 5 HEBDRN CC(=O)N1CCC[C@@H](COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000766463065 1079013255 /nfs/dbraw/zinc/01/32/55/1079013255.db2.gz OWFAJOKQQVIOSW-ZIAGYGMSSA-N 0 0 409.464 2.063 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)N2CCN(C3=NCC(C)(C)S3)CC2)c([N+](=O)[O-])c1 ZINC000746460514 1079013326 /nfs/dbraw/zinc/01/33/26/1079013326.db2.gz PCFVRTNXNUOWTQ-ZDUSSCGKSA-N 0 0 421.523 2.429 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)N2CCN(C3=NCC(C)(C)S3)CC2)c([N+](=O)[O-])c1 ZINC000746460512 1079013382 /nfs/dbraw/zinc/01/33/82/1079013382.db2.gz PCFVRTNXNUOWTQ-CYBMUJFWSA-N 0 0 421.523 2.429 20 5 HEBDRN CCOC(=O)N(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000766481511 1079034209 /nfs/dbraw/zinc/03/42/09/1079034209.db2.gz AOUGDFQSBDZHJB-UHFFFAOYSA-N 0 0 422.463 2.384 20 5 HEBDRN CNC(=O)COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000766494413 1079037645 /nfs/dbraw/zinc/03/76/45/1079037645.db2.gz LLXQDIZIPMQVDV-UHFFFAOYSA-N 0 0 417.399 2.036 20 5 HEBDRN Cc1c(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000770862280 1079044012 /nfs/dbraw/zinc/04/40/12/1079044012.db2.gz YBIAWOBYAVCMHE-YOEHRIQHSA-N 0 0 403.391 2.334 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)COc2cccc(F)c2)c2ncccc12 ZINC000766503445 1079045697 /nfs/dbraw/zinc/04/56/97/1079045697.db2.gz RTGBSCOKXDAGAV-CYBMUJFWSA-N 0 0 421.406 2.000 20 5 HEBDRN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1[C@@H](C)O ZINC000766538730 1079072857 /nfs/dbraw/zinc/07/28/57/1079072857.db2.gz PECNWZSYUPKZKX-GFCCVEGCSA-N 0 0 402.432 2.378 20 5 HEBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cccc2nccn21 ZINC000770924470 1079082713 /nfs/dbraw/zinc/08/27/13/1079082713.db2.gz IFJUOZUCCZVONB-CYBMUJFWSA-N 0 0 418.431 2.430 20 5 HEBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000766555395 1079089961 /nfs/dbraw/zinc/08/99/61/1079089961.db2.gz FJOMOBIIHWPYSI-AWEZNQCLSA-N 0 0 401.803 2.201 20 5 HEBDRN CCO[C@H]1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C12CCOCC2 ZINC000770971418 1079091673 /nfs/dbraw/zinc/09/16/73/1079091673.db2.gz DZPGRGDPXCPIJM-JKSUJKDBSA-N 0 0 413.448 2.129 20 5 HEBDRN CCO[C@@H]1C[C@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000770997847 1079099399 /nfs/dbraw/zinc/09/93/99/1079099399.db2.gz VULRCYQKJCLYHR-SJORKVTESA-N 0 0 402.407 2.307 20 5 HEBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](CO)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000771002383 1079100437 /nfs/dbraw/zinc/10/04/37/1079100437.db2.gz KNMCHUVZCDAHPO-QGZVFWFLSA-N 0 0 419.459 2.205 20 5 HEBDRN COC(=O)N1CC(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000771078356 1079132597 /nfs/dbraw/zinc/13/25/97/1079132597.db2.gz RKVUNNQOONKUSW-UHFFFAOYSA-N 0 0 414.205 2.268 20 5 HEBDRN Cc1cccc(-c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)n1 ZINC000771083913 1079136020 /nfs/dbraw/zinc/13/60/20/1079136020.db2.gz ALZZALSRTACBJT-UHFFFAOYSA-N 0 0 408.418 2.240 20 5 HEBDRN COCCC[C@@H](C)c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771088319 1079145293 /nfs/dbraw/zinc/14/52/93/1079145293.db2.gz PCZVCCWXZCGFOD-OAHLLOKOSA-N 0 0 417.466 2.399 20 5 HEBDRN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000766603729 1079155245 /nfs/dbraw/zinc/15/52/45/1079155245.db2.gz ZYJPNSSWQQGLDV-XJKSGUPXSA-N 0 0 421.841 2.035 20 5 HEBDRN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000766603725 1079155327 /nfs/dbraw/zinc/15/53/27/1079155327.db2.gz ZYJPNSSWQQGLDV-CZUORRHYSA-N 0 0 421.841 2.035 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000771151684 1079163428 /nfs/dbraw/zinc/16/34/28/1079163428.db2.gz CEZIQGSQENVBCC-GOSISDBHSA-N 0 0 408.386 2.165 20 5 HEBDRN Cc1c(CN2C(=O)N[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cccc1[N+](=O)[O-] ZINC000771157776 1079171855 /nfs/dbraw/zinc/17/18/55/1079171855.db2.gz PPWJJEWUMDJFOC-IBGZPJMESA-N 0 0 404.423 2.335 20 5 HEBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001169241631 1079209065 /nfs/dbraw/zinc/20/90/65/1079209065.db2.gz WLQVCXXVLULQFU-KRWDZBQOSA-N 0 0 400.391 2.314 20 5 HEBDRN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000771188935 1079214256 /nfs/dbraw/zinc/21/42/56/1079214256.db2.gz UHNIFSZUHBWQMT-UHFFFAOYSA-N 0 0 400.296 2.181 20 5 HEBDRN CC(=O)c1ccc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c([N+](=O)[O-])c1 ZINC000771189891 1079214832 /nfs/dbraw/zinc/21/48/32/1079214832.db2.gz PZFVMWFHQWIACA-OAHLLOKOSA-N 0 0 409.398 2.299 20 5 HEBDRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000804316210 1079229028 /nfs/dbraw/zinc/22/90/28/1079229028.db2.gz SWIZUFQTLFMWFZ-KRWDZBQOSA-N 0 0 415.450 2.442 20 5 HEBDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766694366 1079282965 /nfs/dbraw/zinc/28/29/65/1079282965.db2.gz WHENKVVJGZHSCA-OAHLLOKOSA-N 0 0 409.402 2.154 20 5 HEBDRN Cc1nn(C)c(Cl)c1COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766711826 1079299053 /nfs/dbraw/zinc/29/90/53/1079299053.db2.gz RKFBHMVNKCNELB-UHFFFAOYSA-N 0 0 406.782 2.301 20 5 HEBDRN CC(C)(C)OC(=O)NCC(N)=NOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000766739646 1079321994 /nfs/dbraw/zinc/32/19/94/1079321994.db2.gz DGWULWYFVURBMN-UHFFFAOYSA-N 0 0 401.807 2.210 20 5 HEBDRN Cc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(Br)n1 ZINC000771454870 1079330715 /nfs/dbraw/zinc/33/07/15/1079330715.db2.gz YHVZYFLYPAADNL-UHFFFAOYSA-N 0 0 421.207 2.425 20 5 HEBDRN Cc1csc([C@](O)(Cc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)C(F)(F)F)n1 ZINC000771463483 1079337213 /nfs/dbraw/zinc/33/72/13/1079337213.db2.gz LFJOAGVZOCAFSI-CYBMUJFWSA-N 0 0 418.357 2.444 20 5 HEBDRN CC(=O)N(C)c1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC000766770297 1079350958 /nfs/dbraw/zinc/35/09/58/1079350958.db2.gz USSUXLPLTUIEEL-UHFFFAOYSA-N 0 0 410.386 2.483 20 5 HEBDRN O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501686 1079360879 /nfs/dbraw/zinc/36/08/79/1079360879.db2.gz LPQLUTOFUOBUNI-UHFFFAOYSA-N 0 0 405.480 2.364 20 5 HEBDRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508974 1079365500 /nfs/dbraw/zinc/36/55/00/1079365500.db2.gz IDWVSGIRSFPTMB-UHFFFAOYSA-N 0 0 413.341 2.250 20 5 HEBDRN CCOC(=O)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000771571998 1079376190 /nfs/dbraw/zinc/37/61/90/1079376190.db2.gz BCMJGWQLEYOKJN-VIFPVBQESA-N 0 0 404.192 2.457 20 5 HEBDRN Cn1ncc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1Br ZINC000771576565 1079377965 /nfs/dbraw/zinc/37/79/65/1079377965.db2.gz HJPXKXODPDWJKF-UHFFFAOYSA-N 0 0 421.211 2.113 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000766787702 1079378189 /nfs/dbraw/zinc/37/81/89/1079378189.db2.gz FYDZQHVGIIMEIS-UHFFFAOYSA-N 0 0 413.356 2.185 20 5 HEBDRN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000766798948 1079386257 /nfs/dbraw/zinc/38/62/57/1079386257.db2.gz 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C[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740857242 1076269756 /nfs/dbraw/zinc/26/97/56/1076269756.db2.gz ZXLHVTNPHWKQRJ-MLGOLLRUSA-N 0 0 418.450 2.383 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000740870379 1076275693 /nfs/dbraw/zinc/27/56/93/1076275693.db2.gz AAFXHBDNXUSQJG-ONGXEEELSA-N 0 0 401.397 2.057 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000740870376 1076275916 /nfs/dbraw/zinc/27/59/16/1076275916.db2.gz AAFXHBDNXUSQJG-GXSJLCMTSA-N 0 0 401.397 2.057 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740891583 1076291721 /nfs/dbraw/zinc/29/17/21/1076291721.db2.gz RAENDGPCGXJVNO-UHFFFAOYSA-N 0 0 407.404 2.039 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000741011671 1076327776 /nfs/dbraw/zinc/32/77/76/1076327776.db2.gz WJKZIYYCSVNWJA-GOSISDBHSA-N 0 0 407.423 2.316 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741026050 1076342503 /nfs/dbraw/zinc/34/25/03/1076342503.db2.gz IXACPJOZVXPCJG-FHSNZYRGSA-N 0 0 411.430 2.349 20 5 HEBDRN COc1cc(CCNC(=O)NC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1OC ZINC000741075627 1076354519 /nfs/dbraw/zinc/35/45/19/1076354519.db2.gz COPAHOVVIXBEGE-GOSISDBHSA-N 0 0 409.464 2.423 20 5 HEBDRN C[C@@H](O)c1ccc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000741083330 1076357521 /nfs/dbraw/zinc/35/75/21/1076357521.db2.gz YDGNPVRKDXZZSK-OAHLLOKOSA-N 0 0 412.446 2.316 20 5 HEBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000741113157 1076364220 /nfs/dbraw/zinc/36/42/20/1076364220.db2.gz CEDKYKMRYNJXSV-UHFFFAOYSA-N 0 0 416.415 2.309 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741175947 1076395158 /nfs/dbraw/zinc/39/51/58/1076395158.db2.gz KZUUWOZISJKQOH-UHFFFAOYSA-N 0 0 406.439 2.229 20 5 HEBDRN C[C@@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1cccc([N+](=O)[O-])c1 ZINC000741179265 1076396935 /nfs/dbraw/zinc/39/69/35/1076396935.db2.gz MHKWDOWZFAWJRI-CYBMUJFWSA-N 0 0 407.423 2.278 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000741231022 1076424758 /nfs/dbraw/zinc/42/47/58/1076424758.db2.gz WHPKYKDASCSWGS-CQSZACIVSA-N 0 0 416.438 2.209 20 5 HEBDRN C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000737426653 1076469908 /nfs/dbraw/zinc/46/99/08/1076469908.db2.gz BYEPIBGERVHGKF-NSHDSACASA-N 0 0 411.402 2.269 20 5 HEBDRN O=C(COC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741379789 1076504740 /nfs/dbraw/zinc/50/47/40/1076504740.db2.gz AKXYOIBIPTYAEA-SFHVURJKSA-N 0 0 417.393 2.117 20 5 HEBDRN Cc1c(C(=O)NCCc2cccc(C(=O)N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741608984 1076564872 /nfs/dbraw/zinc/56/48/72/1076564872.db2.gz OAQYBRFQIORVKB-UHFFFAOYSA-N 0 0 400.391 2.486 20 5 HEBDRN C[C@@H](Oc1ccc(OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)C(N)=O ZINC000741630768 1076572549 /nfs/dbraw/zinc/57/25/49/1076572549.db2.gz JBRRDCQPBPVASZ-GFCCVEGCSA-N 0 0 410.386 2.467 20 5 HEBDRN O=C(NCCCN1C(=O)COc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000741634920 1076574370 /nfs/dbraw/zinc/57/43/70/1076574370.db2.gz BXNLRPCADFJTKH-UHFFFAOYSA-N 0 0 400.347 2.049 20 5 HEBDRN CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H]2CCCO[C@@H]21 ZINC000741657142 1076579110 /nfs/dbraw/zinc/57/91/10/1076579110.db2.gz YOJGVUZWLOPVDO-IBKQYLNMSA-N 0 0 405.426 2.407 20 5 HEBDRN COc1cc(N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000741717924 1076592151 /nfs/dbraw/zinc/59/21/51/1076592151.db2.gz YMFSGTWGJJBUOX-UHFFFAOYSA-N 0 0 404.375 2.475 20 5 HEBDRN O=C(COc1ccccc1[N+](=O)[O-])N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000741737166 1076615588 /nfs/dbraw/zinc/61/55/88/1076615588.db2.gz WMRFQRRLWRHMFE-OAHLLOKOSA-N 0 0 406.391 2.457 20 5 HEBDRN 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CCC(C)(C)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028023 1077710432 /nfs/dbraw/zinc/71/04/32/1077710432.db2.gz JLKAVSLJONKAIF-RYUDHWBXSA-N 0 0 411.480 2.497 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccc(S(C)(=O)=O)c2)c1F ZINC000766326657 1077771149 /nfs/dbraw/zinc/77/11/49/1077771149.db2.gz NBGTVONWCYYEMC-UHFFFAOYSA-N 0 0 402.425 2.271 20 5 HEBDRN CCOC(=O)CCN(CC1CC1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000745337662 1077805818 /nfs/dbraw/zinc/80/58/18/1077805818.db2.gz DCDUOUCXRHSIGH-AWEZNQCLSA-N 0 0 421.425 2.279 20 5 HEBDRN CC(C)n1ccc(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC000745321835 1077807460 /nfs/dbraw/zinc/80/74/60/1077807460.db2.gz PSILMLPKHKSIRG-UHFFFAOYSA-N 0 0 418.406 2.258 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000745386775 1077816509 /nfs/dbraw/zinc/81/65/09/1077816509.db2.gz YNCGLTXUURVILT-UHFFFAOYSA-N 0 0 403.460 2.466 20 5 HEBDRN 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C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786944359 1080899438 /nfs/dbraw/zinc/89/94/38/1080899438.db2.gz XPOZGAJTBZACMP-RNCFNFMXSA-N 0 0 421.784 2.084 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C(F)(F)C1(O)CCCC1 ZINC000769159777 1080977523 /nfs/dbraw/zinc/97/75/23/1080977523.db2.gz LECMJFWIYWFAGE-JTQLQIEISA-N 0 0 402.350 2.414 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CN(C)C(=O)c2ccccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000787104200 1081015164 /nfs/dbraw/zinc/01/51/64/1081015164.db2.gz RVXSFCWIZHUIDA-ABAIWWIYSA-N 0 0 415.377 2.474 20 5 HEBDRN Cc1c(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769277577 1081028666 /nfs/dbraw/zinc/02/86/66/1081028666.db2.gz VMVFZBYDJKQEDQ-UHFFFAOYSA-N 0 0 416.390 2.023 20 5 HEBDRN Cn1ncnc1COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000746644961 1081030844 /nfs/dbraw/zinc/03/08/44/1081030844.db2.gz ZXDNUXZNCUBDRK-UHFFFAOYSA-N 0 0 408.367 2.209 20 5 HEBDRN 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CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787249530 1081071148 /nfs/dbraw/zinc/07/11/48/1081071148.db2.gz ZLZJZMBJTULGMC-LBPRGKRZSA-N 0 0 401.375 2.175 20 5 HEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nc1 ZINC000769463785 1081088353 /nfs/dbraw/zinc/08/83/53/1081088353.db2.gz QKSQIPXDPGFJKR-CYBMUJFWSA-N 0 0 401.379 2.356 20 5 HEBDRN CC(C)N1C(=S)N=NC1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000769495861 1081096973 /nfs/dbraw/zinc/09/69/73/1081096973.db2.gz PIRNHZWGKYLZCQ-UHFFFAOYSA-N 0 0 402.436 2.299 20 5 HEBDRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC1(C)OCCO1 ZINC000746668823 1081104848 /nfs/dbraw/zinc/10/48/48/1081104848.db2.gz LAXHPOPSPFFQED-SNVBAGLBSA-N 0 0 423.285 2.425 20 5 HEBDRN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 ZINC000769546094 1081119931 /nfs/dbraw/zinc/11/99/31/1081119931.db2.gz WILICKZCJPIWFM-AWEZNQCLSA-N 0 0 400.435 2.167 20 5 HEBDRN C[C@H]1NC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=NN(c2ccccc2)C1=O ZINC000769599838 1081122125 /nfs/dbraw/zinc/12/21/25/1081122125.db2.gz OYGYPWFMAYXESO-CQSZACIVSA-N 0 0 407.430 2.424 20 5 HEBDRN COC(=O)[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cc(C)cc(C)c1 ZINC000769625658 1081143396 /nfs/dbraw/zinc/14/33/96/1081143396.db2.gz GQVPUPNGOAMVGE-LJQANCHMSA-N 0 0 400.387 2.433 20 5 HEBDRN CS(=O)(=O)Nc1ccc(C=CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000769626811 1081144473 /nfs/dbraw/zinc/14/44/73/1081144473.db2.gz XKXDTFXYDQNSMX-RUDMXATFSA-N 0 0 415.431 2.172 20 5 HEBDRN COC(=O)[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000769629385 1081146220 /nfs/dbraw/zinc/14/62/20/1081146220.db2.gz PVRWFNVIEZJOOY-HNNXBMFYSA-N 0 0 414.399 2.179 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c(=O)[nH]c1=O ZINC000769632232 1081150265 /nfs/dbraw/zinc/15/02/65/1081150265.db2.gz CBYUNULZQBQDBI-UHFFFAOYSA-N 0 0 415.399 2.344 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000769639177 1081158805 /nfs/dbraw/zinc/15/88/05/1081158805.db2.gz KGVBTOOIFMMBFA-CYBMUJFWSA-N 0 0 408.455 2.074 20 5 HEBDRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1 ZINC001164716779 720069803 /nfs/dbraw/zinc/06/98/03/720069803.db2.gz XDDPPLQUNQOTCU-PWSUYJOCSA-N 0 0 412.784 2.306 20 5 HEBDRN Cc1cnc2n1CCN(C)C21CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164917285 721818895 /nfs/dbraw/zinc/81/88/95/721818895.db2.gz GFZDDRJRAPXSBY-YVMONPNESA-N 0 0 411.510 2.468 20 5 HEBDRN COc1cc(OC)nc(CN2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)n1 ZINC001165030976 721847284 /nfs/dbraw/zinc/84/72/84/721847284.db2.gz ZGRLDYTYEKQTKX-UHFFFAOYSA-N 0 0 410.434 2.272 20 5 HEBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164941221 721937946 /nfs/dbraw/zinc/93/79/46/721937946.db2.gz GQEBYNYGHLPFKR-RTBURBONSA-N 0 0 410.434 2.232 20 5 HEBDRN CCOc1nc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164943079 721951913 /nfs/dbraw/zinc/95/19/13/721951913.db2.gz GJCHRGQWKSLYSQ-IAGOWNOFSA-N 0 0 403.439 2.083 20 5 HEBDRN COc1nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ncc1[N+](=O)[O-] ZINC001164986753 722173908 /nfs/dbraw/zinc/17/39/08/722173908.db2.gz LNRPLELBJHOUBK-HOCLYGCPSA-N 0 0 420.495 2.028 20 5 HEBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164989355 722180405 /nfs/dbraw/zinc/18/04/05/722180405.db2.gz MEALSAQKHVQYCD-DOTOQJQBSA-N 0 0 404.496 2.328 20 5 HEBDRN CC(C)[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000769666602 1078506987 /nfs/dbraw/zinc/50/69/87/1078506987.db2.gz CUWXAZSUGSPJIQ-GOSISDBHSA-N 0 0 417.418 2.052 20 5 HEBDRN COc1ccnc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1OC ZINC000769674002 1078514500 /nfs/dbraw/zinc/51/45/00/1078514500.db2.gz UZWXWWFUQNPICY-UHFFFAOYSA-N 0 0 415.358 2.017 20 5 HEBDRN C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000769671581 1078513113 /nfs/dbraw/zinc/51/31/13/1078513113.db2.gz FYPNIRMXCVGCPB-LBPRGKRZSA-N 0 0 417.418 2.242 20 5 HEBDRN C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000769671576 1078513129 /nfs/dbraw/zinc/51/31/29/1078513129.db2.gz FYPNIRMXCVGCPB-GFCCVEGCSA-N 0 0 417.418 2.242 20 5 HEBDRN COC(OC)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000769714559 1078533603 /nfs/dbraw/zinc/53/36/03/1078533603.db2.gz JKMRZUNNQFYTEZ-UHFFFAOYSA-N 0 0 403.391 2.077 20 5 HEBDRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000769703476 1078526621 /nfs/dbraw/zinc/52/66/21/1078526621.db2.gz NPYACRHOAXQIBV-MRXNPFEDSA-N 0 0 402.432 2.339 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000769719880 1078535209 /nfs/dbraw/zinc/53/52/09/1078535209.db2.gz HXQKBDIGUNNSNH-NSHDSACASA-N 0 0 420.285 2.229 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nccnc1NC(=O)C(C)(C)C ZINC000745563378 1078538749 /nfs/dbraw/zinc/53/87/49/1078538749.db2.gz IUKAEIGAFOZIKY-UHFFFAOYSA-N 0 0 415.406 2.473 20 5 HEBDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745563597 1078540615 /nfs/dbraw/zinc/54/06/15/1078540615.db2.gz NRKRUAHCQLHRCH-UHFFFAOYSA-N 0 0 401.379 2.165 20 5 HEBDRN CCOc1ccnc(N2CCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)n1 ZINC000769754234 1078540888 /nfs/dbraw/zinc/54/08/88/1078540888.db2.gz UYXLEWCMKDOTBS-UHFFFAOYSA-N 0 0 407.377 2.414 20 5 HEBDRN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1F ZINC000745614236 1078567357 /nfs/dbraw/zinc/56/73/57/1078567357.db2.gz GCQJLYHVSCZPKS-LBPRGKRZSA-N 0 0 418.381 2.450 20 5 HEBDRN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000745614347 1078567422 /nfs/dbraw/zinc/56/74/22/1078567422.db2.gz BJMWQFCNYGMCCN-LBPRGKRZSA-N 0 0 401.375 2.330 20 5 HEBDRN CN(CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1[N+](=O)[O-] ZINC000745615060 1078567686 /nfs/dbraw/zinc/56/76/86/1078567686.db2.gz SPXUGIGFWFUBKG-UHFFFAOYSA-N 0 0 414.374 2.072 20 5 HEBDRN CN(CC(=O)OCC(=O)Nc1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000745614695 1078567755 /nfs/dbraw/zinc/56/77/55/1078567755.db2.gz FDXPPPDQPVYYFJ-UHFFFAOYSA-N 0 0 401.404 2.218 20 5 HEBDRN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000745614789 1078568095 /nfs/dbraw/zinc/56/80/95/1078568095.db2.gz NVIVQNQZWUAPDI-ZDUSSCGKSA-N 0 0 415.402 2.373 20 5 HEBDRN C[C@H](OC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745641920 1078571684 /nfs/dbraw/zinc/57/16/84/1078571684.db2.gz SWYCZXMLMCBQCY-LBPRGKRZSA-N 0 0 410.386 2.376 20 5 HEBDRN CC[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1=O ZINC000745694671 1078590151 /nfs/dbraw/zinc/59/01/51/1078590151.db2.gz JBVMCIXUAZCOEV-GFCCVEGCSA-N 0 0 417.340 2.496 20 5 HEBDRN CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769896019 1078618400 /nfs/dbraw/zinc/61/84/00/1078618400.db2.gz UPDREYIWAHUUBP-CYBMUJFWSA-N 0 0 421.928 2.489 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccccc1 ZINC000769899492 1078620878 /nfs/dbraw/zinc/62/08/78/1078620878.db2.gz WVXQYBKCYTUGBI-UHFFFAOYSA-N 0 0 408.827 2.011 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000769904487 1078626437 /nfs/dbraw/zinc/62/64/37/1078626437.db2.gz FGWRUUDLIIDHEZ-HUUCEWRRSA-N 0 0 417.915 2.478 20 5 HEBDRN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1nccn2cnnc12 ZINC000770011900 1078667896 /nfs/dbraw/zinc/66/78/96/1078667896.db2.gz VVLDEEINGRJLPD-NSHDSACASA-N 0 0 416.829 2.429 20 5 HEBDRN CCOC(=O)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000770088476 1078714812 /nfs/dbraw/zinc/71/48/12/1078714812.db2.gz SNXINTOAHYJYKH-NSHDSACASA-N 0 0 400.229 2.247 20 5 HEBDRN CNS(=O)(=O)c1ccc(NCC(C)(C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000745973305 1078715431 /nfs/dbraw/zinc/71/54/31/1078715431.db2.gz IERRFRHZMNPQFU-UHFFFAOYSA-N 0 0 402.473 2.218 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc1OC ZINC000746011733 1078731104 /nfs/dbraw/zinc/73/11/04/1078731104.db2.gz MIRONMHGGSISOH-HXUWFJFHSA-N 0 0 422.434 2.476 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OCCOC3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000770116102 1078737420 /nfs/dbraw/zinc/73/74/20/1078737420.db2.gz SVSDKHNHVIPDSC-UHFFFAOYSA-N 0 0 405.451 2.379 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000770129387 1078741966 /nfs/dbraw/zinc/74/19/66/1078741966.db2.gz XJKJTDYLPBIFJW-AWEZNQCLSA-N 0 0 403.888 2.187 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000770185408 1078752230 /nfs/dbraw/zinc/75/22/30/1078752230.db2.gz BRPNCLJJTHYLGO-UHFFFAOYSA-N 0 0 411.484 2.434 20 5 HEBDRN CC1(C)NC(=O)N(CCCOC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000770157579 1078757530 /nfs/dbraw/zinc/75/75/30/1078757530.db2.gz QRRVQOYWJCEPIQ-UHFFFAOYSA-N 0 0 414.212 2.235 20 5 HEBDRN C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000770157863 1078757635 /nfs/dbraw/zinc/75/76/35/1078757635.db2.gz UFZKSJJSTBNPMU-NOZJJQNGSA-N 0 0 401.213 2.198 20 5 HEBDRN Cc1ccc([C@@H](O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000770161880 1078759726 /nfs/dbraw/zinc/75/97/26/1078759726.db2.gz PCIKHQABOXCSEW-IBGZPJMESA-N 0 0 421.475 2.070 20 5 HEBDRN COC(=O)C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCOC1 ZINC000770170148 1078766627 /nfs/dbraw/zinc/76/66/27/1078766627.db2.gz SOJMUVSIJVGKLO-OAHLLOKOSA-N 0 0 401.213 2.199 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H](CO)c2ccsc2)c1 ZINC000770277384 1078804489 /nfs/dbraw/zinc/80/44/89/1078804489.db2.gz XJLZLOOXJJIHFX-NSHDSACASA-N 0 0 407.267 2.431 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H](CO)c1ccsc1 ZINC000770277338 1078804541 /nfs/dbraw/zinc/80/45/41/1078804541.db2.gz VVZGRDMZZWNYCP-SNVBAGLBSA-N 0 0 407.267 2.431 20 5 HEBDRN O=C(C1CCCC1)N1CC(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000770285529 1078808365 /nfs/dbraw/zinc/80/83/65/1078808365.db2.gz CRQVFANWVQOJRX-UHFFFAOYSA-N 0 0 405.432 2.253 20 5 HEBDRN C[C@H]1CCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000770249228 1078811491 /nfs/dbraw/zinc/81/14/91/1078811491.db2.gz SGWUCTTVVQSGJY-LBPRGKRZSA-N 0 0 422.429 2.465 20 5 HEBDRN Cn1cc(COC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c(C(F)F)n1 ZINC000770393968 1078841257 /nfs/dbraw/zinc/84/12/57/1078841257.db2.gz XIFDQZHVTBVTIC-UHFFFAOYSA-N 0 0 414.277 2.302 20 5 HEBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(OC)c(OC)c1 ZINC000746297800 1078845905 /nfs/dbraw/zinc/84/59/05/1078845905.db2.gz MTNPXGNTPJMNTI-OAHLLOKOSA-N 0 0 403.391 2.228 20 5 HEBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000770456274 1078861903 /nfs/dbraw/zinc/86/19/03/1078861903.db2.gz MTOPWQAQFGPVID-UHFFFAOYSA-N 0 0 421.765 2.045 20 5 HEBDRN Cc1ccc(CCNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000065445521 1078886304 /nfs/dbraw/zinc/88/63/04/1078886304.db2.gz IYIVXYJHJTXLEI-UHFFFAOYSA-N 0 0 420.491 2.032 20 5 HEBDRN COc1cc([C@H]2NC(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000770622406 1078919665 /nfs/dbraw/zinc/91/96/65/1078919665.db2.gz BOFVFXLYSFDXGH-RDTXWAMCSA-N 0 0 418.450 2.211 20 5 HEBDRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000770623418 1078920154 /nfs/dbraw/zinc/92/01/54/1078920154.db2.gz MCWPHFUUTGTMSF-DYVFJYSZSA-N 0 0 405.407 2.296 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COc2ccccc2C1 ZINC000746430322 1078928979 /nfs/dbraw/zinc/92/89/79/1078928979.db2.gz DNKSRWCMMNANMG-CYBMUJFWSA-N 0 0 407.448 2.440 20 5 HEBDRN O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766384972 1078933847 /nfs/dbraw/zinc/93/38/47/1078933847.db2.gz HYDHKOHGIRHJQB-UHFFFAOYSA-N 0 0 406.358 2.081 20 5 HEBDRN COC(=O)c1ccc2c(c1)CN(CN1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000770655848 1078941899 /nfs/dbraw/zinc/94/18/99/1078941899.db2.gz LQXOQPGIWHGWNO-UHFFFAOYSA-N 0 0 424.413 2.166 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccccc2)C1 ZINC000746429799 1078944378 /nfs/dbraw/zinc/94/43/78/1078944378.db2.gz USYTUOIBMWARCX-QGZVFWFLSA-N 0 0 407.448 2.355 20 5 HEBDRN COc1cccc(NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1F ZINC000770717953 1078946192 /nfs/dbraw/zinc/94/61/92/1078946192.db2.gz DGZODOOXENZPTA-UHFFFAOYSA-N 0 0 402.382 2.030 20 5 HEBDRN COC(=O)c1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)ccc1F ZINC000766389221 1078946847 /nfs/dbraw/zinc/94/68/47/1078946847.db2.gz OUNPUYBFDOUHEV-UHFFFAOYSA-N 0 0 415.333 2.426 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1 ZINC000770700724 1078968999 /nfs/dbraw/zinc/96/89/99/1078968999.db2.gz KWUGZPIBZUTLRD-MRVPVSSYSA-N 0 0 402.285 2.296 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000770703025 1078970702 /nfs/dbraw/zinc/97/07/02/1078970702.db2.gz PQACMMIEUQSYOU-NXEZZACHSA-N 0 0 412.786 2.084 20 5 HEBDRN CN(CCc1cnccn1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770704354 1078972013 /nfs/dbraw/zinc/97/20/13/1078972013.db2.gz GZYRSKDQTDLYFG-UHFFFAOYSA-N 0 0 401.242 2.011 20 5 HEBDRN CC1(C)CN=C(N2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)S1 ZINC000746463972 1079011456 /nfs/dbraw/zinc/01/14/56/1079011456.db2.gz RKGDJHRODQSHEB-MRXNPFEDSA-N 0 0 403.508 2.199 20 5 HEBDRN CC(=O)N1CCC[C@@H](COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000766477157 1079021852 /nfs/dbraw/zinc/02/18/52/1079021852.db2.gz GQOYSSLXKKGULY-CQSZACIVSA-N 0 0 405.407 2.085 20 5 HEBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)OC(C)(C)C ZINC000766481888 1079034050 /nfs/dbraw/zinc/03/40/50/1079034050.db2.gz KTSZXODBVXRBFO-UHFFFAOYSA-N 0 0 410.452 2.288 20 5 HEBDRN CN(C(=O)c1cccc([S@](C)=O)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770846713 1079035908 /nfs/dbraw/zinc/03/59/08/1079035908.db2.gz KJLPUHBUDQMRQM-VWLOTQADSA-N 0 0 416.864 2.447 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000766497365 1079039898 /nfs/dbraw/zinc/03/98/98/1079039898.db2.gz IYMITMQVPUJUQG-UHFFFAOYSA-N 0 0 408.436 2.041 20 5 HEBDRN COc1ccc(C2(CNc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CCOCC2)cc1 ZINC000543691931 1079044435 /nfs/dbraw/zinc/04/44/35/1079044435.db2.gz MRNREFKNKJLYFB-UHFFFAOYSA-N 0 0 421.475 2.411 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770886477 1079060793 /nfs/dbraw/zinc/06/07/93/1079060793.db2.gz NSQVIIAVJCXQBX-GFCCVEGCSA-N 0 0 415.356 2.144 20 5 HEBDRN C[C@H](Oc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1)C(N)=O ZINC000766521167 1079067069 /nfs/dbraw/zinc/06/70/69/1079067069.db2.gz WJXRSXMEBLSOSM-NSHDSACASA-N 0 0 417.399 2.163 20 5 HEBDRN Cc1cn(-c2ccccc2)nc1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000770873056 1079076834 /nfs/dbraw/zinc/07/68/34/1079076834.db2.gz WNHYCJVPPUIOAV-UHFFFAOYSA-N 0 0 409.402 2.457 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000770964757 1079090835 /nfs/dbraw/zinc/09/08/35/1079090835.db2.gz MCKUCZHFRPZSKL-KRWDZBQOSA-N 0 0 404.419 2.047 20 5 HEBDRN Cc1c(C(=O)OCc2ncn(-c3ccccc3)n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000770978891 1079092973 /nfs/dbraw/zinc/09/29/73/1079092973.db2.gz YOBQLGKBHRYGTQ-UHFFFAOYSA-N 0 0 405.374 2.422 20 5 HEBDRN CCO[C@H]1C[C@H](OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCOCC2 ZINC000770993926 1079098119 /nfs/dbraw/zinc/09/81/19/1079098119.db2.gz QNVGXNCXCKEWSU-HOTGVXAUSA-N 0 0 424.475 2.303 20 5 HEBDRN O=C(OCc1ccccc1)N1CC(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC000766563423 1079100348 /nfs/dbraw/zinc/10/03/48/1079100348.db2.gz JSGPPLOIMNBAMT-UHFFFAOYSA-N 0 0 410.379 2.464 20 5 HEBDRN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000785485371 1079101862 /nfs/dbraw/zinc/10/18/62/1079101862.db2.gz FOVUWKGCINUVIT-ABAIWWIYSA-N 0 0 423.413 2.243 20 5 HEBDRN O=C(NCC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000766568253 1079102857 /nfs/dbraw/zinc/10/28/57/1079102857.db2.gz NXUXYMCSPAGZSK-MRXNPFEDSA-N 0 0 413.430 2.391 20 5 HEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766565646 1079110782 /nfs/dbraw/zinc/11/07/82/1079110782.db2.gz WXCGXFXIJSVLIY-UHFFFAOYSA-N 0 0 421.353 2.036 20 5 HEBDRN COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC001169075919 1079125860 /nfs/dbraw/zinc/12/58/60/1079125860.db2.gz QHKDQMQHEAPVKB-GOSISDBHSA-N 0 0 414.842 2.448 20 5 HEBDRN O=C(Cc1noc(C2(O)CCCCC2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000771054904 1079116520 /nfs/dbraw/zinc/11/65/20/1079116520.db2.gz KZMYJZBNHIGECA-UHFFFAOYSA-N 0 0 404.379 2.082 20 5 HEBDRN Cc1ccc(-c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)cn1 ZINC000771085126 1079136075 /nfs/dbraw/zinc/13/60/75/1079136075.db2.gz ISRBUTUZAKGUMT-UHFFFAOYSA-N 0 0 408.418 2.240 20 5 HEBDRN CC(C)(C)OCc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771085173 1079136177 /nfs/dbraw/zinc/13/61/77/1079136177.db2.gz IUSUGRFOIWWHNL-UHFFFAOYSA-N 0 0 403.439 2.184 20 5 HEBDRN CCc1nc(-c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)co1 ZINC000771087920 1079145690 /nfs/dbraw/zinc/14/56/90/1079145690.db2.gz MXITUASOBDKYMK-UHFFFAOYSA-N 0 0 412.406 2.087 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1(F)F ZINC001169167622 1079175848 /nfs/dbraw/zinc/17/58/48/1079175848.db2.gz KJKABXTZCFLUPM-LLVKDONJSA-N 0 0 402.350 2.273 20 5 HEBDRN COc1ccc(CNC(=O)Cc2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000771162652 1079176701 /nfs/dbraw/zinc/17/67/01/1079176701.db2.gz NITPQIPYKCYKHI-UHFFFAOYSA-N 0 0 422.401 2.243 20 5 HEBDRN CCCNC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000771165760 1079181215 /nfs/dbraw/zinc/18/12/15/1079181215.db2.gz MXKKBTLLDDXTPZ-UHFFFAOYSA-N 0 0 416.175 2.318 20 5 HEBDRN C[S@@](=O)CCN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000771142547 1079191621 /nfs/dbraw/zinc/19/16/21/1079191621.db2.gz BCAZVCOPMNDIHG-HHHXNRCGSA-N 0 0 410.374 2.022 20 5 HEBDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000771177993 1079211116 /nfs/dbraw/zinc/21/11/16/1079211116.db2.gz CBBQWBMKXRQBLQ-UHFFFAOYSA-N 0 0 413.862 2.159 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000771169613 1079206396 /nfs/dbraw/zinc/20/63/96/1079206396.db2.gz VAKOWKFUEWRSHM-UHFFFAOYSA-N 0 0 423.451 2.293 20 5 HEBDRN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771187871 1079213825 /nfs/dbraw/zinc/21/38/25/1079213825.db2.gz CCDJRIWYDKQDON-INIZCTEOSA-N 0 0 411.414 2.243 20 5 HEBDRN Cc1cc(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771187189 1079214188 /nfs/dbraw/zinc/21/41/88/1079214188.db2.gz YLVJIPHYTRXWMY-UHFFFAOYSA-N 0 0 406.411 2.289 20 5 HEBDRN O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000771189015 1079214843 /nfs/dbraw/zinc/21/48/43/1079214843.db2.gz KKRCGFYRCFNOTL-CYBMUJFWSA-N 0 0 412.358 2.004 20 5 HEBDRN COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000771228644 1079217827 /nfs/dbraw/zinc/21/78/27/1079217827.db2.gz MINUOQBKNVHCAR-TXEJJXNPSA-N 0 0 407.402 2.318 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001169307947 1079231498 /nfs/dbraw/zinc/23/14/98/1079231498.db2.gz AHQWYKHUASKFCE-IAGOWNOFSA-N 0 0 417.466 2.436 20 5 HEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771294598 1079268948 /nfs/dbraw/zinc/26/89/48/1079268948.db2.gz UMSFARYRGIUSAJ-PYUISTEWSA-N 0 0 421.409 2.132 20 5 HEBDRN O=C(CCNS(=O)(=O)c1ccc(F)cc1)OCCOc1ccccc1[N+](=O)[O-] ZINC000771314984 1079280287 /nfs/dbraw/zinc/28/02/87/1079280287.db2.gz FGTUNQGQEOLDPZ-UHFFFAOYSA-N 0 0 412.395 2.025 20 5 HEBDRN O=C(N[C@H](CO)[C@H](O)C1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001169412683 1079288642 /nfs/dbraw/zinc/28/86/42/1079288642.db2.gz AVMVEKJZUZKHGM-YLJYHZDGSA-N 0 0 405.495 2.230 20 5 HEBDRN O=C(CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC000804327626 1079307097 /nfs/dbraw/zinc/30/70/97/1079307097.db2.gz QFEMPZYEBGXPKC-UHFFFAOYSA-N 0 0 403.370 2.403 20 5 HEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000804329299 1079307815 /nfs/dbraw/zinc/30/78/15/1079307815.db2.gz FQTIBSXOBFTYMR-UHFFFAOYSA-N 0 0 422.419 2.136 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1S(C)(=O)=O ZINC000771413152 1079311004 /nfs/dbraw/zinc/31/10/04/1079311004.db2.gz HSOFPWWJXHIRKK-LLVKDONJSA-N 0 0 422.415 2.191 20 5 HEBDRN C[C@@H](c1nccs1)N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000766753677 1079332578 /nfs/dbraw/zinc/33/25/78/1079332578.db2.gz ZSCIWOLMCRJKEH-SUMWQHHRSA-N 0 0 415.475 2.450 20 5 HEBDRN Cn1cnn(-c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2)c1=O ZINC000771461113 1079334907 /nfs/dbraw/zinc/33/49/07/1079334907.db2.gz OFSPMXZCQPRFJF-UHFFFAOYSA-N 0 0 402.798 2.454 20 5 HEBDRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3cc(F)cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000771484222 1079354660 /nfs/dbraw/zinc/35/46/60/1079354660.db2.gz OJYZXPUCMKERJE-LJQANCHMSA-N 0 0 417.349 2.115 20 5 HEBDRN COc1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000766771713 1079354936 /nfs/dbraw/zinc/35/49/36/1079354936.db2.gz JXVVKKAWXBEHJV-NVXWUHKLSA-N 0 0 403.439 2.135 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766772231 1079355154 /nfs/dbraw/zinc/35/51/54/1079355154.db2.gz OAOGAFQOBFCROX-WBVHZDCISA-N 0 0 403.439 2.135 20 5 HEBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(CCc2ccncc2)CC1 ZINC001169664947 1079360876 /nfs/dbraw/zinc/36/08/76/1079360876.db2.gz BSXUVIUHNCYOSY-UHFFFAOYSA-N 0 0 406.446 2.176 20 5 HEBDRN CCc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000771504417 1079364660 /nfs/dbraw/zinc/36/46/60/1079364660.db2.gz UBEGIOIYFFFACR-UHFFFAOYSA-N 0 0 407.433 2.062 20 5 HEBDRN O=C(NCCCN1C(=O)COc2ccccc21)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771507396 1079365173 /nfs/dbraw/zinc/36/51/73/1079365173.db2.gz ARIDKXLRYSDQGL-UHFFFAOYSA-N 0 0 413.415 2.145 20 5 HEBDRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000771511719 1079367240 /nfs/dbraw/zinc/36/72/40/1079367240.db2.gz VLZVYEKQVXDKAP-KAMYIIQDSA-N 0 0 401.444 2.464 20 5 HEBDRN CCc1nsc(N2CCCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC2)n1 ZINC000771511985 1079367283 /nfs/dbraw/zinc/36/72/83/1079367283.db2.gz YNPSFXAMEUDSSC-UHFFFAOYSA-N 0 0 419.492 2.366 20 5 HEBDRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771519084 1079369811 /nfs/dbraw/zinc/36/98/11/1079369811.db2.gz CDBJYBKDYUHAES-LLVKDONJSA-N 0 0 419.369 2.413 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000766788977 1079378773 /nfs/dbraw/zinc/37/87/73/1079378773.db2.gz JOVMPQIXEKFSRN-UHFFFAOYSA-N 0 0 420.325 2.390 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000771583048 1079380570 /nfs/dbraw/zinc/38/05/70/1079380570.db2.gz WEEGTNZJIOBCJY-LLVKDONJSA-N 0 0 410.814 2.329 20 5 HEBDRN Cc1cccc(CCCOC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000771598164 1079391081 /nfs/dbraw/zinc/39/10/81/1079391081.db2.gz WPRLLAULSXDOPE-UHFFFAOYSA-N 0 0 407.448 2.143 20 5 HEBDRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000771621786 1079405104 /nfs/dbraw/zinc/40/51/04/1079405104.db2.gz KCWWYQNQFBIQLQ-STQMWFEESA-N 0 0 418.450 2.478 20 5 HEBDRN O=C(Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000771624351 1079407512 /nfs/dbraw/zinc/40/75/12/1079407512.db2.gz OEOZGTDSDVBSNC-UHFFFAOYSA-N 0 0 413.346 2.324 20 5 HEBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000771628147 1079411508 /nfs/dbraw/zinc/41/15/08/1079411508.db2.gz SXEKWSPTQQAFIG-OLZOCXBDSA-N 0 0 418.450 2.478 20 5 HEBDRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000771628152 1079411751 /nfs/dbraw/zinc/41/17/51/1079411751.db2.gz SXEKWSPTQQAFIG-STQMWFEESA-N 0 0 418.450 2.478 20 5 HEBDRN Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1[N+](=O)[O-] ZINC000766838771 1079429222 /nfs/dbraw/zinc/42/92/22/1079429222.db2.gz BKLLHWRNHZHXTA-UHFFFAOYSA-N 0 0 400.796 2.188 20 5 HEBDRN Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000766851150 1079436429 /nfs/dbraw/zinc/43/64/29/1079436429.db2.gz JZQBGIXWZKWIDF-UKRRQHHQSA-N 0 0 414.871 2.259 20 5 HEBDRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H](O)c1ccc(F)cc1 ZINC000771671685 1079439373 /nfs/dbraw/zinc/43/93/73/1079439373.db2.gz HZLORAASGQLITD-KHIZAZIESA-N 0 0 405.382 2.170 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000766854340 1079440643 /nfs/dbraw/zinc/44/06/43/1079440643.db2.gz HVNUNDYUKWPDTF-JTQLQIEISA-N 0 0 419.365 2.286 20 5 HEBDRN COc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc1OC ZINC000804340988 1079445749 /nfs/dbraw/zinc/44/57/49/1079445749.db2.gz SPQORTAWWKEKCN-UHFFFAOYSA-N 0 0 416.390 2.483 20 5 HEBDRN COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879411 1079452722 /nfs/dbraw/zinc/45/27/22/1079452722.db2.gz IKQXTJVLMYWCJD-DOMZBBRYSA-N 0 0 403.273 2.203 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)cc([N+](=O)[O-])c1F ZINC000771733752 1079470714 /nfs/dbraw/zinc/47/07/14/1079470714.db2.gz ZKIXUVDLAGDRNI-UHFFFAOYSA-N 0 0 413.452 2.251 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1OC ZINC000771734108 1079470104 /nfs/dbraw/zinc/47/01/04/1079470104.db2.gz SWEDGCBHGBRFIB-UHFFFAOYSA-N 0 0 415.351 2.305 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)cc([N+](=O)[O-])c1F ZINC000771753110 1079483063 /nfs/dbraw/zinc/48/30/63/1079483063.db2.gz VYSMIQHNDQSRRP-UHFFFAOYSA-N 0 0 416.452 2.065 20 5 HEBDRN Cc1cc(S(=O)(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)cc([N+](=O)[O-])c1F ZINC000771751127 1079480955 /nfs/dbraw/zinc/48/09/55/1079480955.db2.gz JYWWEOKTLIDDFD-UHFFFAOYSA-N 0 0 418.424 2.060 20 5 HEBDRN COc1ccc(-c2nnc(CNS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)[nH]2)cc1 ZINC000771754294 1079484444 /nfs/dbraw/zinc/48/44/44/1079484444.db2.gz NLVNAXJHOFFOCD-UHFFFAOYSA-N 0 0 421.410 2.315 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cc([N+](=O)[O-])c1F ZINC000771756199 1079486708 /nfs/dbraw/zinc/48/67/08/1079486708.db2.gz NXCASXOFWGCUGJ-UHFFFAOYSA-N 0 0 421.450 2.250 20 5 HEBDRN O=C([C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N1CCCC[C@@H]1c1ncon1 ZINC000737615040 1075912321 /nfs/dbraw/zinc/91/23/21/1075912321.db2.gz IEJVIKLBRNBMNL-SMDDNHRTSA-N 0 0 403.370 2.224 20 5 HEBDRN CCOc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c(C(N)=O)c1 ZINC000737656693 1075917106 /nfs/dbraw/zinc/91/71/06/1075917106.db2.gz JMTCEJFGANSCQX-UHFFFAOYSA-N 0 0 410.390 2.234 20 5 HEBDRN O=C(O[C@H]1CCS(=O)(=O)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000737326816 1075917682 /nfs/dbraw/zinc/91/76/82/1075917682.db2.gz VBWGEWBJBBDSQE-VIFPVBQESA-N 0 0 420.230 2.431 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000771719753 1079489751 /nfs/dbraw/zinc/48/97/51/1079489751.db2.gz DMDLQHLZROLNMC-UHFFFAOYSA-N 0 0 413.471 2.456 20 5 HEBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)NC(=O)NCC(F)(F)F ZINC000766234764 1075961304 /nfs/dbraw/zinc/96/13/04/1075961304.db2.gz XNLCIVQOXXAMCQ-QMMMGPOBSA-N 0 0 414.296 2.076 20 5 HEBDRN CC[C@H](OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000738636078 1076011326 /nfs/dbraw/zinc/01/13/26/1076011326.db2.gz WORKKAIVANYKRS-KRWDZBQOSA-N 0 0 420.443 2.468 20 5 HEBDRN CC[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000738564527 1076012608 /nfs/dbraw/zinc/01/26/08/1076012608.db2.gz BKRTUPKRYMZXAQ-GFCCVEGCSA-N 0 0 411.436 2.420 20 5 HEBDRN CN(CC(=O)OCc1cc(-c2ccco2)on1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738672750 1076014933 /nfs/dbraw/zinc/01/49/33/1076014933.db2.gz DEEKYJPRPXKPQL-UHFFFAOYSA-N 0 0 421.387 2.207 20 5 HEBDRN COc1ccc(COC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000738675137 1076015356 /nfs/dbraw/zinc/01/53/56/1076015356.db2.gz XKHHGCSTSHKWLB-UHFFFAOYSA-N 0 0 412.395 2.106 20 5 HEBDRN COc1ccc(C)cc1COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738677785 1076015607 /nfs/dbraw/zinc/01/56/07/1076015607.db2.gz MEMJHLZXYQVRKX-UHFFFAOYSA-N 0 0 408.432 2.276 20 5 HEBDRN CCn1c(=O)c2ccccc2n(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1=O ZINC000739588683 1076064412 /nfs/dbraw/zinc/06/44/12/1076064412.db2.gz CLUCPWKFMPOLOI-UHFFFAOYSA-N 0 0 424.457 2.230 20 5 HEBDRN CC(C)(C(=O)NCCNS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000739512842 1076065576 /nfs/dbraw/zinc/06/55/76/1076065576.db2.gz YHJABFMXTMBSDV-UHFFFAOYSA-N 0 0 405.476 2.108 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766239431 1076082408 /nfs/dbraw/zinc/08/24/08/1076082408.db2.gz BTOQCSWSMHOSRK-INIZCTEOSA-N 0 0 417.384 2.207 20 5 HEBDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(C)(C)C ZINC000739987380 1076090481 /nfs/dbraw/zinc/09/04/81/1076090481.db2.gz ODYUBTKAWSSQBX-LLVKDONJSA-N 0 0 409.258 2.223 20 5 HEBDRN Nc1c(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc(F)cc1[N+](=O)[O-] ZINC000740155719 1076111748 /nfs/dbraw/zinc/11/17/48/1076111748.db2.gz SPTGFXDFASXNGR-ZDUSSCGKSA-N 0 0 411.773 2.204 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740160429 1076115040 /nfs/dbraw/zinc/11/50/40/1076115040.db2.gz ZTJCWDKOLHRGKK-HNNXBMFYSA-N 0 0 408.794 2.248 20 5 HEBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)c1ccsc1 ZINC000740115220 1076121869 /nfs/dbraw/zinc/12/18/69/1076121869.db2.gz WWEPSQKJZWUMNS-HOTGVXAUSA-N 0 0 423.516 2.358 20 5 HEBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)c1ccsc1 ZINC000740114885 1076121887 /nfs/dbraw/zinc/12/18/87/1076121887.db2.gz WWEPSQKJZWUMNS-CVEARBPZSA-N 0 0 423.516 2.358 20 5 HEBDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000740288979 1076138088 /nfs/dbraw/zinc/13/80/88/1076138088.db2.gz KSMGTCKKMMXMAX-KBPBESRZSA-N 0 0 407.423 2.430 20 5 HEBDRN O=C(CCCc1nc(C2CC2)no1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000740309389 1076141058 /nfs/dbraw/zinc/14/10/58/1076141058.db2.gz YTYWKTFPRNDMNJ-UHFFFAOYSA-N 0 0 400.391 2.310 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000766249577 1076148153 /nfs/dbraw/zinc/14/81/53/1076148153.db2.gz SBYSCUXGTVHUDP-UHFFFAOYSA-N 0 0 408.418 2.389 20 5 HEBDRN CC(C)(C(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000740392659 1076160445 /nfs/dbraw/zinc/16/04/45/1076160445.db2.gz ZISMDIMHSKUVPM-ZDUSSCGKSA-N 0 0 404.379 2.289 20 5 HEBDRN CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740409192 1076165325 /nfs/dbraw/zinc/16/53/25/1076165325.db2.gz BIVVNZWUQLHMEW-QMMMGPOBSA-N 0 0 402.201 2.137 20 5 HEBDRN CCOCCCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740424086 1076167061 /nfs/dbraw/zinc/16/70/61/1076167061.db2.gz YEIDWMKAJJOLSB-SNVBAGLBSA-N 0 0 403.229 2.445 20 5 HEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@]12CCC(=O)N1CCS2 ZINC000740582199 1076196843 /nfs/dbraw/zinc/19/68/43/1076196843.db2.gz WURQUIAKXFHPQR-AWEZNQCLSA-N 0 0 401.238 2.466 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H](C)CC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000740734077 1076219569 /nfs/dbraw/zinc/21/95/69/1076219569.db2.gz SPLVXAKYUYPZOW-RDTXWAMCSA-N 0 0 419.478 2.413 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740790540 1076238387 /nfs/dbraw/zinc/23/83/87/1076238387.db2.gz MRJRTUPRVQONST-UHFFFAOYSA-N 0 0 414.374 2.110 20 5 HEBDRN COC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740790700 1076238651 /nfs/dbraw/zinc/23/86/51/1076238651.db2.gz PBHRHAHJMOCIAN-UHFFFAOYSA-N 0 0 412.402 2.371 20 5 HEBDRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000740814275 1076262073 /nfs/dbraw/zinc/26/20/73/1076262073.db2.gz OUIOCKBPZADHDC-UHFFFAOYSA-N 0 0 413.402 2.362 20 5 HEBDRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740843604 1076265297 /nfs/dbraw/zinc/26/52/97/1076265297.db2.gz HHMDBIXEFFMMPT-INIZCTEOSA-N 0 0 420.466 2.183 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1 ZINC000740862609 1076273413 /nfs/dbraw/zinc/27/34/13/1076273413.db2.gz YSQBPRLCAKWORT-UHFFFAOYSA-N 0 0 416.507 2.464 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCOC2)cc1Br ZINC000740895629 1076294790 /nfs/dbraw/zinc/29/47/90/1076294790.db2.gz ONJOSYHSFHKFDQ-NSHDSACASA-N 0 0 423.285 2.079 20 5 HEBDRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000740924887 1076307683 /nfs/dbraw/zinc/30/76/83/1076307683.db2.gz DLHRDQSIYLCEOS-KRWDZBQOSA-N 0 0 421.335 2.355 20 5 HEBDRN C[C@@](O)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000740927716 1076308185 /nfs/dbraw/zinc/30/81/85/1076308185.db2.gz NYSPBNRVJWPUAX-GOSISDBHSA-N 0 0 403.345 2.091 20 5 HEBDRN O=C(COC(=O)c1ccccc1SCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000740967197 1076314580 /nfs/dbraw/zinc/31/45/80/1076314580.db2.gz NBJFHJRBCKFTCD-UHFFFAOYSA-N 0 0 402.428 2.425 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741028342 1076343941 /nfs/dbraw/zinc/34/39/41/1076343941.db2.gz YISGRHGFQFOFSG-KSMMKXTCSA-N 0 0 423.466 2.219 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000741028347 1076344013 /nfs/dbraw/zinc/34/40/13/1076344013.db2.gz YISGRHGFQFOFSG-NJSLBKSFSA-N 0 0 423.466 2.219 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000741218607 1076408152 /nfs/dbraw/zinc/40/81/52/1076408152.db2.gz ADFGIZMVMKYPDE-CQSZACIVSA-N 0 0 419.356 2.206 20 5 HEBDRN CCO[C@H]1C[C@@H](O)C12CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000741243566 1076433638 /nfs/dbraw/zinc/43/36/38/1076433638.db2.gz QNMCYYBRDBTPHX-CABCVRRESA-N 0 0 420.434 2.347 20 5 HEBDRN CCO[C@@H]1C[C@H](O)C12CCN(c1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000741244916 1076434084 /nfs/dbraw/zinc/43/40/84/1076434084.db2.gz ZHMIQMBFMSOWLM-LSDHHAIUSA-N 0 0 409.395 2.046 20 5 HEBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741260426 1076448344 /nfs/dbraw/zinc/44/83/44/1076448344.db2.gz UTBLLMWPSIZVAT-PBHICJAKSA-N 0 0 423.466 2.302 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000766268503 1076468294 /nfs/dbraw/zinc/46/82/94/1076468294.db2.gz MLYRVPXHLLKTDF-LBPRGKRZSA-N 0 0 420.285 2.229 20 5 HEBDRN Cn1cnnc1Sc1ccc(C(=O)OCCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000741303868 1076468724 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CC(=O)c1ccc(O)c(CCOC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000744457812 1077400763 /nfs/dbraw/zinc/40/07/63/1077400763.db2.gz WHDCEZJEFZEXFZ-UHFFFAOYSA-N 0 0 400.387 2.327 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000744490507 1077401828 /nfs/dbraw/zinc/40/18/28/1077401828.db2.gz ATEKQMINUPSYTB-QGZVFWFLSA-N 0 0 413.434 2.199 20 5 HEBDRN CCc1noc([C@H](C)OC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)n1 ZINC000744515244 1077431058 /nfs/dbraw/zinc/43/10/58/1077431058.db2.gz ZZYFEJOWXXPOKB-LBPRGKRZSA-N 0 0 417.422 2.127 20 5 HEBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCc1cccs1 ZINC000744553789 1077466265 /nfs/dbraw/zinc/46/62/65/1077466265.db2.gz IEYKGCFXCIEFDT-CYBMUJFWSA-N 0 0 419.459 2.355 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nnnn1-c1ccccc1 ZINC000744556518 1077468010 /nfs/dbraw/zinc/46/80/10/1077468010.db2.gz CLAPNANMLKYKIZ-AWEZNQCLSA-N 0 0 424.417 2.325 20 5 HEBDRN 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O=c1ccccn1Cc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768811687 1080788787 /nfs/dbraw/zinc/78/87/87/1080788787.db2.gz JCUPXZIXEDIJIE-UHFFFAOYSA-N 0 0 405.457 2.345 20 5 HEBDRN COc1ccc(OS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c([N+](=O)[O-])c1 ZINC000746603654 1080804065 /nfs/dbraw/zinc/80/40/65/1080804065.db2.gz RGRJREVNCGQEHB-UHFFFAOYSA-N 0 0 420.403 2.079 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cs1 ZINC000768850983 1080805499 /nfs/dbraw/zinc/80/54/99/1080805499.db2.gz ADEZLUYJINGDNI-PWSUYJOCSA-N 0 0 404.491 2.231 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000768831541 1080814941 /nfs/dbraw/zinc/81/49/41/1080814941.db2.gz FKQMWWIOAVAJCK-HNNXBMFYSA-N 0 0 400.387 2.174 20 5 HEBDRN O=C1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1c1ccccc1Cl ZINC000768838391 1080818752 /nfs/dbraw/zinc/81/87/52/1080818752.db2.gz SYNAFSYNFFWOTD-NSHDSACASA-N 0 0 401.853 2.394 20 5 HEBDRN CCN1C(=S)N=NC1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768838848 1080819924 /nfs/dbraw/zinc/81/99/24/1080819924.db2.gz XULUMCCDOJEMHN-UHFFFAOYSA-N 0 0 403.511 2.125 20 5 HEBDRN Cc1nn(C)c(C)c1NC(=O)COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786782323 1080820720 /nfs/dbraw/zinc/82/07/20/1080820720.db2.gz NQQDISIJVKYPFB-UHFFFAOYSA-N 0 0 413.390 2.054 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1nnnn1Cc1ccccc1 ZINC000786782250 1080820759 /nfs/dbraw/zinc/82/07/59/1080820759.db2.gz KTMVLGLZRWLOOQ-UHFFFAOYSA-N 0 0 420.385 2.300 20 5 HEBDRN O=C(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000768845532 1080822028 /nfs/dbraw/zinc/82/20/28/1080822028.db2.gz FOCNFOJNQRYOTA-UHFFFAOYSA-N 0 0 423.516 2.416 20 5 HEBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000786795795 1080825024 /nfs/dbraw/zinc/82/50/24/1080825024.db2.gz SQJNZTXHYPNQHK-UHFFFAOYSA-N 0 0 405.432 2.047 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CO)c2ccc(Br)cc2)cs1 ZINC000768881605 1080829494 /nfs/dbraw/zinc/82/94/94/1080829494.db2.gz CDBGPMWOZOIJPJ-NSHDSACASA-N 0 0 407.267 2.431 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CCO)c2ccco2)ccc1Br ZINC000768897917 1080838402 /nfs/dbraw/zinc/83/84/02/1080838402.db2.gz DKNCRVNHQXMYNE-NSHDSACASA-N 0 0 405.226 2.352 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000746611563 1080839023 /nfs/dbraw/zinc/83/90/23/1080839023.db2.gz ZIPWQHXEZNYTMS-WNNBVUDTSA-N 0 0 420.443 2.031 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([N+](=O)[O-])c1 ZINC000786815432 1080840471 /nfs/dbraw/zinc/84/04/71/1080840471.db2.gz MLNDLHYEILNOEQ-UHFFFAOYSA-N 0 0 422.419 2.021 20 5 HEBDRN CCOC(=O)c1csc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000786873783 1080864529 /nfs/dbraw/zinc/86/45/29/1080864529.db2.gz IXBRSQOPHOCVTR-UHFFFAOYSA-N 0 0 417.440 2.197 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000786913510 1080881189 /nfs/dbraw/zinc/88/11/89/1080881189.db2.gz DDCFSCJSUHPRFZ-LLVKDONJSA-N 0 0 403.432 2.412 20 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COc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000787014379 1080931971 /nfs/dbraw/zinc/93/19/71/1080931971.db2.gz UZYLZPRAHQFNHH-UHFFFAOYSA-N 0 0 404.383 2.255 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000769135704 1080953128 /nfs/dbraw/zinc/95/31/28/1080953128.db2.gz QHVYPUQVMQFNDJ-LLVKDONJSA-N 0 0 419.365 2.043 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000769144861 1080959011 /nfs/dbraw/zinc/95/90/11/1080959011.db2.gz ZEXGJPYTZLOWGT-INIZCTEOSA-N 0 0 410.496 2.410 20 5 HEBDRN CN1C[C@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2C1=O ZINC000787099005 1081012640 /nfs/dbraw/zinc/01/26/40/1081012640.db2.gz LUFWKWJEMPCTST-AWEZNQCLSA-N 0 0 401.350 2.085 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CN(C)C(=O)c2ccccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000787104207 1081015132 /nfs/dbraw/zinc/01/51/32/1081015132.db2.gz RVXSFCWIZHUIDA-NHYWBVRUSA-N 0 0 415.377 2.474 20 5 HEBDRN CNC(=O)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746630984 1081016903 /nfs/dbraw/zinc/01/69/03/1081016903.db2.gz GLJWNNAQNFGIMY-UHFFFAOYSA-N 0 0 415.221 2.485 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769270506 1081024315 /nfs/dbraw/zinc/02/43/15/1081024315.db2.gz DUUOCKJMIKWFPC-SECBINFHSA-N 0 0 400.819 2.216 20 5 HEBDRN CCC1(CC)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[S@]1=O ZINC000769271319 1081025048 /nfs/dbraw/zinc/02/50/48/1081025048.db2.gz YEJJRFWKPNYEPJ-AREMUKBSSA-N 0 0 401.872 2.336 20 5 HEBDRN C[C@@H]1CCC[C@@H]1CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000769284650 1081031577 /nfs/dbraw/zinc/03/15/77/1081031577.db2.gz VOZYANVMSMZGIE-ZIAGYGMSSA-N 0 0 412.464 2.347 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000787158028 1081037011 /nfs/dbraw/zinc/03/70/11/1081037011.db2.gz PRAANWVWKOLVKW-CJNGLKHVSA-N 0 0 418.450 2.216 20 5 HEBDRN CC(=O)N[C@H](CC1CCC1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000787173094 1081044781 /nfs/dbraw/zinc/04/47/81/1081044781.db2.gz BOZMSZAVIQNARF-OAHLLOKOSA-N 0 0 405.407 2.131 20 5 HEBDRN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1Br ZINC000780666492 1081048830 /nfs/dbraw/zinc/04/88/30/1081048830.db2.gz JRRAXJGTONQDDI-UHFFFAOYSA-N 0 0 416.209 2.478 20 5 HEBDRN COC(=O)c1ccc(OC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1Cl ZINC000769511187 1081102491 /nfs/dbraw/zinc/10/24/91/1081102491.db2.gz YEEBLHVPNBCBAE-UHFFFAOYSA-N 0 0 418.745 2.236 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000769576587 1081132469 /nfs/dbraw/zinc/13/24/69/1081132469.db2.gz JBQSRVXNVAQJOC-UHFFFAOYSA-N 0 0 413.430 2.105 20 5 HEBDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000769602759 1081165279 /nfs/dbraw/zinc/16/52/79/1081165279.db2.gz YESXBQIXLUHVGD-UHFFFAOYSA-N 0 0 415.402 2.078 20 5 HEBDRN COC(=O)Nc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000769601527 1081165295 /nfs/dbraw/zinc/16/52/95/1081165295.db2.gz RNLDYLWYSYDCHG-UHFFFAOYSA-N 0 0 417.374 2.255 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)c2ccc(CCNC(C)=O)cc2)c1[N+](=O)[O-] ZINC000769604981 1081166496 /nfs/dbraw/zinc/16/64/96/1081166496.db2.gz PDVLULADYOOLAG-UHFFFAOYSA-N 0 0 400.387 2.322 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])C1=O ZINC000769606128 1081167232 /nfs/dbraw/zinc/16/72/32/1081167232.db2.gz RNJADAUDVYMZTL-CYBMUJFWSA-N 0 0 420.399 2.414 20 5 HEBDRN COc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000769606183 1081167707 /nfs/dbraw/zinc/16/77/07/1081167707.db2.gz RYQLFKWNGOIZJH-NSHDSACASA-N 0 0 422.415 2.403 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000769620745 1081177699 /nfs/dbraw/zinc/17/76/99/1081177699.db2.gz CSTPBUNQFVSGFG-UHFFFAOYSA-N 0 0 410.358 2.397 20 5 HEBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164702109 719849470 /nfs/dbraw/zinc/84/94/70/719849470.db2.gz NYIXIHNSYCPHLG-UTKZUKDTSA-N 0 0 414.462 2.376 20 5 HEBDRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C3)n1 ZINC001164806460 720053543 /nfs/dbraw/zinc/05/35/43/720053543.db2.gz RYNAVEDIKLPFNV-IINYFYTJSA-N 0 0 401.757 2.284 20 5 HEBDRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1 ZINC001164884875 721455513 /nfs/dbraw/zinc/45/55/13/721455513.db2.gz BMTFZTXCXCVDIH-MJBXVCDLSA-N 0 0 416.812 2.451 20 5 HEBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001165009517 721712713 /nfs/dbraw/zinc/71/27/13/721712713.db2.gz UQSJWLXEUMIDIM-JXMROGBWSA-N 0 0 414.514 2.364 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164914855 721786109 /nfs/dbraw/zinc/78/61/09/721786109.db2.gz GKLVIYIWXFWNJS-OAQYLSRUSA-N 0 0 413.478 2.109 20 5 HEBDRN COc1nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)ncc1[N+](=O)[O-] ZINC001164986755 722173969 /nfs/dbraw/zinc/17/39/69/722173969.db2.gz LNRPLELBJHOUBK-ZBFHGGJFSA-N 0 0 420.495 2.028 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000769623127 1078476469 /nfs/dbraw/zinc/47/64/69/1078476469.db2.gz XPRXRWAWIMMYEG-GFCCVEGCSA-N 0 0 415.328 2.251 20 5 HEBDRN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769669331 1078508260 /nfs/dbraw/zinc/50/82/60/1078508260.db2.gz LIHMCYVJMYGYSN-BETUJISGSA-N 0 0 417.418 2.195 20 5 HEBDRN COC(=O)c1cc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c(C)o1 ZINC000769669065 1078508680 /nfs/dbraw/zinc/50/86/80/1078508680.db2.gz JACPCOJHULCVIW-UHFFFAOYSA-N 0 0 416.342 2.293 20 5 HEBDRN CCCN(CCC)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769672548 1078513827 /nfs/dbraw/zinc/51/38/27/1078513827.db2.gz JXAGAUMUVAGMQM-UHFFFAOYSA-N 0 0 405.407 2.054 20 5 HEBDRN COc1cc(/C=C/C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc(OC)c1O ZINC000745514569 1078533786 /nfs/dbraw/zinc/53/37/86/1078533786.db2.gz YHIBSHQRKFHVKV-ZZXKWVIFSA-N 0 0 402.359 2.173 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000745517839 1078537484 /nfs/dbraw/zinc/53/74/84/1078537484.db2.gz BQWPZPTYHMGBBI-UHFFFAOYSA-N 0 0 423.813 2.250 20 5 HEBDRN O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000745567522 1078542164 /nfs/dbraw/zinc/54/21/64/1078542164.db2.gz BEJKPSMVHKGOEZ-UHFFFAOYSA-N 0 0 418.324 2.136 20 5 HEBDRN Nc1ncnc2c1ncn2CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000745543258 1078542641 /nfs/dbraw/zinc/54/26/41/1078542641.db2.gz ZMAATKHKJSKVEK-UHFFFAOYSA-N 0 0 411.422 2.164 20 5 HEBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCSC2(CCOCC2)C1 ZINC000769775226 1078550599 /nfs/dbraw/zinc/55/05/99/1078550599.db2.gz RIPGMFNZWUELCT-UHFFFAOYSA-N 0 0 402.476 2.374 20 5 HEBDRN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn(Cc2cccs2)nn1 ZINC000745560192 1078546931 /nfs/dbraw/zinc/54/69/31/1078546931.db2.gz GSIFCVMBIHABTB-MRXNPFEDSA-N 0 0 413.415 2.258 20 5 HEBDRN CN(C(=O)COC(=O)c1cn(Cc2cccs2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000745561342 1078546967 /nfs/dbraw/zinc/54/69/67/1078546967.db2.gz MNDZICLBTIFVRK-UHFFFAOYSA-N 0 0 401.404 2.116 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000769748060 1078557955 /nfs/dbraw/zinc/55/79/55/1078557955.db2.gz VYXVPNMSKDKKJK-UHFFFAOYSA-N 0 0 410.390 2.337 20 5 HEBDRN CN(CC(=O)OCc1nc(N)nc(Nc2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000745619247 1078561012 /nfs/dbraw/zinc/56/10/12/1078561012.db2.gz WSNLVYFTWGHXBH-UHFFFAOYSA-N 0 0 409.406 2.285 20 5 HEBDRN COc1ccccc1[C@@H](C)NC(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745614380 1078567307 /nfs/dbraw/zinc/56/73/07/1078567307.db2.gz CKMVWUMMZJLUCN-CQSZACIVSA-N 0 0 401.419 2.460 20 5 HEBDRN COc1ccccc1CNC(=O)[C@H](C)OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000745615399 1078567704 /nfs/dbraw/zinc/56/77/04/1078567704.db2.gz VAXNMXXKBYNGAY-AWEZNQCLSA-N 0 0 401.419 2.288 20 5 HEBDRN C[C@@H](OC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745681421 1078584338 /nfs/dbraw/zinc/58/43/38/1078584338.db2.gz KLCJFSUNFZMFQN-CHWSQXEVSA-N 0 0 410.390 2.380 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000745683169 1078595663 /nfs/dbraw/zinc/59/56/63/1078595663.db2.gz DRPZKGHHTDKJSU-ZDUSSCGKSA-N 0 0 410.390 2.300 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000769842888 1078604268 /nfs/dbraw/zinc/60/42/68/1078604268.db2.gz LQYWEFXXVZQVLB-UHFFFAOYSA-N 0 0 412.855 2.166 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000769895797 1078618564 /nfs/dbraw/zinc/61/85/64/1078618564.db2.gz HPKFGDUSIQTAAL-UHFFFAOYSA-N 0 0 415.830 2.404 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769904485 1078626477 /nfs/dbraw/zinc/62/64/77/1078626477.db2.gz FGWRUUDLIIDHEZ-GJZGRUSLSA-N 0 0 417.915 2.478 20 5 HEBDRN COc1cc(OC)cc([C@@H](O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000769900048 1078622682 /nfs/dbraw/zinc/62/26/82/1078622682.db2.gz WNPYSVUIMBDIAS-ZDUSSCGKSA-N 0 0 402.450 2.223 20 5 HEBDRN CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769901300 1078623899 /nfs/dbraw/zinc/62/38/99/1078623899.db2.gz NUJGKUCXDILFOE-LBPRGKRZSA-N 0 0 407.901 2.099 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000769905377 1078627066 /nfs/dbraw/zinc/62/70/66/1078627066.db2.gz ICPYYSJWWAGWFB-ZDUSSCGKSA-N 0 0 403.888 2.042 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000769890161 1078644929 /nfs/dbraw/zinc/64/49/29/1078644929.db2.gz BRHKOXYIOFMJND-UHFFFAOYSA-N 0 0 411.867 2.494 20 5 HEBDRN O=C(COC(=O)c1nnn(C2CC2)c1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000745771820 1078648440 /nfs/dbraw/zinc/64/84/40/1078648440.db2.gz QYZFFQWWCOUMHR-UHFFFAOYSA-N 0 0 417.275 2.475 20 5 HEBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)O[C@H]1CCNC1=O ZINC000769969357 1078659020 /nfs/dbraw/zinc/65/90/20/1078659020.db2.gz HSMQQTRJQCKIEK-SFHVURJKSA-N 0 0 406.398 2.422 20 5 HEBDRN O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000769924859 1078660906 /nfs/dbraw/zinc/66/09/06/1078660906.db2.gz BBFVOPBVJOCLQA-UHFFFAOYSA-N 0 0 404.154 2.428 20 5 HEBDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770012680 1078667415 /nfs/dbraw/zinc/66/74/15/1078667415.db2.gz FNLSFWYOJPWPCM-CYBMUJFWSA-N 0 0 409.874 2.409 20 5 HEBDRN NS(=O)(=O)C[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000745972741 1078714990 /nfs/dbraw/zinc/71/49/90/1078714990.db2.gz BDWYFASLYZXHHC-QMMMGPOBSA-N 0 0 412.346 2.027 20 5 HEBDRN C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2NC1=O ZINC000745985446 1078727179 /nfs/dbraw/zinc/72/71/79/1078727179.db2.gz IPCZDPPXBMPYGT-MRXNPFEDSA-N 0 0 423.473 2.338 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc2[N+](=O)[O-])CC1 ZINC000770139536 1078744523 /nfs/dbraw/zinc/74/45/23/1078744523.db2.gz BUNNVYIRZVJGDT-AYOQOUSVSA-N 0 0 417.462 2.234 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000770129388 1078741839 /nfs/dbraw/zinc/74/18/39/1078741839.db2.gz XJKJTDYLPBIFJW-CQSZACIVSA-N 0 0 403.888 2.187 20 5 HEBDRN C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000770157869 1078757626 /nfs/dbraw/zinc/75/76/26/1078757626.db2.gz UFZKSJJSTBNPMU-TVQRCGJNSA-N 0 0 401.213 2.198 20 5 HEBDRN CCn1c(=O)c2ccccc2n(CC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1=O ZINC000746063613 1078761362 /nfs/dbraw/zinc/76/13/62/1078761362.db2.gz OZQNIIJMWNPZMH-UHFFFAOYSA-N 0 0 417.805 2.488 20 5 HEBDRN CC(C)OC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCO1 ZINC000770227610 1078775057 /nfs/dbraw/zinc/77/50/57/1078775057.db2.gz JWTVVNKSQQMPIA-INIZCTEOSA-N 0 0 413.496 2.010 20 5 HEBDRN Cc1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000746108940 1078789050 /nfs/dbraw/zinc/78/90/50/1078789050.db2.gz IWLSLGLHYBIOIZ-UHFFFAOYSA-N 0 0 404.448 2.403 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000746126788 1078798514 /nfs/dbraw/zinc/79/85/14/1078798514.db2.gz FPPRILUTMKJLQL-INIZCTEOSA-N 0 0 412.454 2.067 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CO)c2ccsc2)ccc1Br ZINC000770275173 1078803152 /nfs/dbraw/zinc/80/31/52/1078803152.db2.gz KGZQYXFNMBTGHW-NSHDSACASA-N 0 0 407.267 2.431 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)c1ccsc1 ZINC000770277337 1078804426 /nfs/dbraw/zinc/80/44/26/1078804426.db2.gz VVZGRDMZZWNYCP-JTQLQIEISA-N 0 0 407.267 2.431 20 5 HEBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2cccnc21 ZINC000770283056 1078806788 /nfs/dbraw/zinc/80/67/88/1078806788.db2.gz MVALERCOOUDYCU-UHFFFAOYSA-N 0 0 420.424 2.241 20 5 HEBDRN O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000746177414 1078811358 /nfs/dbraw/zinc/81/13/58/1078811358.db2.gz MNVGAGITDCLEDN-UHFFFAOYSA-N 0 0 410.383 2.153 20 5 HEBDRN CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000770331476 1078815627 /nfs/dbraw/zinc/81/56/27/1078815627.db2.gz VWUMWXRRNLZCBU-UHFFFAOYSA-N 0 0 413.228 2.406 20 5 HEBDRN O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000746189113 1078820137 /nfs/dbraw/zinc/82/01/37/1078820137.db2.gz VVGCRZDGQDUDRK-UHFFFAOYSA-N 0 0 423.341 2.205 20 5 HEBDRN CC(C)OC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000770298851 1078821505 /nfs/dbraw/zinc/82/15/05/1078821505.db2.gz WULHTZLDCPXMMK-NSHDSACASA-N 0 0 423.285 2.172 20 5 HEBDRN O=C(CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000746216953 1078824174 /nfs/dbraw/zinc/82/41/74/1078824174.db2.gz ZBKALGPOCGHAPP-UHFFFAOYSA-N 0 0 408.886 2.409 20 5 HEBDRN CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746235947 1078827944 /nfs/dbraw/zinc/82/79/44/1078827944.db2.gz OMYFQAABRBUECJ-LJAQVGFWSA-N 0 0 420.399 2.247 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000746315684 1078855589 /nfs/dbraw/zinc/85/55/89/1078855589.db2.gz FYCUWTNOBDSPFG-UHFFFAOYSA-N 0 0 420.372 2.377 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(OC(C)=O)c(OC)c1 ZINC000770497657 1078868300 /nfs/dbraw/zinc/86/83/00/1078868300.db2.gz LKRHZIWWGRNFHM-UHFFFAOYSA-N 0 0 418.358 2.333 20 5 HEBDRN C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746417212 1078909335 /nfs/dbraw/zinc/90/93/35/1078909335.db2.gz UEOQPEODTXFUIT-RYUDHWBXSA-N 0 0 420.871 2.370 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000770622358 1078919628 /nfs/dbraw/zinc/91/96/28/1078919628.db2.gz FKOCTEKDPMICQD-KGLIPLIRSA-N 0 0 404.427 2.339 20 5 HEBDRN CS(=O)(=O)c1cc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c(Cl)s1 ZINC000770687396 1078935873 /nfs/dbraw/zinc/93/58/73/1078935873.db2.gz ATRDJMVPGPZMPV-UHFFFAOYSA-N 0 0 424.909 2.234 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1nccn1C(F)F ZINC000746429898 1078944076 /nfs/dbraw/zinc/94/40/76/1078944076.db2.gz XEUUZLRUISAZLR-UHFFFAOYSA-N 0 0 405.383 2.005 20 5 HEBDRN C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766390507 1078947309 /nfs/dbraw/zinc/94/73/09/1078947309.db2.gz WUZASPMKPOJJDV-ZDUSSCGKSA-N 0 0 411.459 2.403 20 5 HEBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(O)CCC2(CC1)OCCO2 ZINC000746439971 1078970242 /nfs/dbraw/zinc/97/02/42/1078970242.db2.gz BUJFYRKWZVXUFB-UHFFFAOYSA-N 0 0 422.481 2.319 20 5 HEBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000766465737 1079025301 /nfs/dbraw/zinc/02/53/01/1079025301.db2.gz CPOVUWLFGMOKDX-UHFFFAOYSA-N 0 0 417.403 2.442 20 5 HEBDRN COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1Cl ZINC000766509363 1079047171 /nfs/dbraw/zinc/04/71/71/1079047171.db2.gz RICYQHVISNIPKM-UHFFFAOYSA-N 0 0 404.810 2.250 20 5 HEBDRN Cn1cc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000770837896 1079054468 /nfs/dbraw/zinc/05/44/68/1079054468.db2.gz 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COc1cccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)n1 ZINC000771056779 1079117517 /nfs/dbraw/zinc/11/75/17/1079117517.db2.gz OOMAKHJTPZTQSS-UHFFFAOYSA-N 0 0 413.346 2.001 20 5 HEBDRN O=C(Cc1noc(-c2ccc3nccn3c2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000771065402 1079123378 /nfs/dbraw/zinc/12/33/78/1079123378.db2.gz FKNYEKIQVNYVPF-UHFFFAOYSA-N 0 0 422.357 2.245 20 5 HEBDRN O=C(Cc1noc(-c2ccncc2F)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085968 1079137254 /nfs/dbraw/zinc/13/72/54/1079137254.db2.gz AZOMHOSRZJIMGI-UHFFFAOYSA-N 0 0 412.381 2.070 20 5 HEBDRN CC(C)OCCCNC(=O)Cc1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000771155317 1079168596 /nfs/dbraw/zinc/16/85/96/1079168596.db2.gz UBSMAPWOBAHSHY-INIZCTEOSA-N 0 0 417.422 2.317 20 5 HEBDRN O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001169184532 1079194993 /nfs/dbraw/zinc/19/49/93/1079194993.db2.gz ZJYYCPFAPICJLO-INIZCTEOSA-N 0 0 401.810 2.351 20 5 HEBDRN O=Cc1ccc(OCC(=O)N[C@@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000771200970 1079200934 /nfs/dbraw/zinc/20/09/34/1079200934.db2.gz VMZNWJXEFYQCOI-AWEZNQCLSA-N 0 0 423.219 2.398 20 5 HEBDRN C[C@@H]1CN(C(=O)Cc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)C[C@H](C)O1 ZINC000771222785 1079235415 /nfs/dbraw/zinc/23/54/15/1079235415.db2.gz ILFBUPKAFKVACT-BFQNTYOBSA-N 0 0 415.406 2.022 20 5 HEBDRN COc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000771269976 1079258169 /nfs/dbraw/zinc/25/81/69/1079258169.db2.gz YZAJSTKWXMTYKU-UHFFFAOYSA-N 0 0 405.411 2.413 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Oc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000771300397 1079273504 /nfs/dbraw/zinc/27/35/04/1079273504.db2.gz XWPQNOGWBQWPPQ-HXUWFJFHSA-N 0 0 413.386 2.284 20 5 HEBDRN Cc1cc(=O)c(C(=O)Oc2ccc3c(c2)OCCO3)nn1-c1ccccc1[N+](=O)[O-] ZINC000766702227 1079286643 /nfs/dbraw/zinc/28/66/43/1079286643.db2.gz DBUOPYONPLVVJW-UHFFFAOYSA-N 0 0 409.354 2.440 20 5 HEBDRN CCOc1cc([N+](=O)[O-])ccc1NCC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC001169439804 1079290538 /nfs/dbraw/zinc/29/05/38/1079290538.db2.gz CSHOCDZRJNJYEU-KRWDZBQOSA-N 0 0 419.434 2.272 20 5 HEBDRN CCOc1cc([N+](=O)[O-])ccc1NCC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC001169439805 1079290649 /nfs/dbraw/zinc/29/06/49/1079290649.db2.gz CSHOCDZRJNJYEU-QGZVFWFLSA-N 0 0 419.434 2.272 20 5 HEBDRN CCNC(=O)c1cc(Cl)ccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000771332725 1079294497 /nfs/dbraw/zinc/29/44/97/1079294497.db2.gz DZGHSMXERBPVEI-UHFFFAOYSA-N 0 0 404.810 2.366 20 5 HEBDRN O=C(NCc1ccnc(Br)c1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001169496391 1079314256 /nfs/dbraw/zinc/31/42/56/1079314256.db2.gz JJFQJHQSKRAVFY-UHFFFAOYSA-N 0 0 417.223 2.322 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000739897897 1079326609 /nfs/dbraw/zinc/32/66/09/1079326609.db2.gz YNKHYHFFOPKMMJ-UHFFFAOYSA-N 0 0 414.484 2.490 20 5 HEBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766757711 1079339684 /nfs/dbraw/zinc/33/96/84/1079339684.db2.gz NSDXTYRLCXTPDE-INIZCTEOSA-N 0 0 402.407 2.383 20 5 HEBDRN COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2 ZINC000771463373 1079339713 /nfs/dbraw/zinc/33/97/13/1079339713.db2.gz IJCIOALEGNQFEA-UHFFFAOYSA-N 0 0 420.378 2.044 20 5 HEBDRN CC(C)c1n[nH]c(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000771470431 1079349638 /nfs/dbraw/zinc/34/96/38/1079349638.db2.gz VXXWOIAKMHZGQT-UHFFFAOYSA-N 0 0 424.502 2.066 20 5 HEBDRN Cc1noc(C)c1CN1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771504279 1079360165 /nfs/dbraw/zinc/36/01/65/1079360165.db2.gz VGSUORNMGABBOZ-UHFFFAOYSA-N 0 0 402.436 2.162 20 5 HEBDRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502401 1079361727 /nfs/dbraw/zinc/36/17/27/1079361727.db2.gz QGDHFEBKVMMVDS-UHFFFAOYSA-N 0 0 401.404 2.227 20 5 HEBDRN Cc1nc(CN2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC2)cs1 ZINC000771503378 1079364748 /nfs/dbraw/zinc/36/47/48/1079364748.db2.gz XLIGYMRPKQMLHN-UHFFFAOYSA-N 0 0 404.477 2.322 20 5 HEBDRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508090 1079365211 /nfs/dbraw/zinc/36/52/11/1079365211.db2.gz CRAXUCBZGYAKRC-UHFFFAOYSA-N 0 0 413.419 2.134 20 5 HEBDRN CC(C)c1[nH]nc(C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)c1[N+](=O)[O-] ZINC000771548496 1079382594 /nfs/dbraw/zinc/38/25/94/1079382594.db2.gz ZZKOWWCWYAIHDG-UHFFFAOYSA-N 0 0 408.469 2.158 20 5 HEBDRN Cc1noc(C)c1CCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766804375 1079390408 /nfs/dbraw/zinc/39/04/08/1079390408.db2.gz ABGWCUHXWANYPJ-UHFFFAOYSA-N 0 0 400.391 2.216 20 5 HEBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000771596441 1079390892 /nfs/dbraw/zinc/39/08/92/1079390892.db2.gz LUNWQPIJFRKEGQ-HIFRSBDPSA-N 0 0 410.448 2.042 20 5 HEBDRN CCOC(=O)N1CCC[C@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000771624413 1079407311 /nfs/dbraw/zinc/40/73/11/1079407311.db2.gz PPGHLLSQQZQYGJ-AWEZNQCLSA-N 0 0 417.422 2.173 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000766815698 1079409036 /nfs/dbraw/zinc/40/90/36/1079409036.db2.gz FLMLBWSJIDMQAT-HNNXBMFYSA-N 0 0 413.496 2.360 20 5 HEBDRN C[C@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000771589896 1079416967 /nfs/dbraw/zinc/41/69/67/1079416967.db2.gz XXRLOSZYYRZGQD-LBPRGKRZSA-N 0 0 423.403 2.476 20 5 HEBDRN C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000771589832 1079417183 /nfs/dbraw/zinc/41/71/83/1079417183.db2.gz XBKIRIGVXYULFW-GFCCVEGCSA-N 0 0 423.403 2.476 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766839959 1079430771 /nfs/dbraw/zinc/43/07/71/1079430771.db2.gz FAGUWFYTPXWCOK-CYBMUJFWSA-N 0 0 401.485 2.218 20 5 HEBDRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](O)c1ccc(F)cc1 ZINC000771671686 1079439264 /nfs/dbraw/zinc/43/92/64/1079439264.db2.gz HZLORAASGQLITD-PZSREKOKSA-N 0 0 405.382 2.170 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000771732765 1079469851 /nfs/dbraw/zinc/46/98/51/1079469851.db2.gz HNOSUYMBNVCVFX-UHFFFAOYSA-N 0 0 413.471 2.456 20 5 HEBDRN Cc1cc(S(=O)(=O)NCC(=O)N2CCCc3ccccc32)cc([N+](=O)[O-])c1F ZINC000771738942 1079474196 /nfs/dbraw/zinc/47/41/96/1079474196.db2.gz VWGHMOIZLFKSLC-UHFFFAOYSA-N 0 0 407.423 2.300 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771751017 1079481390 /nfs/dbraw/zinc/48/13/90/1079481390.db2.gz LPLZXMYSVFSAGC-CYBMUJFWSA-N 0 0 401.460 2.215 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1F ZINC000771754597 1079486048 /nfs/dbraw/zinc/48/60/48/1079486048.db2.gz AWKWJIXPWJGNNY-OAHLLOKOSA-N 0 0 407.423 2.468 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc([N+](=O)[O-])c1F ZINC000771754847 1079486060 /nfs/dbraw/zinc/48/60/60/1079486060.db2.gz SOZNMKSRFLJBKS-HNNXBMFYSA-N 0 0 409.439 2.020 20 5 HEBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCS1(=O)=O ZINC000737316947 1075906626 /nfs/dbraw/zinc/90/66/26/1075906626.db2.gz PYEHGGNBCOEKCR-UHFFFAOYSA-N 0 0 405.219 2.263 20 5 HEBDRN CNS(=O)(=O)c1ccc(Nc2ccc(N3CCOC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000737430634 1075907524 /nfs/dbraw/zinc/90/75/24/1075907524.db2.gz WXKDEJYJNWPLSO-CYBMUJFWSA-N 0 0 406.464 2.472 20 5 HEBDRN CCn1nnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000737682023 1075918947 /nfs/dbraw/zinc/91/89/47/1075918947.db2.gz WNWLLXUUJIROOB-UHFFFAOYSA-N 0 0 423.433 2.357 20 5 HEBDRN COc1cc(CCNC(=O)c2cnn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000737779301 1075928330 /nfs/dbraw/zinc/92/83/30/1075928330.db2.gz DGWBAZJXRHWGQN-UHFFFAOYSA-N 0 0 415.381 2.304 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1OC ZINC000771721014 1079490454 /nfs/dbraw/zinc/49/04/54/1079490454.db2.gz HCQGTXGAYFKCSD-UHFFFAOYSA-N 0 0 411.388 2.475 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1OC ZINC000771721406 1079490504 /nfs/dbraw/zinc/49/05/04/1079490504.db2.gz LCHPAGVVWVIMIF-UHFFFAOYSA-N 0 0 411.388 2.475 20 5 HEBDRN CCc1nc([C@H]2CCCCN2C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)no1 ZINC000737880793 1075938125 /nfs/dbraw/zinc/93/81/25/1075938125.db2.gz ANNKQYHCIYUGOA-CYBMUJFWSA-N 0 0 418.406 2.494 20 5 HEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000804344335 1079492927 /nfs/dbraw/zinc/49/29/27/1079492927.db2.gz QHSNSDGGIWNXJK-UHFFFAOYSA-N 0 0 424.523 2.429 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc([N+](=O)[O-])c1F ZINC000771726119 1079493159 /nfs/dbraw/zinc/49/31/59/1079493159.db2.gz ORNQQQXHTGLQRX-UHFFFAOYSA-N 0 0 424.410 2.461 20 5 HEBDRN COc1cccc(C(=O)N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000738018381 1075951434 /nfs/dbraw/zinc/95/14/34/1075951434.db2.gz CZGNQKBPIQZMAZ-UHFFFAOYSA-N 0 0 422.445 2.277 20 5 HEBDRN O=[N+]([O-])c1cccc(-c2ncn(CN3CCN(CC(F)(F)C(F)F)CC3)n2)c1 ZINC000738242036 1075980429 /nfs/dbraw/zinc/98/04/29/1075980429.db2.gz OBRJHBHQWNERTB-UHFFFAOYSA-N 0 0 402.352 2.329 20 5 HEBDRN CC[C@@H](OC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)c1ccccc1 ZINC000738656949 1076014138 /nfs/dbraw/zinc/01/41/38/1076014138.db2.gz GQQZTLSRKJOOAV-MRXNPFEDSA-N 0 0 406.416 2.369 20 5 HEBDRN CC(C)c1noc([C@@H](C)OC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000738674571 1076015266 /nfs/dbraw/zinc/01/52/66/1076015266.db2.gz RYHPPHBYPGJZNY-LLVKDONJSA-N 0 0 412.424 2.026 20 5 HEBDRN CN(CC(=O)OC[C@H]1CCc2ccccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739181131 1076041111 /nfs/dbraw/zinc/04/11/11/1076041111.db2.gz PRIXWIJQTZZGDE-OAHLLOKOSA-N 0 0 404.444 2.489 20 5 HEBDRN COc1cc(N2CCC(OC(=O)c3cccc(-n4cnnn4)c3)CC2)ccc1[N+](=O)[O-] ZINC000739383731 1076056890 /nfs/dbraw/zinc/05/68/90/1076056890.db2.gz BSYOHAJZDXIYFB-UHFFFAOYSA-N 0 0 424.417 2.405 20 5 HEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H]2C(F)(F)F)cc1Br ZINC000739971684 1076089333 /nfs/dbraw/zinc/08/93/33/1076089333.db2.gz HOTSFIAXHCUDHP-JTQLQIEISA-N 0 0 419.175 2.309 20 5 HEBDRN O=C1[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000739976017 1076089472 /nfs/dbraw/zinc/08/94/72/1076089472.db2.gz JBPYJFCSOVIHHL-ZDUSSCGKSA-N 0 0 413.814 2.471 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000766246648 1076128952 /nfs/dbraw/zinc/12/89/52/1076128952.db2.gz BTCMOQFJCWMXHA-MRXNPFEDSA-N 0 0 417.418 2.017 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000740288981 1076138071 /nfs/dbraw/zinc/13/80/71/1076138071.db2.gz KSMGTCKKMMXMAX-UONOGXRCSA-N 0 0 407.423 2.430 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccnc(N2CCCCC2)n1 ZINC000740320998 1076143390 /nfs/dbraw/zinc/14/33/90/1076143390.db2.gz UACWHKBWZASQPW-UHFFFAOYSA-N 0 0 415.406 2.179 20 5 HEBDRN COc1ccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000766249922 1076148135 /nfs/dbraw/zinc/14/81/35/1076148135.db2.gz QVXNVTFGNLXVQS-UHFFFAOYSA-N 0 0 402.363 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Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000744339675 1077369254 /nfs/dbraw/zinc/36/92/54/1077369254.db2.gz DUSFDPZBODVBLF-ZDUSSCGKSA-N 0 0 404.354 2.025 20 5 HEBDRN O=C(COC(=O)[C@@H](c1ccccc1F)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000744364257 1077372246 /nfs/dbraw/zinc/37/22/46/1077372246.db2.gz SJXFTQOJZSSVAW-LJQANCHMSA-N 0 0 417.393 2.289 20 5 HEBDRN NC(=O)c1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000744374916 1077374672 /nfs/dbraw/zinc/37/46/72/1077374672.db2.gz GXEGDYULYQIHRO-UHFFFAOYSA-N 0 0 404.810 2.436 20 5 HEBDRN CCOc1ccccc1OCCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000744451253 1077398476 /nfs/dbraw/zinc/39/84/76/1077398476.db2.gz ACGUJYFYSSJDFK-UHFFFAOYSA-N 0 0 414.370 2.212 20 5 HEBDRN Cn1cc(N2CCC[C@@H](OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2=O)cn1 ZINC000744491562 1077402593 /nfs/dbraw/zinc/40/25/93/1077402593.db2.gz QCKDROHUAURTLJ-GOSISDBHSA-N 0 0 413.434 2.281 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000744478147 1077410149 /nfs/dbraw/zinc/41/01/49/1077410149.db2.gz SZWMATKCKLTPHK-UHFFFAOYSA-N 0 0 424.413 2.131 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OCC(F)(F)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000744515053 1077431081 /nfs/dbraw/zinc/43/10/81/1077431081.db2.gz SORCVZVXCJIXRM-UHFFFAOYSA-N 0 0 407.320 2.321 20 5 HEBDRN C[C@H]1CN=C(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)S1 ZINC000744609439 1077498906 /nfs/dbraw/zinc/49/89/06/1077498906.db2.gz XTIJWBRPSCTIFI-HNNXBMFYSA-N 0 0 417.535 2.447 20 5 HEBDRN C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000744615932 1077503954 /nfs/dbraw/zinc/50/39/54/1077503954.db2.gz FNBCHQFXMIWXJZ-LBPRGKRZSA-N 0 0 410.386 2.219 20 5 HEBDRN CCCc1n[nH]c(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1[N+](=O)[O-] ZINC000744599804 1077509858 /nfs/dbraw/zinc/50/98/58/1077509858.db2.gz HCJNDYGCSIVGJO-UHFFFAOYSA-N 0 0 409.450 2.303 20 5 HEBDRN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000744668825 1077534633 /nfs/dbraw/zinc/53/46/33/1077534633.db2.gz LKCCNWZWKLSFHT-CYBMUJFWSA-N 0 0 409.439 2.450 20 5 HEBDRN COc1ccc(CN(C)C(=O)[C@@H](OC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)C)cc1 ZINC000744651873 1077539103 /nfs/dbraw/zinc/53/91/03/1077539103.db2.gz OWPNBQQRFPZQKJ-IBGZPJMESA-N 0 0 418.450 2.335 20 5 HEBDRN C[C@H](OC(=O)c1sccc1-n1cnnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744716281 1077565410 /nfs/dbraw/zinc/56/54/10/1077565410.db2.gz MDYZDPVDPUBCPP-QMMMGPOBSA-N 0 0 422.810 2.469 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744744981 1077565911 /nfs/dbraw/zinc/56/59/11/1077565911.db2.gz NZOHDTHZLQGZEV-INIZCTEOSA-N 0 0 418.406 2.066 20 5 HEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ncc(-c2ccc(Br)cc2)o1 ZINC000744825150 1077608825 /nfs/dbraw/zinc/60/88/25/1077608825.db2.gz FOZFGADYOGAHHJ-UHFFFAOYSA-N 0 0 408.168 2.347 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000744854734 1077623176 /nfs/dbraw/zinc/62/31/76/1077623176.db2.gz WSCCKCAVGHTWIT-OAHLLOKOSA-N 0 0 424.475 2.298 20 5 HEBDRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C ZINC000744924140 1077654123 /nfs/dbraw/zinc/65/41/23/1077654123.db2.gz FHSZMFCJHOWLHE-NSHDSACASA-N 0 0 406.395 2.073 20 5 HEBDRN C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000744926049 1077655023 /nfs/dbraw/zinc/65/50/23/1077655023.db2.gz ZDOBTFHXKYKKAQ-CYBMUJFWSA-N 0 0 413.434 2.298 20 5 HEBDRN CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744927802 1077655503 /nfs/dbraw/zinc/65/55/03/1077655503.db2.gz OIQXUHQOZVXBTA-JJRVBVJISA-N 0 0 405.451 2.354 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000744928071 1077655814 /nfs/dbraw/zinc/65/58/14/1077655814.db2.gz RMYANHAYVZWHCV-CJNGLKHVSA-N 0 0 405.451 2.354 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000744928093 1077655920 /nfs/dbraw/zinc/65/59/20/1077655920.db2.gz RTWZSBXLSMEEHN-PBHICJAKSA-N 0 0 405.451 2.212 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744974600 1077687876 /nfs/dbraw/zinc/68/78/76/1077687876.db2.gz SLUYSDCUOPAFSL-FZMZJTMJSA-N 0 0 409.464 2.413 20 5 HEBDRN O=C(CCNC(=O)N1CCc2ccccc2C1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000745058099 1077721967 /nfs/dbraw/zinc/72/19/67/1077721967.db2.gz OTFGVALXRDEXKJ-UHFFFAOYSA-N 0 0 411.414 2.479 20 5 HEBDRN CCS(=O)(=O)NCc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000745140000 1077751828 /nfs/dbraw/zinc/75/18/28/1077751828.db2.gz ZWJVVZBJHFPZIV-UHFFFAOYSA-N 0 0 408.432 2.400 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000745332953 1077805049 /nfs/dbraw/zinc/80/50/49/1077805049.db2.gz LCVOVWHBYYFNAK-AWEZNQCLSA-N 0 0 404.400 2.334 20 5 HEBDRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000745334667 1077805204 /nfs/dbraw/zinc/80/52/04/1077805204.db2.gz WPFXHYFRLRDNLQ-UHFFFAOYSA-N 0 0 419.478 2.081 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000745333992 1077805237 /nfs/dbraw/zinc/80/52/37/1077805237.db2.gz QHOHIQAYPJVNBV-GFCCVEGCSA-N 0 0 406.416 2.111 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccnc(Cl)c1 ZINC000745324532 1077807837 /nfs/dbraw/zinc/80/78/37/1077807837.db2.gz UGFIVDPDSXAIFY-UHFFFAOYSA-N 0 0 413.839 2.243 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c1 ZINC000745386047 1077816106 /nfs/dbraw/zinc/81/61/06/1077816106.db2.gz NFDCVZSFYOWJIT-GFCCVEGCSA-N 0 0 406.416 2.491 20 5 HEBDRN O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766932529 1079512028 /nfs/dbraw/zinc/51/20/28/1079512028.db2.gz NNGXBWNOCBZXRI-MEBBXXQBSA-N 0 0 416.308 2.372 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000771766075 1079520364 /nfs/dbraw/zinc/52/03/64/1079520364.db2.gz SEYBWXZZOMUDFA-UHFFFAOYSA-N 0 0 414.370 2.329 20 5 HEBDRN CCc1cc(N2CCC(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000771770545 1079523760 /nfs/dbraw/zinc/52/37/60/1079523760.db2.gz WJUBPJTVSXTXJY-UHFFFAOYSA-N 0 0 423.470 2.342 20 5 HEBDRN C[C@H](NC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Br)cc1 ZINC000766964574 1079559682 /nfs/dbraw/zinc/55/96/82/1079559682.db2.gz QSGDQQUFAFNUIE-VIFPVBQESA-N 0 0 411.212 2.125 20 5 HEBDRN COc1ccc(COC(=O)c2c([N+](=O)[O-])cnn2C)c(Br)c1OC ZINC000766965724 1079560358 /nfs/dbraw/zinc/56/03/58/1079560358.db2.gz JGGSUTXUZRQKHX-UHFFFAOYSA-N 0 0 400.185 2.465 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccccc1COc1ccccc1 ZINC000766964979 1079561390 /nfs/dbraw/zinc/56/13/90/1079561390.db2.gz BSHYRFQFEXKLDQ-UHFFFAOYSA-N 0 0 424.413 2.381 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000766970432 1079565156 /nfs/dbraw/zinc/56/51/56/1079565156.db2.gz CFZANHBTUYLULD-UHFFFAOYSA-N 0 0 424.413 2.381 20 5 HEBDRN CC(C)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000766971649 1079565758 /nfs/dbraw/zinc/56/57/58/1079565758.db2.gz KFHARTOUFZSXRP-GUYCJALGSA-N 0 0 402.407 2.150 20 5 HEBDRN CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2c([N+](=O)[O-])cnn2C)C(C)C)c1 ZINC000766970006 1079565888 /nfs/dbraw/zinc/56/58/88/1079565888.db2.gz YWFMQGXFHMCROU-MRXNPFEDSA-N 0 0 403.395 2.107 20 5 HEBDRN Cc1noc(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000771971581 1079615542 /nfs/dbraw/zinc/61/55/42/1079615542.db2.gz AXRADDDVVGVDKX-LLVKDONJSA-N 0 0 405.338 2.118 20 5 HEBDRN Cc1cnc(COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000771972071 1079616628 /nfs/dbraw/zinc/61/66/28/1079616628.db2.gz PVCFXCLGHCEOQB-CQSZACIVSA-N 0 0 411.461 2.256 20 5 HEBDRN CCCn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1 ZINC000767036937 1079621603 /nfs/dbraw/zinc/62/16/03/1079621603.db2.gz HJRWOBNMGRPMIR-UHFFFAOYSA-N 0 0 401.301 2.411 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000767063198 1079635217 /nfs/dbraw/zinc/63/52/17/1079635217.db2.gz ROKFQMCSNYIVPW-OAHLLOKOSA-N 0 0 420.422 2.152 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000767052760 1079654141 /nfs/dbraw/zinc/65/41/41/1079654141.db2.gz GWPWOXBVYPQMQS-CYBMUJFWSA-N 0 0 410.429 2.022 20 5 HEBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccccn1 ZINC000767092648 1079673136 /nfs/dbraw/zinc/67/31/36/1079673136.db2.gz KIVPZYRERPGBAT-HNNXBMFYSA-N 0 0 405.432 2.108 20 5 HEBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772057599 1079676588 /nfs/dbraw/zinc/67/65/88/1079676588.db2.gz DDHYDRWRHMHZOP-UHFFFAOYSA-N 0 0 412.406 2.235 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC2(CN3C(=O)c4ccccc4C3=O)CCCC2)n1 ZINC000772058584 1079677331 /nfs/dbraw/zinc/67/73/31/1079677331.db2.gz 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O=C(OCCCCCn1cccn1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769669923 1078510903 /nfs/dbraw/zinc/51/09/03/1078510903.db2.gz WYTMNTBJXDKTDX-UHFFFAOYSA-N 0 0 400.391 2.472 20 5 HEBDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000745594549 1078557374 /nfs/dbraw/zinc/55/73/74/1078557374.db2.gz XOHXQWGUKOUQOR-KRWDZBQOSA-N 0 0 411.414 2.237 20 5 HEBDRN C[C@@H](OC(=O)C1(N2CCOCC2)CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000769824425 1078562120 /nfs/dbraw/zinc/56/21/20/1078562120.db2.gz DTAOECBYLTXBPZ-GFCCVEGCSA-N 0 0 411.842 2.373 20 5 HEBDRN CN(CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000745615091 1078567775 /nfs/dbraw/zinc/56/77/75/1078567775.db2.gz JKYBXDLQFOTNME-UHFFFAOYSA-N 0 0 406.326 2.260 20 5 HEBDRN COc1ccc(CN(C)C(=O)COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000745614646 1078568057 /nfs/dbraw/zinc/56/80/57/1078568057.db2.gz GDCANZNWKBKMAV-UHFFFAOYSA-N 0 0 401.419 2.241 20 5 HEBDRN 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C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000770348247 1078838138 /nfs/dbraw/zinc/83/81/38/1078838138.db2.gz IPSQVRZDOHTHPZ-ACJLOTCBSA-N 0 0 423.466 2.480 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000746297568 1078845963 /nfs/dbraw/zinc/84/59/63/1078845963.db2.gz GMRSHVSZPWOACM-UHFFFAOYSA-N 0 0 406.464 2.138 20 5 HEBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770455217 1078861259 /nfs/dbraw/zinc/86/12/59/1078861259.db2.gz YTKCZQKAIBLYKQ-UHFFFAOYSA-N 0 0 423.447 2.384 20 5 HEBDRN Cc1csc(Sc2ccc(C(=O)NN3CC(=O)N(C)C3=O)cc2[N+](=O)[O-])n1 ZINC000770534090 1078887364 /nfs/dbraw/zinc/88/73/64/1078887364.db2.gz CJJZNLIGTDOKQV-UHFFFAOYSA-N 0 0 407.433 2.050 20 5 HEBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(C(=O)CC(C)C)CC1 ZINC001671069063 1078878574 /nfs/dbraw/zinc/87/85/74/1078878574.db2.gz HTCISWYJOAERRO-UHFFFAOYSA-N 0 0 401.460 2.311 20 5 HEBDRN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000770611446 1078916373 /nfs/dbraw/zinc/91/63/73/1078916373.db2.gz LZVCKLIQSAAPOG-LLVKDONJSA-N 0 0 404.398 2.287 20 5 HEBDRN CC[C@](C)(CCCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1OCCO1 ZINC000746424070 1078919582 /nfs/dbraw/zinc/91/95/82/1078919582.db2.gz BNLBLRKDTKBHQD-QGZVFWFLSA-N 0 0 401.485 2.484 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)N(C)C)cc1 ZINC000746429809 1078944922 /nfs/dbraw/zinc/94/49/22/1078944922.db2.gz VFCUZQFZCHNPBK-UHFFFAOYSA-N 0 0 422.463 2.091 20 5 HEBDRN COc1cccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1F ZINC000770719746 1078948181 /nfs/dbraw/zinc/94/81/81/1078948181.db2.gz OKSPFEODKUJGOI-UHFFFAOYSA-N 0 0 402.382 2.030 20 5 HEBDRN COC(=O)c1c[nH]c(=O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000770725301 1078951173 /nfs/dbraw/zinc/95/11/73/1078951173.db2.gz QSCZXARIIXGYAZ-UHFFFAOYSA-N 0 0 401.784 2.245 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000746463939 1079011431 /nfs/dbraw/zinc/01/14/31/1079011431.db2.gz QGWQRYXTCQKSNV-UHFFFAOYSA-N 0 0 421.523 2.431 20 5 HEBDRN O=C1CCCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000766493572 1079031937 /nfs/dbraw/zinc/03/19/37/1079031937.db2.gz BQJKKJSANPBQOM-CQSZACIVSA-N 0 0 418.475 2.309 20 5 HEBDRN COc1cc(C(=O)OCc2nncn2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000770825623 1079033132 /nfs/dbraw/zinc/03/31/32/1079033132.db2.gz PCCJWVWGZYUXQH-UHFFFAOYSA-N 0 0 405.392 2.124 20 5 HEBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1I)C1CCOCC1 ZINC000770949785 1079088995 /nfs/dbraw/zinc/08/89/95/1079088995.db2.gz CYDSVIFHDOONMG-UHFFFAOYSA-N 0 0 419.171 2.352 20 5 HEBDRN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000785485387 1079095740 /nfs/dbraw/zinc/09/57/40/1079095740.db2.gz FOVUWKGCINUVIT-XHDPSFHLSA-N 0 0 423.413 2.243 20 5 HEBDRN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000785485383 1079095757 /nfs/dbraw/zinc/09/57/57/1079095757.db2.gz FOVUWKGCINUVIT-NHYWBVRUSA-N 0 0 423.413 2.243 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC2(CC1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010738 1079098479 /nfs/dbraw/zinc/09/84/79/1079098479.db2.gz FZBIUXRMIFBCRH-JKSUJKDBSA-N 0 0 420.514 2.265 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2CCO[C@H]2C)CC1 ZINC000771033334 1079110918 /nfs/dbraw/zinc/11/09/18/1079110918.db2.gz DHVCVCYYUGKUBM-XJKSGUPXSA-N 0 0 412.464 2.025 20 5 HEBDRN COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC001169075921 1079125871 /nfs/dbraw/zinc/12/58/71/1079125871.db2.gz QHKDQMQHEAPVKB-SFHVURJKSA-N 0 0 414.842 2.448 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Oc1ccc(NC(=O)COC)cc1 ZINC000746261807 1079118077 /nfs/dbraw/zinc/11/80/77/1079118077.db2.gz MZSWZCKQPMGIMR-CQSZACIVSA-N 0 0 405.411 2.018 20 5 HEBDRN O=C(CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccccc1 ZINC000766573806 1079123142 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O=C(OCc1ccccc1)[C@H]1CCCN[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001169512278 1079318907 /nfs/dbraw/zinc/31/89/07/1079318907.db2.gz LWCSWZSMCLYUPO-HOCLYGCPSA-N 0 0 404.398 2.238 20 5 HEBDRN O=C(Nc1ccc(F)nc1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766749417 1079336094 /nfs/dbraw/zinc/33/60/94/1079336094.db2.gz LNUDGHMERFBQPC-LBPRGKRZSA-N 0 0 408.411 2.168 20 5 HEBDRN C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000771493223 1079357706 /nfs/dbraw/zinc/35/77/06/1079357706.db2.gz MHDBCTCROAYCAP-NSHDSACASA-N 0 0 401.814 2.037 20 5 HEBDRN C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 ZINC000771494967 1079358439 /nfs/dbraw/zinc/35/84/39/1079358439.db2.gz SDBJDAYKOMACIM-NSHDSACASA-N 0 0 401.814 2.037 20 5 HEBDRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501403 1079361207 /nfs/dbraw/zinc/36/12/07/1079361207.db2.gz KCKGIJBGFVVQBY-UHFFFAOYSA-N 0 0 413.459 2.362 20 5 HEBDRN 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COc1c(Br)c([N+](=O)[O-])c(NCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000740868407 1076275373 /nfs/dbraw/zinc/27/53/73/1076275373.db2.gz JOUVBHDWKMNQTO-UHFFFAOYSA-N 0 0 406.189 2.228 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000740870377 1076275722 /nfs/dbraw/zinc/27/57/22/1076275722.db2.gz AAFXHBDNXUSQJG-KOLCDFICSA-N 0 0 401.397 2.057 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000740870378 1076275797 /nfs/dbraw/zinc/27/57/97/1076275797.db2.gz AAFXHBDNXUSQJG-MWLCHTKSSA-N 0 0 401.397 2.057 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@H](O)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000740870391 1076275817 /nfs/dbraw/zinc/27/58/17/1076275817.db2.gz APPMQFAQJKESSG-HWPZZCPQSA-N 0 0 423.372 2.310 20 5 HEBDRN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000740871223 1076276291 /nfs/dbraw/zinc/27/62/91/1076276291.db2.gz VHSBEPQKLXEDEN-VHSXEESVSA-N 0 0 412.436 2.359 20 5 HEBDRN NC(=O)c1ccc(SCC(=O)NC[C@@H](O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000740931938 1076300621 /nfs/dbraw/zinc/30/06/21/1076300621.db2.gz ZCWCDQKLVBHGLY-CQSZACIVSA-N 0 0 409.851 2.289 20 5 HEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)c1c(F)cccc1F ZINC000740934990 1076302421 /nfs/dbraw/zinc/30/24/21/1076302421.db2.gz CVOSRFGLENBCSH-CYBMUJFWSA-N 0 0 413.764 2.106 20 5 HEBDRN C[Si](C)(C)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000740958442 1076313399 /nfs/dbraw/zinc/31/33/99/1076313399.db2.gz RNPLDJPYOJWGJQ-ZDUSSCGKSA-N 0 0 400.529 2.416 20 5 HEBDRN CN(CC(=O)OCCOC1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000740987542 1076319502 /nfs/dbraw/zinc/31/95/02/1076319502.db2.gz SMLFRBDTONQPPN-UHFFFAOYSA-N 0 0 414.480 2.498 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000741016497 1076337147 /nfs/dbraw/zinc/33/71/47/1076337147.db2.gz IFTNPNKUSGOBLQ-BBWFWOEESA-N 0 0 418.494 2.048 20 5 HEBDRN C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N1[C@H](C)CC[C@H]1C ZINC000741023260 1076340650 /nfs/dbraw/zinc/34/06/50/1076340650.db2.gz UQMNWWZPAPRLAL-MCIONIFRSA-N 0 0 421.450 2.499 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741026425 1076342108 /nfs/dbraw/zinc/34/21/08/1076342108.db2.gz LORGQTQODBXYKR-QEEYODRMSA-N 0 0 419.478 2.161 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389694 1076497193 /nfs/dbraw/zinc/49/71/93/1076497193.db2.gz XENBPCTWCCKAIG-DNVCBOLYSA-N 0 0 413.430 2.366 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741365682 1076499935 /nfs/dbraw/zinc/49/99/35/1076499935.db2.gz ZQPKYRZTINFHFV-OAHLLOKOSA-N 0 0 420.466 2.463 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741384523 1076508725 /nfs/dbraw/zinc/50/87/25/1076508725.db2.gz PMQZRHMERDEVOZ-IBGZPJMESA-N 0 0 413.430 2.286 20 5 HEBDRN 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422.467 2.270 20 5 HEBDRN Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(C)o1 ZINC000743510853 1077065077 /nfs/dbraw/zinc/06/50/77/1077065077.db2.gz QEXRVDYWNWBZDR-KUHUBIRLSA-N 0 0 405.407 2.026 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000743511644 1077065293 /nfs/dbraw/zinc/06/52/93/1077065293.db2.gz WDXANJQNUQPCSR-IFXJQAMLSA-N 0 0 421.475 2.495 20 5 HEBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3cnn(C)c3)cc2[N+](=O)[O-])C1 ZINC000743649563 1077080952 /nfs/dbraw/zinc/08/09/52/1077080952.db2.gz SZJGJWRRLTVDSR-KSMMKXTCSA-N 0 0 401.467 2.274 20 5 HEBDRN CN(C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743770902 1077107875 /nfs/dbraw/zinc/10/78/75/1077107875.db2.gz AGCHDIWRVZFSSY-INIZCTEOSA-N 0 0 420.466 2.183 20 5 HEBDRN CN(C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743770904 1077108038 /nfs/dbraw/zinc/10/80/38/1077108038.db2.gz AGCHDIWRVZFSSY-MRXNPFEDSA-N 0 0 420.466 2.183 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CN(C[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743988637 1077281353 /nfs/dbraw/zinc/28/13/53/1077281353.db2.gz QKHQYGZZBAFHLE-OAHLLOKOSA-N 0 0 406.439 2.391 20 5 HEBDRN C[C@H]1CCC[C@@H](C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000744031552 1077299480 /nfs/dbraw/zinc/29/94/80/1077299480.db2.gz MQABCAAOKNMUQA-UONOGXRCSA-N 0 0 412.464 2.347 20 5 HEBDRN COc1cccc2c1OCC(C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])=C2 ZINC000744148786 1077330924 /nfs/dbraw/zinc/33/09/24/1077330924.db2.gz LUPOWZIZJROLGS-UHFFFAOYSA-N 0 0 413.386 2.133 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000744148306 1077331225 /nfs/dbraw/zinc/33/12/25/1077331225.db2.gz MHWZMGZUIVBBDT-UHFFFAOYSA-N 0 0 409.402 2.077 20 5 HEBDRN Cc1oc(-c2ccco2)nc1CC(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744148144 1077331249 /nfs/dbraw/zinc/33/12/49/1077331249.db2.gz JQHJEFJVYKESHM-UHFFFAOYSA-N 0 0 414.374 2.448 20 5 HEBDRN CCOCCCCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000744206022 1077339385 /nfs/dbraw/zinc/33/93/85/1077339385.db2.gz CIBYMAOMWPZDSD-HNNXBMFYSA-N 0 0 414.480 2.355 20 5 HEBDRN CCOCCCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000744205914 1077339394 /nfs/dbraw/zinc/33/93/94/1077339394.db2.gz XRFRFOXOLRPARG-MRXNPFEDSA-N 0 0 400.453 2.108 20 5 HEBDRN O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744230162 1077345339 /nfs/dbraw/zinc/34/53/39/1077345339.db2.gz DEDBLIKMKUAUIU-MRXNPFEDSA-N 0 0 421.413 2.381 20 5 HEBDRN CCc1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000744349912 1077368346 /nfs/dbraw/zinc/36/83/46/1077368346.db2.gz OIBCOYDUEZRKFB-UHFFFAOYSA-N 0 0 410.430 2.414 20 5 HEBDRN Cc1c(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744374686 1077375030 /nfs/dbraw/zinc/37/50/30/1077375030.db2.gz DFNTWLUQRVFOBC-HNNXBMFYSA-N 0 0 404.404 2.495 20 5 HEBDRN 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COc1ccc(OCCOC(=O)CCc2c(C)nc3ncnn3c2C)c([N+](=O)[O-])c1 ZINC000744510134 1077426525 /nfs/dbraw/zinc/42/65/25/1077426525.db2.gz DGFXCINOOIZQKO-UHFFFAOYSA-N 0 0 415.406 2.213 20 5 HEBDRN CCOc1cc(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)c([N+](=O)[O-])cc1OC ZINC000744518803 1077435762 /nfs/dbraw/zinc/43/57/62/1077435762.db2.gz ZWPQKSUONIWVFH-UHFFFAOYSA-N 0 0 421.406 2.024 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1OC ZINC000744519877 1077437094 /nfs/dbraw/zinc/43/70/94/1077437094.db2.gz CHQMBHFECPCSCD-AWEZNQCLSA-N 0 0 418.406 2.006 20 5 HEBDRN COc1cc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000744534739 1077449045 /nfs/dbraw/zinc/44/90/45/1077449045.db2.gz SNUJKRSIODGMRV-LURJTMIESA-N 0 0 416.255 2.429 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000744566068 1077451445 /nfs/dbraw/zinc/45/14/45/1077451445.db2.gz VTDZHBRLRSWRQL-AEGPPILISA-N 0 0 420.418 2.089 20 5 HEBDRN COC(=O)[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000744560996 1077470384 /nfs/dbraw/zinc/47/03/84/1077470384.db2.gz QYSNOSPOONYFCR-INIZCTEOSA-N 0 0 422.390 2.382 20 5 HEBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](OC(=O)N(C)C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001273423258 1077474792 /nfs/dbraw/zinc/47/47/92/1077474792.db2.gz LMVYTIUHJCGIGS-QGZVFWFLSA-N 0 0 415.450 2.369 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000744580840 1077494198 /nfs/dbraw/zinc/49/41/98/1077494198.db2.gz MEPBLGXPBIHRPG-GFCCVEGCSA-N 0 0 421.406 2.303 20 5 HEBDRN O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000744630475 1077526088 /nfs/dbraw/zinc/52/60/88/1077526088.db2.gz QCEPZYZQKXKOQO-CALCHBBNSA-N 0 0 418.427 2.366 20 5 HEBDRN CCc1cnc(COC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000744666036 1077532659 /nfs/dbraw/zinc/53/26/59/1077532659.db2.gz DZPDWXDPUQSQMB-MRXNPFEDSA-N 0 0 423.447 2.432 20 5 HEBDRN 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CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)s1 ZINC000744924077 1077653975 /nfs/dbraw/zinc/65/39/75/1077653975.db2.gz DGWCQJBRTNGARL-JTQLQIEISA-N 0 0 408.436 2.039 20 5 HEBDRN C[C@@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000744909310 1077661951 /nfs/dbraw/zinc/66/19/51/1077661951.db2.gz GTGIDQMJXCPQHA-SNVBAGLBSA-N 0 0 418.855 2.476 20 5 HEBDRN CCC(CC)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745026283 1077709322 /nfs/dbraw/zinc/70/93/22/1077709322.db2.gz BPVXACVISANXBV-WCQYABFASA-N 0 0 411.480 2.497 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000745026019 1077709698 /nfs/dbraw/zinc/70/96/98/1077709698.db2.gz AXNMXDSXSHUCKJ-QPSCCSFWSA-N 0 0 421.450 2.419 20 5 HEBDRN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028024 1077710422 /nfs/dbraw/zinc/71/04/22/1077710422.db2.gz JLKAVSLJONKAIF-VXGBXAGGSA-N 0 0 411.480 2.497 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)c1ccccc1 ZINC000745030361 1077711008 /nfs/dbraw/zinc/71/10/08/1077711008.db2.gz UHUWQSFMQCWESK-UKRRQHHQSA-N 0 0 415.402 2.387 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)c1ccccc1 ZINC000745030362 1077711077 /nfs/dbraw/zinc/71/10/77/1077711077.db2.gz UHUWQSFMQCWESK-ZFWWWQNUSA-N 0 0 415.402 2.387 20 5 HEBDRN COCC(=O)N[C@H](C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000745110162 1077745342 /nfs/dbraw/zinc/74/53/42/1077745342.db2.gz WSONTKHJCSNOCW-ABAIWWIYSA-N 0 0 406.395 2.036 20 5 HEBDRN C[C@@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000766325014 1077751490 /nfs/dbraw/zinc/75/14/90/1077751490.db2.gz IUUDWDRHBWRQBR-OAHLLOKOSA-N 0 0 413.434 2.118 20 5 HEBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnn1C ZINC000745163829 1077762153 /nfs/dbraw/zinc/76/21/53/1077762153.db2.gz OMOPEERTTCYVMB-MRVPVSSYSA-N 0 0 401.301 2.235 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000745276126 1077801096 /nfs/dbraw/zinc/80/10/96/1077801096.db2.gz MMWQSDDCSJPKNC-GFCCVEGCSA-N 0 0 400.435 2.256 20 5 HEBDRN CCOC(=O)c1c(C)oc2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3)nc(N)c21 ZINC000745335819 1077805635 /nfs/dbraw/zinc/80/56/35/1077805635.db2.gz UOZIAOULHXKBEL-UHFFFAOYSA-N 0 0 414.374 2.484 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c1 ZINC000745386048 1077816140 /nfs/dbraw/zinc/81/61/40/1077816140.db2.gz NFDCVZSFYOWJIT-LBPRGKRZSA-N 0 0 406.416 2.491 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000745387103 1077816345 /nfs/dbraw/zinc/81/63/45/1077816345.db2.gz COBSDLPLAZWZES-UHFFFAOYSA-N 0 0 407.329 2.093 20 5 HEBDRN O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000745413683 1077820589 /nfs/dbraw/zinc/82/05/89/1077820589.db2.gz NBVCFXLTPHSJQG-UHFFFAOYSA-N 0 0 406.395 2.457 20 5 HEBDRN COc1ccc(OC)c([C@@H](O)CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000771759716 1079514247 /nfs/dbraw/zinc/51/42/47/1079514247.db2.gz UWBVEZLWPOPSNQ-HNNXBMFYSA-N 0 0 414.411 2.071 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1F ZINC000771761992 1079515906 /nfs/dbraw/zinc/51/59/06/1079515906.db2.gz LTNOSNOXRSNDNF-CYBMUJFWSA-N 0 0 422.394 2.104 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000766962488 1079517916 /nfs/dbraw/zinc/51/79/16/1079517916.db2.gz CRTIREGQHCMGCP-UHFFFAOYSA-N 0 0 407.692 2.191 20 5 HEBDRN CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000771765379 1079519563 /nfs/dbraw/zinc/51/95/63/1079519563.db2.gz MAVIARLZSGPVIW-UHFFFAOYSA-N 0 0 421.357 2.499 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1F ZINC000771769002 1079523082 /nfs/dbraw/zinc/52/30/82/1079523082.db2.gz LYODOQMMRMARHW-INIZCTEOSA-N 0 0 415.830 2.375 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc([N+](=O)[O-])c1F ZINC000771773412 1079525578 /nfs/dbraw/zinc/52/55/78/1079525578.db2.gz DLMQGHBNRBGGKC-DOMZBBRYSA-N 0 0 414.411 2.149 20 5 HEBDRN Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771804285 1079538519 /nfs/dbraw/zinc/53/85/19/1079538519.db2.gz GQFZAGHBRFSOCT-OAHLLOKOSA-N 0 0 412.443 2.155 20 5 HEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000766970995 1079567192 /nfs/dbraw/zinc/56/71/92/1079567192.db2.gz DZYJCCKOBVNCBQ-UHFFFAOYSA-N 0 0 417.256 2.051 20 5 HEBDRN C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000766973882 1079569890 /nfs/dbraw/zinc/56/98/90/1079569890.db2.gz VOCDUGJXRYEDMO-QMMMGPOBSA-N 0 0 402.285 2.411 20 5 HEBDRN Cc1cccnc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000771933977 1079590011 /nfs/dbraw/zinc/59/00/11/1079590011.db2.gz OJJIIWJPAUVTGH-OAHLLOKOSA-N 0 0 419.459 2.442 20 5 HEBDRN COc1cccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC000771942977 1079594462 /nfs/dbraw/zinc/59/44/62/1079594462.db2.gz ZSXDXGCQVQINKS-UHFFFAOYSA-N 0 0 422.419 2.023 20 5 HEBDRN O=C(OC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000771947990 1079597397 /nfs/dbraw/zinc/59/73/97/1079597397.db2.gz QGPDLDSFCOKZSG-OAHLLOKOSA-N 0 0 409.358 2.358 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCOC[C@H]1OCc1ccccc1 ZINC000767002187 1079601286 /nfs/dbraw/zinc/60/12/86/1079601286.db2.gz CVXIWAPUXRLLOM-RBUKOAKNSA-N 0 0 414.414 2.242 20 5 HEBDRN O=C(NCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21)OCc1ccccc1 ZINC000767083137 1079668421 /nfs/dbraw/zinc/66/84/21/1079668421.db2.gz GSEXMZWSTPIKDW-UHFFFAOYSA-N 0 0 405.432 2.214 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000772056535 1079675366 /nfs/dbraw/zinc/67/53/66/1079675366.db2.gz HKAOTALRGRTOQU-UHFFFAOYSA-N 0 0 404.398 2.252 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000772060284 1079680343 /nfs/dbraw/zinc/68/03/43/1079680343.db2.gz QJZYYTQVDRYVGJ-UHFFFAOYSA-N 0 0 401.148 2.025 20 5 HEBDRN Cc1cc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)C2)n(C)n1 ZINC000767144704 1079682060 /nfs/dbraw/zinc/68/20/60/1079682060.db2.gz GZOVVLVEUKRFRW-CYBMUJFWSA-N 0 0 402.411 2.252 20 5 HEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000767208414 1079737272 /nfs/dbraw/zinc/73/72/72/1079737272.db2.gz IOHRCPKMJZRTRY-UHFFFAOYSA-N 0 0 423.179 2.017 20 5 HEBDRN CN(CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000772224781 1079748120 /nfs/dbraw/zinc/74/81/20/1079748120.db2.gz DNQAYXVIKLWADW-UHFFFAOYSA-N 0 0 403.869 2.360 20 5 HEBDRN CCS[C@H](C)c1noc(COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 ZINC000767268726 1079765317 /nfs/dbraw/zinc/76/53/17/1079765317.db2.gz VNVHRTOKEUKACP-SECBINFHSA-N 0 0 420.403 2.131 20 5 HEBDRN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)CN1C(=O)c2ccccc2C1=O ZINC000767276349 1079774341 /nfs/dbraw/zinc/77/43/41/1079774341.db2.gz TVGRNCDBHINNRI-UHFFFAOYSA-N 0 0 414.395 2.095 20 5 HEBDRN Cc1cc(S(=O)(=O)NCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000772231625 1079777809 /nfs/dbraw/zinc/77/78/09/1079777809.db2.gz JJHZPFOBARFSDM-YVMONPNESA-N 0 0 409.489 2.381 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCC1(CN2C(=O)c3ccccc3C2=O)CCCC1 ZINC000772255448 1079790448 /nfs/dbraw/zinc/79/04/48/1079790448.db2.gz NKAXORICQUIRLE-UHFFFAOYSA-N 0 0 412.402 2.191 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(CO)n1C1CC1 ZINC000767301205 1079800921 /nfs/dbraw/zinc/80/09/21/1079800921.db2.gz NIHJEAHKXPESGX-UHFFFAOYSA-N 0 0 406.392 2.161 20 5 HEBDRN Cn1c2cc([N+](=O)[O-])c(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2n(C)c1=O ZINC000804352060 1079805913 /nfs/dbraw/zinc/80/59/13/1079805913.db2.gz NXTCTTJKNKXOEX-UHFFFAOYSA-N 0 0 412.406 2.020 20 5 HEBDRN CNC(=O)COc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000767318599 1079816226 /nfs/dbraw/zinc/81/62/26/1079816226.db2.gz DAXJWDYAKBWWHJ-UHFFFAOYSA-N 0 0 400.796 2.141 20 5 HEBDRN Cc1cc(F)cc(C(=O)OCC(=O)CCN2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] ZINC000767364387 1079830449 /nfs/dbraw/zinc/83/04/49/1079830449.db2.gz FXLKIJISKRJVMA-UHFFFAOYSA-N 0 0 414.345 2.455 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772344458 1079833468 /nfs/dbraw/zinc/83/34/68/1079833468.db2.gz CAMXAZMDJVMJGO-UHFFFAOYSA-N 0 0 402.407 2.216 20 5 HEBDRN CC/C=C\CCOC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000767411532 1079837000 /nfs/dbraw/zinc/83/70/00/1079837000.db2.gz FCCPWYIJCHSVPR-ARJAWSKDSA-N 0 0 411.480 2.373 20 5 HEBDRN Cc1ccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000767392780 1079843252 /nfs/dbraw/zinc/84/32/52/1079843252.db2.gz BYEBHWKAFPBYJR-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN COCc1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000767429522 1079858990 /nfs/dbraw/zinc/85/89/90/1079858990.db2.gz YQIKDGHTTXLFLP-UHFFFAOYSA-N 0 0 420.491 2.421 20 5 HEBDRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000767430864 1079859340 /nfs/dbraw/zinc/85/93/40/1079859340.db2.gz VJZREEWZNCGBGY-UHFFFAOYSA-N 0 0 423.429 2.364 20 5 HEBDRN C[C@@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000772414608 1079864262 /nfs/dbraw/zinc/86/42/62/1079864262.db2.gz WAVDQKWFYJGSNH-RNCFNFMXSA-N 0 0 404.828 2.086 20 5 HEBDRN Cc1nc(CCOC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cs1 ZINC000767481042 1079897739 /nfs/dbraw/zinc/89/77/39/1079897739.db2.gz UQQHRPYVCKGHSC-UHFFFAOYSA-N 0 0 406.449 2.434 20 5 HEBDRN Cn1ccnc1[C@H](O)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000772575535 1079935196 /nfs/dbraw/zinc/93/51/96/1079935196.db2.gz WAYMOMUMMNEBRY-LJQANCHMSA-N 0 0 401.467 2.493 20 5 HEBDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000772582687 1079943834 /nfs/dbraw/zinc/94/38/34/1079943834.db2.gz PLTSRNXZNSJFHX-UKRRQHHQSA-N 0 0 420.466 2.229 20 5 HEBDRN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000772583930 1079944773 /nfs/dbraw/zinc/94/47/73/1079944773.db2.gz XLEWZZVVUZRWFO-GOSISDBHSA-N 0 0 410.434 2.100 20 5 HEBDRN Cn1nc2c(c1C(=O)OCCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000767576482 1079963880 /nfs/dbraw/zinc/96/38/80/1079963880.db2.gz KODKHBVKODWMFH-UHFFFAOYSA-N 0 0 400.391 2.362 20 5 HEBDRN Cc1c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000772572813 1079975596 /nfs/dbraw/zinc/97/55/96/1079975596.db2.gz GNJZDZUHLRUTAY-KRWDZBQOSA-N 0 0 417.422 2.439 20 5 HEBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)c1c[nH]c2ncccc12 ZINC000767617916 1080012734 /nfs/dbraw/zinc/01/27/34/1080012734.db2.gz LEIDKXQGJYVBSU-SNVBAGLBSA-N 0 0 417.399 2.303 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000767655566 1080023388 /nfs/dbraw/zinc/02/33/88/1080023388.db2.gz GONAFUKPFJKGAO-NSHDSACASA-N 0 0 410.901 2.144 20 5 HEBDRN Cc1sc(S(=O)(=O)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000767708366 1080043595 /nfs/dbraw/zinc/04/35/95/1080043595.db2.gz SORKKCQXGSQTHP-UHFFFAOYSA-N 0 0 406.463 2.128 20 5 HEBDRN Cc1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000785593496 1080066801 /nfs/dbraw/zinc/06/68/01/1080066801.db2.gz ZUBDUZXXVPBHRN-UHFFFAOYSA-N 0 0 404.339 2.393 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](CCO)c1ccccc1 ZINC000767808507 1080111148 /nfs/dbraw/zinc/11/11/48/1080111148.db2.gz UGRKZHGGIMKPLM-INIZCTEOSA-N 0 0 402.403 2.377 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](CCO)c1ccccc1 ZINC000767808508 1080111623 /nfs/dbraw/zinc/11/16/23/1080111623.db2.gz UGRKZHGGIMKPLM-MRXNPFEDSA-N 0 0 402.403 2.377 20 5 HEBDRN Cc1sc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000767819461 1080128099 /nfs/dbraw/zinc/12/80/99/1080128099.db2.gz VXVOTDOPJKCSDJ-ZBFHGGJFSA-N 0 0 412.489 2.478 20 5 HEBDRN O=C(OCCn1cnc2ccccc2c1=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000785676322 1080154675 /nfs/dbraw/zinc/15/46/75/1080154675.db2.gz FEKGBRKXZJDFCH-UHFFFAOYSA-N 0 0 405.370 2.347 20 5 HEBDRN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736138 1080208860 /nfs/dbraw/zinc/20/88/60/1080208860.db2.gz PGAUVRMNNWNEFW-CHWSQXEVSA-N 0 0 407.423 2.111 20 5 HEBDRN C[C@H]1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]1CO ZINC000785776825 1080241403 /nfs/dbraw/zinc/24/14/03/1080241403.db2.gz YLXUUBJYSFTTPN-UGSOOPFHSA-N 0 0 420.443 2.205 20 5 HEBDRN Cn1nc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000767980209 1080246623 /nfs/dbraw/zinc/24/66/23/1080246623.db2.gz CNHMPKYBTFDBCR-LLVKDONJSA-N 0 0 424.360 2.391 20 5 HEBDRN CNC(=O)Cn1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1C ZINC000768001001 1080269753 /nfs/dbraw/zinc/26/97/53/1080269753.db2.gz BGRCAVKEOPQJJD-UHFFFAOYSA-N 0 0 400.439 2.088 20 5 HEBDRN CC(C)CN1C[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CCN2C1=O ZINC000785877231 1080272322 /nfs/dbraw/zinc/27/23/22/1080272322.db2.gz JIOHCCVTEYBGAE-CQSZACIVSA-N 0 0 409.874 2.265 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000746561624 1080273591 /nfs/dbraw/zinc/27/35/91/1080273591.db2.gz WAZCZRHDJLOBLB-ZDUSSCGKSA-N 0 0 407.379 2.117 20 5 HEBDRN CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(C)(C)O1 ZINC000785844180 1080277614 /nfs/dbraw/zinc/27/76/14/1080277614.db2.gz NFVMKUCASOJEPC-UHFFFAOYSA-N 0 0 413.496 2.010 20 5 HEBDRN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1=O ZINC000746562663 1080278139 /nfs/dbraw/zinc/27/81/39/1080278139.db2.gz YEWMKZAZEPVBDX-GFCCVEGCSA-N 0 0 407.379 2.117 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785862280 1080286415 /nfs/dbraw/zinc/28/64/15/1080286415.db2.gz YSDCFYLVQOOPRT-LBPRGKRZSA-N 0 0 418.410 2.372 20 5 HEBDRN 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C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771509254 1079365595 /nfs/dbraw/zinc/36/55/95/1079365595.db2.gz KPVXPFDZBZQCKO-VIFPVBQESA-N 0 0 421.460 2.080 20 5 HEBDRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510840 1079366979 /nfs/dbraw/zinc/36/69/79/1079366979.db2.gz UJTUCZPUMSSEIQ-LLVKDONJSA-N 0 0 401.379 2.274 20 5 HEBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1nc(Cc2ccccc2)no1 ZINC000766784743 1079373015 /nfs/dbraw/zinc/37/30/15/1079373015.db2.gz WSBAUMUYVPIPMV-UHFFFAOYSA-N 0 0 402.432 2.231 20 5 HEBDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000771565704 1079387222 /nfs/dbraw/zinc/38/72/22/1079387222.db2.gz IBUSBKSVVDXJDZ-IJKBJJPYSA-N 0 0 414.506 2.257 20 5 HEBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000771596440 1079390785 /nfs/dbraw/zinc/39/07/85/1079390785.db2.gz LUNWQPIJFRKEGQ-DZGCQCFKSA-N 0 0 410.448 2.042 20 5 HEBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000771596442 1079390955 /nfs/dbraw/zinc/39/09/55/1079390955.db2.gz LUNWQPIJFRKEGQ-UKRRQHHQSA-N 0 0 410.448 2.042 20 5 HEBDRN NC(=O)c1cc(OC2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)ccn1 ZINC000771619410 1079401534 /nfs/dbraw/zinc/40/15/34/1079401534.db2.gz JGLTZTOXLFAWFA-UHFFFAOYSA-N 0 0 422.445 2.453 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1C ZINC000766852569 1079438294 /nfs/dbraw/zinc/43/82/94/1079438294.db2.gz ZXUTUPQKBUZAQR-WBVHZDCISA-N 0 0 408.480 2.222 20 5 HEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1C ZINC000766851712 1079438656 /nfs/dbraw/zinc/43/86/56/1079438656.db2.gz MEIDYCOZUHEHAS-RDJZCZTQSA-N 0 0 408.480 2.222 20 5 HEBDRN CCO[C@@H]1C[C@@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000771633874 1079442238 /nfs/dbraw/zinc/44/22/38/1079442238.db2.gz UWPVIRABQKVHKW-HZPDHXFCSA-N 0 0 412.464 2.154 20 5 HEBDRN Nc1nc(CN2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000804340713 1079461136 /nfs/dbraw/zinc/46/11/36/1079461136.db2.gz XVOXNZKVAURHKB-UHFFFAOYSA-N 0 0 409.406 2.351 20 5 HEBDRN CCC(CC)[C@H](CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000771730591 1079468213 /nfs/dbraw/zinc/46/82/13/1079468213.db2.gz NCOYNNVPCUQFMB-KRWDZBQOSA-N 0 0 417.503 2.458 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc([N+](=O)[O-])c1F ZINC000771735255 1079471280 /nfs/dbraw/zinc/47/12/80/1079471280.db2.gz SCPGMAVAJFIQNV-ZDUSSCGKSA-N 0 0 422.438 2.477 20 5 HEBDRN CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000771743109 1079475845 /nfs/dbraw/zinc/47/58/45/1079475845.db2.gz QLWZGJLUWLPZGS-UHFFFAOYSA-N 0 0 401.460 2.311 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1F ZINC000771744487 1079476736 /nfs/dbraw/zinc/47/67/36/1079476736.db2.gz VJKFBSQHRCYSSG-HNNXBMFYSA-N 0 0 407.423 2.122 20 5 HEBDRN COc1cc(Cc2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000771745857 1079477908 /nfs/dbraw/zinc/47/79/08/1079477908.db2.gz LIDDFZUMKVMAHA-UHFFFAOYSA-N 0 0 404.339 2.203 20 5 HEBDRN CCc1cc(N2CCC[C@H](NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)C2)ncn1 ZINC000771752687 1079483697 /nfs/dbraw/zinc/48/36/97/1079483697.db2.gz GAHPIMONOYKHQD-AWEZNQCLSA-N 0 0 423.470 2.342 20 5 HEBDRN Cc1cc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1F ZINC000771723271 1079491530 /nfs/dbraw/zinc/49/15/30/1079491530.db2.gz DQZJFIOGGQNHEC-UHFFFAOYSA-N 0 0 403.338 2.238 20 5 HEBDRN O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000737267937 1075896700 /nfs/dbraw/zinc/89/67/00/1075896700.db2.gz PUCBLRCKMVPEBB-UHFFFAOYSA-N 0 0 400.782 2.084 20 5 HEBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000065252771 1075906164 /nfs/dbraw/zinc/90/61/64/1075906164.db2.gz ZPFHXVHUGGCVFE-KGLIPLIRSA-N 0 0 420.466 2.279 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771720477 1079489963 /nfs/dbraw/zinc/48/99/63/1079489963.db2.gz BGMHLWZTVGUYLR-UHFFFAOYSA-N 0 0 401.460 2.215 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc([N+](=O)[O-])c1F ZINC000771722034 1079491064 /nfs/dbraw/zinc/49/10/64/1079491064.db2.gz VVAOKZBFPJMXRF-UHFFFAOYSA-N 0 0 423.466 2.428 20 5 HEBDRN COc1cccc(C(=O)N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000738019315 1075951713 /nfs/dbraw/zinc/95/17/13/1075951713.db2.gz TYXJBQMKNAONRE-UHFFFAOYSA-N 0 0 422.445 2.277 20 5 HEBDRN Cn1c(=O)cc(Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)n(-c2ccccc2)c1=O ZINC001169958841 1079494487 /nfs/dbraw/zinc/49/44/87/1079494487.db2.gz UPIMRLPWWOCRFL-UHFFFAOYSA-N 0 0 408.349 2.270 20 5 HEBDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738113279 1075966731 /nfs/dbraw/zinc/96/67/31/1075966731.db2.gz XXLURRGLMGNUAX-JTQLQIEISA-N 0 0 404.265 2.453 20 5 HEBDRN Cn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC001169961698 1079496198 /nfs/dbraw/zinc/49/61/98/1079496198.db2.gz ALOAFEXZRBFXTN-MYYSRTQBSA-N 0 0 413.297 2.396 20 5 HEBDRN CN(CC(=O)OCCCC(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738677337 1076015599 /nfs/dbraw/zinc/01/55/99/1076015599.db2.gz JLMZOQINYFUXHQ-UHFFFAOYSA-N 0 0 420.443 2.422 20 5 HEBDRN COc1ccc(-n2cc(CNS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)nn2)cc1 ZINC000771780303 1079501234 /nfs/dbraw/zinc/50/12/34/1079501234.db2.gz LLUBNLZYXBZPKP-UHFFFAOYSA-N 0 0 421.410 2.110 20 5 HEBDRN CCOC(=O)c1cc(C(=O)OCCn2cnc3ccsc3c2=O)cc([N+](=O)[O-])c1 ZINC000739346738 1076057956 /nfs/dbraw/zinc/05/79/56/1076057956.db2.gz FOGWHALPWGJTRM-UHFFFAOYSA-N 0 0 417.399 2.400 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000739897866 1076086245 /nfs/dbraw/zinc/08/62/45/1076086245.db2.gz WVJSKKKDKSCRKE-UHFFFAOYSA-N 0 0 414.484 2.490 20 5 HEBDRN Cc1ccc(NCCCNS(=O)(=O)c2cccc3c2COC3=O)c([N+](=O)[O-])c1 ZINC000739979574 1076090055 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/nfs/dbraw/zinc/16/42/49/1076164249.db2.gz MCYGBBHFMPBRII-YEJSDXFRSA-N 0 0 410.810 2.360 20 5 HEBDRN C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740399712 1076164276 /nfs/dbraw/zinc/16/42/76/1076164276.db2.gz RXPVHFQRZYBENK-NDNKKMJESA-N 0 0 401.375 2.491 20 5 HEBDRN C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000740399727 1076164300 /nfs/dbraw/zinc/16/43/00/1076164300.db2.gz MCYGBBHFMPBRII-WAAKLRNESA-N 0 0 410.810 2.360 20 5 HEBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NC[C@H]1CCCO1 ZINC000740423702 1076167665 /nfs/dbraw/zinc/16/76/65/1076167665.db2.gz UZWZPXQMAYSPAU-GXSJLCMTSA-N 0 0 401.213 2.198 20 5 HEBDRN CC(C)(C)NS(=O)(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000740581279 1076196059 /nfs/dbraw/zinc/19/60/59/1076196059.db2.gz PJNVFVPOELPDFE-UHFFFAOYSA-N 0 0 409.258 2.118 20 5 HEBDRN COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000740667110 1076211619 /nfs/dbraw/zinc/21/16/19/1076211619.db2.gz UVHLENKKPMXCOP-JTQLQIEISA-N 0 0 403.254 2.478 20 5 HEBDRN O=C([C@H]1CSC(=O)N1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000740740705 1076229928 /nfs/dbraw/zinc/22/99/28/1076229928.db2.gz ZFTABXKTJBPDEN-SNVBAGLBSA-N 0 0 404.370 2.087 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC000766255114 1076236466 /nfs/dbraw/zinc/23/64/66/1076236466.db2.gz NJQUWSBBIGENGS-LLVKDONJSA-N 0 0 408.455 2.427 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000740790157 1076238297 /nfs/dbraw/zinc/23/82/97/1076238297.db2.gz AMIITEYOWLVNJD-UHFFFAOYSA-N 0 0 402.338 2.240 20 5 HEBDRN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740790677 1076238685 /nfs/dbraw/zinc/23/86/85/1076238685.db2.gz OCRRASXVKWYQFR-WAPJZHGLSA-N 0 0 409.398 2.321 20 5 HEBDRN CNc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000740844467 1076265625 /nfs/dbraw/zinc/26/56/25/1076265625.db2.gz XWHPQFSARPAEPS-UHFFFAOYSA-N 0 0 413.390 2.143 20 5 HEBDRN O=C(c1cccn1Cc1ccncc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740844123 1076265685 /nfs/dbraw/zinc/26/56/85/1076265685.db2.gz PICOKNPOJPJPBN-UHFFFAOYSA-N 0 0 419.441 2.438 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000740850791 1076267706 /nfs/dbraw/zinc/26/77/06/1076267706.db2.gz ZONYNVKXRMJHCA-UHFFFAOYSA-N 0 0 415.402 2.444 20 5 HEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000740886356 1076284729 /nfs/dbraw/zinc/28/47/29/1076284729.db2.gz OCAOUCLRCDXHNP-UHFFFAOYSA-N 0 0 400.391 2.340 20 5 HEBDRN O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000740932200 1076300626 /nfs/dbraw/zinc/30/06/26/1076300626.db2.gz HXEVROJOVSHHAL-KGLIPLIRSA-N 0 0 407.810 2.296 20 5 HEBDRN O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000740932199 1076300653 /nfs/dbraw/zinc/30/06/53/1076300653.db2.gz HXEVROJOVSHHAL-KBPBESRZSA-N 0 0 407.810 2.296 20 5 HEBDRN CC(C)(C)N1C[C@H](C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000740953871 1076312428 /nfs/dbraw/zinc/31/24/28/1076312428.db2.gz HDZGCMAIARXQPU-GFCCVEGCSA-N 0 0 405.407 2.083 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](O)CCc1ccccc1 ZINC000741005581 1076325928 /nfs/dbraw/zinc/32/59/28/1076325928.db2.gz VHFFMHJSINOIHX-GUYCJALGSA-N 0 0 402.403 2.467 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000741011673 1076327505 /nfs/dbraw/zinc/32/75/05/1076327505.db2.gz WJKZIYYCSVNWJA-SFHVURJKSA-N 0 0 407.423 2.316 20 5 HEBDRN C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N1[C@H](C)CC[C@@H]1C ZINC000741023259 1076340413 /nfs/dbraw/zinc/34/04/13/1076340413.db2.gz UQMNWWZPAPRLAL-HZSPNIEDSA-N 0 0 421.450 2.499 20 5 HEBDRN CC(C)[C@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741026863 1076341877 /nfs/dbraw/zinc/34/18/77/1076341877.db2.gz OWUPHNFUZZGANC-ZRGWGRIASA-N 0 0 407.467 2.235 20 5 HEBDRN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741097241 1076368812 /nfs/dbraw/zinc/36/88/12/1076368812.db2.gz CNSBEDVPDGDBKM-WFASDCNBSA-N 0 0 406.439 2.295 20 5 HEBDRN COc1ccc([C@@H]2[C@@H](COC(=O)CCn3cc([N+](=O)[O-])cn3)CCC(=O)N2C)cc1 ZINC000741122987 1076379775 /nfs/dbraw/zinc/37/97/75/1076379775.db2.gz WXNUKDPNLHRNIM-FOIQADDNSA-N 0 0 416.434 2.343 20 5 HEBDRN C[C@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1cccc([N+](=O)[O-])c1 ZINC000741179266 1076396956 /nfs/dbraw/zinc/39/69/56/1076396956.db2.gz MHKWDOWZFAWJRI-ZDUSSCGKSA-N 0 0 407.423 2.278 20 5 HEBDRN NC(=O)COc1cccc2c1CCCN2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001273382012 1076408676 /nfs/dbraw/zinc/40/86/76/1076408676.db2.gz UQSOTBGGVOARLC-UHFFFAOYSA-N 0 0 421.413 2.238 20 5 HEBDRN CNC(=O)c1cc(C)ccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000741231858 1076426536 /nfs/dbraw/zinc/42/65/36/1076426536.db2.gz DHHNLFFZLOYDNA-UHFFFAOYSA-N 0 0 404.810 2.285 20 5 HEBDRN 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CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(Cc1csc([N+](=O)[O-])c1)C2=O ZINC000741735042 1076614053 /nfs/dbraw/zinc/61/40/53/1076614053.db2.gz GAQNLFCGWRTWRT-UHFFFAOYSA-N 0 0 410.452 2.478 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000741751190 1076619102 /nfs/dbraw/zinc/61/91/02/1076619102.db2.gz AWFCUKWONZCPHJ-LBPRGKRZSA-N 0 0 411.842 2.110 20 5 HEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741805242 1076644060 /nfs/dbraw/zinc/64/40/60/1076644060.db2.gz UGEXZXVWZUIZLW-ZDUSSCGKSA-N 0 0 408.455 2.483 20 5 HEBDRN Cc1ccc(N2CC[C@H](OC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1 ZINC000741824828 1076646632 /nfs/dbraw/zinc/64/66/32/1076646632.db2.gz TVMMMLLRAUPDRW-SFHVURJKSA-N 0 0 411.414 2.290 20 5 HEBDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000741905701 1076666092 /nfs/dbraw/zinc/66/60/92/1076666092.db2.gz XRTJZRPFNNNUAB-ZDUSSCGKSA-N 0 0 420.443 2.375 20 5 HEBDRN 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CS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 ZINC000742740044 1076873305 /nfs/dbraw/zinc/87/33/05/1076873305.db2.gz MQBJTDQZTAJFQE-HOTGVXAUSA-N 0 0 406.508 2.277 20 5 HEBDRN COc1ccc(OC)c([C@H](O)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000742796543 1076880934 /nfs/dbraw/zinc/88/09/34/1076880934.db2.gz JUONSQHUSXXWPQ-GOSISDBHSA-N 0 0 412.402 2.261 20 5 HEBDRN Cc1ccc(OC[C@@H](C)NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000742822573 1076883169 /nfs/dbraw/zinc/88/31/69/1076883169.db2.gz KVWYEQLHAQEFPC-OAHLLOKOSA-N 0 0 421.475 2.155 20 5 HEBDRN COC(=O)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1C(=O)OC ZINC000742915607 1076896959 /nfs/dbraw/zinc/89/69/59/1076896959.db2.gz FHWRKHAVSPHJDJ-UHFFFAOYSA-N 0 0 412.358 2.156 20 5 HEBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742934454 1076898753 /nfs/dbraw/zinc/89/87/53/1076898753.db2.gz GSWZRSOAJKFXPE-SNVBAGLBSA-N 0 0 403.782 2.337 20 5 HEBDRN O=C(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000743127710 1076967485 /nfs/dbraw/zinc/96/74/85/1076967485.db2.gz RTIBVZNLIUBJCL-UHFFFAOYSA-N 0 0 424.369 2.347 20 5 HEBDRN Cc1ccc([C@H](O)CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000743258003 1077009565 /nfs/dbraw/zinc/00/95/65/1077009565.db2.gz KPFCMEVVWDJMLZ-HXUWFJFHSA-N 0 0 419.503 2.162 20 5 HEBDRN COc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-n1cnnn1 ZINC000743264306 1077018087 /nfs/dbraw/zinc/01/80/87/1077018087.db2.gz LPTHJKWQVTVKPO-UHFFFAOYSA-N 0 0 410.799 2.033 20 5 HEBDRN CCO[C@@H](C)c1noc(CN(C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)n1 ZINC000743371730 1077034583 /nfs/dbraw/zinc/03/45/83/1077034583.db2.gz PLSBGCQGOVGZDR-ZDUSSCGKSA-N 0 0 414.422 2.389 20 5 HEBDRN CC(=O)Nc1cc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000743390988 1077039993 /nfs/dbraw/zinc/03/99/93/1077039993.db2.gz LJCGAHMEULGWMY-UHFFFAOYSA-N 0 0 406.345 2.429 20 5 HEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000743421537 1077050572 /nfs/dbraw/zinc/05/05/72/1077050572.db2.gz LOTQIIHVHFVNLV-UHFFFAOYSA-N 0 0 410.289 2.359 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000743511641 1077065397 /nfs/dbraw/zinc/06/53/97/1077065397.db2.gz WDXANJQNUQPCSR-AUUYWEPGSA-N 0 0 421.475 2.495 20 5 HEBDRN COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000743553943 1077067953 /nfs/dbraw/zinc/06/79/53/1077067953.db2.gz QJAKNVNKVDBGDU-LJQANCHMSA-N 0 0 416.365 2.148 20 5 HEBDRN Cc1cccc(C2(O)CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000743699465 1077092410 /nfs/dbraw/zinc/09/24/10/1077092410.db2.gz IGKZOKOREPJYKH-UHFFFAOYSA-N 0 0 411.458 2.452 20 5 HEBDRN CCc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000743785860 1077115057 /nfs/dbraw/zinc/11/50/57/1077115057.db2.gz CZCRBCMLDLRCRX-UHFFFAOYSA-N 0 0 406.424 2.188 20 5 HEBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000743799938 1077122875 /nfs/dbraw/zinc/12/28/75/1077122875.db2.gz HFQCRFPDYSYGLO-SNVBAGLBSA-N 0 0 418.381 2.250 20 5 HEBDRN CCc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000743803024 1077125314 /nfs/dbraw/zinc/12/53/14/1077125314.db2.gz CIMZUZVHLREQOV-UHFFFAOYSA-N 0 0 406.424 2.269 20 5 HEBDRN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000743838841 1077140914 /nfs/dbraw/zinc/14/09/14/1077140914.db2.gz YTVJTLXIZJOSLX-TVQRCGJNSA-N 0 0 422.239 2.015 20 5 HEBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000743908018 1077222365 /nfs/dbraw/zinc/22/23/65/1077222365.db2.gz QHXVMVCSIMUMHW-UHFFFAOYSA-N 0 0 401.423 2.430 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000743937999 1077230415 /nfs/dbraw/zinc/23/04/15/1077230415.db2.gz FSZIBNSTNDMSBD-GFCCVEGCSA-N 0 0 422.438 2.010 20 5 HEBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000743953231 1077261492 /nfs/dbraw/zinc/26/14/92/1077261492.db2.gz QNQDHCXUTLHNJF-UHFFFAOYSA-N 0 0 412.402 2.157 20 5 HEBDRN CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000743952464 1077280809 /nfs/dbraw/zinc/28/08/09/1077280809.db2.gz JDRVDCGCSPJTQU-UHFFFAOYSA-N 0 0 418.837 2.247 20 5 HEBDRN Cc1cc(C(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000744112055 1077320106 /nfs/dbraw/zinc/32/01/06/1077320106.db2.gz AIUSPOFEUPWRTH-UHFFFAOYSA-N 0 0 418.431 2.387 20 5 HEBDRN O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cn(Cc2ccccn2)nn1 ZINC000744090031 1077320435 /nfs/dbraw/zinc/32/04/35/1077320435.db2.gz HZMXKFBJRFNLII-UHFFFAOYSA-N 0 0 423.433 2.098 20 5 HEBDRN CNC(=O)c1cccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000744117360 1077323202 /nfs/dbraw/zinc/32/32/02/1077323202.db2.gz RLCUNILGYNQUOO-MRXNPFEDSA-N 0 0 411.414 2.416 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000744148793 1077331047 /nfs/dbraw/zinc/33/10/47/1077331047.db2.gz MFJIOYYFSKMWJZ-UHFFFAOYSA-N 0 0 401.375 2.124 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)[C@H](c2ccccc2)n2cccn2)c([N+](=O)[O-])c1 ZINC000744149292 1077331498 /nfs/dbraw/zinc/33/14/98/1077331498.db2.gz VHHWRRIMYKIXJL-SFHVURJKSA-N 0 0 409.402 2.135 20 5 HEBDRN CCc1ccc(OC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000744151686 1077332574 /nfs/dbraw/zinc/33/25/74/1077332574.db2.gz LVDMFHBCPKTSRA-UHFFFAOYSA-N 0 0 420.443 2.238 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000744339426 1077369547 /nfs/dbraw/zinc/36/95/47/1077369547.db2.gz SKUTZOCTRALVOK-MNOVXSKESA-N 0 0 410.370 2.490 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406288 1077382335 /nfs/dbraw/zinc/38/23/35/1077382335.db2.gz AXTCCBHMAGALIF-CYBMUJFWSA-N 0 0 400.395 2.331 20 5 HEBDRN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000766312352 1077388384 /nfs/dbraw/zinc/38/83/84/1077388384.db2.gz RJXJRTQGJRMKAY-UHFFFAOYSA-N 0 0 402.388 2.313 20 5 HEBDRN COC(=O)[C@H](OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1F ZINC000744457094 1077399979 /nfs/dbraw/zinc/39/99/79/1077399979.db2.gz NITSIGQCOIDNCD-QGZVFWFLSA-N 0 0 404.350 2.230 20 5 HEBDRN Cc1ncc(COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000744497293 1077416871 /nfs/dbraw/zinc/41/68/71/1077416871.db2.gz HNVXAGSGECKUCC-UHFFFAOYSA-N 0 0 405.841 2.035 20 5 HEBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000780634039 1077430129 /nfs/dbraw/zinc/43/01/29/1077430129.db2.gz JRCOICIZOUWNDT-UHFFFAOYSA-N 0 0 408.432 2.194 20 5 HEBDRN O=C(Cn1ccc(=O)c2ccccc21)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000744526891 1077442788 /nfs/dbraw/zinc/44/27/88/1077442788.db2.gz FINZQNXIQLQQCE-UHFFFAOYSA-N 0 0 407.382 2.042 20 5 HEBDRN CCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000744561083 1077470699 /nfs/dbraw/zinc/47/06/99/1077470699.db2.gz KYRKPULSDFFBAR-UHFFFAOYSA-N 0 0 424.431 2.137 20 5 HEBDRN CC(C)CO[C@H](C)c1noc(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000744581895 1077495129 /nfs/dbraw/zinc/49/51/29/1077495129.db2.gz SKMFSJXTNGLIGI-LLVKDONJSA-N 0 0 420.378 2.363 20 5 HEBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000744615338 1077503446 /nfs/dbraw/zinc/50/34/46/1077503446.db2.gz XEKNLYUIMJRASH-MSOLQXFVSA-N 0 0 401.419 2.263 20 5 HEBDRN O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)NCCN1CCc2ccccc21 ZINC000744614711 1077503871 /nfs/dbraw/zinc/50/38/71/1077503871.db2.gz MTDBPCUFTGMGEC-UHFFFAOYSA-N 0 0 422.441 2.272 20 5 HEBDRN COc1ccc(OCCOC(=O)[C@@H]2CCCCN2c2ncccn2)c([N+](=O)[O-])c1 ZINC000744693128 1077545166 /nfs/dbraw/zinc/54/51/66/1077545166.db2.gz VXKPBMNLFJGGAA-HNNXBMFYSA-N 0 0 402.407 2.375 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1 ZINC000744721995 1077555533 /nfs/dbraw/zinc/55/55/33/1077555533.db2.gz HONADSWWFJDZRG-AWEZNQCLSA-N 0 0 416.434 2.443 20 5 HEBDRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000744817838 1077588920 /nfs/dbraw/zinc/58/89/20/1077588920.db2.gz MBDBYYJZCWFWQO-IUODEOHRSA-N 0 0 407.423 2.265 20 5 HEBDRN O=C(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000744854733 1077623256 /nfs/dbraw/zinc/62/32/56/1077623256.db2.gz WSCCKCAVGHTWIT-HNNXBMFYSA-N 0 0 424.475 2.298 20 5 HEBDRN COc1cc(OCC(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)ccc1[N+](=O)[O-] ZINC000744872880 1077631169 /nfs/dbraw/zinc/63/11/69/1077631169.db2.gz LNFLPHFNEMHHMY-INIZCTEOSA-N 0 0 424.406 2.104 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000744923887 1077654015 /nfs/dbraw/zinc/65/40/15/1077654015.db2.gz AREUFRIVPLHTMH-NSHDSACASA-N 0 0 406.395 2.114 20 5 HEBDRN Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000744924828 1077654046 /nfs/dbraw/zinc/65/40/46/1077654046.db2.gz QFTJTIAICOBVHW-CYBMUJFWSA-N 0 0 417.422 2.423 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000744926881 1077655011 /nfs/dbraw/zinc/65/50/11/1077655011.db2.gz CVHHSRDWBKIHMS-KSSFIOAISA-N 0 0 417.462 2.498 20 5 HEBDRN CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000744927961 1077655910 /nfs/dbraw/zinc/65/59/10/1077655910.db2.gz PVIPYMHGSTVNHT-NSHDSACASA-N 0 0 403.395 2.055 20 5 HEBDRN Cn1cc(N2CCC[C@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)cn1 ZINC000744916113 1077665525 /nfs/dbraw/zinc/66/55/25/1077665525.db2.gz VGTGQRQCUWZYJQ-AWEZNQCLSA-N 0 0 423.223 2.443 20 5 HEBDRN COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000744970018 1077684894 /nfs/dbraw/zinc/68/48/94/1077684894.db2.gz ZAXCDONZJRVKSP-QMMMGPOBSA-N 0 0 410.770 2.239 20 5 HEBDRN COC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000745023929 1077708296 /nfs/dbraw/zinc/70/82/96/1077708296.db2.gz KGGPJTWUUTZOJE-ZANVPECISA-N 0 0 401.803 2.499 20 5 HEBDRN O=C(OCc1nc(CC(F)(F)F)no1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000745026496 1077709277 /nfs/dbraw/zinc/70/92/77/1077709277.db2.gz CUVZHBIGRDFGCD-MRVPVSSYSA-N 0 0 418.284 2.024 20 5 HEBDRN CC(C)CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000745028559 1077709975 /nfs/dbraw/zinc/70/99/75/1077709975.db2.gz KBHVAOJCGOWIGH-CHWSQXEVSA-N 0 0 411.480 2.355 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000745074047 1077719861 /nfs/dbraw/zinc/71/98/61/1077719861.db2.gz NNMPZSWCOSQVSV-ZDUSSCGKSA-N 0 0 406.435 2.216 20 5 HEBDRN CC(=O)N[C@H](CC(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000745140881 1077752347 /nfs/dbraw/zinc/75/23/47/1077752347.db2.gz KCLARRGYUJFLCN-MRXNPFEDSA-N 0 0 421.356 2.283 20 5 HEBDRN C[C@H](OC(=O)c1ccc(S(N)(=O)=O)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000745252232 1077782169 /nfs/dbraw/zinc/78/21/69/1077782169.db2.gz HHIMBWKZSWFGHD-QMMMGPOBSA-N 0 0 424.416 2.272 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000745276134 1077801062 /nfs/dbraw/zinc/80/10/62/1077801062.db2.gz MMWQSDDCSJPKNC-LBPRGKRZSA-N 0 0 400.435 2.256 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000745385459 1077816127 /nfs/dbraw/zinc/81/61/27/1077816127.db2.gz CKJBNMDYSLELEY-UHFFFAOYSA-N 0 0 408.432 2.389 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC000745385845 1077816152 /nfs/dbraw/zinc/81/61/52/1077816152.db2.gz KLIHFXIXNXAIPI-UHFFFAOYSA-N 0 0 405.451 2.165 20 5 HEBDRN Cc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000771762600 1079518065 /nfs/dbraw/zinc/51/80/65/1079518065.db2.gz QAGWDQVMWKJRTL-HNNXBMFYSA-N 0 0 407.423 2.435 20 5 HEBDRN CC(C)(NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000771767175 1079520962 /nfs/dbraw/zinc/52/09/62/1079520962.db2.gz ZFFOGKNHWMNFLM-UHFFFAOYSA-N 0 0 405.451 2.377 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)cc([N+](=O)[O-])c1F ZINC000771774166 1079527450 /nfs/dbraw/zinc/52/74/50/1079527450.db2.gz DSLYMGRWPCBGLD-AWEZNQCLSA-N 0 0 416.452 2.107 20 5 HEBDRN Cc1c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C1CCOCC1 ZINC000766993982 1079556239 /nfs/dbraw/zinc/55/62/39/1079556239.db2.gz MQTONTDUWWZBSJ-UHFFFAOYSA-N 0 0 402.407 2.271 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766963223 1079559537 /nfs/dbraw/zinc/55/95/37/1079559537.db2.gz ZJXGKTIPNUFMMK-JOQOYGCGSA-N 0 0 417.466 2.252 20 5 HEBDRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766969144 1079564855 /nfs/dbraw/zinc/56/48/55/1079564855.db2.gz QAVRLBXJPMOPNC-UHFFFAOYSA-N 0 0 424.435 2.233 20 5 HEBDRN Cc1cc(C(=O)NCC(=O)OC[C@H]2CN(c3ccccc3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000771853221 1079566127 /nfs/dbraw/zinc/56/61/27/1079566127.db2.gz QXTUDTKVGTWVDT-MRXNPFEDSA-N 0 0 413.386 2.202 20 5 HEBDRN CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000766971315 1079566612 /nfs/dbraw/zinc/56/66/12/1079566612.db2.gz CHRHPGYQQVSZAO-OAHLLOKOSA-N 0 0 402.407 2.248 20 5 HEBDRN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000766972791 1079568107 /nfs/dbraw/zinc/56/81/07/1079568107.db2.gz LDCZKSZBUYAEJV-LLVKDONJSA-N 0 0 404.379 2.078 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCOC[C@@H]1OCc1ccccc1 ZINC000767002183 1079601170 /nfs/dbraw/zinc/60/11/70/1079601170.db2.gz CVXIWAPUXRLLOM-OALUTQOASA-N 0 0 414.414 2.242 20 5 HEBDRN Cc1noc(C)c1C(=O)COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000771959466 1079605241 /nfs/dbraw/zinc/60/52/41/1079605241.db2.gz VHYREOVFTJNIRH-UHFFFAOYSA-N 0 0 403.347 2.314 20 5 HEBDRN Cc1c(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cnn1CC(C)C ZINC000767026130 1079610637 /nfs/dbraw/zinc/61/06/37/1079610637.db2.gz RMFIWAANAOZNQX-UHFFFAOYSA-N 0 0 404.379 2.280 20 5 HEBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCCc2cccc(Cl)c2Cl)n1 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O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768814282 1080789195 /nfs/dbraw/zinc/78/91/95/1080789195.db2.gz QIFGOGMJJPBKIX-UHFFFAOYSA-N 0 0 416.525 2.441 20 5 HEBDRN CC1(C)c2cc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2NC1=O ZINC000768782175 1080795072 /nfs/dbraw/zinc/79/50/72/1080795072.db2.gz KUHISOGCFUAFJH-UHFFFAOYSA-N 0 0 412.402 2.192 20 5 HEBDRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768795435 1080801233 /nfs/dbraw/zinc/80/12/33/1080801233.db2.gz RSVKHLREMXZLTB-HNNXBMFYSA-N 0 0 411.505 2.414 20 5 HEBDRN O=C1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1c1c(F)cccc1F ZINC000768851063 1080805490 /nfs/dbraw/zinc/80/54/90/1080805490.db2.gz BXRNUHIEVYCOHN-LLVKDONJSA-N 0 0 403.388 2.018 20 5 HEBDRN CN1Cc2cc(OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2C1=O ZINC000768854628 1080806042 /nfs/dbraw/zinc/80/60/42/1080806042.db2.gz NUYPAZJRCRGWMW-UHFFFAOYSA-N 0 0 411.370 2.474 20 5 HEBDRN Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 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Cc1cc(N2CCC[C@@H](NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000769284563 1081031623 /nfs/dbraw/zinc/03/16/23/1081031623.db2.gz FUPCTSQSKOQZTD-GFCCVEGCSA-N 0 0 401.452 2.040 20 5 HEBDRN Cc1nn(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1[N+](=O)[O-] ZINC000769320894 1081041362 /nfs/dbraw/zinc/04/13/62/1081041362.db2.gz OVDLZEPHJGYLQU-INIZCTEOSA-N 0 0 400.435 2.464 20 5 HEBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000787216594 1081052033 /nfs/dbraw/zinc/05/20/33/1081052033.db2.gz KMKYNYBORWAHNB-AWEZNQCLSA-N 0 0 407.224 2.238 20 5 HEBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000769383354 1081059759 /nfs/dbraw/zinc/05/97/59/1081059759.db2.gz ROCQDFXPSPTPAT-UHFFFAOYSA-N 0 0 402.411 2.366 20 5 HEBDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000769396322 1081077313 /nfs/dbraw/zinc/07/73/13/1081077313.db2.gz ZMBBTAYPKLCIPO-CYBMUJFWSA-N 0 0 408.455 2.074 20 5 HEBDRN COC(CN(CCCO)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)OC ZINC000787279444 1081088866 /nfs/dbraw/zinc/08/88/66/1081088866.db2.gz LVYHCXPTQHUBMF-OAHLLOKOSA-N 0 0 409.483 2.275 20 5 HEBDRN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000769491925 1081094252 /nfs/dbraw/zinc/09/42/52/1081094252.db2.gz GMVXSDUEISXAIM-KRWDZBQOSA-N 0 0 415.358 2.390 20 5 HEBDRN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000769540152 1081115030 /nfs/dbraw/zinc/11/50/30/1081115030.db2.gz DNPVIDYVCWOZNT-INIZCTEOSA-N 0 0 415.446 2.214 20 5 HEBDRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000769599069 1081116440 /nfs/dbraw/zinc/11/64/40/1081116440.db2.gz AARIVVZNSINEBV-LBPRGKRZSA-N 0 0 416.386 2.252 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000769600009 1081118231 /nfs/dbraw/zinc/11/82/31/1081118231.db2.gz IRPXSFKKWINHSI-UHFFFAOYSA-N 0 0 410.386 2.262 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)c(=O)[nH]c1=O ZINC000769637802 1081158028 /nfs/dbraw/zinc/15/80/28/1081158028.db2.gz BNGHTNFRPSXSTM-UHFFFAOYSA-N 0 0 415.399 2.344 20 5 HEBDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])C(C)C)CC1 ZINC000769602773 1081165308 /nfs/dbraw/zinc/16/53/08/1081165308.db2.gz YHPCYYUIFDZVPT-KRWDZBQOSA-N 0 0 422.434 2.196 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000769605762 1081167149 /nfs/dbraw/zinc/16/71/49/1081167149.db2.gz STZGBIKTYZLPQK-KRWDZBQOSA-N 0 0 418.377 2.499 20 5 HEBDRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000769621358 1081176950 /nfs/dbraw/zinc/17/69/50/1081176950.db2.gz GXYKFNGVEJDDKL-ZDUSSCGKSA-N 0 0 419.438 2.113 20 5 HEBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccn2c(Br)cnc12 ZINC000769621267 1081177801 /nfs/dbraw/zinc/17/78/01/1081177801.db2.gz FDMPWJVQRPPZAU-UHFFFAOYSA-N 0 0 416.195 2.206 20 5 HEBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)nc1Cl ZINC001164696540 719795173 /nfs/dbraw/zinc/79/51/73/719795173.db2.gz VKOIDJWVWLANEF-RYUDHWBXSA-N 0 0 412.784 2.072 20 5 HEBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)nc1Cl ZINC001164696538 719795869 /nfs/dbraw/zinc/79/58/69/719795869.db2.gz VKOIDJWVWLANEF-NEPJUHHUSA-N 0 0 412.784 2.072 20 5 HEBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705663 719871741 /nfs/dbraw/zinc/87/17/41/719871741.db2.gz NNJXKQUIOGQOEM-QRWLVFNGSA-N 0 0 422.482 2.010 20 5 HEBDRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C3)n1 ZINC001164806459 720053737 /nfs/dbraw/zinc/05/37/37/720053737.db2.gz RYNAVEDIKLPFNV-HZMBPMFUSA-N 0 0 401.757 2.284 20 5 HEBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)c1 ZINC001164766226 721261034 /nfs/dbraw/zinc/26/10/34/721261034.db2.gz TWMPZDKFODGIAB-OLZOCXBDSA-N 0 0 412.784 2.072 20 5 HEBDRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164798146 721557742 /nfs/dbraw/zinc/55/77/42/721557742.db2.gz AKCMBKZURSRYLO-JFIYKMOQSA-N 0 0 419.869 2.145 20 5 HEBDRN Cc1nc(CN2CCOC[C@@]3(CN(c4ncc([N+](=O)[O-])cc4F)CCO3)C2)cs1 ZINC001164922788 721826427 /nfs/dbraw/zinc/82/64/27/721826427.db2.gz GINYUKYLWATTGG-SFHVURJKSA-N 0 0 423.470 2.002 20 5 HEBDRN COc1cc(OC)nc(CN2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)n1 ZINC001165030882 721847320 /nfs/dbraw/zinc/84/73/20/721847320.db2.gz WVTFJPZVRXKKCT-UHFFFAOYSA-N 0 0 410.434 2.272 20 5 HEBDRN NC(=O)N1CCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)CC1 ZINC001165041612 721941682 /nfs/dbraw/zinc/94/16/82/721941682.db2.gz AIVKKPDBAMSYHW-UHFFFAOYSA-N 0 0 412.784 2.451 20 5 HEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC001164945461 721961932 /nfs/dbraw/zinc/96/19/32/721961932.db2.gz KZHRMJFOEOHOBP-ROUUACIJSA-N 0 0 410.434 2.232 20 5 HEBDRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)[C@H]2C1 ZINC001164949947 721983249 /nfs/dbraw/zinc/98/32/49/721983249.db2.gz RTHGGKMQEJLVAY-KOLCDFICSA-N 0 0 410.830 2.048 20 5 HEBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3c(Cn4cccn4)nnc3C2)c1 ZINC001164973413 722088887 /nfs/dbraw/zinc/08/88/87/722088887.db2.gz JZBRXMAGCPQSFF-UHFFFAOYSA-N 0 0 424.799 2.435 20 5 HEBDRN COc1ncnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1[N+](=O)[O-] ZINC001164985349 722181808 /nfs/dbraw/zinc/18/18/08/722181808.db2.gz BKISKZQFBVCRDG-HUUCEWRRSA-N 0 0 420.495 2.028 20 5 HEBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc([N+](=O)[O-])c(N)n4)CC[C@@H]32)cs1 ZINC001164991265 722183815 /nfs/dbraw/zinc/18/38/15/722183815.db2.gz PQVVLWNGMSMHQF-GOEBONIOSA-N 0 0 404.496 2.207 20 5 HEBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4N)CC[C@H]32)cs1 ZINC001164990095 722184842 /nfs/dbraw/zinc/18/48/42/722184842.db2.gz PZUSDXQHEUVIOW-SJORKVTESA-N 0 0 404.496 2.207 20 5 HEBDRN COc1cc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ncc1[N+](=O)[O-] ZINC001165005851 722263511 /nfs/dbraw/zinc/26/35/11/722263511.db2.gz DYLALKGEBVQKNB-FQEVSTJZSA-N 0 0 415.425 2.065 20 5 HEBDRN CC(C)Cc1noc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 ZINC000769667279 1078506442 /nfs/dbraw/zinc/50/64/42/1078506442.db2.gz DWNWZKRZCQQUTP-UHFFFAOYSA-N 0 0 402.363 2.187 20 5 HEBDRN CCCCCCn1cc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000769669532 1078509516 /nfs/dbraw/zinc/50/95/16/1078509516.db2.gz YQBMLMMJKCQUHJ-UHFFFAOYSA-N 0 0 415.399 2.344 20 5 HEBDRN COc1cccc(OCCOC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC000769669609 1078510057 /nfs/dbraw/zinc/51/00/57/1078510057.db2.gz SERCBYREOONRLC-UHFFFAOYSA-N 0 0 414.370 2.493 20 5 HEBDRN O=C(O[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769670812 1078511298 /nfs/dbraw/zinc/51/12/98/1078511298.db2.gz USWRKTZNPCSOEW-KRWDZBQOSA-N 0 0 423.381 2.211 20 5 HEBDRN CN(C)c1ncncc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000769699789 1078525690 /nfs/dbraw/zinc/52/56/90/1078525690.db2.gz MCNKTENGLTXPEF-UHFFFAOYSA-N 0 0 413.175 2.308 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000769701349 1078525807 /nfs/dbraw/zinc/52/58/07/1078525807.db2.gz MPQNMFOOFVTUSW-UHFFFAOYSA-N 0 0 418.475 2.282 20 5 HEBDRN CC(C)(C)C(=O)Nc1nc(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000745516107 1078534490 /nfs/dbraw/zinc/53/44/90/1078534490.db2.gz PHOONCCQGMKDPD-UHFFFAOYSA-N 0 0 420.447 2.421 20 5 HEBDRN O=C(COC(=O)c1cn(Cc2ccccn2)nn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000745581079 1078552169 /nfs/dbraw/zinc/55/21/69/1078552169.db2.gz YNPRBOJRDDTVBA-UHFFFAOYSA-N 0 0 416.781 2.079 20 5 HEBDRN C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000745569347 1078548774 /nfs/dbraw/zinc/54/87/74/1078548774.db2.gz XXQNJYMGQIRLBP-SSDOTTSWSA-N 0 0 424.295 2.464 20 5 HEBDRN COc1cccc([C@@H](O)C2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)c1 ZINC001170010724 1078554393 /nfs/dbraw/zinc/55/43/93/1078554393.db2.gz XKBIJHJATZFHTO-FQEVSTJZSA-N 0 0 402.451 2.471 20 5 HEBDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000769745243 1078557076 /nfs/dbraw/zinc/55/70/76/1078557076.db2.gz LMTWEDMRSFPYBN-NSHDSACASA-N 0 0 407.379 2.496 20 5 HEBDRN CN(CC(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000745619538 1078561801 /nfs/dbraw/zinc/56/18/01/1078561801.db2.gz ZVSWBZAVJSXSTM-LBPRGKRZSA-N 0 0 403.357 2.375 20 5 HEBDRN CN(CC(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000745619537 1078561932 /nfs/dbraw/zinc/56/19/32/1078561932.db2.gz ZVSWBZAVJSXSTM-GFCCVEGCSA-N 0 0 403.357 2.375 20 5 HEBDRN C[C@H]1Oc2ccc(C(=O)COC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000745614244 1078567384 /nfs/dbraw/zinc/56/73/84/1078567384.db2.gz GKHDTKJFZXCJKY-GFCCVEGCSA-N 0 0 413.386 2.177 20 5 HEBDRN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)n1nnc(-c2ccccc2)n1 ZINC000745679916 1078584469 /nfs/dbraw/zinc/58/44/69/1078584469.db2.gz CNPVUXYTXWAKGX-OLZOCXBDSA-N 0 0 410.390 2.380 20 5 HEBDRN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000745681423 1078584497 /nfs/dbraw/zinc/58/44/97/1078584497.db2.gz KLCJFSUNFZMFQN-OLZOCXBDSA-N 0 0 410.390 2.380 20 5 HEBDRN C[C@@H](C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)n1nnc(-c2ccccc2)n1 ZINC000745682783 1078596107 /nfs/dbraw/zinc/59/61/07/1078596107.db2.gz CGFVTQJGWSGHQE-SUMWQHHRSA-N 0 0 422.401 2.158 20 5 HEBDRN C[C@@H](C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)n1nnc(-c2ccccc2)n1 ZINC000745682782 1078596175 /nfs/dbraw/zinc/59/61/75/1078596175.db2.gz CGFVTQJGWSGHQE-GUYCJALGSA-N 0 0 422.401 2.158 20 5 HEBDRN CCOC(=O)c1cnn2c1nccc2C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000769839026 1078600430 /nfs/dbraw/zinc/60/04/30/1078600430.db2.gz HGLKBDJUIQWOMB-UHFFFAOYSA-N 0 0 400.347 2.050 20 5 HEBDRN COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769898577 1078619745 /nfs/dbraw/zinc/61/97/45/1078619745.db2.gz CTTJKFIRKMYASD-LBPRGKRZSA-N 0 0 420.871 2.289 20 5 HEBDRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745736567 1078621721 /nfs/dbraw/zinc/62/17/21/1078621721.db2.gz NWWFSEQEYWXMKQ-UHFFFAOYSA-N 0 0 407.448 2.316 20 5 HEBDRN COc1cc(OC)cc([C@H](O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000769900044 1078622822 /nfs/dbraw/zinc/62/28/22/1078622822.db2.gz WNPYSVUIMBDIAS-CYBMUJFWSA-N 0 0 402.450 2.223 20 5 HEBDRN COc1ccccc1COC1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000769918083 1078634337 /nfs/dbraw/zinc/63/43/37/1078634337.db2.gz MQUFYUQOTXTLAD-UHFFFAOYSA-N 0 0 421.475 2.436 20 5 HEBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1Cc2ccccc2C1=O ZINC000769946931 1078648584 /nfs/dbraw/zinc/64/85/84/1078648584.db2.gz ATFDBAPAYKNGNT-CQSZACIVSA-N 0 0 411.399 2.234 20 5 HEBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000745940203 1078694949 /nfs/dbraw/zinc/69/49/49/1078694949.db2.gz 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Cc1cc(=O)c(C(=O)NC[C@](C)(O)c2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000746011623 1078731654 /nfs/dbraw/zinc/73/16/54/1078731654.db2.gz ZBSDIUTUONTXTK-IBGZPJMESA-N 0 0 414.443 2.148 20 5 HEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)c2ccsc2)cc1OC ZINC000746011936 1078732456 /nfs/dbraw/zinc/73/24/56/1078732456.db2.gz PYXGQQLWGXOSDO-SFHVURJKSA-N 0 0 410.448 2.328 20 5 HEBDRN COCCOc1ncccc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000770121077 1078739311 /nfs/dbraw/zinc/73/93/11/1078739311.db2.gz HLKQYYLZQUKOEL-UHFFFAOYSA-N 0 0 416.434 2.483 20 5 HEBDRN C[C@@H]1CCCN(c2ccc(C(=O)OCCn3cnc([N+](=O)[O-])n3)cc2[N+](=O)[O-])C1 ZINC000770147303 1078747534 /nfs/dbraw/zinc/74/75/34/1078747534.db2.gz KOLSCSCBHRGNNR-GFCCVEGCSA-N 0 0 404.383 2.188 20 5 HEBDRN CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770155182 1078756540 /nfs/dbraw/zinc/75/65/40/1078756540.db2.gz CIEOEYPBXZMVCT-UHFFFAOYSA-N 0 0 402.201 2.138 20 5 HEBDRN C[C@H]1CN(C(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 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C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)C1 ZINC000804335248 1079369744 /nfs/dbraw/zinc/36/97/44/1079369744.db2.gz VUQGRNGQLRPMKN-GJZGRUSLSA-N 0 0 405.455 2.130 20 5 HEBDRN CN(C)c1cccc(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000771616089 1079398870 /nfs/dbraw/zinc/39/88/70/1079398870.db2.gz VMHFBDRPFQHEFC-UHFFFAOYSA-N 0 0 407.448 2.073 20 5 HEBDRN Cc1nc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccccc1 ZINC000771623062 1079405802 /nfs/dbraw/zinc/40/58/02/1079405802.db2.gz GYALHNYRGIKBGT-UHFFFAOYSA-N 0 0 419.401 2.393 20 5 HEBDRN C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)C[C@H](C)O1 ZINC000771627514 1079413112 /nfs/dbraw/zinc/41/31/12/1079413112.db2.gz OJRBIMBYGUOWEP-KBPBESRZSA-N 0 0 412.446 2.356 20 5 HEBDRN CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766835232 1079419192 /nfs/dbraw/zinc/41/91/92/1079419192.db2.gz VYKNRPPLRABKGJ-UHFFFAOYSA-N 0 0 413.496 2.408 20 5 HEBDRN C[C@@H](CCO)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000771654650 1079425929 /nfs/dbraw/zinc/42/59/29/1079425929.db2.gz NWEREQVEWUHOOX-ZDUSSCGKSA-N 0 0 408.432 2.111 20 5 HEBDRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H](O)c1ccc(F)cc1 ZINC000771671687 1079439104 /nfs/dbraw/zinc/43/91/04/1079439104.db2.gz HZLORAASGQLITD-YLVFBTJISA-N 0 0 405.382 2.170 20 5 HEBDRN CC(C)CN1N=C(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1=O ZINC000766857653 1079443245 /nfs/dbraw/zinc/44/32/45/1079443245.db2.gz PWHCULAYWAOHMM-UHFFFAOYSA-N 0 0 417.466 2.384 20 5 HEBDRN O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766847975 1079448158 /nfs/dbraw/zinc/44/81/58/1079448158.db2.gz FWQVVCBCMAJFSC-ZLENFMNRSA-N 0 0 421.500 2.358 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000771682510 1079448623 /nfs/dbraw/zinc/44/86/23/1079448623.db2.gz AHKXVORNYGZUHF-WYRIXSBYSA-N 0 0 406.366 2.172 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c([N+](=O)[O-])cnn2C)c1 ZINC000771713772 1079459957 /nfs/dbraw/zinc/45/99/57/1079459957.db2.gz QDZYHNLWLBFDQQ-UHFFFAOYSA-N 0 0 415.859 2.265 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC000771733698 1079470738 /nfs/dbraw/zinc/47/07/38/1079470738.db2.gz DNTFYUMSEKFVLH-WYRIXSBYSA-N 0 0 406.366 2.172 20 5 HEBDRN COC(=O)c1cc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc(C)c1[N+](=O)[O-] ZINC000771680270 1079464495 /nfs/dbraw/zinc/46/44/95/1079464495.db2.gz ABYFFWIZYWIXHL-UHFFFAOYSA-N 0 0 414.418 2.232 20 5 HEBDRN Cc1cc(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)cc([N+](=O)[O-])c1F ZINC000771729623 1079467841 /nfs/dbraw/zinc/46/78/41/1079467841.db2.gz BJDXWTLQCWWCDA-UHFFFAOYSA-N 0 0 409.395 2.477 20 5 HEBDRN CCOc1cc(N2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001169908779 1079473322 /nfs/dbraw/zinc/47/33/22/1079473322.db2.gz UTSAMTYSFDQAMF-GOSISDBHSA-N 0 0 407.511 2.419 20 5 HEBDRN O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000771745015 1079477398 /nfs/dbraw/zinc/47/73/98/1079477398.db2.gz XMRJDCYNNHVJDG-UHFFFAOYSA-N 0 0 408.388 2.042 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771751018 1079481446 /nfs/dbraw/zinc/48/14/46/1079481446.db2.gz LPLZXMYSVFSAGC-ZDUSSCGKSA-N 0 0 401.460 2.215 20 5 HEBDRN Cc1cc(S(=O)(=O)N(C)CC(=O)NCc2cccs2)cc([N+](=O)[O-])c1F ZINC000771752709 1079483768 /nfs/dbraw/zinc/48/37/68/1079483768.db2.gz GGQHRLWWGRRKKM-UHFFFAOYSA-N 0 0 401.441 2.041 20 5 HEBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000737316332 1075907072 /nfs/dbraw/zinc/90/70/72/1075907072.db2.gz IEVIMEPROSYJOQ-UHFFFAOYSA-N 0 0 412.807 2.480 20 5 HEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737476058 1075910330 /nfs/dbraw/zinc/91/03/30/1075910330.db2.gz QZLRUEBMYYECIE-UHFFFAOYSA-N 0 0 422.419 2.379 20 5 HEBDRN O=C(NCCOC(=O)c1cccc(-n2cccn2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000737327045 1075916275 /nfs/dbraw/zinc/91/62/75/1075916275.db2.gz XSLNDQUUHALHDO-UHFFFAOYSA-N 0 0 415.793 2.416 20 5 HEBDRN O=C(NCCS(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-])OCc1ccccc1 ZINC000771757628 1079489197 /nfs/dbraw/zinc/48/91/97/1079489197.db2.gz IBLJIYWFVMAXMO-UHFFFAOYSA-N 0 0 405.432 2.214 20 5 HEBDRN Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)N2CCOCC2)cc([N+](=O)[O-])c1F ZINC000771723946 1079492827 /nfs/dbraw/zinc/49/28/27/1079492827.db2.gz SAHONRFPNJVDBQ-UHFFFAOYSA-N 0 0 424.406 2.282 20 5 HEBDRN CCOC(=O)c1cc(Nc2cc(=O)n(C)c(=O)n2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001169960882 1079495458 /nfs/dbraw/zinc/49/54/58/1079495458.db2.gz DWALRSSDHUELPV-UHFFFAOYSA-N 0 0 410.386 2.365 20 5 HEBDRN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000738391101 1075993305 /nfs/dbraw/zinc/99/33/05/1075993305.db2.gz MDRGERIZZJUEBE-UHFFFAOYSA-N 0 0 416.864 2.403 20 5 HEBDRN CC(=O)c1ccc(OS(=O)(=O)CCNC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 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CS(=O)(=O)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000740890430 1076291439 /nfs/dbraw/zinc/29/14/39/1076291439.db2.gz UVCLSGQLCZWMER-UHFFFAOYSA-N 0 0 413.473 2.329 20 5 HEBDRN Cc1c(C(=O)NC[C@@H](O)c2c(F)cccc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000740932772 1076300394 /nfs/dbraw/zinc/30/03/94/1076300394.db2.gz FHHPGTXHQFVXJG-OAHLLOKOSA-N 0 0 403.345 2.226 20 5 HEBDRN CCOC(=O)C1=C(COc2ccc([N+](=O)[O-])cc2Br)NC(=O)N[C@@H]1C ZINC000737399323 1076303303 /nfs/dbraw/zinc/30/33/03/1076303303.db2.gz LDAKDQFQVFSOJC-MRVPVSSYSA-N 0 0 414.212 2.255 20 5 HEBDRN COc1ccccc1-c1nn(C)cc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000740997537 1076330637 /nfs/dbraw/zinc/33/06/37/1076330637.db2.gz BQUBOQRFZGYRBT-UHFFFAOYSA-N 0 0 410.386 2.460 20 5 HEBDRN CC(C)[C@@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000741026861 1076341969 /nfs/dbraw/zinc/34/19/69/1076341969.db2.gz OWUPHNFUZZGANC-KHYOSLBOSA-N 0 0 407.467 2.235 20 5 HEBDRN 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CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)C1 ZINC000741447188 1076532000 /nfs/dbraw/zinc/53/20/00/1076532000.db2.gz JRZHMZHVKHWDGY-UHFFFAOYSA-N 0 0 403.395 2.224 20 5 HEBDRN O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000741469546 1076536022 /nfs/dbraw/zinc/53/60/22/1076536022.db2.gz CLLKJVVNWQHBOH-UHFFFAOYSA-N 0 0 410.342 2.251 20 5 HEBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(O[C@H](C)C(N)=O)cc2)cc1OC ZINC000741639109 1076567064 /nfs/dbraw/zinc/56/70/64/1076567064.db2.gz OMPPOXGHUHCARU-LLVKDONJSA-N 0 0 404.375 2.474 20 5 HEBDRN Cn1cc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Br)C2)cn1 ZINC000741629633 1076572240 /nfs/dbraw/zinc/57/22/40/1076572240.db2.gz PMIHPNWUXBZMDK-NSHDSACASA-N 0 0 408.256 2.490 20 5 HEBDRN CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H]2CCCO[C@H]21 ZINC000741657137 1076579164 /nfs/dbraw/zinc/57/91/64/1076579164.db2.gz YOJGVUZWLOPVDO-CAHUOCRHSA-N 0 0 405.426 2.407 20 5 HEBDRN 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C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1 ZINC000742013847 1076707535 /nfs/dbraw/zinc/70/75/35/1076707535.db2.gz MMMLCNUGEOWDGI-DNVCBOLYSA-N 0 0 424.457 2.355 20 5 HEBDRN Cc1cc(=O)c(C(=O)NCCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1[N+](=O)[O-] ZINC000742007981 1076715850 /nfs/dbraw/zinc/71/58/50/1076715850.db2.gz URJDVOMFLPDULE-UHFFFAOYSA-N 0 0 423.385 2.330 20 5 HEBDRN CC[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742067201 1076733380 /nfs/dbraw/zinc/73/33/80/1076733380.db2.gz NINNHSHOOYLPNS-INIZCTEOSA-N 0 0 414.418 2.299 20 5 HEBDRN O=C(Cc1ccccc1)N1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742146310 1076758088 /nfs/dbraw/zinc/75/80/88/1076758088.db2.gz XOECAAKCCUWDMR-UHFFFAOYSA-N 0 0 406.446 2.198 20 5 HEBDRN O=C(c1ccc(F)cc1)N1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742145052 1076758152 /nfs/dbraw/zinc/75/81/52/1076758152.db2.gz LBYLTKHUTGAHKJ-UHFFFAOYSA-N 0 0 410.409 2.408 20 5 HEBDRN 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/nfs/dbraw/zinc/83/33/41/1076833341.db2.gz UBHUINYMBPSOGJ-UHFFFAOYSA-N 0 0 422.419 2.023 20 5 HEBDRN CS[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000742420667 1076836776 /nfs/dbraw/zinc/83/67/76/1076836776.db2.gz FCJZAFIIVYQDBL-CHWSQXEVSA-N 0 0 401.510 2.312 20 5 HEBDRN CCO[C@H](C)c1noc(CN2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)n1 ZINC000742422996 1076837002 /nfs/dbraw/zinc/83/70/02/1076837002.db2.gz HHMXSBUBANRNSM-CYBMUJFWSA-N 0 0 401.427 2.045 20 5 HEBDRN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000742535680 1076848777 /nfs/dbraw/zinc/84/87/77/1076848777.db2.gz XNNSFWFCAWTHNI-UHFFFAOYSA-N 0 0 402.407 2.047 20 5 HEBDRN CCCn1cc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cn1 ZINC000742721498 1076869661 /nfs/dbraw/zinc/86/96/61/1076869661.db2.gz SSYASORFRLNLFR-UHFFFAOYSA-N 0 0 400.439 2.122 20 5 HEBDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000742734342 1076871773 /nfs/dbraw/zinc/87/17/73/1076871773.db2.gz 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O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1coc(C2CCOCC2)n1 ZINC000786729339 1080778629 /nfs/dbraw/zinc/77/86/29/1080778629.db2.gz AVHCEZVFCZZJLL-MRXNPFEDSA-N 0 0 401.375 2.439 20 5 HEBDRN O=C(COc1cc([N+](=O)[O-])ccc1Br)NC(=O)NCC(F)(F)F ZINC000786746873 1080792068 /nfs/dbraw/zinc/79/20/68/1080792068.db2.gz MGWJOSSJNGIKBX-UHFFFAOYSA-N 0 0 400.107 2.124 20 5 HEBDRN CC[C@H](C)[C@@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Br)C(=O)OC ZINC000786746623 1080792092 /nfs/dbraw/zinc/79/20/92/1080792092.db2.gz LSPRQUMUBXAHGB-LKFCYVNXSA-N 0 0 403.229 2.440 20 5 HEBDRN C[C@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Br)C(=O)N1CCCCC1 ZINC000786746674 1080792107 /nfs/dbraw/zinc/79/21/07/1080792107.db2.gz YZVXHGMGLICELU-NSHDSACASA-N 0 0 414.256 2.253 20 5 HEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000768850984 1080805479 /nfs/dbraw/zinc/80/54/79/1080805479.db2.gz ADEZLUYJINGDNI-ZYHUDNBSSA-N 0 0 404.491 2.231 20 5 HEBDRN O=C(Nc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)[C@H]1CCCO1 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O=C(COC(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000769093372 1080903796 /nfs/dbraw/zinc/90/37/96/1080903796.db2.gz MMPCSLDXTQKTSO-SNVBAGLBSA-N 0 0 419.171 2.352 20 5 HEBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)ccc1S(=O)(=O)N1CCCC1 ZINC000786988309 1080942549 /nfs/dbraw/zinc/94/25/49/1080942549.db2.gz KEHMKHFPLVXJDJ-UHFFFAOYSA-N 0 0 420.447 2.222 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000769129239 1080948157 /nfs/dbraw/zinc/94/81/57/1080948157.db2.gz KGXFTVVUHKOQGI-SNVBAGLBSA-N 0 0 419.365 2.286 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000769132512 1080950320 /nfs/dbraw/zinc/95/03/20/1080950320.db2.gz KXTHLECMRFTEGJ-NSHDSACASA-N 0 0 419.365 2.043 20 5 HEBDRN O=C(C[C@@H]1CCS(=O)(=O)C1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787030168 1080956158 /nfs/dbraw/zinc/95/61/58/1080956158.db2.gz JCWLCQNKXWBJFZ-GXTWGEPZSA-N 0 0 400.428 2.071 20 5 HEBDRN O=C(COC(=O)[C@H](F)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769167580 1080984603 /nfs/dbraw/zinc/98/46/03/1080984603.db2.gz XYJRUBCBSQMOKD-LJQANCHMSA-N 0 0 401.394 2.497 20 5 HEBDRN CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000769226080 1081008833 /nfs/dbraw/zinc/00/88/33/1081008833.db2.gz PTTOTNJEIOCHHK-UHFFFAOYSA-N 0 0 404.467 2.473 20 5 HEBDRN COC(=O)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000746639654 1081020618 /nfs/dbraw/zinc/02/06/18/1081020618.db2.gz ZJNBXGNNVQGOHA-UHFFFAOYSA-N 0 0 411.358 2.123 20 5 HEBDRN NS(=O)(=O)c1ccc(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000746657863 1081043339 /nfs/dbraw/zinc/04/33/39/1081043339.db2.gz LCFAQTKSGVBTAT-UHFFFAOYSA-N 0 0 410.883 2.218 20 5 HEBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000769353042 1081051911 /nfs/dbraw/zinc/05/19/11/1081051911.db2.gz GBTUYEPXKPIIPG-CZUORRHYSA-N 0 0 405.363 2.369 20 5 HEBDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000787240537 1081065993 /nfs/dbraw/zinc/06/59/93/1081065993.db2.gz WWKVMMNFNDQDAS-GFCCVEGCSA-N 0 0 404.423 2.137 20 5 HEBDRN COc1cc(CN2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000769482583 1081078996 /nfs/dbraw/zinc/07/89/96/1081078996.db2.gz CFJWKESPTYKHEV-LLVKDONJSA-N 0 0 405.329 2.181 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000769470253 1081089813 /nfs/dbraw/zinc/08/98/13/1081089813.db2.gz JQILDTNDTUFZID-KRWDZBQOSA-N 0 0 404.467 2.362 20 5 HEBDRN CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746667453 1081101245 /nfs/dbraw/zinc/10/12/45/1081101245.db2.gz BXALIUOVTYIHIX-DEOSSOPVSA-N 0 0 402.416 2.439 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N(C)CCOc2ccccc2F)c1[N+](=O)[O-] ZINC000769573529 1081130748 /nfs/dbraw/zinc/13/07/48/1081130748.db2.gz BFUSQOFXOGGDJK-UHFFFAOYSA-N 0 0 406.366 2.437 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1[N+](=O)[O-] ZINC000769601036 1081163965 /nfs/dbraw/zinc/16/39/65/1081163965.db2.gz HVKQADQOGLBYIT-UHFFFAOYSA-N 0 0 419.302 2.036 20 5 HEBDRN COc1cccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1[N+](=O)[O-] ZINC000769602344 1081164485 /nfs/dbraw/zinc/16/44/85/1081164485.db2.gz DPIVVXJEOAMVTA-UHFFFAOYSA-N 0 0 401.331 2.258 20 5 HEBDRN COc1cccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000769602883 1081165307 /nfs/dbraw/zinc/16/53/07/1081165307.db2.gz ZRAMLZKAGCKSIL-OAHLLOKOSA-N 0 0 413.430 2.498 20 5 HEBDRN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000769612806 1081171282 /nfs/dbraw/zinc/17/12/82/1081171282.db2.gz GDJSWALUVWMPPP-LIRRHRJNSA-N 0 0 407.492 2.216 20 5 HEBDRN COC(=O)c1ccnc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164649067 719311647 /nfs/dbraw/zinc/31/16/47/719311647.db2.gz NZVBXMJUDDTLGH-UHFFFAOYSA-N 0 0 402.455 2.178 20 5 HEBDRN 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C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC1(C)OCCO1 ZINC000741252130 1076420974 /nfs/dbraw/zinc/42/09/74/1076420974.db2.gz PQWGANMVCXHADJ-JTQLQIEISA-N 0 0 423.285 2.425 20 5 HEBDRN CCOC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CCO1 ZINC000741233032 1076426922 /nfs/dbraw/zinc/42/69/22/1076426922.db2.gz SLVLSEJUKQXNDZ-GOSISDBHSA-N 0 0 405.451 2.235 20 5 HEBDRN CCO[C@H]1C[C@H](O)C12CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000741243570 1076433629 /nfs/dbraw/zinc/43/36/29/1076433629.db2.gz QNMCYYBRDBTPHX-GJZGRUSLSA-N 0 0 420.434 2.347 20 5 HEBDRN Cn1cc(S(=O)(=O)N2CCC(Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2)cn1 ZINC000741243473 1076434097 /nfs/dbraw/zinc/43/40/97/1076434097.db2.gz POOUFCOUGITIPS-UHFFFAOYSA-N 0 0 422.492 2.203 20 5 HEBDRN CNS(=O)(=O)c1ccc(NC[C@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000741246939 1076434758 /nfs/dbraw/zinc/43/47/58/1076434758.db2.gz RVRDPZOWTGFELE-AWEZNQCLSA-N 0 0 403.819 2.441 20 5 HEBDRN 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Cc1cccc(C(=O)O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000741819684 1076639139 /nfs/dbraw/zinc/63/91/39/1076639139.db2.gz PPKBJCLCONQYFZ-KGLIPLIRSA-N 0 0 400.387 2.405 20 5 HEBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000741826326 1076646680 /nfs/dbraw/zinc/64/66/80/1076646680.db2.gz CNHHTOBLYAXYRI-LBPRGKRZSA-N 0 0 404.448 2.458 20 5 HEBDRN Cc1ccc(C2=NO[C@H](C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)C2)cc1 ZINC001129325910 1076646788 /nfs/dbraw/zinc/64/67/88/1076646788.db2.gz GSBNWMAGOXGULA-FQEVSTJZSA-N 0 0 422.441 2.381 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741965887 1076687549 /nfs/dbraw/zinc/68/75/49/1076687549.db2.gz VBCQORFISBQWIA-RISCZKNCSA-N 0 0 417.441 2.185 20 5 HEBDRN Cn1ccc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)n1 ZINC000742021590 1076710374 /nfs/dbraw/zinc/71/03/74/1076710374.db2.gz SEEVEZWIHRCSHM-CYBMUJFWSA-N 0 0 422.239 2.016 20 5 HEBDRN 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ZINC000742748794 1076876566 /nfs/dbraw/zinc/87/65/66/1076876566.db2.gz IFQGUVXWRKXCRI-XNRPHZJLSA-N 0 0 413.521 2.148 20 5 HEBDRN CC(=O)Nc1ccc(OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000742835488 1076885400 /nfs/dbraw/zinc/88/54/00/1076885400.db2.gz GPVHQRKJMGUMBK-UHFFFAOYSA-N 0 0 403.322 2.023 20 5 HEBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000742894952 1076893662 /nfs/dbraw/zinc/89/36/62/1076893662.db2.gz CUSBSTOOKAOABZ-YVWKXTFCSA-N 0 0 419.441 2.218 20 5 HEBDRN CCc1ccc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000742903371 1076895239 /nfs/dbraw/zinc/89/52/39/1076895239.db2.gz WZVMMSVVNHQABN-UHFFFAOYSA-N 0 0 424.457 2.231 20 5 HEBDRN CCOc1cccc(NC(=S)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000742989312 1076914945 /nfs/dbraw/zinc/91/49/45/1076914945.db2.gz XVCRMCMNLYBISS-UHFFFAOYSA-N 0 0 424.504 2.258 20 5 HEBDRN NC(=O)Nc1ccc(C(=O)COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000743121927 1076965137 /nfs/dbraw/zinc/96/51/37/1076965137.db2.gz NFMUNEBUBXQSSQ-UHFFFAOYSA-N 0 0 409.358 2.311 20 5 HEBDRN CCOc1ccc(NC(=O)COC(=O)c2ccc(CNC(C)=O)s2)c([N+](=O)[O-])c1 ZINC000743154613 1076969564 /nfs/dbraw/zinc/96/95/64/1076969564.db2.gz ZQISTILYKJQDOF-UHFFFAOYSA-N 0 0 421.431 2.487 20 5 HEBDRN CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000743144897 1076976163 /nfs/dbraw/zinc/97/61/63/1076976163.db2.gz PZWVFYFFWWYYEK-UHFFFAOYSA-N 0 0 403.416 2.039 20 5 HEBDRN Cc1cc(C)cc([C@H](O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000743251904 1077014239 /nfs/dbraw/zinc/01/42/39/1077014239.db2.gz FMAHKOYDCMSDEA-HXUWFJFHSA-N 0 0 419.503 2.252 20 5 HEBDRN COC(=O)c1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc([N+](=O)[O-])c1 ZINC000743266435 1077018981 /nfs/dbraw/zinc/01/89/81/1077018981.db2.gz MPCRMFIQLKNCAE-UHFFFAOYSA-N 0 0 404.356 2.289 20 5 HEBDRN CN(CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000743313628 1077024694 /nfs/dbraw/zinc/02/46/94/1077024694.db2.gz WWTIMKHLTDZQEC-UHFFFAOYSA-N 0 0 414.418 2.205 20 5 HEBDRN COC(=O)CC(C)(C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000743343685 1077026700 /nfs/dbraw/zinc/02/67/00/1077026700.db2.gz HXVGCPKKISWTSP-UHFFFAOYSA-N 0 0 409.258 2.286 20 5 HEBDRN CCc1nsc(N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000743396463 1077041873 /nfs/dbraw/zinc/04/18/73/1077041873.db2.gz CBDROHDOVXRNFI-UHFFFAOYSA-N 0 0 400.468 2.047 20 5 HEBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC(OCC3CC3)CC2)C1=O ZINC000743407591 1077047757 /nfs/dbraw/zinc/04/77/57/1077047757.db2.gz SKFHECHSTZDNGQ-FQEVSTJZSA-N 0 0 402.451 2.210 20 5 HEBDRN Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(C)o1 ZINC000743510851 1077065196 /nfs/dbraw/zinc/06/51/96/1077065196.db2.gz QEXRVDYWNWBZDR-IFXJQAMLSA-N 0 0 405.407 2.026 20 5 HEBDRN C[C@@H](Nc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000743643711 1077079374 /nfs/dbraw/zinc/07/93/74/1077079374.db2.gz KFWXNSZXTRNHAO-YJYMSZOUSA-N 0 0 410.434 2.360 20 5 HEBDRN C[C@@H](Nc1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000743643708 1077079386 /nfs/dbraw/zinc/07/93/86/1077079386.db2.gz KFWXNSZXTRNHAO-BFUOFWGJSA-N 0 0 410.434 2.360 20 5 HEBDRN Cc1nc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 ZINC000743640453 1077085889 /nfs/dbraw/zinc/08/58/89/1077085889.db2.gz KYGMVMKNYNJJSB-UHFFFAOYSA-N 0 0 414.344 2.337 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743656176 1077088806 /nfs/dbraw/zinc/08/88/06/1077088806.db2.gz FJWLTIFUCHFCTP-CQSZACIVSA-N 0 0 400.483 2.408 20 5 HEBDRN CN1C(=O)COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc21 ZINC000743803940 1077126097 /nfs/dbraw/zinc/12/60/97/1077126097.db2.gz UJMSEEMSYAWAJU-UHFFFAOYSA-N 0 0 412.402 2.039 20 5 HEBDRN NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000743838742 1077140202 /nfs/dbraw/zinc/14/02/02/1077140202.db2.gz XIYVBODWLTYRQU-UHFFFAOYSA-N 0 0 423.422 2.065 20 5 HEBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000743896716 1077207170 /nfs/dbraw/zinc/20/71/70/1077207170.db2.gz ILTRYSNOEGRDLK-UHFFFAOYSA-N 0 0 412.402 2.157 20 5 HEBDRN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000743929465 1077253266 /nfs/dbraw/zinc/25/32/66/1077253266.db2.gz CPKOCFWOTTWPFF-OAHLLOKOSA-N 0 0 416.821 2.417 20 5 HEBDRN CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000743952433 1077280426 /nfs/dbraw/zinc/28/04/26/1077280426.db2.gz INLFPEATMCMXMC-UHFFFAOYSA-N 0 0 412.446 2.421 20 5 HEBDRN CC(C)CC(=O)NCCC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000744115431 1077328870 /nfs/dbraw/zinc/32/88/70/1077328870.db2.gz AXWJIQZTWNPHNB-OAHLLOKOSA-N 0 0 405.451 2.295 20 5 HEBDRN CCOc1cc(N2CCC(OC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)ccc1[N+](=O)[O-] ZINC000744203991 1077339457 /nfs/dbraw/zinc/33/94/57/1077339457.db2.gz LMKGBADXZMDRBH-UHFFFAOYSA-N 0 0 419.394 2.310 20 5 HEBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000744222974 1077343924 /nfs/dbraw/zinc/34/39/24/1077343924.db2.gz NPZLRWSAKVWZKX-LLVKDONJSA-N 0 0 401.400 2.310 20 5 HEBDRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000737512796 1077351599 /nfs/dbraw/zinc/35/15/99/1077351599.db2.gz XSCAFBUVOPCKOZ-LBPRGKRZSA-N 0 0 422.419 2.001 20 5 HEBDRN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2C1 ZINC000744397042 1077374340 /nfs/dbraw/zinc/37/43/40/1077374340.db2.gz XSRAPZWPUDVYDF-QGZVFWFLSA-N 0 0 417.466 2.410 20 5 HEBDRN Cc1cc(C(=O)NCC(=O)OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000744456857 1077399897 /nfs/dbraw/zinc/39/98/97/1077399897.db2.gz KBLLSVSUZGZGDV-AWEZNQCLSA-N 0 0 421.450 2.433 20 5 HEBDRN Cc1cc(=O)c(C(=O)OCc2nc(C(C)(C)C)no2)nn1-c1ccccc1[N+](=O)[O-] ZINC000744509353 1077425871 /nfs/dbraw/zinc/42/58/71/1077425871.db2.gz KITQUJCONAEZTK-UHFFFAOYSA-N 0 0 413.390 2.487 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NC(=O)NC1CC1 ZINC000744553537 1077466225 /nfs/dbraw/zinc/46/62/25/1077466225.db2.gz BVOKLJNBRYKHAO-LBPRGKRZSA-N 0 0 404.423 2.119 20 5 HEBDRN COc1ccc(OCCOC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c([N+](=O)[O-])c1 ZINC000744575295 1077489135 /nfs/dbraw/zinc/48/91/35/1077489135.db2.gz XTVYLZAVUXXHDC-UHFFFAOYSA-N 0 0 414.370 2.130 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000744577386 1077491153 /nfs/dbraw/zinc/49/11/53/1077491153.db2.gz RRPVJSYFAOHDHT-MRXNPFEDSA-N 0 0 422.390 2.101 20 5 HEBDRN COc1ccc(OCCOC(=O)Cn2cnc3c(C)cccc3c2=O)c([N+](=O)[O-])c1 ZINC000744609499 1077501143 /nfs/dbraw/zinc/50/11/43/1077501143.db2.gz YKGUIQKJGLFFGO-UHFFFAOYSA-N 0 0 413.386 2.244 20 5 HEBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccnc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000744601016 1077511086 /nfs/dbraw/zinc/51/10/86/1077511086.db2.gz CMJKWSCYJKVXTO-CQSZACIVSA-N 0 0 414.418 2.319 20 5 HEBDRN CCSCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744667116 1077533076 /nfs/dbraw/zinc/53/30/76/1077533076.db2.gz ORJFHUMXZJPKHK-HNNXBMFYSA-N 0 0 402.494 2.434 20 5 HEBDRN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744671937 1077536448 /nfs/dbraw/zinc/53/64/48/1077536448.db2.gz KUIIPVRPFMOBPN-LBPRGKRZSA-N 0 0 407.423 2.447 20 5 HEBDRN C[C@@H](OC(=O)c1sccc1-n1cnnn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000744717321 1077552370 /nfs/dbraw/zinc/55/23/70/1077552370.db2.gz YEMASTKUENUBJJ-MRVPVSSYSA-N 0 0 422.810 2.469 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000744730745 1077559842 /nfs/dbraw/zinc/55/98/42/1077559842.db2.gz GZDUACBUGSPSQM-CYBMUJFWSA-N 0 0 402.407 2.135 20 5 HEBDRN CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744767637 1077576711 /nfs/dbraw/zinc/57/67/11/1077576711.db2.gz TUDGFULYQSZKAM-CQSZACIVSA-N 0 0 409.351 2.238 20 5 HEBDRN CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000744817759 1077589414 /nfs/dbraw/zinc/58/94/14/1077589414.db2.gz LFNZAJVCNYPFEU-WFASDCNBSA-N 0 0 407.423 2.265 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(NC(C)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000744821972 1077607550 /nfs/dbraw/zinc/60/75/50/1077607550.db2.gz OTWCDILVKXFSAB-GFCCVEGCSA-N 0 0 407.423 2.313 20 5 HEBDRN CSCCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000744855012 1077623328 /nfs/dbraw/zinc/62/33/28/1077623328.db2.gz ZQCBKWYVGMILPY-CYBMUJFWSA-N 0 0 402.494 2.292 20 5 HEBDRN COc1cc(OCC(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)ccc1[N+](=O)[O-] ZINC000744871731 1077630078 /nfs/dbraw/zinc/63/00/78/1077630078.db2.gz BNHNWIAIEHMDEI-UHFFFAOYSA-N 0 0 420.422 2.195 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000744896734 1077637804 /nfs/dbraw/zinc/63/78/04/1077637804.db2.gz AGKSSXAQTBHZAU-SWLSCSKDSA-N 0 0 407.423 2.121 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000744896732 1077638060 /nfs/dbraw/zinc/63/80/60/1077638060.db2.gz AGKSSXAQTBHZAU-DOMZBBRYSA-N 0 0 407.423 2.121 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccc(I)cc1 ZINC000744901998 1077644499 /nfs/dbraw/zinc/64/44/99/1077644499.db2.gz JVVFQJJQVOLWJE-UHFFFAOYSA-N 0 0 414.155 2.105 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc(I)cc1 ZINC000744879677 1077648996 /nfs/dbraw/zinc/64/89/96/1077648996.db2.gz CZSMXTCDVVJEKS-UHFFFAOYSA-N 0 0 401.160 2.448 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744880149 1077649573 /nfs/dbraw/zinc/64/95/73/1077649573.db2.gz IKZZRAIOILHGCT-AWEZNQCLSA-N 0 0 424.360 2.440 20 5 HEBDRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000744924668 1077653463 /nfs/dbraw/zinc/65/34/63/1077653463.db2.gz OFONYPYWMCBSNZ-LBPRGKRZSA-N 0 0 418.406 2.192 20 5 HEBDRN 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CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000745138165 1077751098 /nfs/dbraw/zinc/75/10/98/1077751098.db2.gz GZUWNJAVIVIPEI-UHFFFAOYSA-N 0 0 406.416 2.074 20 5 HEBDRN C[C@](O)(Cc1ccccc1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000745146199 1077757235 /nfs/dbraw/zinc/75/72/35/1077757235.db2.gz KLKIYGIWKUWAFW-FQEVSTJZSA-N 0 0 400.387 2.430 20 5 HEBDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000766326310 1077788980 /nfs/dbraw/zinc/78/89/80/1077788980.db2.gz SFYBBNYQSFJMGB-UHFFFAOYSA-N 0 0 403.826 2.239 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000745275713 1077800500 /nfs/dbraw/zinc/80/05/00/1077800500.db2.gz KBKMSQJGIJPNEH-SNVBAGLBSA-N 0 0 418.406 2.034 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000745332896 1077805026 /nfs/dbraw/zinc/80/50/26/1077805026.db2.gz IHUZZHDKORPGFI-OAHLLOKOSA-N 0 0 413.430 2.123 20 5 HEBDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000745332288 1077805202 /nfs/dbraw/zinc/80/52/02/1077805202.db2.gz FVDPXYKLXFWBHR-UHFFFAOYSA-N 0 0 408.414 2.294 20 5 HEBDRN CCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000745337663 1077805798 /nfs/dbraw/zinc/80/57/98/1077805798.db2.gz DCDUOUCXRHSIGH-CQSZACIVSA-N 0 0 421.425 2.279 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000745387976 1077816712 /nfs/dbraw/zinc/81/67/12/1077816712.db2.gz OKTKCLGTQDVRFE-UHFFFAOYSA-N 0 0 406.416 2.339 20 5 HEBDRN Cc1cc(-n2cncn2)ccc1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745415176 1077820754 /nfs/dbraw/zinc/82/07/54/1077820754.db2.gz YMERYPDDEQDTIM-GOSISDBHSA-N 0 0 407.386 2.446 20 5 HEBDRN COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])c1OC ZINC000771783185 1079504313 /nfs/dbraw/zinc/50/43/13/1079504313.db2.gz DZBHFSJPODLCPX-UHFFFAOYSA-N 0 0 411.388 2.475 20 5 HEBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766931540 1079511240 /nfs/dbraw/zinc/51/12/40/1079511240.db2.gz MQHKJKHYVBITHR-CQSZACIVSA-N 0 0 423.385 2.132 20 5 HEBDRN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc([N+](=O)[O-])c1F ZINC000771773414 1079525685 /nfs/dbraw/zinc/52/56/85/1079525685.db2.gz DLMQGHBNRBGGKC-SWLSCSKDSA-N 0 0 414.411 2.149 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000771773417 1079526300 /nfs/dbraw/zinc/52/63/00/1079526300.db2.gz DMVIKPHMQZGCLV-CQSZACIVSA-N 0 0 407.423 2.235 20 5 HEBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCN1CCCCC1=O ZINC000766944775 1079533591 /nfs/dbraw/zinc/53/35/91/1079533591.db2.gz OAQSWSDFDHPFAA-UHFFFAOYSA-N 0 0 405.407 2.229 20 5 HEBDRN Cc1c(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C1CCOCC1 ZINC000766992753 1079553420 /nfs/dbraw/zinc/55/34/20/1079553420.db2.gz BQZNTJFNGSCCQQ-UHFFFAOYSA-N 0 0 414.418 2.197 20 5 HEBDRN CCc1ccc(NC(=O)c2nnc(COC(=O)c3c([N+](=O)[O-])cnn3C)s2)cc1 ZINC000766969976 1079565844 /nfs/dbraw/zinc/56/58/44/1079565844.db2.gz XZYMTUBWUWFRMR-UHFFFAOYSA-N 0 0 416.419 2.352 20 5 HEBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766972390 1079567330 /nfs/dbraw/zinc/56/73/30/1079567330.db2.gz PATLFEHMMLVJFZ-UHFFFAOYSA-N 0 0 401.206 2.451 20 5 HEBDRN CCOC(=O)CNC(=O)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000771929062 1079578074 /nfs/dbraw/zinc/57/80/74/1079578074.db2.gz RMNQAPXVKUJNIC-UHFFFAOYSA-N 0 0 414.256 2.253 20 5 HEBDRN NS(=O)(=O)c1ccc(NCC(=O)OCc2cccc(F)c2Cl)c([N+](=O)[O-])c1 ZINC000771895785 1079580688 /nfs/dbraw/zinc/58/06/88/1079580688.db2.gz IZPMSGIUQPCUJD-UHFFFAOYSA-N 0 0 417.802 2.190 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CCOC[C@@H]1OCc1ccccc1 ZINC000767002179 1079601242 /nfs/dbraw/zinc/60/12/42/1079601242.db2.gz CVXIWAPUXRLLOM-MOPGFXCFSA-N 0 0 414.414 2.242 20 5 HEBDRN CC(C)(C)OC(=O)N1CC[C@@H](N(C2CC2)S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000771987179 1079631760 /nfs/dbraw/zinc/63/17/60/1079631760.db2.gz GEDFKCRIBYKYLM-CYBMUJFWSA-N 0 0 412.468 2.152 20 5 HEBDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000771988204 1079633286 /nfs/dbraw/zinc/63/32/86/1079633286.db2.gz HAKQVAUYKTYVHE-NEPJUHHUSA-N 0 0 400.457 2.056 20 5 HEBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772058640 1079676615 /nfs/dbraw/zinc/67/66/15/1079676615.db2.gz LWMQHNPBYBNICD-ZDUSSCGKSA-N 0 0 412.406 2.315 20 5 HEBDRN COc1ccc(-c2csc(NC(=O)COC(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000772058651 1079677313 /nfs/dbraw/zinc/67/73/13/1079677313.db2.gz MADFVCNJTWQILV-UHFFFAOYSA-N 0 0 417.403 2.256 20 5 HEBDRN Cc1ccc(NC(=O)c2nnc(COC(=O)c3nn(C)cc3[N+](=O)[O-])s2)cc1 ZINC000772058141 1079677357 /nfs/dbraw/zinc/67/73/57/1079677357.db2.gz KTLNZWHVARQLEU-UHFFFAOYSA-N 0 0 402.392 2.098 20 5 HEBDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000767143219 1079681224 /nfs/dbraw/zinc/68/12/24/1079681224.db2.gz HUTKKNXILQHLTF-UHFFFAOYSA-N 0 0 402.382 2.194 20 5 HEBDRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772061803 1079704556 /nfs/dbraw/zinc/70/45/56/1079704556.db2.gz ZRNLNMVEDJYTPA-VIFPVBQESA-N 0 0 424.435 2.313 20 5 HEBDRN COC(=O)CS(=O)(=O)Cc1ccc(CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000772111314 1079714110 /nfs/dbraw/zinc/71/41/10/1079714110.db2.gz YKGKWWCWUICUSA-UHFFFAOYSA-N 0 0 408.432 2.303 20 5 HEBDRN CC[C@@]1(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)CCCN1C(=O)OC(C)(C)C ZINC000772117450 1079716974 /nfs/dbraw/zinc/71/69/74/1079716974.db2.gz CLYPPFKAMOFUIE-IBGZPJMESA-N 0 0 409.439 2.479 20 5 HEBDRN CN(C)S(=O)(=O)c1ccc(N2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000767207742 1079736713 /nfs/dbraw/zinc/73/67/13/1079736713.db2.gz FCMCYCRTZXAZMH-UHFFFAOYSA-N 0 0 405.476 2.333 20 5 HEBDRN C[C@H]1CCc2c(sc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)c2C(N)=O)C1 ZINC000767213201 1079741695 /nfs/dbraw/zinc/74/16/95/1079741695.db2.gz NAGQSQMLCKBLRO-QMMMGPOBSA-N 0 0 424.866 2.334 20 5 HEBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000767220765 1079747132 /nfs/dbraw/zinc/74/71/32/1079747132.db2.gz OPSVFFRJTRYWBG-UHFFFAOYSA-N 0 0 412.446 2.202 20 5 HEBDRN COC(=O)[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(OC)cc(OC)c1 ZINC000767261892 1079783556 /nfs/dbraw/zinc/78/35/56/1079783556.db2.gz ZJNKOXWDOATRDX-QGZVFWFLSA-N 0 0 419.342 2.412 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000772244059 1079784304 /nfs/dbraw/zinc/78/43/04/1079784304.db2.gz TXYGTSKGGSHRTJ-UHFFFAOYSA-N 0 0 403.869 2.326 20 5 HEBDRN COC(=O)c1cc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000772294675 1079798879 /nfs/dbraw/zinc/79/88/79/1079798879.db2.gz IIFGZSRIYUVIRG-CQSZACIVSA-N 0 0 409.439 2.420 20 5 HEBDRN CCC(=O)c1ccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(S(N)(=O)=O)c1 ZINC000804352503 1079818279 /nfs/dbraw/zinc/81/82/79/1079818279.db2.gz UPUHSHRWWVQZMW-UHFFFAOYSA-N 0 0 418.475 2.162 20 5 HEBDRN CCS(=O)(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000767377904 1079834001 /nfs/dbraw/zinc/83/40/01/1079834001.db2.gz NEWJXOASDKJIHO-UHFFFAOYSA-N 0 0 405.270 2.397 20 5 HEBDRN COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc(OC)cc(OC)c1 ZINC000767377617 1079834563 /nfs/dbraw/zinc/83/45/63/1079834563.db2.gz NFHRXCHOHLUGKH-MRXNPFEDSA-N 0 0 408.338 2.404 20 5 HEBDRN Cc1cccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000767393828 1079843943 /nfs/dbraw/zinc/84/39/43/1079843943.db2.gz FVKKEQWTGHACPL-UHFFFAOYSA-N 0 0 418.475 2.237 20 5 HEBDRN CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000767400793 1079848283 /nfs/dbraw/zinc/84/82/83/1079848283.db2.gz WNHZCURHRTXXNO-UHFFFAOYSA-N 0 0 422.438 2.068 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000767444194 1079851314 /nfs/dbraw/zinc/85/13/14/1079851314.db2.gz GCITUQDVRABVQW-WFASDCNBSA-N 0 0 423.422 2.101 20 5 HEBDRN CCOC1CC(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)(N2CCOCC2)C1 ZINC000767430788 1079859379 /nfs/dbraw/zinc/85/93/79/1079859379.db2.gz JHMDAFWIMZZMAR-UHFFFAOYSA-N 0 0 418.494 2.169 20 5 HEBDRN CCOC1CC(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)(N2CCOCC2)C1 ZINC000767431243 1079859993 /nfs/dbraw/zinc/85/99/93/1079859993.db2.gz LYHVGWSKTKHXGO-UHFFFAOYSA-N 0 0 420.466 2.233 20 5 HEBDRN CCOC1CC(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])(N2CCOCC2)C1 ZINC000767431373 1079860302 /nfs/dbraw/zinc/86/03/02/1079860302.db2.gz NVTOKXJQTUDNFS-FNORWQNLSA-N 0 0 419.478 2.463 20 5 HEBDRN CC(C)n1nccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000767465065 1079866850 /nfs/dbraw/zinc/86/68/50/1079866850.db2.gz DMDBTGUOTXPKJP-UHFFFAOYSA-N 0 0 404.379 2.329 20 5 HEBDRN CC(C)NC(=O)c1ccc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000767456298 1079882821 /nfs/dbraw/zinc/88/28/21/1079882821.db2.gz PAIRSOXNMUHRGM-UHFFFAOYSA-N 0 0 414.418 2.101 20 5 HEBDRN Cc1nc([C@](C)(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C2CC2)no1 ZINC001129368904 1079891795 /nfs/dbraw/zinc/89/17/95/1079891795.db2.gz PPDQDUBQJPUHGW-QGZVFWFLSA-N 0 0 421.360 2.166 20 5 HEBDRN C[S@](=O)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000772477152 1079895341 /nfs/dbraw/zinc/89/53/41/1079895341.db2.gz CIXDDKKSGIXZNU-SANMLTNESA-N 0 0 413.502 2.241 20 5 HEBDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000772579745 1079940399 /nfs/dbraw/zinc/94/03/99/1079940399.db2.gz LVVWXZYSSOKOON-UHFFFAOYSA-N 0 0 403.869 2.326 20 5 HEBDRN CCOc1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000772590718 1079951535 /nfs/dbraw/zinc/95/15/35/1079951535.db2.gz YDGDILIPNBDOLS-GOSISDBHSA-N 0 0 418.450 2.321 20 5 HEBDRN O=C(COC(=O)c1ccc(OC(F)F)cn1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000772553255 1079961076 /nfs/dbraw/zinc/96/10/76/1079961076.db2.gz NCTZNOGIHNZRGL-UHFFFAOYSA-N 0 0 411.273 2.115 20 5 HEBDRN COc1ccc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nc1 ZINC000767588052 1079972137 /nfs/dbraw/zinc/97/21/37/1079972137.db2.gz 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400.372 2.056 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(C)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000785509750 1080027655 /nfs/dbraw/zinc/02/76/55/1080027655.db2.gz GWUSMDZCYRUWHR-UHFFFAOYSA-N 0 0 409.372 2.360 20 5 HEBDRN COc1cc(C(=O)OCCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c(F)cc1N ZINC000767726190 1080054375 /nfs/dbraw/zinc/05/43/75/1080054375.db2.gz SSWMQVHVOKZZES-UHFFFAOYSA-N 0 0 405.338 2.480 20 5 HEBDRN COc1cccc([C@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CCN2)c1 ZINC001169974027 1080057446 /nfs/dbraw/zinc/05/74/46/1080057446.db2.gz HDRIYONXLONFJX-UYAOXDASSA-N 0 0 410.430 2.270 20 5 HEBDRN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785590278 1080064449 /nfs/dbraw/zinc/06/44/49/1080064449.db2.gz MPHGNOXRTVDTGV-OAHLLOKOSA-N 0 0 405.361 2.426 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC(=O)NC1CCCC1 ZINC000767768388 1080077360 /nfs/dbraw/zinc/07/73/60/1080077360.db2.gz JIZVWQQSONTNKB-LBPRGKRZSA-N 0 0 407.423 2.313 20 5 HEBDRN COC(=O)c1ccccc1CC(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000767773391 1080080695 /nfs/dbraw/zinc/08/06/95/1080080695.db2.gz BLHCZVWFMLMFLN-UHFFFAOYSA-N 0 0 414.370 2.465 20 5 HEBDRN CCc1[nH]nc(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)c1[N+](=O)[O-] ZINC000767815219 1080121464 /nfs/dbraw/zinc/12/14/64/1080121464.db2.gz QXZSDDIILBMPKG-UHFFFAOYSA-N 0 0 422.341 2.435 20 5 HEBDRN O=C(NCc1cccnn1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000767882429 1080199624 /nfs/dbraw/zinc/19/96/24/1080199624.db2.gz PCBHETNOUSWWHX-UHFFFAOYSA-N 0 0 410.356 2.435 20 5 HEBDRN C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2o1 ZINC000746560373 1080211999 /nfs/dbraw/zinc/21/19/99/1080211999.db2.gz CMYAKMWUGPWQQH-LBPRGKRZSA-N 0 0 410.386 2.381 20 5 HEBDRN COc1cccc(C[C@H](O)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000785706260 1080214767 /nfs/dbraw/zinc/21/47/67/1080214767.db2.gz JWGUBEJCQVTSRD-DIFFPNOSSA-N 0 0 406.366 2.216 20 5 HEBDRN COc1cccc(C[C@H](O)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000785706262 1080214824 /nfs/dbraw/zinc/21/48/24/1080214824.db2.gz JWGUBEJCQVTSRD-GTNSWQLSSA-N 0 0 406.366 2.216 20 5 HEBDRN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785717859 1080227188 /nfs/dbraw/zinc/22/71/88/1080227188.db2.gz HRLZYBLTYOOZBF-MOPGFXCFSA-N 0 0 418.446 2.348 20 5 HEBDRN Cc1nc(-c2ccc(C)cc2NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000767979042 1080246046 /nfs/dbraw/zinc/24/60/46/1080246046.db2.gz VIOXPLVTYXNGEP-UHFFFAOYSA-N 0 0 410.390 2.374 20 5 HEBDRN C[C@@](O)(CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000768005064 1080271435 /nfs/dbraw/zinc/27/14/35/1080271435.db2.gz HLJUUSGSOVGLIJ-OAQYLSRUSA-N 0 0 411.414 2.276 20 5 HEBDRN COC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(Br)c1 ZINC000785847437 1080278591 /nfs/dbraw/zinc/27/85/91/1080278591.db2.gz JGEIXAPWKALKAK-UHFFFAOYSA-N 0 0 409.196 2.250 20 5 HEBDRN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c(Br)c1 ZINC000785854049 1080282099 /nfs/dbraw/zinc/28/20/99/1080282099.db2.gz VRRSWDOIZZGKHE-UHFFFAOYSA-N 0 0 409.196 2.051 20 5 HEBDRN O=C(/C=C/c1cncc(F)c1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785853809 1080282691 /nfs/dbraw/zinc/28/26/91/1080282691.db2.gz CYWNSGQLLHWOMA-LZCJLJQNSA-N 0 0 414.393 2.034 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785857339 1080283891 /nfs/dbraw/zinc/28/38/91/1080283891.db2.gz HLEDVMXUXXKFSI-LBPRGKRZSA-N 0 0 418.410 2.372 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785862279 1080286386 /nfs/dbraw/zinc/28/63/86/1080286386.db2.gz YSDCFYLVQOOPRT-GFCCVEGCSA-N 0 0 418.410 2.372 20 5 HEBDRN C[C@@H](CNC(=O)OC(C)(C)C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000768071678 1080307094 /nfs/dbraw/zinc/30/70/94/1080307094.db2.gz ULXVJORYXDPRHH-NWDGAFQWSA-N 0 0 411.411 2.249 20 5 HEBDRN COc1ccc(C(=O)NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000785953869 1080315523 /nfs/dbraw/zinc/31/55/23/1080315523.db2.gz NPPHZYZGJDLYEL-UHFFFAOYSA-N 0 0 406.778 2.299 20 5 HEBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786000548 1080358221 /nfs/dbraw/zinc/35/82/21/1080358221.db2.gz CEDCOBSARLXPHE-UHFFFAOYSA-N 0 0 421.816 2.460 20 5 HEBDRN CC(C)(C)CNC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000768138843 1080369266 /nfs/dbraw/zinc/36/92/66/1080369266.db2.gz VBGSPXBFWVOOIG-GFCCVEGCSA-N 0 0 422.457 2.144 20 5 HEBDRN Cc1ccc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000768157730 1080376478 /nfs/dbraw/zinc/37/64/78/1080376478.db2.gz SJFBKGPYJNGBBH-UHFFFAOYSA-N 0 0 420.447 2.318 20 5 HEBDRN C[C@@H](Cc1ccccc1)NC(=S)NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000786073217 1080379312 /nfs/dbraw/zinc/37/93/12/1080379312.db2.gz KMLJQCUQWBZVCD-ZDUSSCGKSA-N 0 0 408.505 2.025 20 5 HEBDRN C[C@@H](Cc1ccccc1)NC(=S)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786088858 1080389260 /nfs/dbraw/zinc/38/92/60/1080389260.db2.gz KQSISXJLQBYMDO-AWEZNQCLSA-N 0 0 407.517 2.464 20 5 HEBDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000768261335 1080447672 /nfs/dbraw/zinc/44/76/72/1080447672.db2.gz TXZLPEAWLOYVCF-HNNXBMFYSA-N 0 0 409.439 2.114 20 5 HEBDRN NC(=O)c1ccc(OCCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000786127418 1080447822 /nfs/dbraw/zinc/44/78/22/1080447822.db2.gz XBWSOMDIEDKIQF-UHFFFAOYSA-N 0 0 421.793 2.298 20 5 HEBDRN Cc1cc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc([N+](=O)[O-])c1F ZINC000768267490 1080451467 /nfs/dbraw/zinc/45/14/67/1080451467.db2.gz ADLMPWZIRHOXJG-QGZVFWFLSA-N 0 0 423.466 2.394 20 5 HEBDRN C[C@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786258060 1080498892 /nfs/dbraw/zinc/49/88/92/1080498892.db2.gz XPFOMNBPGJUNNX-HOCLYGCPSA-N 0 0 419.482 2.284 20 5 HEBDRN Cc1c(C(=O)O[C@H](C)C(=O)NCC(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000786282201 1080527968 /nfs/dbraw/zinc/52/79/68/1080527968.db2.gz NBXWCBIHIRZQGN-GFCCVEGCSA-N 0 0 415.358 2.356 20 5 HEBDRN CCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000768413458 1080531518 /nfs/dbraw/zinc/53/15/18/1080531518.db2.gz XJGNPVNHNYIVDL-UHFFFAOYSA-N 0 0 412.431 2.317 20 5 HEBDRN CCOc1ccnc(N2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)n1 ZINC000768396195 1080540626 /nfs/dbraw/zinc/54/06/26/1080540626.db2.gz DYZHCIIDJFSWHO-UHFFFAOYSA-N 0 0 400.439 2.027 20 5 HEBDRN COC(=O)CCc1cccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000786265054 1080548336 /nfs/dbraw/zinc/54/83/36/1080548336.db2.gz UAGYQKYYQLUNRU-UHFFFAOYSA-N 0 0 414.418 2.138 20 5 HEBDRN CC(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)CC2)c(F)c1 ZINC000768433175 1080552425 /nfs/dbraw/zinc/55/24/25/1080552425.db2.gz XOVDQQNWQZETNU-UHFFFAOYSA-N 0 0 415.425 2.359 20 5 HEBDRN COc1cccc(-c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)n2N)c1 ZINC000768434478 1080554795 /nfs/dbraw/zinc/55/47/95/1080554795.db2.gz DTUZXLIRFOIBBW-UHFFFAOYSA-N 0 0 414.447 2.331 20 5 HEBDRN COC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000746579678 1080560068 /nfs/dbraw/zinc/56/00/68/1080560068.db2.gz IAGZMNOGIPNSMD-JKSUJKDBSA-N 0 0 415.421 2.461 20 5 HEBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000786336177 1080567419 /nfs/dbraw/zinc/56/74/19/1080567419.db2.gz BOTMRZMOUYUATK-UHFFFAOYSA-N 0 0 402.407 2.387 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1nc(-c2cccs2)cs1 ZINC000768461595 1080583024 /nfs/dbraw/zinc/58/30/24/1080583024.db2.gz FLAOXGHNGOVNGR-UHFFFAOYSA-N 0 0 407.389 2.488 20 5 HEBDRN O=c1[nH]c(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)nc2cc(C(F)(F)F)ccc12 ZINC000768463914 1080584172 /nfs/dbraw/zinc/58/41/72/1080584172.db2.gz NJGDYSQBXAVQKQ-UHFFFAOYSA-N 0 0 411.252 2.381 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@](C)(c2cccnc2Cl)C1=O ZINC000768464181 1080584246 /nfs/dbraw/zinc/58/42/46/1080584246.db2.gz UCPDKKJNMIDUMN-SFHVURJKSA-N 0 0 417.809 2.357 20 5 HEBDRN CCn1cc(N=c2scc(-c3cnn(C)c3)n2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000768502323 1080595796 /nfs/dbraw/zinc/59/57/96/1080595796.db2.gz NLXRDKYPKUJQDA-UHFFFAOYSA-N 0 0 413.467 2.204 20 5 HEBDRN COC(=O)c1ccc(C(=O)COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000768509053 1080597759 /nfs/dbraw/zinc/59/77/59/1080597759.db2.gz NFIPDRLJVCBBPF-UHFFFAOYSA-N 0 0 410.342 2.002 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000768539356 1080617806 /nfs/dbraw/zinc/61/78/06/1080617806.db2.gz HGYUTIJJIWESLM-MLGOLLRUSA-N 0 0 417.509 2.243 20 5 HEBDRN CS(=O)(=O)N1CCC[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000786479650 1080621032 /nfs/dbraw/zinc/62/10/32/1080621032.db2.gz OEDHYYXRMLUIOA-JTQLQIEISA-N 0 0 408.379 2.025 20 5 HEBDRN CS(=O)(=O)N1CCC[C@@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000786482507 1080624509 /nfs/dbraw/zinc/62/45/09/1080624509.db2.gz YFMWXTWQKNCLCY-SNVBAGLBSA-N 0 0 421.269 2.186 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000768579077 1080643307 /nfs/dbraw/zinc/64/33/07/1080643307.db2.gz KBUHHYZSPQFKFP-UHFFFAOYSA-N 0 0 404.444 2.122 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC1CCS(=O)(=O)CC1 ZINC000768547166 1080648847 /nfs/dbraw/zinc/64/88/47/1080648847.db2.gz JSJFSQFGVYICIA-UHFFFAOYSA-N 0 0 410.901 2.050 20 5 HEBDRN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000786584718 1080673752 /nfs/dbraw/zinc/67/37/52/1080673752.db2.gz PJAFZHFSOVSXRK-LLVKDONJSA-N 0 0 414.296 2.241 20 5 HEBDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000768608725 1080681807 /nfs/dbraw/zinc/68/18/07/1080681807.db2.gz WUAQSLPYWCSQOJ-UHFFFAOYSA-N 0 0 422.800 2.458 20 5 HEBDRN COC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC000768671461 1080708473 /nfs/dbraw/zinc/70/84/73/1080708473.db2.gz KNOMLVHNWOCRAP-UHFFFAOYSA-N 0 0 401.375 2.072 20 5 HEBDRN C[C@H](CN(C)S(C)(=O)=O)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000786614310 1080709303 /nfs/dbraw/zinc/70/93/03/1080709303.db2.gz LAULYXXKVNSCCS-ZIAGYGMSSA-N 0 0 413.496 2.268 20 5 HEBDRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)C2=O ZINC000768702519 1080717662 /nfs/dbraw/zinc/71/76/62/1080717662.db2.gz GEDIBUFWGAMRLD-HXUWFJFHSA-N 0 0 417.418 2.212 20 5 HEBDRN O=C(OCCc1cn(-c2ccc(F)cc2)nn1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000786627636 1080723367 /nfs/dbraw/zinc/72/33/67/1080723367.db2.gz LZLMJFFTNXOHKA-UHFFFAOYSA-N 0 0 414.349 2.485 20 5 HEBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000768723917 1080742356 /nfs/dbraw/zinc/74/23/56/1080742356.db2.gz NTCBCUHDQHNHLT-ZDUSSCGKSA-N 0 0 412.491 2.153 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000768731245 1080758503 /nfs/dbraw/zinc/75/85/03/1080758503.db2.gz ZIMVHPGRJLBRPY-UHFFFAOYSA-N 0 0 424.406 2.388 20 5 HEBDRN C[C@@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000768736221 1080760857 /nfs/dbraw/zinc/76/08/57/1080760857.db2.gz UOAPVUZGQBPTRF-GFCCVEGCSA-N 0 0 424.406 2.468 20 5 HEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000786703150 1080763046 /nfs/dbraw/zinc/76/30/46/1080763046.db2.gz HRFDBQMJYGSTCP-UHFFFAOYSA-N 0 0 418.353 2.270 20 5 HEBDRN Cn1cc(C[C@H](O)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cn1 ZINC000786712663 1080766985 /nfs/dbraw/zinc/76/69/85/1080766985.db2.gz ZDUFVKUSADPUPP-SFHVURJKSA-N 0 0 410.386 2.090 20 5 HEBDRN O=C(OC[C@@H]1CNC(c2ccccc2)=NO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000768801370 1080778234 /nfs/dbraw/zinc/77/82/34/1080778234.db2.gz DCMUNECQGJSHKB-INIZCTEOSA-N 0 0 407.386 2.288 20 5 HEBDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768803600 1080779829 /nfs/dbraw/zinc/77/98/29/1080779829.db2.gz LTAKBAOCHWSMEF-JTQLQIEISA-N 0 0 404.491 2.442 20 5 HEBDRN CCOC(=O)C1=C(COc2cc([N+](=O)[O-])ccc2Br)NC(=O)N[C@@H]1C ZINC000786744193 1080790318 /nfs/dbraw/zinc/79/03/18/1080790318.db2.gz MUVKIWJJOYHYNI-MRVPVSSYSA-N 0 0 414.212 2.255 20 5 HEBDRN O=C(OCc1nnnn1CC1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000768794038 1080801112 /nfs/dbraw/zinc/80/11/12/1080801112.db2.gz SXKVHUBUBSBPSZ-UHFFFAOYSA-N 0 0 415.328 2.384 20 5 HEBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)nc1 ZINC000768817434 1080810350 /nfs/dbraw/zinc/81/03/50/1080810350.db2.gz OQYIZKYOXGDNEY-GFCCVEGCSA-N 0 0 410.477 2.399 20 5 HEBDRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCCC1 ZINC000768833007 1080816580 /nfs/dbraw/zinc/81/65/80/1080816580.db2.gz IJRZPXPFAPAYGS-OAHLLOKOSA-N 0 0 409.489 2.168 20 5 HEBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCCN1C(=O)c2ccccc2C1=O ZINC000786784018 1080821253 /nfs/dbraw/zinc/82/12/53/1080821253.db2.gz ZOHQDMWREDAJFL-UHFFFAOYSA-N 0 0 421.365 2.361 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000768969772 1080869276 /nfs/dbraw/zinc/86/92/76/1080869276.db2.gz QYFRLVKNMRTDFO-GOSISDBHSA-N 0 0 421.450 2.447 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000768969774 1080869382 /nfs/dbraw/zinc/86/93/82/1080869382.db2.gz QYFRLVKNMRTDFO-SFHVURJKSA-N 0 0 421.450 2.447 20 5 HEBDRN Cc1ccc(CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000768989812 1080877789 /nfs/dbraw/zinc/87/77/89/1080877789.db2.gz BTDXRNMLIHCZJE-UHFFFAOYSA-N 0 0 406.483 2.414 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCn2c(Br)cnc2C1 ZINC000786909374 1080879381 /nfs/dbraw/zinc/87/93/81/1080879381.db2.gz MRDBPJPGEIEDIO-UHFFFAOYSA-N 0 0 401.242 2.067 20 5 HEBDRN 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C[C@@H](CC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccncc1 ZINC000769067615 1080923125 /nfs/dbraw/zinc/92/31/25/1080923125.db2.gz ORBLMIDGKNDUFK-INIZCTEOSA-N 0 0 412.446 2.375 20 5 HEBDRN O=C(NCc1ccc2ccccc2n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787006934 1080925144 /nfs/dbraw/zinc/92/51/44/1080925144.db2.gz PQLSONDCMBZCQN-UHFFFAOYSA-N 0 0 419.441 2.108 20 5 HEBDRN CCN1CCOC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000769074545 1080927023 /nfs/dbraw/zinc/92/70/23/1080927023.db2.gz FZGOETGPRKEYEU-IINYFYTJSA-N 0 0 419.356 2.205 20 5 HEBDRN O=C(COC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000769133630 1080951442 /nfs/dbraw/zinc/95/14/42/1080951442.db2.gz WRMTVZQRSZPSKG-VIFPVBQESA-N 0 0 419.171 2.352 20 5 HEBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000769135401 1080953204 /nfs/dbraw/zinc/95/32/04/1080953204.db2.gz PUBXMPSKHSCKKH-NSHDSACASA-N 0 0 403.366 2.206 20 5 HEBDRN 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COC(=O)C1(N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000769930283 1078662896 /nfs/dbraw/zinc/66/28/96/1078662896.db2.gz OOMAYBANGIXXAY-UHFFFAOYSA-N 0 0 421.269 2.464 20 5 HEBDRN CCNc1nc(C)c(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000770072082 1078709051 /nfs/dbraw/zinc/70/90/51/1078709051.db2.gz VALRXRBKIJSRQH-UHFFFAOYSA-N 0 0 408.392 2.316 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OCc3cccc4c[nH]nc43)cc2[N+](=O)[O-])CC1 ZINC000770136648 1078744146 /nfs/dbraw/zinc/74/41/46/1078744146.db2.gz AUSXCNIHXQTPNR-UHFFFAOYSA-N 0 0 423.429 2.497 20 5 HEBDRN COCCOc1ncccc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000770122829 1078739374 /nfs/dbraw/zinc/73/93/74/1078739374.db2.gz XMJSKWPRUICQSE-UHFFFAOYSA-N 0 0 416.434 2.483 20 5 HEBDRN CC(=O)N1CCN(c2ccc(C(=O)OC[C@@H]3CC34CCOCC4)cc2[N+](=O)[O-])CC1 ZINC000770149354 1078748357 /nfs/dbraw/zinc/74/83/57/1078748357.db2.gz NWKKREPJTKOGFN-KRWDZBQOSA-N 0 0 417.462 2.237 20 5 HEBDRN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 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IPSQVRZDOHTHPZ-UGSOOPFHSA-N 0 0 423.466 2.480 20 5 HEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000770457597 1078862668 /nfs/dbraw/zinc/86/26/68/1078862668.db2.gz OXXPZMWGZDMBKL-UHFFFAOYSA-N 0 0 423.179 2.017 20 5 HEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000770444052 1078856177 /nfs/dbraw/zinc/85/61/77/1078856177.db2.gz DEOCWWACRNDSEI-UHFFFAOYSA-N 0 0 401.872 2.190 20 5 HEBDRN O=C(OCCCn1nc2ccccn2c1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770474496 1078874251 /nfs/dbraw/zinc/87/42/51/1078874251.db2.gz ASDAXKPFADGOPL-UHFFFAOYSA-N 0 0 421.207 2.414 20 5 HEBDRN O=C(NN1CCCC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000770544601 1078891730 /nfs/dbraw/zinc/89/17/30/1078891730.db2.gz SIHZHMHUDCEXDQ-UHFFFAOYSA-N 0 0 400.357 2.484 20 5 HEBDRN CC(C)(C)C(=O)Cn1cc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000770622362 1078919618 /nfs/dbraw/zinc/91/96/18/1078919618.db2.gz FKOCTEKDPMICQD-ZIAGYGMSSA-N 0 0 404.427 2.339 20 5 HEBDRN COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000770629286 1078921695 /nfs/dbraw/zinc/92/16/95/1078921695.db2.gz YLQQNOSIDYRTQE-KRWDZBQOSA-N 0 0 405.407 2.296 20 5 HEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1 ZINC000746426099 1078923686 /nfs/dbraw/zinc/92/36/86/1078923686.db2.gz ZCUHLVUTWUIIDV-UHFFFAOYSA-N 0 0 420.491 2.099 20 5 HEBDRN COc1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1[N+](=O)[O-] ZINC000766401425 1078954230 /nfs/dbraw/zinc/95/42/30/1078954230.db2.gz XKHUEKCVLYVNIE-UHFFFAOYSA-N 0 0 404.810 2.445 20 5 HEBDRN COC(=O)Cn1cc([C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000770702147 1078969909 /nfs/dbraw/zinc/96/99/09/1078969909.db2.gz NTFXWDNJLSREPM-SNVBAGLBSA-N 0 0 417.403 2.401 20 5 HEBDRN CCC[C@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000766431473 1079001493 /nfs/dbraw/zinc/00/14/93/1079001493.db2.gz UHUOQWMJTRSJGW-ZDUSSCGKSA-N 0 0 410.427 2.227 20 5 HEBDRN O=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746454751 1079004352 /nfs/dbraw/zinc/00/43/52/1079004352.db2.gz XLXRZOFAOHFIJN-UHFFFAOYSA-N 0 0 418.837 2.350 20 5 HEBDRN COc1cccc([C@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000766502135 1079044000 /nfs/dbraw/zinc/04/40/00/1079044000.db2.gz LUGODDRNHAFFQR-MRXNPFEDSA-N 0 0 403.416 2.164 20 5 HEBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770887757 1079063112 /nfs/dbraw/zinc/06/31/12/1079063112.db2.gz DZFYFCVSLFFRNO-LLVKDONJSA-N 0 0 404.373 2.474 20 5 HEBDRN O=C1COc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2N1 ZINC000766540653 1079084096 /nfs/dbraw/zinc/08/40/96/1079084096.db2.gz ZGOMURVTKYWIER-UHFFFAOYSA-N 0 0 401.356 2.242 20 5 HEBDRN CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)c2ncc(C)o2)cc1[N+](=O)[O-] ZINC000770935377 1079085692 /nfs/dbraw/zinc/08/56/92/1079085692.db2.gz FXXAPFBLLOWTJS-JTQLQIEISA-N 0 0 415.449 2.196 20 5 HEBDRN 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O=C(Cc1noc(C2(O)CCCCC2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771085976 1079137226 /nfs/dbraw/zinc/13/72/26/1079137226.db2.gz BPNBXEPLFYVSPI-UHFFFAOYSA-N 0 0 415.450 2.021 20 5 HEBDRN COCCC[C@H](C)c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000771088318 1079145392 /nfs/dbraw/zinc/14/53/92/1079145392.db2.gz PCZVCCWXZCGFOD-HNNXBMFYSA-N 0 0 417.466 2.399 20 5 HEBDRN O=C(Cc1noc(-c2cccc(O)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771089598 1079145656 /nfs/dbraw/zinc/14/56/56/1079145656.db2.gz VBZLRUOXCLTQRQ-UHFFFAOYSA-N 0 0 409.402 2.242 20 5 HEBDRN C[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000771091191 1079147162 /nfs/dbraw/zinc/14/71/62/1079147162.db2.gz PAOKBWSKIBKGAL-SECBINFHSA-N 0 0 411.330 2.289 20 5 HEBDRN O=[N+]([O-])c1ccc(NC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](O)C(F)(F)F ZINC000771147221 1079161511 /nfs/dbraw/zinc/16/15/11/1079161511.db2.gz OIVAJQBYDARFOR-YUMQZZPRSA-N 0 0 422.238 2.173 20 5 HEBDRN 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C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NC[C@H]1CCCO1 ZINC000740423706 1076167714 /nfs/dbraw/zinc/16/77/14/1076167714.db2.gz UZWZPXQMAYSPAU-MWLCHTKSSA-N 0 0 401.213 2.198 20 5 HEBDRN COc1cc(CCNC(=O)NC[C@](C)(O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000740469665 1076184512 /nfs/dbraw/zinc/18/45/12/1076184512.db2.gz WIQCYRZYJPXMLE-SFHVURJKSA-N 0 0 409.464 2.423 20 5 HEBDRN CC1(C)CN=C(N2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)S1 ZINC000740714493 1076215112 /nfs/dbraw/zinc/21/51/12/1076215112.db2.gz YGLGBXZRBREUEK-UHFFFAOYSA-N 0 0 414.491 2.420 20 5 HEBDRN Cc1nnc(-c2ccc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2)o1 ZINC000740686852 1076224545 /nfs/dbraw/zinc/22/45/45/1076224545.db2.gz NIJNWOOKTUBZDS-UHFFFAOYSA-N 0 0 409.358 2.317 20 5 HEBDRN C[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)Cc2ccccc2C(=O)O1 ZINC000740790521 1076237918 /nfs/dbraw/zinc/23/79/18/1076237918.db2.gz LUFQUFIZHWOWKS-JOCHJYFZSA-N 0 0 423.425 2.051 20 5 HEBDRN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740790174 1076238340 /nfs/dbraw/zinc/23/83/40/1076238340.db2.gz BTMHYXNXGXGSAY-HMMYKYKNSA-N 0 0 422.441 2.056 20 5 HEBDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740843563 1076264958 /nfs/dbraw/zinc/26/49/58/1076264958.db2.gz GCMPNDPPSFZOKJ-UHFFFAOYSA-N 0 0 420.466 2.183 20 5 HEBDRN C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000740843747 1076265397 /nfs/dbraw/zinc/26/53/97/1076265397.db2.gz YKMASNGYMKLXNO-ZIAGYGMSSA-N 0 0 422.459 2.499 20 5 HEBDRN O=Cc1ccc(OCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000740843953 1076265675 /nfs/dbraw/zinc/26/56/75/1076265675.db2.gz LYGCXHOJMLHQJU-UHFFFAOYSA-N 0 0 411.414 2.161 20 5 HEBDRN Cc1nn(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c2ccccc12 ZINC000740862590 1076273500 /nfs/dbraw/zinc/27/35/00/1076273500.db2.gz YIBCFGGCBBEFSX-UHFFFAOYSA-N 0 0 407.430 2.029 20 5 HEBDRN CCOC(=O)c1nnc2ccccc2c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000740865652 1076274357 /nfs/dbraw/zinc/27/43/57/1076274357.db2.gz IHUODVWDSILOBC-UHFFFAOYSA-N 0 0 408.418 2.436 20 5 HEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000740869935 1076276405 /nfs/dbraw/zinc/27/64/05/1076276405.db2.gz FCTZDAHOLLCDBT-ZMZPIMSZSA-N 0 0 407.448 2.267 20 5 HEBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000740890769 1076291487 /nfs/dbraw/zinc/29/14/87/1076291487.db2.gz MYJIHLSEQSHIIV-UHFFFAOYSA-N 0 0 422.371 2.106 20 5 HEBDRN O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](O)CCc1ccccc1 ZINC000741003510 1076325239 /nfs/dbraw/zinc/32/52/39/1076325239.db2.gz FABQVOMPMZQFRO-KRWDZBQOSA-N 0 0 400.387 2.430 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](O)CCc1ccccc1 ZINC000741005579 1076325831 /nfs/dbraw/zinc/32/58/31/1076325831.db2.gz VHFFMHJSINOIHX-CXAGYDPISA-N 0 0 402.403 2.467 20 5 HEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](O)CCc1ccccc1 ZINC000741005582 1076325886 /nfs/dbraw/zinc/32/58/86/1076325886.db2.gz VHFFMHJSINOIHX-SUMWQHHRSA-N 0 0 402.403 2.467 20 5 HEBDRN COC(=O)CCCCCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741078864 1076355833 /nfs/dbraw/zinc/35/58/33/1076355833.db2.gz SAKWLLTUJBFNJJ-UHFFFAOYSA-N 0 0 420.466 2.186 20 5 HEBDRN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741097240 1076368883 /nfs/dbraw/zinc/36/88/83/1076368883.db2.gz CNSBEDVPDGDBKM-SWLSCSKDSA-N 0 0 406.439 2.295 20 5 HEBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000741226408 1076422661 /nfs/dbraw/zinc/42/26/61/1076422661.db2.gz AMGWMAWWODHFLT-CYBMUJFWSA-N 0 0 407.423 2.399 20 5 HEBDRN COC(=O)c1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000741235133 1076429348 /nfs/dbraw/zinc/42/93/48/1076429348.db2.gz PAGIORRXKYMFCK-HNNXBMFYSA-N 0 0 407.423 2.415 20 5 HEBDRN COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000741259629 1076447047 /nfs/dbraw/zinc/44/70/47/1076447047.db2.gz OKEIVOAKTITXQW-ZDUSSCGKSA-N 0 0 415.468 2.185 20 5 HEBDRN CC1(C)[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000741258391 1076447062 /nfs/dbraw/zinc/44/70/62/1076447062.db2.gz AFNNTBMHEAGVRK-ZWKOPEQDSA-N 0 0 405.270 2.449 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000741293122 1076460550 /nfs/dbraw/zinc/46/05/50/1076460550.db2.gz STJVYSJXVFBVNJ-AWEZNQCLSA-N 0 0 416.814 2.254 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000741359178 1076484281 /nfs/dbraw/zinc/48/42/81/1076484281.db2.gz ORVJYKWUVLMKBK-ZDUSSCGKSA-N 0 0 424.429 2.293 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000741360692 1076484819 /nfs/dbraw/zinc/48/48/19/1076484819.db2.gz XVDYYHUTWLOWIV-AWEZNQCLSA-N 0 0 406.439 2.154 20 5 HEBDRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000741378065 1076504072 /nfs/dbraw/zinc/50/40/72/1076504072.db2.gz XPNIHNJGUPCVLW-AWEZNQCLSA-N 0 0 420.466 2.205 20 5 HEBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741382218 1076505887 /nfs/dbraw/zinc/50/58/87/1076505887.db2.gz HFYUOGMFIZDJTN-LJQANCHMSA-N 0 0 414.414 2.406 20 5 HEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741382288 1076507356 /nfs/dbraw/zinc/50/73/56/1076507356.db2.gz NWEYCRWOCHIJCO-SFHVURJKSA-N 0 0 413.430 2.286 20 5 HEBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000741437781 1076528340 /nfs/dbraw/zinc/52/83/40/1076528340.db2.gz KNMZIFIQXBRFBY-AWEZNQCLSA-N 0 0 406.439 2.261 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741441357 1076530900 /nfs/dbraw/zinc/53/09/00/1076530900.db2.gz WHJRJFIPFJFHBG-OAHLLOKOSA-N 0 0 406.439 2.261 20 5 HEBDRN O=C(c1cc(N2CCOC2=O)ccc1F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000741532090 1076542110 /nfs/dbraw/zinc/54/21/10/1076542110.db2.gz AMYWLHXLWBQMBR-UHFFFAOYSA-N 0 0 415.381 2.048 20 5 HEBDRN Cc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000741619675 1076558385 /nfs/dbraw/zinc/55/83/85/1076558385.db2.gz QKTUNSKYBISXGK-INIZCTEOSA-N 0 0 406.402 2.019 20 5 HEBDRN CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000766272445 1076563480 /nfs/dbraw/zinc/56/34/80/1076563480.db2.gz XOIIUCHUCDNEHK-AWEZNQCLSA-N 0 0 410.496 2.066 20 5 HEBDRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cn(C)nn2)NC(=S)N1C1CC1 ZINC000741655320 1076577794 /nfs/dbraw/zinc/57/77/94/1076577794.db2.gz PUMVANWMPAFULU-INIZCTEOSA-N 0 0 413.463 2.030 20 5 HEBDRN COC(=O)c1cc([N+](=O)[O-])c(NCCCn2nc3n(c2=O)CCCC3)cc1Cl ZINC000741751494 1076618648 /nfs/dbraw/zinc/61/86/48/1076618648.db2.gz YRIFQCBGBPMMQO-UHFFFAOYSA-N 0 0 409.830 2.232 20 5 HEBDRN C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN1C(=O)OC(C)(C)C ZINC000741800073 1076641017 /nfs/dbraw/zinc/64/10/17/1076641017.db2.gz VUIVUIPFMTVJMQ-CQSZACIVSA-N 0 0 404.467 2.425 20 5 HEBDRN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000741831836 1076650004 /nfs/dbraw/zinc/65/00/04/1076650004.db2.gz KOXIGRDEZXJHON-SNVBAGLBSA-N 0 0 422.467 2.120 20 5 HEBDRN CN(CCCC(=O)Oc1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 ZINC000741881425 1076663512 /nfs/dbraw/zinc/66/35/12/1076663512.db2.gz RNYJYLWZYPILRZ-UHFFFAOYSA-N 0 0 403.416 2.361 20 5 HEBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000741965888 1076687302 /nfs/dbraw/zinc/68/73/02/1076687302.db2.gz VBCQORFISBQWIA-SMDDNHRTSA-N 0 0 417.441 2.185 20 5 HEBDRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000742007821 1076714420 /nfs/dbraw/zinc/71/44/20/1076714420.db2.gz RHMIKSBKBYGCIM-LJQANCHMSA-N 0 0 410.430 2.452 20 5 HEBDRN COc1cccc(/C=C(/C(=O)NCCc2ccccc2[N+](=O)[O-])n2nnnc2C)c1 ZINC000742007392 1076714745 /nfs/dbraw/zinc/71/47/45/1076714745.db2.gz IMMZNDPYURVPIX-UYRXBGFRSA-N 0 0 408.418 2.255 20 5 HEBDRN CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])ccc1F ZINC000742008137 1076716085 /nfs/dbraw/zinc/71/60/85/1076716085.db2.gz YETSTBUATWUOJR-UHFFFAOYSA-N 0 0 409.439 2.393 20 5 HEBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C(=O)OC(C)(C)C ZINC000742080956 1076737703 /nfs/dbraw/zinc/73/77/03/1076737703.db2.gz CODWUXSIWYEUSY-LBPRGKRZSA-N 0 0 407.423 2.447 20 5 HEBDRN COC(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742084993 1076740560 /nfs/dbraw/zinc/74/05/60/1076740560.db2.gz HNGKBWSNSJGSMP-LBPRGKRZSA-N 0 0 407.423 2.463 20 5 HEBDRN COCCCOC1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000742152949 1076767957 /nfs/dbraw/zinc/76/79/57/1076767957.db2.gz NQJRXMSCLDJJNF-UHFFFAOYSA-N 0 0 402.451 2.294 20 5 HEBDRN C[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C(=O)OC(C)(C)C ZINC000742158878 1076770985 /nfs/dbraw/zinc/77/09/85/1076770985.db2.gz KFAGORXYQHDMMP-GFCCVEGCSA-N 0 0 404.423 2.090 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000742246045 1076805067 /nfs/dbraw/zinc/80/50/67/1076805067.db2.gz DUPNKSBEOOPCFN-CQSZACIVSA-N 0 0 402.411 2.423 20 5 HEBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000742250173 1076806593 /nfs/dbraw/zinc/80/65/93/1076806593.db2.gz JALJAQZWDSMQHK-CQSZACIVSA-N 0 0 404.427 2.099 20 5 HEBDRN CN(CC(=O)NCc1ccco1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742270706 1076806959 /nfs/dbraw/zinc/80/69/59/1076806959.db2.gz JXVAXYCUNVGVQE-UHFFFAOYSA-N 0 0 422.246 2.432 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCc2cn3ccccc3n2)c1 ZINC000742271639 1076807127 /nfs/dbraw/zinc/80/71/27/1076807127.db2.gz LAKZHOWUIMTOAC-UHFFFAOYSA-N 0 0 411.237 2.484 20 5 HEBDRN COC(=O)c1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c(Br)c1 ZINC000742268602 1076811719 /nfs/dbraw/zinc/81/17/19/1076811719.db2.gz ULOJQLHAFSGZFJ-UHFFFAOYSA-N 0 0 417.193 2.307 20 5 HEBDRN CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742307001 1076813479 /nfs/dbraw/zinc/81/34/79/1076813479.db2.gz YUNNSAQTJBLSAQ-AAEUAGOBSA-N 0 0 410.901 2.225 20 5 HEBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1 ZINC000742288485 1076817610 /nfs/dbraw/zinc/81/76/10/1076817610.db2.gz XAFUUPBNMSFOFJ-SNVBAGLBSA-N 0 0 421.269 2.131 20 5 HEBDRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000742292988 1076819150 /nfs/dbraw/zinc/81/91/50/1076819150.db2.gz GHLHXAXJUKEMPK-LBPRGKRZSA-N 0 0 414.484 2.304 20 5 HEBDRN COC(=O)[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC(C)C ZINC000742309341 1076819264 /nfs/dbraw/zinc/81/92/64/1076819264.db2.gz QDAZXNJLUVICMA-SNVBAGLBSA-N 0 0 423.285 2.471 20 5 HEBDRN COC(=O)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000742296241 1076821322 /nfs/dbraw/zinc/82/13/22/1076821322.db2.gz CRAKHWFGVFZSKD-UHFFFAOYSA-N 0 0 419.209 2.215 20 5 HEBDRN O=C1NCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000742339186 1076826392 /nfs/dbraw/zinc/82/63/92/1076826392.db2.gz MZFWDHOYDDRMJL-ZDUSSCGKSA-N 0 0 401.853 2.172 20 5 HEBDRN COCCOC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742338666 1076826461 /nfs/dbraw/zinc/82/64/61/1076826461.db2.gz PFFHOKDCVARNJO-NSHDSACASA-N 0 0 423.285 2.031 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742355411 1076829861 /nfs/dbraw/zinc/82/98/61/1076829861.db2.gz AKGKZGDHMXDLGW-UHFFFAOYSA-N 0 0 420.466 2.055 20 5 HEBDRN O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742341342 1076831129 /nfs/dbraw/zinc/83/11/29/1076831129.db2.gz IMBILJXPAWFDHN-UHFFFAOYSA-N 0 0 408.392 2.130 20 5 HEBDRN COc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000742389514 1076833144 /nfs/dbraw/zinc/83/31/44/1076833144.db2.gz 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407.370 2.310 20 5 HEBDRN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1nnc(-c2ccccc2)n1 ZINC000742474003 1076842650 /nfs/dbraw/zinc/84/26/50/1076842650.db2.gz QCCYCKLZCKWWQL-OAHLLOKOSA-N 0 0 407.434 2.158 20 5 HEBDRN O=[N+]([O-])c1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 ZINC000742564405 1076849671 /nfs/dbraw/zinc/84/96/71/1076849671.db2.gz IHZRKQNVJHQPFI-UHFFFAOYSA-N 0 0 422.419 2.136 20 5 HEBDRN CN(CC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000742603036 1076855321 /nfs/dbraw/zinc/85/53/21/1076855321.db2.gz CFMSHTWFKISNBK-UHFFFAOYSA-N 0 0 411.462 2.371 20 5 HEBDRN CCCn1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000742721341 1076869668 /nfs/dbraw/zinc/86/96/68/1076869668.db2.gz HAZUPTGFRLSNFD-AWEZNQCLSA-N 0 0 421.479 2.241 20 5 HEBDRN Cc1c(C(=O)Nc2cccc(Cl)c2C(N)=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000742832753 1076887723 /nfs/dbraw/zinc/88/77/23/1076887723.db2.gz ABORUTPKJHYMBE-UHFFFAOYSA-N 0 0 400.782 2.489 20 5 HEBDRN CCc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)n1 ZINC000742910794 1076891099 /nfs/dbraw/zinc/89/10/99/1076891099.db2.gz LMBFOGPKLFWZTF-UHFFFAOYSA-N 0 0 420.451 2.496 20 5 HEBDRN CCc1ccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cc1 ZINC000742905221 1076895741 /nfs/dbraw/zinc/89/57/41/1076895741.db2.gz TXNDZOJPUWDRRS-UHFFFAOYSA-N 0 0 422.441 2.102 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000742998312 1076917271 /nfs/dbraw/zinc/91/72/71/1076917271.db2.gz QAGNNAYOGMWRNO-UHFFFAOYSA-N 0 0 406.416 2.339 20 5 HEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccncc2N2CCCC2)CC1 ZINC001129327497 1076986193 /nfs/dbraw/zinc/98/61/93/1076986193.db2.gz RUFIGGFMXCJECS-UHFFFAOYSA-N 0 0 409.446 2.188 20 5 HEBDRN CC(C)OC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000766297602 1077006947 /nfs/dbraw/zinc/00/69/47/1077006947.db2.gz GMPUDVWLMMXCJQ-CQSZACIVSA-N 0 0 418.381 2.267 20 5 HEBDRN CN(C[C@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)OC(C)(C)C ZINC000743393563 1077041254 /nfs/dbraw/zinc/04/12/54/1077041254.db2.gz VDIQGXOMSDBRAS-CQSZACIVSA-N 0 0 418.450 2.480 20 5 HEBDRN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000737502381 1077048335 /nfs/dbraw/zinc/04/83/35/1077048335.db2.gz WCZBUDPWOAPURY-GFCCVEGCSA-N 0 0 423.403 2.428 20 5 HEBDRN C[C@H](Sc1nnc([C@H]2CCCCO2)n1N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000743455531 1077052637 /nfs/dbraw/zinc/05/26/37/1077052637.db2.gz BEOQVIHKSLGBKG-TVQRCGJNSA-N 0 0 410.431 2.400 20 5 HEBDRN CC(C)[C@](C)(O)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000743712975 1077094892 /nfs/dbraw/zinc/09/48/92/1077094892.db2.gz GWXHUHJLMHKYGK-LJQANCHMSA-N 0 0 422.459 2.499 20 5 HEBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCOc2cc(F)ccc21 ZINC000766302589 1077095737 /nfs/dbraw/zinc/09/57/37/1077095737.db2.gz VWGQJGHHYOCVNQ-INIZCTEOSA-N 0 0 424.406 2.469 20 5 HEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cccc(Cl)n2)CC1 ZINC000743839636 1077140060 /nfs/dbraw/zinc/14/00/60/1077140060.db2.gz PGWCEIDXXAWBEC-UHFFFAOYSA-N 0 0 410.883 2.458 20 5 HEBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCCCNC(N)=O ZINC000744001450 1077288567 /nfs/dbraw/zinc/28/85/67/1077288567.db2.gz LIVDARVPMDNUKL-UHFFFAOYSA-N 0 0 404.427 2.220 20 5 HEBDRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2cc(C3CC3)n(C)n2)c([N+](=O)[O-])c1 ZINC000744031534 1077299365 /nfs/dbraw/zinc/29/93/65/1077299365.db2.gz MKKQWSGUQDMGQY-UHFFFAOYSA-N 0 0 422.463 2.455 20 5 HEBDRN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000744074106 1077313161 /nfs/dbraw/zinc/31/31/61/1077313161.db2.gz HCCJIUSVKPPEJZ-UHFFFAOYSA-N 0 0 400.322 2.236 20 5 HEBDRN CNC(=O)c1cccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000744117359 1077323179 /nfs/dbraw/zinc/32/31/79/1077323179.db2.gz RLCUNILGYNQUOO-INIZCTEOSA-N 0 0 411.414 2.416 20 5 HEBDRN NC(=O)c1ccc(NCCOC(=O)c2cnc(-c3ccccc3)nc2)c([N+](=O)[O-])c1 ZINC000744149396 1077331534 /nfs/dbraw/zinc/33/15/34/1077331534.db2.gz CNEDBGCPIONSEY-UHFFFAOYSA-N 0 0 407.386 2.420 20 5 HEBDRN COc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000744239117 1077347671 /nfs/dbraw/zinc/34/76/71/1077347671.db2.gz ZBRHZIBKGKUJJI-UHFFFAOYSA-N 0 0 415.468 2.281 20 5 HEBDRN CCOC(=O)COc1ccc(OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000744273089 1077349380 /nfs/dbraw/zinc/34/93/80/1077349380.db2.gz OMCANOLAFNNNLO-UHFFFAOYSA-N 0 0 412.358 2.337 20 5 HEBDRN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](CCO)c1ccccc1 ZINC000744411757 1077384294 /nfs/dbraw/zinc/38/42/94/1077384294.db2.gz IYAXIPJSZYIUQL-NRFANRHFSA-N 0 0 412.490 2.299 20 5 HEBDRN Cc1cc(N2CC[C@H](OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000744490505 1077401945 /nfs/dbraw/zinc/40/19/45/1077401945.db2.gz ATEKQMINUPSYTB-KRWDZBQOSA-N 0 0 413.434 2.199 20 5 HEBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1nnc(-c2cccc(F)c2)o1 ZINC000744468627 1077405009 /nfs/dbraw/zinc/40/50/09/1077405009.db2.gz KTVAUBAHWRSXKI-UHFFFAOYSA-N 0 0 400.322 2.257 20 5 HEBDRN COc1ccc(OCCOC(=O)Cn2nc(-c3ccccc3)oc2=O)c([N+](=O)[O-])c1 ZINC000744509166 1077425714 /nfs/dbraw/zinc/42/57/14/1077425714.db2.gz HELHDQXWLAXLQR-UHFFFAOYSA-N 0 0 415.358 2.042 20 5 HEBDRN Cc1cc(NC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n(C(C)(C)C)n1 ZINC000744511956 1077428997 /nfs/dbraw/zinc/42/89/97/1077428997.db2.gz INWZZKPPRSELBK-UHFFFAOYSA-N 0 0 404.379 2.379 20 5 HEBDRN CCOc1cc(C(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])cc1OC ZINC000744517833 1077434994 /nfs/dbraw/zinc/43/49/94/1077434994.db2.gz DXJYGPGFIZIWJE-CQSZACIVSA-N 0 0 418.406 2.006 20 5 HEBDRN CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000744562763 1077472835 /nfs/dbraw/zinc/47/28/35/1077472835.db2.gz SAIOALGNABXKKR-ZDUSSCGKSA-N 0 0 406.439 2.222 20 5 HEBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)NC(=O)NC(C)(C)C ZINC000744562839 1077472920 /nfs/dbraw/zinc/47/29/20/1077472920.db2.gz VDUDOCXQOMGJCA-LBPRGKRZSA-N 0 0 406.439 2.365 20 5 HEBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CC(=O)Nc2cnccc21 ZINC000744614573 1077503397 /nfs/dbraw/zinc/50/33/97/1077503397.db2.gz QMEPFMYHYAXWLB-UHFFFAOYSA-N 0 0 424.154 2.193 20 5 HEBDRN COC(=O)c1cccc(-c2nc(COC(=O)Cn3cc([N+](=O)[O-])cn3)cs2)c1 ZINC000744663854 1077531438 /nfs/dbraw/zinc/53/14/38/1077531438.db2.gz PSDOKZJXULSWRE-UHFFFAOYSA-N 0 0 402.388 2.445 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(=O)N1CCc2ccccc2C1)C(C)C ZINC000744652006 1077538976 /nfs/dbraw/zinc/53/89/76/1077538976.db2.gz RPQUFJFKBBJNSC-LJQANCHMSA-N 0 0 400.435 2.252 20 5 HEBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000744721193 1077555069 /nfs/dbraw/zinc/55/50/69/1077555069.db2.gz AKKDCFXLZQFGTC-HNNXBMFYSA-N 0 0 402.407 2.144 20 5 HEBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744733763 1077560597 /nfs/dbraw/zinc/56/05/97/1077560597.db2.gz HHDRGOPMEAUTNS-CYBMUJFWSA-N 0 0 424.417 2.165 20 5 HEBDRN CCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnc2ncnn21 ZINC000744706342 1077560962 /nfs/dbraw/zinc/56/09/62/1077560962.db2.gz JWIJLYVKKRXTJA-VIFPVBQESA-N 0 0 418.797 2.432 20 5 HEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744800029 1077597986 /nfs/dbraw/zinc/59/79/86/1077597986.db2.gz SBKBIXONDDQFBS-ZDUSSCGKSA-N 0 0 410.333 2.132 20 5 HEBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)Nc1ccnn1CC1CCCCC1 ZINC000744870833 1077630048 /nfs/dbraw/zinc/63/00/48/1077630048.db2.gz GQFQTKSZZSJOSD-UHFFFAOYSA-N 0 0 418.454 2.449 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000744901168 1077643384 /nfs/dbraw/zinc/64/33/84/1077643384.db2.gz RRKGIRXPVWYJQS-IUODEOHRSA-N 0 0 407.423 2.121 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000744901169 1077643467 /nfs/dbraw/zinc/64/34/67/1077643467.db2.gz RRKGIRXPVWYJQS-SWLSCSKDSA-N 0 0 407.423 2.121 20 5 HEBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000744923886 1077654146 /nfs/dbraw/zinc/65/41/46/1077654146.db2.gz AREUFRIVPLHTMH-LLVKDONJSA-N 0 0 406.395 2.114 20 5 HEBDRN CCCCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744928347 1077655435 /nfs/dbraw/zinc/65/54/35/1077655435.db2.gz ULRDPUSOGCKNNH-RHSMWYFYSA-N 0 0 405.451 2.356 20 5 HEBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000744928075 1077655844 /nfs/dbraw/zinc/65/58/44/1077655844.db2.gz RMYANHAYVZWHCV-XJKSGUPXSA-N 0 0 405.451 2.354 20 5 HEBDRN COc1ccc(CC(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1[N+](=O)[O-] ZINC000744943925 1077671259 /nfs/dbraw/zinc/67/12/59/1077671259.db2.gz KTYICORWGDKVEY-MRXNPFEDSA-N 0 0 408.407 2.268 20 5 HEBDRN C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744974598 1077687777 /nfs/dbraw/zinc/68/77/77/1077687777.db2.gz SLUYSDCUOPAFSL-BXUZGUMPSA-N 0 0 409.464 2.413 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744976615 1077689110 /nfs/dbraw/zinc/68/91/10/1077689110.db2.gz WRLHNXVQFGKMCN-SMDDNHRTSA-N 0 0 409.464 2.413 20 5 HEBDRN COC(=O)[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1F ZINC000744996909 1077700714 /nfs/dbraw/zinc/70/07/14/1077700714.db2.gz ARDPQVSLFNJSNG-INIZCTEOSA-N 0 0 400.322 2.386 20 5 HEBDRN CC(C)N(C(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000745026241 1077709262 /nfs/dbraw/zinc/70/92/62/1077709262.db2.gz BNWJNSXWIZUUFO-KGLIPLIRSA-N 0 0 409.439 2.370 20 5 HEBDRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CCC(C)CC1 ZINC000745030358 1077711103 /nfs/dbraw/zinc/71/11/03/1077711103.db2.gz UHAWNODVJNZHDF-SHWKFHJASA-N 0 0 421.450 2.419 20 5 HEBDRN Cc1cc(N2CC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)n(C)n1 ZINC000745074660 1077720296 /nfs/dbraw/zinc/72/02/96/1077720296.db2.gz UZDHPEHWXDEWBA-CYBMUJFWSA-N 0 0 423.223 2.362 20 5 HEBDRN Nc1ccccc1-n1ccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000745060498 1077722736 /nfs/dbraw/zinc/72/27/36/1077722736.db2.gz OYTBEENCLWUTCD-UHFFFAOYSA-N 0 0 407.386 2.109 20 5 HEBDRN COCCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000745090071 1077726526 /nfs/dbraw/zinc/72/65/26/1077726526.db2.gz FPWCWKMRXUKMNQ-SNVBAGLBSA-N 0 0 407.320 2.124 20 5 HEBDRN C[C@@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766324036 1077729482 /nfs/dbraw/zinc/72/94/82/1077729482.db2.gz CNEFMEXUEVDFQF-OAHLLOKOSA-N 0 0 413.434 2.118 20 5 HEBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@](C)(O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000745147922 1077757914 /nfs/dbraw/zinc/75/79/14/1077757914.db2.gz RXNGQGFSBSFWEN-RNODOKPDSA-N 0 0 402.403 2.467 20 5 HEBDRN C[C@@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000766325975 1077762164 /nfs/dbraw/zinc/76/21/64/1077762164.db2.gz OBECWRWKXRPQDZ-OAHLLOKOSA-N 0 0 413.434 2.118 20 5 HEBDRN CN(c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000766326650 1077771087 /nfs/dbraw/zinc/77/10/87/1077771087.db2.gz MPIKTSPBAYDVII-UHFFFAOYSA-N 0 0 404.853 2.477 20 5 HEBDRN CCc1nc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])nn1-c1ccccc1F ZINC000745239227 1077785910 /nfs/dbraw/zinc/78/59/10/1077785910.db2.gz LOZKQRYMZNCQOD-UHFFFAOYSA-N 0 0 413.365 2.333 20 5 HEBDRN CN(CCCC(=O)OCc1ccccc1[N+](=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000745308252 1077803166 /nfs/dbraw/zinc/80/31/66/1077803166.db2.gz RPNMSLOUKGFJHU-UHFFFAOYSA-N 0 0 417.443 2.499 20 5 HEBDRN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000745331590 1077805009 /nfs/dbraw/zinc/80/50/09/1077805009.db2.gz AGGAOLJCPIKUNT-UHFFFAOYSA-N 0 0 419.821 2.431 20 5 HEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000745334421 1077805479 /nfs/dbraw/zinc/80/54/79/1077805479.db2.gz SZCRPLNRWMWPLZ-PBHICJAKSA-N 0 0 414.414 2.367 20 5 HEBDRN CN(c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000766328301 1077812390 /nfs/dbraw/zinc/81/23/90/1077812390.db2.gz XKMFPGQKZWCBGP-UHFFFAOYSA-N 0 0 404.853 2.477 20 5 HEBDRN COc1ccc(NC(=O)COC(=O)c2ccc(-n3cncn3)c(C)c2)c([N+](=O)[O-])c1 ZINC000745412190 1077820102 /nfs/dbraw/zinc/82/01/02/1077820102.db2.gz REIHOEMDGPTCAJ-UHFFFAOYSA-N 0 0 411.374 2.288 20 5 HEBDRN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766933631 1079512554 /nfs/dbraw/zinc/51/25/54/1079512554.db2.gz UWVGJYFIWMHSIQ-CQSZACIVSA-N 0 0 423.385 2.132 20 5 HEBDRN O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC(CO)CC1 ZINC000771759744 1079514674 /nfs/dbraw/zinc/51/46/74/1079514674.db2.gz YJDNWQIFLRSAHO-UHFFFAOYSA-N 0 0 420.443 2.207 20 5 HEBDRN 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CC(C)CN1C[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCN2C1=O ZINC000785876611 1080271735 /nfs/dbraw/zinc/27/17/35/1080271735.db2.gz IJCIVUGEMMATTK-CQSZACIVSA-N 0 0 409.874 2.265 20 5 HEBDRN CC(C)CN1C[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCN2C1=O ZINC000785877423 1080272664 /nfs/dbraw/zinc/27/26/64/1080272664.db2.gz PMQNAHZDELEJGC-HNNXBMFYSA-N 0 0 407.446 2.140 20 5 HEBDRN NS(=O)(=O)c1ccccc1N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000785843763 1080278195 /nfs/dbraw/zinc/27/81/95/1080278195.db2.gz JGWUPINFXWXWJY-UHFFFAOYSA-N 0 0 419.488 2.179 20 5 HEBDRN CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1F ZINC000785868955 1080290049 /nfs/dbraw/zinc/29/00/49/1080290049.db2.gz VESZSRJMRJMEFD-UHFFFAOYSA-N 0 0 407.423 2.100 20 5 HEBDRN O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1Cc2ccccc2O1 ZINC000785948609 1080311277 /nfs/dbraw/zinc/31/12/77/1080311277.db2.gz KXRFMGLMKYCTOK-OAHLLOKOSA-N 0 0 404.806 2.454 20 5 HEBDRN CS(=O)(=O)c1cccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000785998470 1080356993 /nfs/dbraw/zinc/35/69/93/1080356993.db2.gz GBKZVGAEGZJHDK-UHFFFAOYSA-N 0 0 418.475 2.314 20 5 HEBDRN O=C(C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000768193636 1080408620 /nfs/dbraw/zinc/40/86/20/1080408620.db2.gz HGWFIXODISDROO-UHFFFAOYSA-N 0 0 412.284 2.428 20 5 HEBDRN Cc1c(C(=O)NCc2cnc(N3CCOCC3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000786151441 1080426158 /nfs/dbraw/zinc/42/61/58/1080426158.db2.gz OSPNYCUJGSZOBA-UHFFFAOYSA-N 0 0 421.435 2.343 20 5 HEBDRN CC[C@H](C)NC(=O)CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768251629 1080441199 /nfs/dbraw/zinc/44/11/99/1080441199.db2.gz RNXAZGAXKDJOAX-ZDUSSCGKSA-N 0 0 413.316 2.390 20 5 HEBDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786128388 1080448438 /nfs/dbraw/zinc/44/84/38/1080448438.db2.gz LDSGEXPSHUBXPM-SCLBCKFNSA-N 0 0 424.417 2.244 20 5 HEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000768309356 1080478370 /nfs/dbraw/zinc/47/83/70/1080478370.db2.gz ABNUVDKSSJWUPT-LSDHHAIUSA-N 0 0 421.475 2.198 20 5 HEBDRN C[C@H](OC(=O)[C@H]1CCC(=O)N1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000786179421 1080481048 /nfs/dbraw/zinc/48/10/48/1080481048.db2.gz WKVNMIALYPMWDR-IINYFYTJSA-N 0 0 418.431 2.209 20 5 HEBDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000786234878 1080511376 /nfs/dbraw/zinc/51/13/76/1080511376.db2.gz WWTXIVRYKHWHHC-UHFFFAOYSA-N 0 0 412.493 2.265 20 5 HEBDRN NS(=O)(=O)c1ccc(NCC(=O)OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000786285340 1080531273 /nfs/dbraw/zinc/53/12/73/1080531273.db2.gz FFPIDQVZEPSDTJ-UHFFFAOYSA-N 0 0 417.802 2.190 20 5 HEBDRN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000768432301 1080552416 /nfs/dbraw/zinc/55/24/16/1080552416.db2.gz MRMAGFLQDRCDDH-UHFFFAOYSA-N 0 0 410.427 2.358 20 5 HEBDRN Cc1ccc(-c2cc(-c3nnc(SCCn4cc([N+](=O)[O-])cn4)n3N)n[nH]2)cc1 ZINC000768450652 1080567865 /nfs/dbraw/zinc/56/78/65/1080567865.db2.gz GHSDTDIMUMHTOE-UHFFFAOYSA-N 0 0 411.451 2.254 20 5 HEBDRN CC(=O)[C@@H](Cc1ccccc1F)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000768419818 1080572966 /nfs/dbraw/zinc/57/29/66/1080572966.db2.gz DLBBTAKGCZLPJP-GOSISDBHSA-N 0 0 416.361 2.203 20 5 HEBDRN Nn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000768419498 1080573432 /nfs/dbraw/zinc/57/34/32/1080573432.db2.gz XUGXXULNDKMYCW-UHFFFAOYSA-N 0 0 415.414 2.085 20 5 HEBDRN Cc1c(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000786374884 1080576281 /nfs/dbraw/zinc/57/62/81/1080576281.db2.gz CCDMSMFUZARSRY-UHFFFAOYSA-N 0 0 424.457 2.072 20 5 HEBDRN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000768461025 1080582201 /nfs/dbraw/zinc/58/22/01/1080582201.db2.gz UKXNMNZZAGLSGE-UHFFFAOYSA-N 0 0 411.168 2.374 20 5 HEBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000768463234 1080583374 /nfs/dbraw/zinc/58/33/74/1080583374.db2.gz HUVGWEACKIQMFT-UHFFFAOYSA-N 0 0 400.391 2.146 20 5 HEBDRN CSc1cc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)ccc1NC(C)=O ZINC000768463210 1080583384 /nfs/dbraw/zinc/58/33/84/1080583384.db2.gz HNMOSQDWTRXBJX-UHFFFAOYSA-N 0 0 406.376 2.228 20 5 HEBDRN O=C(Cc1nc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)cs1)Nc1ccccc1 ZINC000768464286 1080584461 /nfs/dbraw/zinc/58/44/61/1080584461.db2.gz XXDMGZUIZUSDNX-UHFFFAOYSA-N 0 0 415.387 2.351 20 5 HEBDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000768475025 1080590892 /nfs/dbraw/zinc/59/08/92/1080590892.db2.gz YNOUFJNSCFEPDP-HXUWFJFHSA-N 0 0 412.402 2.318 20 5 HEBDRN Cc1nc(COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)oc1C ZINC000746583473 1080592808 /nfs/dbraw/zinc/59/28/08/1080592808.db2.gz QHDCHGILPVHYTC-CQSZACIVSA-N 0 0 423.447 2.344 20 5 HEBDRN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1=O ZINC000768498983 1080594331 /nfs/dbraw/zinc/59/43/31/1080594331.db2.gz MNRQWGDIVAZMKQ-UHFFFAOYSA-N 0 0 402.226 2.340 20 5 HEBDRN Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768504606 1080596495 /nfs/dbraw/zinc/59/64/95/1080596495.db2.gz NAUKKVASBJRQCX-UHFFFAOYSA-N 0 0 402.226 2.165 20 5 HEBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000768488453 1080601837 /nfs/dbraw/zinc/60/18/37/1080601837.db2.gz KJGUOTQCMCFNCZ-CQSZACIVSA-N 0 0 422.434 2.375 20 5 HEBDRN CC(C)(C)OC(=O)N1CC(OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000768525232 1080610798 /nfs/dbraw/zinc/61/07/98/1080610798.db2.gz IXAKQTAQZDAQJK-UHFFFAOYSA-N 0 0 421.406 2.445 20 5 HEBDRN COc1ccc(S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000768549090 1080651327 /nfs/dbraw/zinc/65/13/27/1080651327.db2.gz LEVQKMAUIHXAHG-UHFFFAOYSA-N 0 0 403.457 2.091 20 5 HEBDRN COC(=O)Nc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000768586121 1080667035 /nfs/dbraw/zinc/66/70/35/1080667035.db2.gz RPEFXSKQBZTUHL-UHFFFAOYSA-N 0 0 401.301 2.418 20 5 HEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000786544723 1080676997 /nfs/dbraw/zinc/67/69/97/1080676997.db2.gz PHCFAWMWYMYNGP-GFCCVEGCSA-N 0 0 415.240 2.318 20 5 HEBDRN C[C@@](O)(C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)C(F)(F)F ZINC000768613334 1080683890 /nfs/dbraw/zinc/68/38/90/1080683890.db2.gz DMRCCCSQFKBLME-MRXNPFEDSA-N 0 0 400.357 2.496 20 5 HEBDRN C[C@](O)(C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)C(F)(F)F ZINC000768613331 1080684094 /nfs/dbraw/zinc/68/40/94/1080684094.db2.gz DMRCCCSQFKBLME-INIZCTEOSA-N 0 0 400.357 2.496 20 5 HEBDRN O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786574705 1080699885 /nfs/dbraw/zinc/69/98/85/1080699885.db2.gz ZQQPJBMRYUJQPO-NSHDSACASA-N 0 0 423.731 2.283 20 5 HEBDRN CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746591623 1080702786 /nfs/dbraw/zinc/70/27/86/1080702786.db2.gz NPMPNCYRWMKSSE-UHFFFAOYSA-N 0 0 414.237 2.281 20 5 HEBDRN C[C@@H](CN(C)S(C)(=O)=O)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000786614304 1080709328 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