smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000029323565 539850829 /nfs/dbraw/zinc/85/08/29/539850829.db2.gz VOCVLJXPVRDUSR-UHFFFAOYSA-N -1 1 364.383 2.455 20 5 FEBDMM COc1ccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])cn3)[n-][nH]2)c(OC)c1 ZINC000531627784 540108792 /nfs/dbraw/zinc/10/87/92/540108792.db2.gz KHQNYZVMBQMVAF-UHFFFAOYSA-N -1 1 370.325 2.044 20 5 FEBDMM COCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000054124777 540570147 /nfs/dbraw/zinc/57/01/47/540570147.db2.gz BORYKRAOZYBEEZ-UHFFFAOYSA-N -1 1 365.411 2.478 20 5 FEBDMM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069125258 541660788 /nfs/dbraw/zinc/66/07/88/541660788.db2.gz YAXBGZOUHUYISD-VIFPVBQESA-N -1 1 358.807 2.330 20 5 FEBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000101569449 543034570 /nfs/dbraw/zinc/03/45/70/543034570.db2.gz QJDYFGIVWXMFPX-UHFFFAOYSA-N -1 1 357.338 2.263 20 5 FEBDMM CCn1c(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2ccccc21 ZINC000128064676 544030907 /nfs/dbraw/zinc/03/09/07/544030907.db2.gz XCWWQHAAFPXOAC-UHFFFAOYSA-N -1 1 355.354 2.038 20 5 FEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186021408 327943818 /nfs/dbraw/zinc/94/38/18/327943818.db2.gz NMBMNWDSEMAKEX-UHFFFAOYSA-N -1 1 368.802 2.292 20 5 FEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000119740243 326193051 /nfs/dbraw/zinc/19/30/51/326193051.db2.gz YMQQNYSPQUJDAI-UHFFFAOYSA-N -1 1 362.346 2.162 20 5 FEBDMM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000121325864 326329646 /nfs/dbraw/zinc/32/96/46/326329646.db2.gz VIWXKVYMXLMMLC-SNVBAGLBSA-N -1 1 370.818 2.046 20 5 FEBDMM CN(Cc1cc(Br)cn1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000163494324 327052516 /nfs/dbraw/zinc/05/25/16/327052516.db2.gz VXSXBBVEEDMRLY-UHFFFAOYSA-N -1 1 369.175 2.069 20 5 FEBDMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174101467 327306315 /nfs/dbraw/zinc/30/63/15/327306315.db2.gz NYXNZVRRMUGGEE-UHFFFAOYSA-N -1 1 362.289 2.443 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C(N)=O ZINC000175017552 327368236 /nfs/dbraw/zinc/36/82/36/327368236.db2.gz UQERHVHEIHJSIM-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000267644607 329346340 /nfs/dbraw/zinc/34/63/40/329346340.db2.gz RWSLFFYSPQQFJQ-VIFPVBQESA-N -1 1 357.413 2.237 20 5 FEBDMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000273600625 329878362 /nfs/dbraw/zinc/87/83/62/329878362.db2.gz YDOVFWDHTUWIHD-WFASDCNBSA-N -1 1 361.329 2.485 20 5 FEBDMM O=C(NCc1c(F)cccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000477311269 561141835 /nfs/dbraw/zinc/14/18/35/561141835.db2.gz XYRUQISWJMQTAU-UHFFFAOYSA-N -1 1 357.244 2.366 20 5 FEBDMM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000159996026 545998086 /nfs/dbraw/zinc/99/80/86/545998086.db2.gz DWOVBIWXSCZWFI-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479235445 561185551 /nfs/dbraw/zinc/18/55/51/561185551.db2.gz DJFCELVWJHGTLZ-VIFPVBQESA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000481710627 561239300 /nfs/dbraw/zinc/23/93/00/561239300.db2.gz XZHYPPRGGBLADN-UHFFFAOYSA-N -1 1 355.148 2.357 20 5 FEBDMM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182632833 547524946 /nfs/dbraw/zinc/52/49/46/547524946.db2.gz ZFCTWQXNPUHYHP-KGLIPLIRSA-N -1 1 365.292 2.234 20 5 FEBDMM CCCC(=O)Nc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484247878 561294522 /nfs/dbraw/zinc/29/45/22/561294522.db2.gz PTVMJIZMPWTPGH-UHFFFAOYSA-N -1 1 358.354 2.364 20 5 FEBDMM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263657 561294975 /nfs/dbraw/zinc/29/49/75/561294975.db2.gz TXWGVRMPAPXLKC-INIZCTEOSA-N -1 1 371.349 2.348 20 5 FEBDMM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000184050204 547760954 /nfs/dbraw/zinc/76/09/54/547760954.db2.gz WFRBLZUZJCEIKO-QMMMGPOBSA-N -1 1 350.306 2.376 20 5 FEBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615816 548958680 /nfs/dbraw/zinc/95/86/80/548958680.db2.gz CVWJFWCXIUGRKA-IUODEOHRSA-N -1 1 367.452 2.380 20 5 FEBDMM COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249113879 549554978 /nfs/dbraw/zinc/55/49/78/549554978.db2.gz AZCKUXSTDJINEG-OLZOCXBDSA-N -1 1 371.459 2.002 20 5 FEBDMM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000494294532 561466571 /nfs/dbraw/zinc/46/65/71/561466571.db2.gz AEWMCWKLWGECEM-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)c([N+](=O)[O-])n1 ZINC000494346497 561467770 /nfs/dbraw/zinc/46/77/70/561467770.db2.gz IQGDTXMLHOYFRU-MRVPVSSYSA-N -1 1 358.342 2.211 20 5 FEBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000272485255 550452560 /nfs/dbraw/zinc/45/25/60/550452560.db2.gz ZKXREEQKTGAXMH-LBPRGKRZSA-N -1 1 370.383 2.253 20 5 FEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000273130557 550486446 /nfs/dbraw/zinc/48/64/46/550486446.db2.gz SUIYCEPSNFSESC-UHFFFAOYSA-N -1 1 360.298 2.446 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000273601015 550504940 /nfs/dbraw/zinc/50/49/40/550504940.db2.gz LZGGWUXHTWDCMH-VIFPVBQESA-N -1 1 356.429 2.411 20 5 FEBDMM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000276962546 550616168 /nfs/dbraw/zinc/61/61/68/550616168.db2.gz PIDWUFNYZNIPDO-BDAKNGLRSA-N -1 1 371.394 2.405 20 5 FEBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000276962546 550616170 /nfs/dbraw/zinc/61/61/70/550616170.db2.gz PIDWUFNYZNIPDO-BDAKNGLRSA-N -1 1 371.394 2.405 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(OCCCc2ccccc2)C1 ZINC000278138713 550753275 /nfs/dbraw/zinc/75/32/75/550753275.db2.gz NVMRQPABLBDWQM-UHFFFAOYSA-N -1 1 357.366 2.169 20 5 FEBDMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000290599299 552504678 /nfs/dbraw/zinc/50/46/78/552504678.db2.gz YOOMUVIVYJUQGO-UHFFFAOYSA-N -1 1 372.399 2.079 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000291871535 552670449 /nfs/dbraw/zinc/67/04/49/552670449.db2.gz LJYWIEYGOKKQLA-UHFFFAOYSA-N -1 1 363.395 2.350 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000331705572 554311449 /nfs/dbraw/zinc/31/14/49/554311449.db2.gz CLRHMAPMLNFAPU-HZMBPMFUSA-N -1 1 350.400 2.023 20 5 FEBDMM COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000512472694 561906530 /nfs/dbraw/zinc/90/65/30/561906530.db2.gz XUESDGFDQSVWIM-MRVPVSSYSA-N -1 1 365.317 2.343 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCc2ccccc21 ZINC000365202430 555509830 /nfs/dbraw/zinc/50/98/30/555509830.db2.gz QASFTTCDTIMMLI-OAHLLOKOSA-N -1 1 368.393 2.363 20 5 FEBDMM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000515246515 562002479 /nfs/dbraw/zinc/00/24/79/562002479.db2.gz WRHNCDOPHKEZTN-GFCCVEGCSA-N -1 1 351.746 2.202 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OCCc2sccc21 ZINC000368682824 556384418 /nfs/dbraw/zinc/38/44/18/556384418.db2.gz LTPAYAKLXJDYDB-ZDUSSCGKSA-N -1 1 374.465 2.484 20 5 FEBDMM C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000371178268 557098064 /nfs/dbraw/zinc/09/80/64/557098064.db2.gz RKCMVKXWZNOYET-JTQLQIEISA-N -1 1 369.337 2.106 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Sc2ccccn2)CC1 ZINC000371882845 557319126 /nfs/dbraw/zinc/31/91/26/557319126.db2.gz FLLSFMKVYVDXEA-UHFFFAOYSA-N -1 1 360.395 2.487 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000373220712 557652532 /nfs/dbraw/zinc/65/25/32/557652532.db2.gz ZJXIBQVQYOLVNW-UHFFFAOYSA-N -1 1 351.750 2.023 20 5 FEBDMM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520767838 562163226 /nfs/dbraw/zinc/16/32/26/562163226.db2.gz YSRDWNUVQXFURJ-GFCCVEGCSA-N -1 1 350.400 2.075 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000375731426 558073886 /nfs/dbraw/zinc/07/38/86/558073886.db2.gz NNROQGKYXYTIOF-ZDUSSCGKSA-N -1 1 353.338 2.132 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c1 ZINC000376400824 558168488 /nfs/dbraw/zinc/16/84/88/558168488.db2.gz WVZNGQMJCRFJOM-UHFFFAOYSA-N -1 1 360.355 2.406 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Cl ZINC000377888408 558442341 /nfs/dbraw/zinc/44/23/41/558442341.db2.gz JKWKUSMEHDIPBU-KOLSJAJHSA-N -1 1 364.782 2.233 20 5 FEBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C(=O)[O-] ZINC000393041912 558620100 /nfs/dbraw/zinc/62/01/00/558620100.db2.gz ZNVPWANEYMEJCK-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525183069 562242149 /nfs/dbraw/zinc/24/21/49/562242149.db2.gz AKGGUBBLOKKCBN-GFCCVEGCSA-N -1 1 351.384 2.044 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000525688416 562252215 /nfs/dbraw/zinc/25/22/15/562252215.db2.gz LUTQVWYKMATDJM-UHFFFAOYSA-N -1 1 360.351 2.123 20 5 FEBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525700015 562252720 /nfs/dbraw/zinc/25/27/20/562252720.db2.gz VVSXUZTZLYIAOQ-UHFFFAOYSA-N -1 1 351.384 2.257 20 5 FEBDMM CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000414039975 559148390 /nfs/dbraw/zinc/14/83/90/559148390.db2.gz VQJSSKYDHQGYFU-UHFFFAOYSA-N -1 1 366.399 2.252 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000416419989 559311835 /nfs/dbraw/zinc/31/18/35/559311835.db2.gz WZSTUHILHRIRIW-UHFFFAOYSA-N -1 1 368.371 2.029 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000416634164 559326589 /nfs/dbraw/zinc/32/65/89/559326589.db2.gz QVRMHLFWUDTGSI-UHFFFAOYSA-N -1 1 374.831 2.456 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416648394 559327490 /nfs/dbraw/zinc/32/74/90/559327490.db2.gz OHBHKMGBMITJAG-QMMMGPOBSA-N -1 1 361.217 2.436 20 5 FEBDMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000422125652 559566745 /nfs/dbraw/zinc/56/67/45/559566745.db2.gz PLPLYFVONSFHQC-GHMZBOCLSA-N -1 1 365.386 2.135 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000425246938 559693134 /nfs/dbraw/zinc/69/31/34/559693134.db2.gz YPLWZFSCCLZIBL-DIYOJNKTSA-N -1 1 361.217 2.434 20 5 FEBDMM CC(C)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425296811 559695248 /nfs/dbraw/zinc/69/52/48/559695248.db2.gz HKZMPQXGOYMCTE-LLVKDONJSA-N -1 1 360.370 2.367 20 5 FEBDMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000431655064 559843436 /nfs/dbraw/zinc/84/34/36/559843436.db2.gz WCXAQHLMJBFSOW-LLVKDONJSA-N -1 1 362.773 2.358 20 5 FEBDMM COCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432173877 559853418 /nfs/dbraw/zinc/85/34/18/559853418.db2.gz BQHBOMRLQSGFMU-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(=O)[O-] ZINC000432783257 559864712 /nfs/dbraw/zinc/86/47/12/559864712.db2.gz YUHHZGSTRPLUSX-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(SC)cc2)c([N+](=O)[O-])n1 ZINC000435609543 559926029 /nfs/dbraw/zinc/92/60/29/559926029.db2.gz ZXPGRKUVNVZERB-UHFFFAOYSA-N -1 1 370.456 2.054 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993376 559958974 /nfs/dbraw/zinc/95/89/74/559958974.db2.gz BLRMKFFMOSKSCF-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438585008 559981044 /nfs/dbraw/zinc/98/10/44/559981044.db2.gz UIQQXZUVZLBDLR-QPUJVOFHSA-N -1 1 353.256 2.399 20 5 FEBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000444852124 560122682 /nfs/dbraw/zinc/12/26/82/560122682.db2.gz ALQSOCDNHMUYRG-UHFFFAOYSA-N -1 1 369.280 2.235 20 5 FEBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@@H]3CCOC3)c2C)c1[N+](=O)[O-] ZINC000450791726 560273517 /nfs/dbraw/zinc/27/35/17/560273517.db2.gz IUSFLTANUIQTAQ-LLVKDONJSA-N -1 1 361.358 2.376 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)c([N+](=O)[O-])n1 ZINC000451595277 560316600 /nfs/dbraw/zinc/31/66/00/560316600.db2.gz WFMYANMFYOHFPE-CYBMUJFWSA-N -1 1 368.390 2.306 20 5 FEBDMM CO[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000451827958 560331171 /nfs/dbraw/zinc/33/11/71/560331171.db2.gz RGDDEGNJUJSTCL-CQSZACIVSA-N -1 1 356.425 2.496 20 5 FEBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456776769 560532559 /nfs/dbraw/zinc/53/25/59/560532559.db2.gz FJGJHCAWDKVKBA-MRVPVSSYSA-N -1 1 369.328 2.450 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)CC1 ZINC000469637079 560960467 /nfs/dbraw/zinc/96/04/67/560960467.db2.gz HCKGCTKIDRRZFS-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM COCCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473512752 561051580 /nfs/dbraw/zinc/05/15/80/561051580.db2.gz LGUQQMCUQPBKTH-OAHLLOKOSA-N -1 1 359.382 2.463 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000474421002 561073658 /nfs/dbraw/zinc/07/36/58/561073658.db2.gz JCPNVFKZCIFEIM-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000530905155 562428103 /nfs/dbraw/zinc/42/81/03/562428103.db2.gz NIEJVKKBLLGRCT-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000532395420 562476330 /nfs/dbraw/zinc/47/63/30/562476330.db2.gz JZSZQYFTNQKXJG-JTQLQIEISA-N -1 1 355.759 2.055 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c([N+](=O)[O-])n1 ZINC000532855073 562490659 /nfs/dbraw/zinc/49/06/59/562490659.db2.gz SRVFWRGCPPWYAN-UHFFFAOYSA-N -1 1 371.444 2.016 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000569405019 568401071 /nfs/dbraw/zinc/40/10/71/568401071.db2.gz NRURYQSSLUZLEH-UHFFFAOYSA-N -1 1 351.322 2.037 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000570014788 568440830 /nfs/dbraw/zinc/44/08/30/568440830.db2.gz IXFNEINPQSCHHE-UHFFFAOYSA-N -1 1 361.379 2.453 20 5 FEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(F)c1 ZINC000749144564 597513640 /nfs/dbraw/zinc/51/36/40/597513640.db2.gz QQHRWLARUUGFPO-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=C([O-])c1cc(C(=O)Nc2ccn(-c3ccncc3)n2)cc([N+](=O)[O-])c1 ZINC000738672963 600257760 /nfs/dbraw/zinc/25/77/60/600257760.db2.gz NZKAWEBAIOJPDB-UHFFFAOYSA-N -1 1 353.294 2.126 20 5 FEBDMM Cc1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000738248063 600270826 /nfs/dbraw/zinc/27/08/26/600270826.db2.gz AMYMYURFRDZYCY-UHFFFAOYSA-N -1 1 368.296 2.022 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCc2cn3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826498680 607451414 /nfs/dbraw/zinc/45/14/14/607451414.db2.gz FKBJDAPWKWTDEQ-UHFFFAOYSA-N -1 1 350.342 2.077 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCc2cn3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826498680 607451416 /nfs/dbraw/zinc/45/14/16/607451416.db2.gz FKBJDAPWKWTDEQ-UHFFFAOYSA-N -1 1 350.342 2.077 20 5 FEBDMM O=C([O-])NC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000740547428 601860054 /nfs/dbraw/zinc/86/00/54/601860054.db2.gz IWNYHFIANRYOJQ-UHFFFAOYSA-N -1 1 361.358 2.171 20 5 FEBDMM Cn1nccc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809390016 674492816 /nfs/dbraw/zinc/49/28/16/674492816.db2.gz AWAWDYIMDPBWKF-UHFFFAOYSA-N -1 1 365.198 2.114 20 5 FEBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739066036 601952596 /nfs/dbraw/zinc/95/25/96/601952596.db2.gz WDQZUSWTGNVUDX-GHMZBOCLSA-N -1 1 361.358 2.295 20 5 FEBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819509 674512283 /nfs/dbraw/zinc/51/22/83/674512283.db2.gz VYWGBONZKGLLPV-GFCCVEGCSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000809821269 674512856 /nfs/dbraw/zinc/51/28/56/674512856.db2.gz KEVLWVBQMVPEBV-PELKAZGASA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccon2)c(Cl)cc1Cl ZINC000809824332 674513075 /nfs/dbraw/zinc/51/30/75/674513075.db2.gz OODWBCGGGCDKFK-UHFFFAOYSA-N -1 1 352.155 2.368 20 5 FEBDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809828056 674513693 /nfs/dbraw/zinc/51/36/93/674513693.db2.gz HEXWCXCLAJIJDT-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)O ZINC000809818692 674512066 /nfs/dbraw/zinc/51/20/66/674512066.db2.gz GXGWQGGGOSENFC-ZCFIWIBFSA-N -1 1 357.215 2.339 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC(F)F)cc1Cl ZINC000809841911 674515663 /nfs/dbraw/zinc/51/56/63/674515663.db2.gz AMURCIHLJOPGDL-UHFFFAOYSA-N -1 1 362.713 2.295 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000823634985 606645327 /nfs/dbraw/zinc/64/53/27/606645327.db2.gz PDOSMYUYFSJMKH-MRXNPFEDSA-N -1 1 352.354 2.353 20 5 FEBDMM COC(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821665861 606699673 /nfs/dbraw/zinc/69/96/73/606699673.db2.gz HHWROZBFENZJIQ-UHFFFAOYSA-N -1 1 356.302 2.092 20 5 FEBDMM COC(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821665861 606699675 /nfs/dbraw/zinc/69/96/75/606699675.db2.gz HHWROZBFENZJIQ-UHFFFAOYSA-N -1 1 356.302 2.092 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOc1ccc(F)cc1 ZINC000823625128 606703923 /nfs/dbraw/zinc/70/39/23/606703923.db2.gz PXEIFSHICLBIBZ-UHFFFAOYSA-N -1 1 359.321 2.190 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOc1ccc(F)cc1 ZINC000823625128 606703925 /nfs/dbraw/zinc/70/39/25/606703925.db2.gz PXEIFSHICLBIBZ-UHFFFAOYSA-N -1 1 359.321 2.190 20 5 FEBDMM CCc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000821486326 606710332 /nfs/dbraw/zinc/71/03/32/606710332.db2.gz CRCPFBLSERQIEI-UHFFFAOYSA-N -1 1 357.286 2.433 20 5 FEBDMM CCc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000821486326 606710333 /nfs/dbraw/zinc/71/03/33/606710333.db2.gz CRCPFBLSERQIEI-UHFFFAOYSA-N -1 1 357.286 2.433 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000823621038 606711683 /nfs/dbraw/zinc/71/16/83/606711683.db2.gz VUXLUEBDAGPRFA-GFCCVEGCSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000823621038 606711685 /nfs/dbraw/zinc/71/16/85/606711685.db2.gz VUXLUEBDAGPRFA-GFCCVEGCSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCSC2(CCCCC2)C1 ZINC000823620989 606717643 /nfs/dbraw/zinc/71/76/43/606717643.db2.gz VHMOAAYQLCEVMJ-UHFFFAOYSA-N -1 1 361.431 2.426 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCSC2(CCCCC2)C1 ZINC000823620989 606717644 /nfs/dbraw/zinc/71/76/44/606717644.db2.gz VHMOAAYQLCEVMJ-UHFFFAOYSA-N -1 1 361.431 2.426 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820778062 606719265 /nfs/dbraw/zinc/71/92/65/606719265.db2.gz UWFXJWUJNAHMEA-SKDRFNHKSA-N -1 1 373.398 2.198 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820778062 606719267 /nfs/dbraw/zinc/71/92/67/606719267.db2.gz UWFXJWUJNAHMEA-SKDRFNHKSA-N -1 1 373.398 2.198 20 5 FEBDMM Cc1ccccc1CC1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822356187 606719720 /nfs/dbraw/zinc/71/97/20/606719720.db2.gz MAIOUEKXCLWOQN-UHFFFAOYSA-N -1 1 351.370 2.157 20 5 FEBDMM Cc1ccccc1CC1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822356187 606719721 /nfs/dbraw/zinc/71/97/21/606719721.db2.gz MAIOUEKXCLWOQN-UHFFFAOYSA-N -1 1 351.370 2.157 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCOC2(C1)CCCCCC2 ZINC000823621140 606879229 /nfs/dbraw/zinc/87/92/29/606879229.db2.gz WTLCHZZZHPBTHI-UHFFFAOYSA-N -1 1 359.390 2.100 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCOC2(C1)CCCCCC2 ZINC000823621140 606879231 /nfs/dbraw/zinc/87/92/31/606879231.db2.gz WTLCHZZZHPBTHI-UHFFFAOYSA-N -1 1 359.390 2.100 20 5 FEBDMM CCc1ocnc1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000825776792 608162667 /nfs/dbraw/zinc/16/26/67/608162667.db2.gz KPGLDUODVXHZKM-UHFFFAOYSA-N -1 1 363.721 2.231 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCNc1cccc(F)c1 ZINC000826497909 609603302 /nfs/dbraw/zinc/60/33/02/609603302.db2.gz YIRJNHBMRKHBPV-UHFFFAOYSA-N -1 1 358.337 2.223 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCNc1cccc(F)c1 ZINC000826497909 609603303 /nfs/dbraw/zinc/60/33/03/609603303.db2.gz YIRJNHBMRKHBPV-UHFFFAOYSA-N -1 1 358.337 2.223 20 5 FEBDMM Cn1ncc2ccc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000812513880 674681156 /nfs/dbraw/zinc/68/11/56/674681156.db2.gz YQNHPFHXZVLRSZ-UHFFFAOYSA-N -1 1 352.397 2.022 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC000562551865 674769450 /nfs/dbraw/zinc/76/94/50/674769450.db2.gz HJIVNBVRHYHPKX-UHFFFAOYSA-N -1 1 351.359 2.485 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000814999021 674894020 /nfs/dbraw/zinc/89/40/20/674894020.db2.gz ICSWRSNRUQJKRT-MRVPVSSYSA-N -1 1 352.771 2.235 20 5 FEBDMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015841 674896506 /nfs/dbraw/zinc/89/65/06/674896506.db2.gz QXKSUOXKQKUWBE-QMMMGPOBSA-N -1 1 354.787 2.073 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000815018113 674897897 /nfs/dbraw/zinc/89/78/97/674897897.db2.gz GSORLDCOTSURFX-SSDOTTSWSA-N -1 1 362.770 2.160 20 5 FEBDMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035295 674904386 /nfs/dbraw/zinc/90/43/86/674904386.db2.gz JKWSONOKKJOMQE-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM CCN(CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC(F)(F)F ZINC000574759628 671275154 /nfs/dbraw/zinc/27/51/54/671275154.db2.gz MSKCXCKUKGXQRU-UHFFFAOYSA-N -1 1 350.297 2.374 20 5 FEBDMM COc1cccc(C2(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)c1 ZINC000575096482 671298216 /nfs/dbraw/zinc/29/82/16/671298216.db2.gz STGZITKECJXOSJ-UHFFFAOYSA-N -1 1 363.395 2.009 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000609030311 675909370 /nfs/dbraw/zinc/90/93/70/675909370.db2.gz RJVXEXMAGOAFTL-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)CCOCC2CCCC2)cc([N+](=O)[O-])c1 ZINC000581000085 671854040 /nfs/dbraw/zinc/85/40/40/671854040.db2.gz JWYZDDMVUSLRSH-UHFFFAOYSA-N -1 1 372.399 2.242 20 5 FEBDMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000121915419 671960037 /nfs/dbraw/zinc/96/00/37/671960037.db2.gz SXUAAMNUAISUMP-CYBMUJFWSA-N -1 1 360.413 2.052 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000610260245 675961913 /nfs/dbraw/zinc/96/19/13/675961913.db2.gz CJQZPCNLNLYYFB-UHFFFAOYSA-N -1 1 369.374 2.266 20 5 FEBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCC2 ZINC000610269600 675963837 /nfs/dbraw/zinc/96/38/37/675963837.db2.gz VLWPGZKJOWDCSL-CHWSQXEVSA-N -1 1 355.416 2.006 20 5 FEBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000584842303 672221615 /nfs/dbraw/zinc/22/16/15/672221615.db2.gz YSFYCOVXWSKXQE-SSDOTTSWSA-N -1 1 368.733 2.062 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000170735298 672324624 /nfs/dbraw/zinc/32/46/24/672324624.db2.gz BFJVJLLZYRPHJC-CYBMUJFWSA-N -1 1 354.359 2.400 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000172285342 672340678 /nfs/dbraw/zinc/34/06/78/672340678.db2.gz RUHIGOQMYBXPEA-UHFFFAOYSA-N -1 1 366.370 2.190 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)c([N+](=O)[O-])n1 ZINC000611105991 676017680 /nfs/dbraw/zinc/01/76/80/676017680.db2.gz QMFFLIVKCDTLKD-UHFFFAOYSA-N -1 1 368.415 2.077 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000589302043 672520988 /nfs/dbraw/zinc/52/09/88/672520988.db2.gz ISWZMQUHBHQWCV-SECBINFHSA-N -1 1 367.221 2.061 20 5 FEBDMM COCc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194342079 672757019 /nfs/dbraw/zinc/75/70/19/672757019.db2.gz MKJBTLXELLXQTO-UHFFFAOYSA-N -1 1 354.359 2.359 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000613267546 676120486 /nfs/dbraw/zinc/12/04/86/676120486.db2.gz SVYFIMPNJHFUGM-UHFFFAOYSA-N -1 1 357.775 2.183 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)ccc1Cl ZINC000732047910 673352057 /nfs/dbraw/zinc/35/20/57/673352057.db2.gz KNRSYFASAKSXII-UHFFFAOYSA-N -1 1 372.786 2.420 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000733320065 673409437 /nfs/dbraw/zinc/40/94/37/673409437.db2.gz CRFNOLUEDDRLRO-SECBINFHSA-N -1 1 362.713 2.104 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000733322391 673409702 /nfs/dbraw/zinc/40/97/02/673409702.db2.gz UJFPCXQFLALRTR-VIFPVBQESA-N -1 1 362.713 2.104 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734865 673604608 /nfs/dbraw/zinc/60/46/08/673604608.db2.gz PQBUVMJQFQALEF-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000599214798 673642249 /nfs/dbraw/zinc/64/22/49/673642249.db2.gz BVUVGZXMWXHGHT-NSHDSACASA-N -1 1 358.807 2.411 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000543871716 673675765 /nfs/dbraw/zinc/67/57/65/673675765.db2.gz ZYYPITLEQDTVIE-UHFFFAOYSA-N -1 1 365.367 2.363 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000545918337 673783055 /nfs/dbraw/zinc/78/30/55/673783055.db2.gz QZOGSSODMJMFBE-UHFFFAOYSA-N -1 1 363.395 2.016 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000546870832 673824032 /nfs/dbraw/zinc/82/40/32/673824032.db2.gz SKFFNVJJCLDKOU-GFCCVEGCSA-N -1 1 352.416 2.283 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000547323116 673842717 /nfs/dbraw/zinc/84/27/17/673842717.db2.gz JQUDCVAIPADUIL-ZIAGYGMSSA-N -1 1 363.395 2.188 20 5 FEBDMM C[C@H]1CC[C@](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000548556949 673971151 /nfs/dbraw/zinc/97/11/51/673971151.db2.gz QWQTUZYWKQELAG-ZUZCIYMTSA-N -1 1 374.390 2.293 20 5 FEBDMM CO[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000618383157 676338085 /nfs/dbraw/zinc/33/80/85/676338085.db2.gz HLOJJQCHEPAWOQ-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000763397562 680782310 /nfs/dbraw/zinc/78/23/10/680782310.db2.gz OMWQOTOTIQIZOH-VIFPVBQESA-N -1 1 364.807 2.114 20 5 FEBDMM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OCc1ccccc1 ZINC000765210682 680835738 /nfs/dbraw/zinc/83/57/38/680835738.db2.gz FDOJJBVPKRXWCD-UHFFFAOYSA-N -1 1 370.408 2.068 20 5 FEBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1O ZINC000751153461 680156900 /nfs/dbraw/zinc/15/69/00/680156900.db2.gz YCCYCTWWANYTSS-UHFFFAOYSA-N -1 1 372.786 2.441 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000751421638 680173176 /nfs/dbraw/zinc/17/31/76/680173176.db2.gz BKYGUTYDDBJECU-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000751990380 680216778 /nfs/dbraw/zinc/21/67/78/680216778.db2.gz ZDAFATSEZBXKFB-LLVKDONJSA-N -1 1 362.379 2.134 20 5 FEBDMM COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768846517 680961168 /nfs/dbraw/zinc/96/11/68/680961168.db2.gz KNLCMSOYGDDISS-CYBMUJFWSA-N -1 1 372.424 2.067 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cs1 ZINC000768886252 680963356 /nfs/dbraw/zinc/96/33/56/680963356.db2.gz AXTBLYLDMOISOH-UHFFFAOYSA-N -1 1 351.369 2.242 20 5 FEBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000776561675 681405539 /nfs/dbraw/zinc/40/55/39/681405539.db2.gz PPUOBMCUSPORBB-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(OC)OC ZINC000849405050 681716402 /nfs/dbraw/zinc/71/64/02/681716402.db2.gz DQQKZSAXZZFNSK-VIFPVBQESA-N -1 1 370.786 2.063 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849436964 681734097 /nfs/dbraw/zinc/73/40/97/681734097.db2.gz ZBYLZJVIKWAIQD-ZKCHVHJHSA-N -1 1 352.771 2.233 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC000782259878 682021976 /nfs/dbraw/zinc/02/19/76/682021976.db2.gz MFIHDFYEBUKIIW-UHFFFAOYSA-N -1 1 364.335 2.075 20 5 FEBDMM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000783874780 682183603 /nfs/dbraw/zinc/18/36/03/682183603.db2.gz ZIEHYQJNMPVWHV-UHFFFAOYSA-N -1 1 354.315 2.443 20 5 FEBDMM CC(C)(C)c1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000917252925 685530860 /nfs/dbraw/zinc/53/08/60/685530860.db2.gz WXPNWVQZPDWBOZ-UHFFFAOYSA-N -1 1 364.383 2.324 20 5 FEBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000795241773 683031808 /nfs/dbraw/zinc/03/18/08/683031808.db2.gz OPVNRMKCJQQLOZ-SNVBAGLBSA-N -1 1 362.379 2.133 20 5 FEBDMM CO[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000921402991 683458442 /nfs/dbraw/zinc/45/84/42/683458442.db2.gz MBTINXRZRFXONZ-LBPRGKRZSA-N -1 1 366.848 2.049 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)s1 ZINC000921587421 683511549 /nfs/dbraw/zinc/51/15/49/683511549.db2.gz SDCWVEZPQSXWCL-YUMQZZPRSA-N -1 1 374.362 2.435 20 5 FEBDMM CC(C)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867576845 684319523 /nfs/dbraw/zinc/31/95/23/684319523.db2.gz RPNWFALIBYCJOL-UHFFFAOYSA-N -1 1 355.185 2.384 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000882870630 687519938 /nfs/dbraw/zinc/51/99/38/687519938.db2.gz NKBVAWBTLICTCM-YFKPBYRVSA-N -1 1 359.148 2.289 20 5 FEBDMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC3 ZINC000025545436 539762928 /nfs/dbraw/zinc/76/29/28/539762928.db2.gz FYLUCSQUBIBBSB-UHFFFAOYSA-N -1 1 352.350 2.271 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000029322899 539850296 /nfs/dbraw/zinc/85/02/96/539850296.db2.gz WOCKMVFHHBQTBK-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM C[C@H](CO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000053584161 540544618 /nfs/dbraw/zinc/54/46/18/540544618.db2.gz GALJYNYZVAMOEU-LBPRGKRZSA-N -1 1 365.411 2.436 20 5 FEBDMM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001537 541277576 /nfs/dbraw/zinc/27/75/76/541277576.db2.gz RZYHJZLPHCVFHV-UHFFFAOYSA-N -1 1 372.424 2.195 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000055583367 205221484 /nfs/dbraw/zinc/22/14/84/205221484.db2.gz RWRHBXXMWKTQFM-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM CCN(CCO)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000078254340 542449865 /nfs/dbraw/zinc/44/98/65/542449865.db2.gz FMASMFBUVARKNS-UHFFFAOYSA-N -1 1 365.411 2.214 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000097099842 543004971 /nfs/dbraw/zinc/00/49/71/543004971.db2.gz ZDNWPVLZNHPPBO-UHFFFAOYSA-N -1 1 373.413 2.126 20 5 FEBDMM O=C(NCc1cc(Br)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120128189 543676175 /nfs/dbraw/zinc/67/61/75/543676175.db2.gz OGEADFZMZIOZRN-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124831944 543845002 /nfs/dbraw/zinc/84/50/02/543845002.db2.gz VIASJRXFLFGTKB-OCCSQVGLSA-N -1 1 362.835 2.468 20 5 FEBDMM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nn[n-]n1 ZINC000136704796 544377586 /nfs/dbraw/zinc/37/75/86/544377586.db2.gz CVHCOEZZVMKJIK-JTQLQIEISA-N -1 1 369.179 2.142 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)s1 ZINC000553856341 674289551 /nfs/dbraw/zinc/28/95/51/674289551.db2.gz JXDCOLBGGICXLK-UHFFFAOYSA-N -1 1 372.409 2.246 20 5 FEBDMM C[C@H](O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccccc1 ZINC000191791731 328282102 /nfs/dbraw/zinc/28/21/02/328282102.db2.gz BVVVITCMXDDPSP-SGTLLEGYSA-N -1 1 359.382 2.055 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000192576123 328326697 /nfs/dbraw/zinc/32/66/97/328326697.db2.gz BQELWFSORXFORC-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193666258 328388640 /nfs/dbraw/zinc/38/86/40/328388640.db2.gz YQKMWDWKNHRAKA-FORDYWAESA-N -1 1 363.395 2.266 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2F)no1 ZINC000193723864 328391693 /nfs/dbraw/zinc/39/16/93/328391693.db2.gz QYOWSQVQPNEAQE-CYBMUJFWSA-N -1 1 373.300 2.045 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000091160285 325375945 /nfs/dbraw/zinc/37/59/45/325375945.db2.gz FXOHQWJHEPONDG-UHFFFAOYSA-N -1 1 353.331 2.358 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000129675446 326544626 /nfs/dbraw/zinc/54/46/26/326544626.db2.gz AXCFHZDIFGNACO-GFCCVEGCSA-N -1 1 373.394 2.215 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)c1 ZINC000164037774 327063497 /nfs/dbraw/zinc/06/34/97/327063497.db2.gz IUIKNTHNWIVCGW-INIZCTEOSA-N -1 1 359.382 2.342 20 5 FEBDMM COc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1[N+](=O)[O-] ZINC000266971175 329278281 /nfs/dbraw/zinc/27/82/81/329278281.db2.gz BQZWZJWNSDWHEQ-UHFFFAOYSA-N -1 1 364.383 2.059 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)s1 ZINC000480863488 561218626 /nfs/dbraw/zinc/21/86/26/561218626.db2.gz FTDDHLFZEZBCSW-JTQLQIEISA-N -1 1 370.408 2.165 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])n1 ZINC000480947435 561220850 /nfs/dbraw/zinc/22/08/50/561220850.db2.gz DMGUAIAPPNJCEP-CYBMUJFWSA-N -1 1 368.390 2.306 20 5 FEBDMM C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CC1 ZINC000483862227 561285175 /nfs/dbraw/zinc/28/51/75/561285175.db2.gz KUKVCTQIHPYJMR-KRWDZBQOSA-N -1 1 370.409 2.336 20 5 FEBDMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000486708323 561354987 /nfs/dbraw/zinc/35/49/87/561354987.db2.gz LOLCANUBZAZSOA-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246023671 549037804 /nfs/dbraw/zinc/03/78/04/549037804.db2.gz ODXBEUXBSKHALQ-NDMJEZRESA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)s1 ZINC000246776865 549210008 /nfs/dbraw/zinc/21/00/08/549210008.db2.gz PDHWNQCCFFRTEO-ZWKOPEQDSA-N -1 1 358.441 2.282 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000268788310 550116117 /nfs/dbraw/zinc/11/61/17/550116117.db2.gz LBMKVUVAYBECSL-JTQLQIEISA-N -1 1 356.791 2.327 20 5 FEBDMM Cc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c([N+](=O)[O-])c1 ZINC000273318841 550494373 /nfs/dbraw/zinc/49/43/73/550494373.db2.gz FMZSIDSDFBVUBT-ZDUSSCGKSA-N -1 1 362.411 2.324 20 5 FEBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000278086491 550747494 /nfs/dbraw/zinc/74/74/94/550747494.db2.gz HTGRDZOZJYLPCB-CQSZACIVSA-N -1 1 373.365 2.102 20 5 FEBDMM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223821 550762528 /nfs/dbraw/zinc/76/25/28/550762528.db2.gz URUXYEBOISZVDW-INIZCTEOSA-N -1 1 351.359 2.033 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282259910 551203011 /nfs/dbraw/zinc/20/30/11/551203011.db2.gz RUZYTIYZEQWNMI-LBPRGKRZSA-N -1 1 371.397 2.248 20 5 FEBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCCF ZINC000283595114 551393591 /nfs/dbraw/zinc/39/35/91/551393591.db2.gz SJVIERRBGAUYKL-LURJTMIESA-N -1 1 368.243 2.408 20 5 FEBDMM O=c1nc(C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)[nH][n-]1 ZINC000285732476 551802547 /nfs/dbraw/zinc/80/25/47/551802547.db2.gz SVJRUSXLAUKJIW-UHFFFAOYSA-N -1 1 357.292 2.409 20 5 FEBDMM CC(C)(O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289873309 552392533 /nfs/dbraw/zinc/39/25/33/552392533.db2.gz NWVNNCPNCHQBMK-UHFFFAOYSA-N -1 1 357.215 2.341 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000298050152 553377122 /nfs/dbraw/zinc/37/71/22/553377122.db2.gz GTFCTUSPKRUTJP-AAEUAGOBSA-N -1 1 363.395 2.485 20 5 FEBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000326121481 553779324 /nfs/dbraw/zinc/77/93/24/553779324.db2.gz FYWUYDMCPAIKSF-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000331705573 554311678 /nfs/dbraw/zinc/31/16/78/554311678.db2.gz CLRHMAPMLNFAPU-IINYFYTJSA-N -1 1 350.400 2.023 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000516020436 562028290 /nfs/dbraw/zinc/02/82/90/562028290.db2.gz AAGJCZWOUDOWQS-SNVBAGLBSA-N -1 1 369.337 2.251 20 5 FEBDMM O=C([O-])CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000516546141 562047141 /nfs/dbraw/zinc/04/71/41/562047141.db2.gz NRLWSFTWJNMTPO-ZYHUDNBSSA-N -1 1 374.390 2.436 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)s1 ZINC000372323008 557439590 /nfs/dbraw/zinc/43/95/90/557439590.db2.gz BEXLJXPKEBXIOT-UHFFFAOYSA-N -1 1 351.369 2.242 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000374905957 557949029 /nfs/dbraw/zinc/94/90/29/557949029.db2.gz AZLCZGLXVPSACS-CYBMUJFWSA-N -1 1 362.773 2.136 20 5 FEBDMM COC(=O)CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000522880596 562205477 /nfs/dbraw/zinc/20/54/77/562205477.db2.gz JDZJQDUPXNXRND-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc([N+](=O)[O-])c1C ZINC000392791895 558618886 /nfs/dbraw/zinc/61/88/86/558618886.db2.gz ZFQMBZITIKMDCL-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702653 562252729 /nfs/dbraw/zinc/25/27/29/562252729.db2.gz FGSWTLWEZFWVLM-WCQYABFASA-N -1 1 357.432 2.109 20 5 FEBDMM CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000421149189 559526721 /nfs/dbraw/zinc/52/67/21/559526721.db2.gz HGIWQRMGPKWDOY-ZDUSSCGKSA-N -1 1 360.388 2.096 20 5 FEBDMM C[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000425292644 559694962 /nfs/dbraw/zinc/69/49/62/559694962.db2.gz AOGBHFFLHSVGPY-ZJUUUORDSA-N -1 1 364.333 2.332 20 5 FEBDMM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432196202 559854004 /nfs/dbraw/zinc/85/40/04/559854004.db2.gz NFUKWGVWIHCHKA-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000435420651 559922320 /nfs/dbraw/zinc/92/23/20/559922320.db2.gz DMWVZEIJHSBRKP-NWDGAFQWSA-N -1 1 370.818 2.299 20 5 FEBDMM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436918687 559956496 /nfs/dbraw/zinc/95/64/96/559956496.db2.gz IFHDTNXFZXIWQG-UHFFFAOYSA-N -1 1 356.338 2.472 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])n2)cc1 ZINC000436927242 559956592 /nfs/dbraw/zinc/95/65/92/559956592.db2.gz QISJTRABCOKPIP-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COc1ccc(-c2nc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])n[nH]2)cc1 ZINC000436927242 559956593 /nfs/dbraw/zinc/95/65/93/559956593.db2.gz QISJTRABCOKPIP-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000443154020 560072795 /nfs/dbraw/zinc/07/27/95/560072795.db2.gz PCTXJOUFLFGBHO-UHFFFAOYSA-N -1 1 368.415 2.371 20 5 FEBDMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000445219764 560131003 /nfs/dbraw/zinc/13/10/03/560131003.db2.gz YTMHLLGGLXCPMT-FVQBIDKESA-N -1 1 373.365 2.050 20 5 FEBDMM CSc1n[nH]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000446124195 560140207 /nfs/dbraw/zinc/14/02/07/560140207.db2.gz YUVZCHARBZZXFX-UHFFFAOYSA-N -1 1 372.204 2.379 20 5 FEBDMM C[C@H](CN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1nn[n-]n1 ZINC000446420039 560145812 /nfs/dbraw/zinc/14/58/12/560145812.db2.gz ZBBLJWLBJYEXMP-LLVKDONJSA-N -1 1 362.393 2.070 20 5 FEBDMM O=C(NC1CCCC1)c1ccc(=NCCc2ccccc2[N+](=O)[O-])[n-]n1 ZINC000467995243 560920932 /nfs/dbraw/zinc/92/09/32/560920932.db2.gz RRICKUQBXCWEOI-UHFFFAOYSA-N -1 1 355.398 2.712 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000468382416 560928439 /nfs/dbraw/zinc/92/84/39/560928439.db2.gz CUVKVQSVWVWYIN-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])n1 ZINC000533176466 562500470 /nfs/dbraw/zinc/50/04/70/562500470.db2.gz HOAURVUAJOVSHV-CYBMUJFWSA-N -1 1 350.400 2.085 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c([N+](=O)[O-])n1 ZINC000533176555 562500508 /nfs/dbraw/zinc/50/05/08/562500508.db2.gz MAUBDSWRYJBIBK-NSHDSACASA-N -1 1 368.440 2.327 20 5 FEBDMM CC1(C)CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000541002871 562600020 /nfs/dbraw/zinc/60/00/20/562600020.db2.gz DJVFCTKKWBOPCM-UHFFFAOYSA-N -1 1 374.390 2.436 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000541080348 562602269 /nfs/dbraw/zinc/60/22/69/562602269.db2.gz XZIVPUAMVIHUBV-UHFFFAOYSA-N -1 1 365.323 2.251 20 5 FEBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000550121652 562642986 /nfs/dbraw/zinc/64/29/86/562642986.db2.gz BPWLWOVECAHCHQ-SNVBAGLBSA-N -1 1 371.353 2.113 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000569308774 568361455 /nfs/dbraw/zinc/36/14/55/568361455.db2.gz FBZBSBDDFIRMBV-ZETOZRRWSA-N -1 1 363.395 2.221 20 5 FEBDMM CC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)OCCc2ccccc21 ZINC000569417127 568401714 /nfs/dbraw/zinc/40/17/14/568401714.db2.gz ZVCMOXLVWUAZJC-SFHVURJKSA-N -1 1 357.366 2.303 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000808349186 674455277 /nfs/dbraw/zinc/45/52/77/674455277.db2.gz JAJJUESRTNGGJC-SNVBAGLBSA-N -1 1 352.343 2.188 20 5 FEBDMM CNc1nccc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000557635544 674458761 /nfs/dbraw/zinc/45/87/61/674458761.db2.gz LRISGPSMKRXLMR-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FEBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000611463988 601736648 /nfs/dbraw/zinc/73/66/48/601736648.db2.gz NPWKQEMWPCDNHD-CQSZACIVSA-N -1 1 358.285 2.166 20 5 FEBDMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819170 674512260 /nfs/dbraw/zinc/51/22/60/674512260.db2.gz OCJSHXPBKGQZBD-QMMMGPOBSA-N -1 1 354.787 2.073 20 5 FEBDMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818763 674512271 /nfs/dbraw/zinc/51/22/71/674512271.db2.gz HUAAOHBPXJMSIB-LLVKDONJSA-N -1 1 357.215 2.341 20 5 FEBDMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821396 674512803 /nfs/dbraw/zinc/51/28/03/674512803.db2.gz RPCVLHODUXHOKW-JTQLQIEISA-N -1 1 354.787 2.073 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H]1O ZINC000809834039 674514627 /nfs/dbraw/zinc/51/46/27/674514627.db2.gz VWCXHDLQDLICRW-MNOVXSKESA-N -1 1 369.226 2.339 20 5 FEBDMM COc1cccc2c1OC[C@H](Nc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC000821877324 606645614 /nfs/dbraw/zinc/64/56/14/606645614.db2.gz HKTVXIBELAYLRD-GFCCVEGCSA-N -1 1 368.353 2.199 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000820777220 606700656 /nfs/dbraw/zinc/70/06/56/606700656.db2.gz QGGSPKGBUUUUAA-FZMZJTMJSA-N -1 1 367.369 2.136 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000820777220 606700658 /nfs/dbraw/zinc/70/06/58/606700658.db2.gz QGGSPKGBUUUUAA-FZMZJTMJSA-N -1 1 367.369 2.136 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(-c2ccccc2)on1 ZINC000823625443 606707477 /nfs/dbraw/zinc/70/74/77/606707477.db2.gz VMAZSHLQUCGWIV-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(-c2ccccc2)on1 ZINC000823625443 606707479 /nfs/dbraw/zinc/70/74/79/606707479.db2.gz VMAZSHLQUCGWIV-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC000823620490 606711355 /nfs/dbraw/zinc/71/13/55/606711355.db2.gz LSKALWUSDTYULP-CYBMUJFWSA-N -1 1 367.369 2.218 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC000823620490 606711358 /nfs/dbraw/zinc/71/13/58/606711358.db2.gz LSKALWUSDTYULP-CYBMUJFWSA-N -1 1 367.369 2.218 20 5 FEBDMM C[C@H](O)C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473647 606719329 /nfs/dbraw/zinc/71/93/29/606719329.db2.gz IPLYPJWPIVHBNW-AAEUAGOBSA-N -1 1 369.385 2.137 20 5 FEBDMM C[C@H](O)C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473647 606719331 /nfs/dbraw/zinc/71/93/31/606719331.db2.gz IPLYPJWPIVHBNW-AAEUAGOBSA-N -1 1 369.385 2.137 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820778059 606719392 /nfs/dbraw/zinc/71/93/92/606719392.db2.gz UWFXJWUJNAHMEA-BXKDBHETSA-N -1 1 373.398 2.198 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820778059 606719393 /nfs/dbraw/zinc/71/93/93/606719393.db2.gz UWFXJWUJNAHMEA-BXKDBHETSA-N -1 1 373.398 2.198 20 5 FEBDMM CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000821123248 607040914 /nfs/dbraw/zinc/04/09/14/607040914.db2.gz OEODXNHTTAJYEC-UHFFFAOYSA-N -1 1 356.346 2.177 20 5 FEBDMM CCCCn1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)n1 ZINC000825301244 608293731 /nfs/dbraw/zinc/29/37/31/608293731.db2.gz KNCYOEFIASKSDI-UHFFFAOYSA-N -1 1 357.378 2.087 20 5 FEBDMM CCCCn1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)n1 ZINC000825301244 608293732 /nfs/dbraw/zinc/29/37/32/608293732.db2.gz KNCYOEFIASKSDI-UHFFFAOYSA-N -1 1 357.378 2.087 20 5 FEBDMM C[C@@H](COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[N+](=O)[O-] ZINC000813107396 674720417 /nfs/dbraw/zinc/72/04/17/674720417.db2.gz PZMVIQWWJANOFN-LBPRGKRZSA-N -1 1 364.379 2.309 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815022291 674899850 /nfs/dbraw/zinc/89/98/50/674899850.db2.gz NSHJNXCYAXHEET-LLVKDONJSA-N -1 1 354.787 2.337 20 5 FEBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815026246 674901305 /nfs/dbraw/zinc/90/13/05/674901305.db2.gz OKZUKMBEDZLKNR-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000564627498 675045507 /nfs/dbraw/zinc/04/55/07/675045507.db2.gz ZUMSVGYQTGOQMH-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000577499365 671600434 /nfs/dbraw/zinc/60/04/34/671600434.db2.gz XNGZTDQDOWECLV-UHFFFAOYSA-N -1 1 363.442 2.046 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000578475798 671667869 /nfs/dbraw/zinc/66/78/69/671667869.db2.gz JECJXMBCOLERLA-UHFFFAOYSA-N -1 1 366.277 2.146 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000578659687 671680842 /nfs/dbraw/zinc/68/08/42/671680842.db2.gz BOXHYKMPPTWTKV-JOCHJYFZSA-N -1 1 354.409 2.441 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cs1 ZINC000120051990 671915593 /nfs/dbraw/zinc/91/55/93/671915593.db2.gz NMVMBQYGMBDRIL-UHFFFAOYSA-N -1 1 358.401 2.074 20 5 FEBDMM Cc1ccc(SCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610211918 675959496 /nfs/dbraw/zinc/95/94/96/675959496.db2.gz IDOQAAZFKFJKEQ-UHFFFAOYSA-N -1 1 353.425 2.369 20 5 FEBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123760108 671985106 /nfs/dbraw/zinc/98/51/06/671985106.db2.gz NVEVNWYHSCVKEU-SNVBAGLBSA-N -1 1 350.824 2.325 20 5 FEBDMM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000138091791 672143324 /nfs/dbraw/zinc/14/33/24/672143324.db2.gz SEAHESMNEGTOIV-GFCCVEGCSA-N -1 1 359.363 2.374 20 5 FEBDMM C[C@](O)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153987906 672208433 /nfs/dbraw/zinc/20/84/33/672208433.db2.gz RUHMVBVVAVSYMZ-HNNXBMFYSA-N -1 1 372.349 2.059 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589922476 672547863 /nfs/dbraw/zinc/54/78/63/672547863.db2.gz HFKVWBKAZHLJJK-XVKPBYJWSA-N -1 1 374.362 2.089 20 5 FEBDMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592082364 672750622 /nfs/dbraw/zinc/75/06/22/672750622.db2.gz HIWWHDZBYHJGKM-UWVGGRQHSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462587847 673266406 /nfs/dbraw/zinc/26/64/06/673266406.db2.gz BAIKOHRBJATDQW-JTQLQIEISA-N -1 1 372.424 2.411 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c1 ZINC000542728312 673599924 /nfs/dbraw/zinc/59/99/24/673599924.db2.gz LQQRRGTWZNRWTB-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM CC(C)Cc1ccccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599358674 673663430 /nfs/dbraw/zinc/66/34/30/673663430.db2.gz LJEPMEVAFOQELE-UHFFFAOYSA-N -1 1 352.416 2.005 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480575 673681146 /nfs/dbraw/zinc/68/11/46/673681146.db2.gz DASDIKAFNXQJEA-ZDUSSCGKSA-N -1 1 352.416 2.375 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000544654755 673723533 /nfs/dbraw/zinc/72/35/33/673723533.db2.gz DOLYXSPZKLKYJR-LBPRGKRZSA-N -1 1 354.384 2.471 20 5 FEBDMM CCOC(=O)[C@@]1(COC)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000619613046 676388063 /nfs/dbraw/zinc/38/80/63/676388063.db2.gz QUJWXPJWRQPAAI-KRWDZBQOSA-N -1 1 352.387 2.092 20 5 FEBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832624365 680156996 /nfs/dbraw/zinc/15/69/96/680156996.db2.gz DHUMYSRHXLYEKI-UHFFFAOYSA-N -1 1 350.824 2.324 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(O)CCCC1 ZINC000832649594 680159634 /nfs/dbraw/zinc/15/96/34/680159634.db2.gz IVDSQFPNXCXZQN-UHFFFAOYSA-N -1 1 360.407 2.344 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000841560133 680897955 /nfs/dbraw/zinc/89/79/55/680897955.db2.gz KMCDBPFRJWNWAB-HRDYMLBCSA-N -1 1 366.798 2.479 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000767587822 680917582 /nfs/dbraw/zinc/91/75/82/680917582.db2.gz QQNFPJXEOUKWIO-GFCCVEGCSA-N -1 1 366.370 2.275 20 5 FEBDMM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768867181 680962496 /nfs/dbraw/zinc/96/24/96/680962496.db2.gz UEULUENCPPJPHB-ZDUSSCGKSA-N -1 1 353.425 2.121 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@@H]1CC1(Cl)Cl ZINC000846021875 681174414 /nfs/dbraw/zinc/17/44/14/681174414.db2.gz MBKJMLBUUNNIMM-MRVPVSSYSA-N -1 1 354.215 2.242 20 5 FEBDMM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848505285 681564464 /nfs/dbraw/zinc/56/44/64/681564464.db2.gz IXOMWGKXPWYTJW-UHFFFAOYSA-N -1 1 362.379 2.134 20 5 FEBDMM O=C([N-]Cc1noc(C2CC2)n1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586600 681584090 /nfs/dbraw/zinc/58/40/90/681584090.db2.gz WEJSRRZMROXRQS-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM O=C([N-]Cc1nnc(C2CC2)o1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848587816 681584472 /nfs/dbraw/zinc/58/44/72/681584472.db2.gz MFJUURUBQNHJQX-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM COc1cccc([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000848706790 681606755 /nfs/dbraw/zinc/60/67/55/681606755.db2.gz PAWXRIWHXMMDNP-SNVBAGLBSA-N -1 1 361.320 2.498 20 5 FEBDMM O=C(N=c1cc[nH]cc1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798154609 683314811 /nfs/dbraw/zinc/31/48/11/683314811.db2.gz MQKRBYDUNNXPCW-UHFFFAOYSA-N -1 1 359.729 2.209 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000798473339 683355166 /nfs/dbraw/zinc/35/51/66/683355166.db2.gz IABLLTNHWFORBB-GFCCVEGCSA-N -1 1 360.407 2.201 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000921610585 683520494 /nfs/dbraw/zinc/52/04/94/683520494.db2.gz VKKNZINRFOSRHF-UMNHJUIQSA-N -1 1 358.803 2.118 20 5 FEBDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000031669431 539915132 /nfs/dbraw/zinc/91/51/32/539915132.db2.gz CAWRPWYHJCLQCE-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047327890 540303547 /nfs/dbraw/zinc/30/35/47/540303547.db2.gz IUXMVLXSKJJNQN-UHFFFAOYSA-N -1 1 365.349 2.230 20 5 FEBDMM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000080797614 542609197 /nfs/dbraw/zinc/60/91/97/542609197.db2.gz NKBYNEXDEGNUHY-LBPRGKRZSA-N -1 1 356.425 2.192 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000135601097 544355579 /nfs/dbraw/zinc/35/55/79/544355579.db2.gz MVCIAWYTTXBHED-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCOCC1 ZINC000553596545 674274066 /nfs/dbraw/zinc/27/40/66/674274066.db2.gz UZMITAKWGZMTBR-CQSZACIVSA-N -1 1 351.403 2.452 20 5 FEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000187098443 328002018 /nfs/dbraw/zinc/00/20/18/328002018.db2.gz NRPHAJBSKYDDNV-HNNXBMFYSA-N -1 1 356.382 2.436 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000193706488 328390500 /nfs/dbraw/zinc/39/05/00/328390500.db2.gz WNDCRNGXOCMICE-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000193767977 328394041 /nfs/dbraw/zinc/39/40/41/328394041.db2.gz ZCRANKNPKUPDCR-JTQLQIEISA-N -1 1 369.337 2.279 20 5 FEBDMM CC(C)(C)c1nc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000193782773 328395131 /nfs/dbraw/zinc/39/51/31/328395131.db2.gz HYPLOPQEMHFYHV-UHFFFAOYSA-N -1 1 350.400 2.422 20 5 FEBDMM CN(c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000079718871 325102926 /nfs/dbraw/zinc/10/29/26/325102926.db2.gz XKEQPGCHMFAPDA-UHFFFAOYSA-N -1 1 356.382 2.024 20 5 FEBDMM Cc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000091953328 325398697 /nfs/dbraw/zinc/39/86/97/325398697.db2.gz XARPPVPBZGUXGY-UHFFFAOYSA-N -1 1 371.393 2.413 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1O ZINC000097271748 325460325 /nfs/dbraw/zinc/46/03/25/325460325.db2.gz MFGOBGXYZSJNAX-UKRRQHHQSA-N -1 1 368.798 2.185 20 5 FEBDMM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C ZINC000153323375 326730087 /nfs/dbraw/zinc/73/00/87/326730087.db2.gz QYHBTFAZSJEETR-UHFFFAOYSA-N -1 1 356.425 2.494 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155861018 326808024 /nfs/dbraw/zinc/80/80/24/326808024.db2.gz CFLKVEVFBXTQLH-HERUPUMHSA-N -1 1 372.830 2.484 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1 ZINC000171807292 327162842 /nfs/dbraw/zinc/16/28/42/327162842.db2.gz VWBSJPSWKRRXRA-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM Cn1cc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)cn1 ZINC000155929460 545584619 /nfs/dbraw/zinc/58/46/19/545584619.db2.gz CBAXRLITIDUULZ-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000178625821 546821912 /nfs/dbraw/zinc/82/19/12/546821912.db2.gz LOEPUEUGZJCWPR-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM NS(=O)(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)nc1 ZINC000487511036 561371047 /nfs/dbraw/zinc/37/10/47/561371047.db2.gz GWECQVSVDHYMJR-UHFFFAOYSA-N -1 1 352.375 2.198 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248486719 549448925 /nfs/dbraw/zinc/44/89/25/549448925.db2.gz FSXYVMSVNUOXDA-CZUORRHYSA-N -1 1 370.409 2.336 20 5 FEBDMM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000490454941 561433435 /nfs/dbraw/zinc/43/34/35/561433435.db2.gz SQGLYOROPLCPIF-UHFFFAOYSA-N -1 1 362.458 2.152 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])no1 ZINC000276829319 550600844 /nfs/dbraw/zinc/60/08/44/550600844.db2.gz OMWSURKNSHALQL-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000281112709 551064879 /nfs/dbraw/zinc/06/48/79/551064879.db2.gz XGKNOOBPCNBXJR-QFYYESIMSA-N -1 1 367.789 2.373 20 5 FEBDMM C[C@H](CCCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289182302 552278625 /nfs/dbraw/zinc/27/86/25/552278625.db2.gz PVBYCORQFGGHSN-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000289672799 552359960 /nfs/dbraw/zinc/35/99/60/552359960.db2.gz WQAIYLPEFCOXLJ-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c(Cl)cc1Cl ZINC000289828786 552385547 /nfs/dbraw/zinc/38/55/47/552385547.db2.gz LBHLCHMKJBIPEX-HTQZYQBOSA-N -1 1 369.226 2.341 20 5 FEBDMM CCOCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)no1 ZINC000290949627 552567033 /nfs/dbraw/zinc/56/70/33/552567033.db2.gz PTRBFUVRXGCNCX-SECBINFHSA-N -1 1 370.312 2.484 20 5 FEBDMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000503437916 561641367 /nfs/dbraw/zinc/64/13/67/561641367.db2.gz ZPTJLPRHIURBEJ-UHFFFAOYSA-N -1 1 358.383 2.488 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1C(=O)[O-] ZINC000326307800 553780075 /nfs/dbraw/zinc/78/00/75/553780075.db2.gz AXWFAJDCAMUXTE-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000327400311 553788635 /nfs/dbraw/zinc/78/86/35/553788635.db2.gz UMGGLDITWGLNCK-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCC(CC)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000510622081 561841069 /nfs/dbraw/zinc/84/10/69/561841069.db2.gz MGDBKWGAWNJGEU-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCc2ccccc21 ZINC000365202429 555510147 /nfs/dbraw/zinc/51/01/47/555510147.db2.gz QASFTTCDTIMMLI-HNNXBMFYSA-N -1 1 368.393 2.363 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000513815623 561950923 /nfs/dbraw/zinc/95/09/23/561950923.db2.gz XZWHIIQZCVRPAQ-UHFFFAOYSA-N -1 1 365.367 2.084 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367556389 556081677 /nfs/dbraw/zinc/08/16/77/556081677.db2.gz YAAMSRRIMVKBFA-DYVFJYSZSA-N -1 1 370.409 2.336 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000520333173 562153752 /nfs/dbraw/zinc/15/37/52/562153752.db2.gz IEAJZRWHCLWRFF-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000374878848 557945069 /nfs/dbraw/zinc/94/50/69/557945069.db2.gz OFKPOGXUCOSFBM-CYBMUJFWSA-N -1 1 362.773 2.136 20 5 FEBDMM Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375098606 557977620 /nfs/dbraw/zinc/97/76/20/557977620.db2.gz CBEYEYYXBMACQZ-LRDDRELGSA-N -1 1 370.409 2.254 20 5 FEBDMM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702651 562252811 /nfs/dbraw/zinc/25/28/11/562252811.db2.gz FGSWTLWEZFWVLM-AAEUAGOBSA-N -1 1 357.432 2.109 20 5 FEBDMM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000527076365 562275761 /nfs/dbraw/zinc/27/57/61/562275761.db2.gz JGHYVCKYNSLQDQ-UHFFFAOYSA-N -1 1 364.427 2.313 20 5 FEBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000415651299 559258093 /nfs/dbraw/zinc/25/80/93/559258093.db2.gz TZOHDODDUVTIDT-QMMMGPOBSA-N -1 1 350.306 2.376 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)s1 ZINC000420440136 559487539 /nfs/dbraw/zinc/48/75/39/559487539.db2.gz NBIQPOZSIBJNBD-UHFFFAOYSA-N -1 1 353.425 2.493 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000431171450 559835335 /nfs/dbraw/zinc/83/53/35/559835335.db2.gz YKQCJIDKBCWYNG-UHFFFAOYSA-N -1 1 368.346 2.334 20 5 FEBDMM Cc1nc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)sc1C ZINC000434944028 559912924 /nfs/dbraw/zinc/91/29/24/559912924.db2.gz UBIZRNLEDLOQPV-UHFFFAOYSA-N -1 1 356.429 2.059 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000435594844 559925753 /nfs/dbraw/zinc/92/57/53/559925753.db2.gz YHZSZOFNYUAVMI-NWDGAFQWSA-N -1 1 370.818 2.299 20 5 FEBDMM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000440098600 560004731 /nfs/dbraw/zinc/00/47/31/560004731.db2.gz OZQCVLOJJDBPIL-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM CC(C)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000444960755 560125513 /nfs/dbraw/zinc/12/55/13/560125513.db2.gz ZAOVNZDYDCNNJF-NSHDSACASA-N -1 1 353.375 2.182 20 5 FEBDMM COc1ccccc1OC[C@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445140808 560129579 /nfs/dbraw/zinc/12/95/79/560129579.db2.gz ZFMLZLNPFPEAEZ-LLVKDONJSA-N -1 1 361.354 2.149 20 5 FEBDMM Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000461340733 560767062 /nfs/dbraw/zinc/76/70/62/560767062.db2.gz NLRXMAAVYISHSG-UHFFFAOYSA-N -1 1 350.400 2.190 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000468820220 560939639 /nfs/dbraw/zinc/93/96/39/560939639.db2.gz DYGKTEKBAUJLRT-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccnc1 ZINC000530956213 562429991 /nfs/dbraw/zinc/42/99/91/562429991.db2.gz SSFXOTGIOFFLHP-CYBMUJFWSA-N -1 1 350.400 2.103 20 5 FEBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCC1 ZINC000533632900 562514840 /nfs/dbraw/zinc/51/48/40/562514840.db2.gz KCUSKMQSUDGHOP-ZDUSSCGKSA-N -1 1 374.463 2.075 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550102151 562642607 /nfs/dbraw/zinc/64/26/07/562642607.db2.gz VGGXTZKYXBOFFG-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000550121651 562643046 /nfs/dbraw/zinc/64/30/46/562643046.db2.gz BPWLWOVECAHCHQ-JTQLQIEISA-N -1 1 371.353 2.113 20 5 FEBDMM CC(=O)Nc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819818005 599191997 /nfs/dbraw/zinc/19/19/97/599191997.db2.gz NWOJAUUBOAYBTD-UHFFFAOYSA-N -1 1 357.355 2.280 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1C(N)=O ZINC000557292191 674444281 /nfs/dbraw/zinc/44/42/81/674444281.db2.gz QTGWXLUVLWLHHJ-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)nc2)cc1-c1nnn[n-]1 ZINC000826498602 607451263 /nfs/dbraw/zinc/45/12/63/607451263.db2.gz CCLZRLLHZPAMMB-UHFFFAOYSA-N -1 1 366.385 2.382 20 5 FEBDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)nc2)cc1-c1nn[n-]n1 ZINC000826498602 607451265 /nfs/dbraw/zinc/45/12/65/607451265.db2.gz CCLZRLLHZPAMMB-UHFFFAOYSA-N -1 1 366.385 2.382 20 5 FEBDMM CC(C)(CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000571712129 600757952 /nfs/dbraw/zinc/75/79/52/600757952.db2.gz FEIWGKWBBUOIEL-UHFFFAOYSA-N -1 1 371.198 2.433 20 5 FEBDMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833191 674514548 /nfs/dbraw/zinc/51/45/48/674514548.db2.gz YIEZPSSUIPDQEE-JVXZTZIISA-N -1 1 352.771 2.233 20 5 FEBDMM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738808341 603226343 /nfs/dbraw/zinc/22/63/43/603226343.db2.gz UOKFRKFJUYFZLD-INIZCTEOSA-N -1 1 363.374 2.273 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500893 604044517 /nfs/dbraw/zinc/04/45/17/604044517.db2.gz QRXWEBMYVMNYJS-GFCCVEGCSA-N -1 1 353.375 2.104 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000826497565 607735424 /nfs/dbraw/zinc/73/54/24/607735424.db2.gz LVQORPQFRLSTQH-AWEZNQCLSA-N -1 1 367.369 2.096 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000826497565 607735425 /nfs/dbraw/zinc/73/54/25/607735425.db2.gz LVQORPQFRLSTQH-AWEZNQCLSA-N -1 1 367.369 2.096 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1[N+](=O)[O-] ZINC000833508376 605238136 /nfs/dbraw/zinc/23/81/36/605238136.db2.gz GQVZHFUVJGETSN-UHFFFAOYSA-N -1 1 360.370 2.211 20 5 FEBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823294470 606297190 /nfs/dbraw/zinc/29/71/90/606297190.db2.gz BPXWELRJZJAAIC-UHFFFAOYSA-N -1 1 360.717 2.386 20 5 FEBDMM COc1ccc(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821790775 606701357 /nfs/dbraw/zinc/70/13/57/606701357.db2.gz TXGVFAKPYHVZMM-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM COc1ccc(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821790775 606701358 /nfs/dbraw/zinc/70/13/58/606701358.db2.gz TXGVFAKPYHVZMM-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM CC(C)(C)Oc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000824123971 609431460 /nfs/dbraw/zinc/43/14/60/609431460.db2.gz OKWMQQPFVSTGGQ-UHFFFAOYSA-N -1 1 370.373 2.354 20 5 FEBDMM CC(C)(C)Oc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000824123971 609431462 /nfs/dbraw/zinc/43/14/62/609431462.db2.gz OKWMQQPFVSTGGQ-UHFFFAOYSA-N -1 1 370.373 2.354 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(CCO)CC2)c(Cl)cc1Cl ZINC000814282100 674830110 /nfs/dbraw/zinc/83/01/10/674830110.db2.gz ZMITZTYIVMMOSV-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nccs1 ZINC000814991743 674893347 /nfs/dbraw/zinc/89/33/47/674893347.db2.gz WQRXPTDOMFJMPV-UHFFFAOYSA-N -1 1 351.768 2.322 20 5 FEBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012380 674895830 /nfs/dbraw/zinc/89/58/30/674895830.db2.gz CRNBFSYVZHLFFC-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000815018174 674898023 /nfs/dbraw/zinc/89/80/23/674898023.db2.gz IPJLSHPZBFOGNV-YUMQZZPRSA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029760 674902926 /nfs/dbraw/zinc/90/29/26/674902926.db2.gz XLQYNOUSSUZIIU-YUMQZZPRSA-N -1 1 352.771 2.233 20 5 FEBDMM COc1cc(CN(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000564218831 674985703 /nfs/dbraw/zinc/98/57/03/674985703.db2.gz LSLRAAMPZXMWIE-VIFPVBQESA-N -1 1 362.329 2.400 20 5 FEBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571573162 670895220 /nfs/dbraw/zinc/89/52/20/670895220.db2.gz WENQYXODSREINH-KOLCDFICSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000609511978 675924013 /nfs/dbraw/zinc/92/40/13/675924013.db2.gz URNJLNYVWGXKRB-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])n1 ZINC000580237860 671792030 /nfs/dbraw/zinc/79/20/30/671792030.db2.gz IYVNHBQQSWTFJW-AWEZNQCLSA-N -1 1 364.427 2.476 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000121345549 671947185 /nfs/dbraw/zinc/94/71/85/671947185.db2.gz QUHUFRRFERDXOT-UHFFFAOYSA-N -1 1 351.384 2.470 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000610261651 675961901 /nfs/dbraw/zinc/96/19/01/675961901.db2.gz GCTSVWUKLITZQN-NSHDSACASA-N -1 1 369.786 2.445 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000610262328 675962169 /nfs/dbraw/zinc/96/21/69/675962169.db2.gz RZFDWXXSBIFOKJ-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM COc1cc(C(=O)[N-]n2c(C)nc3sccc3c2=O)ccc1[N+](=O)[O-] ZINC000133725838 672114314 /nfs/dbraw/zinc/11/43/14/672114314.db2.gz JJOVIIUWGMCXAC-UHFFFAOYSA-N -1 1 360.351 2.067 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000158452676 672269586 /nfs/dbraw/zinc/26/95/86/672269586.db2.gz QSIQGAMAABWMNZ-LBPRGKRZSA-N -1 1 356.787 2.260 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000161051660 672295364 /nfs/dbraw/zinc/29/53/64/672295364.db2.gz CUVSSJBNROXXPU-ZDUSSCGKSA-N -1 1 370.814 2.130 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000173978039 672356876 /nfs/dbraw/zinc/35/68/76/672356876.db2.gz ZVHGVUWRUXFPDB-CYBMUJFWSA-N -1 1 354.359 2.400 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000592102456 672756514 /nfs/dbraw/zinc/75/65/14/672756514.db2.gz ZBFDLVFJPOQFFL-LBPRGKRZSA-N -1 1 358.416 2.135 20 5 FEBDMM C[C@H]1CN(CCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000592967840 672859614 /nfs/dbraw/zinc/85/96/14/672859614.db2.gz IQMKOECZFNYKLQ-STQMWFEESA-N -1 1 351.403 2.133 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000717108430 673076502 /nfs/dbraw/zinc/07/65/02/673076502.db2.gz KBQSOJLNJWNNGN-VHSXEESVSA-N -1 1 361.217 2.434 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000594488694 673091458 /nfs/dbraw/zinc/09/14/58/673091458.db2.gz UMFCQLWZOZEXAZ-ZYHUDNBSSA-N -1 1 368.333 2.373 20 5 FEBDMM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000462985779 673291990 /nfs/dbraw/zinc/29/19/90/673291990.db2.gz FNYDVGSGHLRCSI-LLVKDONJSA-N -1 1 351.265 2.227 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)s1 ZINC000510407012 673344491 /nfs/dbraw/zinc/34/44/91/673344491.db2.gz HYZVVVSLAVEQLS-LLVKDONJSA-N -1 1 354.409 2.328 20 5 FEBDMM CC(C)(CO)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000597845115 673512387 /nfs/dbraw/zinc/51/23/87/673512387.db2.gz FOQIOMWTOYDNBF-GFCCVEGCSA-N -1 1 351.384 2.247 20 5 FEBDMM O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598768622 673610215 /nfs/dbraw/zinc/61/02/15/673610215.db2.gz OYIFICKBEILPKN-NSHDSACASA-N -1 1 363.292 2.315 20 5 FEBDMM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599222135 673643276 /nfs/dbraw/zinc/64/32/76/673643276.db2.gz UYCZKPUPCQCBIQ-LLVKDONJSA-N -1 1 368.415 2.155 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)s1 ZINC000599379659 673666701 /nfs/dbraw/zinc/66/67/01/673666701.db2.gz LBODWLBMSRPRLH-LBPRGKRZSA-N -1 1 354.409 2.076 20 5 FEBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc21 ZINC000599450210 673676860 /nfs/dbraw/zinc/67/68/60/673676860.db2.gz ASORSYAYOUERJD-KBPBESRZSA-N -1 1 364.427 2.491 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)co1 ZINC000544965625 673741578 /nfs/dbraw/zinc/74/15/78/673741578.db2.gz LKPOXTPSDKOEPE-UHFFFAOYSA-N -1 1 364.339 2.121 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000744244906 673788886 /nfs/dbraw/zinc/78/88/86/673788886.db2.gz LVMIRMAZIVBDKT-UHFFFAOYSA-N -1 1 365.386 2.028 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820068926 675334475 /nfs/dbraw/zinc/33/44/75/675334475.db2.gz VMWSZMOUEFEEGW-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823380423 675548829 /nfs/dbraw/zinc/54/88/29/675548829.db2.gz XNJGIMBXADMDJA-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823380423 675548832 /nfs/dbraw/zinc/54/88/32/675548832.db2.gz XNJGIMBXADMDJA-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000618468260 676340896 /nfs/dbraw/zinc/34/08/96/676340896.db2.gz FNCVFLRWXHXLHA-SECBINFHSA-N -1 1 350.766 2.090 20 5 FEBDMM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000832124802 680098322 /nfs/dbraw/zinc/09/83/22/680098322.db2.gz PDQCLTAEXMPXRX-GFCCVEGCSA-N -1 1 354.787 2.481 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000832233264 680113156 /nfs/dbraw/zinc/11/31/56/680113156.db2.gz XJWYEWQCVAIEEA-DOMZBBRYSA-N -1 1 374.846 2.324 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H](C)O ZINC000832308760 680122352 /nfs/dbraw/zinc/12/23/52/680122352.db2.gz CWMLFMSUUKQEDK-POYBYMJQSA-N -1 1 357.215 2.339 20 5 FEBDMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832511253 680141719 /nfs/dbraw/zinc/14/17/19/680141719.db2.gz QOTBWKPKDXBFGC-LLVKDONJSA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000841535949 680893929 /nfs/dbraw/zinc/89/39/29/680893929.db2.gz XJEUUMHOWGYKGB-JGVFFNPUSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c1Cl ZINC000849419576 681725941 /nfs/dbraw/zinc/72/59/41/681725941.db2.gz PCKMJAUYBBJYIT-VIFPVBQESA-N -1 1 369.226 2.341 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)cc1Cl ZINC000849448416 681740047 /nfs/dbraw/zinc/74/00/47/681740047.db2.gz YTJGJXUKDXUHPJ-MRVPVSSYSA-N -1 1 364.782 2.377 20 5 FEBDMM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796102170 683128030 /nfs/dbraw/zinc/12/80/30/683128030.db2.gz DUDKNOZLKXFVTL-BDJLRTHQSA-N -1 1 368.386 2.443 20 5 FEBDMM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000796242014 683144721 /nfs/dbraw/zinc/14/47/21/683144721.db2.gz ZUNZCGQQJCCCEG-JOCHJYFZSA-N -1 1 374.465 2.013 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1F ZINC000866861279 684169827 /nfs/dbraw/zinc/16/98/27/684169827.db2.gz KGRVTEPGYUBFCN-CUOATXAZSA-N -1 1 358.391 2.134 20 5 FEBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031555933 539910498 /nfs/dbraw/zinc/91/04/98/539910498.db2.gz PZWQSAZNUHNGNI-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC(C)CC1 ZINC000066000999 541277266 /nfs/dbraw/zinc/27/72/66/541277266.db2.gz ZBFNGHZPAJJERM-UHFFFAOYSA-N -1 1 362.429 2.057 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)s1 ZINC000066001642 541277776 /nfs/dbraw/zinc/27/77/76/541277776.db2.gz FIVLFFKZSLOHHT-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000068423413 541590066 /nfs/dbraw/zinc/59/00/66/541590066.db2.gz YBEYBOJTPAAXAU-UHFFFAOYSA-N -1 1 354.248 2.325 20 5 FEBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000135965181 544364130 /nfs/dbraw/zinc/36/41/30/544364130.db2.gz RYFFWRIEZJYNBC-UHFFFAOYSA-N -1 1 369.786 2.409 20 5 FEBDMM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nn[n-]n1 ZINC000136704826 544377275 /nfs/dbraw/zinc/37/72/75/544377275.db2.gz CVHCOEZZVMKJIK-SNVBAGLBSA-N -1 1 369.179 2.142 20 5 FEBDMM CCCCCc1nnc([N-]C(=O)c2ccnc(NC)c2[N+](=O)[O-])s1 ZINC000552916328 674229770 /nfs/dbraw/zinc/22/97/70/674229770.db2.gz JSBDMBXNHVUSHG-UHFFFAOYSA-N -1 1 350.404 2.868 20 5 FEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000187098424 328001964 /nfs/dbraw/zinc/00/19/64/328001964.db2.gz NRPHAJBSKYDDNV-OAHLLOKOSA-N -1 1 356.382 2.436 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000187555828 328033260 /nfs/dbraw/zinc/03/32/60/328033260.db2.gz ZGOYLCGHPXAFQL-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000188543880 328093881 /nfs/dbraw/zinc/09/38/81/328093881.db2.gz SJMNZSDYQHSHIE-YUMQZZPRSA-N -1 1 367.221 2.059 20 5 FEBDMM O=C(c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000014413727 324379276 /nfs/dbraw/zinc/37/92/76/324379276.db2.gz XLPFUEPEYJFYLM-UHFFFAOYSA-N -1 1 355.350 2.431 20 5 FEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000119675752 326186844 /nfs/dbraw/zinc/18/68/44/326186844.db2.gz ZDMYZYZUVQYKMW-UHFFFAOYSA-N -1 1 362.346 2.162 20 5 FEBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000121694160 326358474 /nfs/dbraw/zinc/35/84/74/326358474.db2.gz WHRWVQBCAVIAKQ-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21 ZINC000167500784 327085161 /nfs/dbraw/zinc/08/51/61/327085161.db2.gz JBSDRPXGOBVSLV-ONGXEEELSA-N -1 1 354.409 2.499 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-n2cccn2)cc1 ZINC000173339503 327250667 /nfs/dbraw/zinc/25/06/67/327250667.db2.gz JEPXSAWVMOSLOO-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)o1 ZINC000175349793 327388637 /nfs/dbraw/zinc/38/86/37/327388637.db2.gz FZGSFGNGNDZHKX-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000555333287 674357174 /nfs/dbraw/zinc/35/71/74/674357174.db2.gz ZDKYBTGJJWRJCW-JTQLQIEISA-N -1 1 351.388 2.126 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000160235938 546020137 /nfs/dbraw/zinc/02/01/37/546020137.db2.gz AQBKUIJHUKLQHG-HNNXBMFYSA-N -1 1 353.338 2.246 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2(CCOC)CCCCC2)c([N+](=O)[O-])n1 ZINC000478784505 561174767 /nfs/dbraw/zinc/17/47/67/561174767.db2.gz YZDLBXVHTSEDJB-UHFFFAOYSA-N -1 1 374.463 2.077 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000181081115 547245989 /nfs/dbraw/zinc/24/59/89/547245989.db2.gz YHFNUCIVNCSTKS-UHFFFAOYSA-N -1 1 359.360 2.419 20 5 FEBDMM COC(=O)c1cnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]1 ZINC000484558801 561299865 /nfs/dbraw/zinc/29/98/65/561299865.db2.gz QTKDWXUCUHRQGO-GFCCVEGCSA-N -1 1 362.367 2.002 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000484558801 561299866 /nfs/dbraw/zinc/29/98/66/561299866.db2.gz QTKDWXUCUHRQGO-GFCCVEGCSA-N -1 1 362.367 2.002 20 5 FEBDMM O=C(NCCCOc1cccc2cccnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484750063 561305238 /nfs/dbraw/zinc/30/52/38/561305238.db2.gz ICHAHYCENBLGTO-UHFFFAOYSA-N -1 1 368.349 2.443 20 5 FEBDMM C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644501 548965177 /nfs/dbraw/zinc/96/51/77/548965177.db2.gz LFKUIUVBCGSMED-WMLDXEAASA-N -1 1 361.423 2.319 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000247024337 549267867 /nfs/dbraw/zinc/26/78/67/549267867.db2.gz NBEVTUIZCGNJPZ-XJKSGUPXSA-N -1 1 370.409 2.336 20 5 FEBDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274916328 550564914 /nfs/dbraw/zinc/56/49/14/550564914.db2.gz WCTKSTSJMVYUSN-NSHDSACASA-N -1 1 372.381 2.154 20 5 FEBDMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccnc1-2 ZINC000279946720 550945940 /nfs/dbraw/zinc/94/59/40/550945940.db2.gz XKYVUECEJKCVBD-STZFKDTASA-N -1 1 366.381 2.103 20 5 FEBDMM COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285370095 551745049 /nfs/dbraw/zinc/74/50/49/551745049.db2.gz QWFQSBDRTOYLOV-UHFFFAOYSA-N -1 1 371.393 2.034 20 5 FEBDMM C[C@H](CO)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000286449782 551886683 /nfs/dbraw/zinc/88/66/83/551886683.db2.gz MXINYYMYZQFTCO-GFCCVEGCSA-N -1 1 365.411 2.213 20 5 FEBDMM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289274986 552293471 /nfs/dbraw/zinc/29/34/71/552293471.db2.gz DNKCEONWATWVEJ-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2=CCCOC2)cc1Cl ZINC000289690122 552362336 /nfs/dbraw/zinc/36/23/36/552362336.db2.gz CYDYVCDJJFRSJD-UHFFFAOYSA-N -1 1 350.755 2.012 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290703970 552523014 /nfs/dbraw/zinc/52/30/14/552523014.db2.gz NSIAVNVCYFJKSJ-JTQLQIEISA-N -1 1 361.320 2.498 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291331575 552615757 /nfs/dbraw/zinc/61/57/57/552615757.db2.gz VQBNDRYTCWUAFC-LJQANCHMSA-N -1 1 371.393 2.153 20 5 FEBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330450664 554123225 /nfs/dbraw/zinc/12/32/25/554123225.db2.gz JDQPYUMVTXXOME-MNOVXSKESA-N -1 1 362.477 2.154 20 5 FEBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000510261590 561830113 /nfs/dbraw/zinc/83/01/13/561830113.db2.gz ZASTXTHZNLREBY-UHFFFAOYSA-N -1 1 352.350 2.146 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)s1 ZINC000350831182 554816578 /nfs/dbraw/zinc/81/65/78/554816578.db2.gz FANAQDPERDXNBT-UHFFFAOYSA-N -1 1 372.409 2.246 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000360349356 554872216 /nfs/dbraw/zinc/87/22/16/554872216.db2.gz ZUAFXKMSFJADRE-SNVBAGLBSA-N -1 1 356.791 2.327 20 5 FEBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000362665800 554979123 /nfs/dbraw/zinc/97/91/23/554979123.db2.gz MGCLSIMGVNZZHL-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM O=C1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2N1 ZINC000362865126 554994473 /nfs/dbraw/zinc/99/44/73/554994473.db2.gz YVWDTSDIFINDNM-SECBINFHSA-N -1 1 367.408 2.061 20 5 FEBDMM CCOC(=O)c1ccnc([N-]c2cnn(C[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000363241315 555061603 /nfs/dbraw/zinc/06/16/03/555061603.db2.gz HIRITSNWJVGRCV-LBPRGKRZSA-N -1 1 361.358 2.286 20 5 FEBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Nc1cccc2ccccc21 ZINC000513327605 561933741 /nfs/dbraw/zinc/93/37/41/561933741.db2.gz KOJTWQLWUCPXRC-UHFFFAOYSA-N -1 1 366.333 2.217 20 5 FEBDMM CCCCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000515214326 562000957 /nfs/dbraw/zinc/00/09/57/562000957.db2.gz YHMOKSFPIRMHPI-UHFFFAOYSA-N -1 1 372.381 2.155 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]c1-c1ccncc1 ZINC000371317973 557143794 /nfs/dbraw/zinc/14/37/94/557143794.db2.gz UQBMHMAZRSGHPB-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM CN1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000517943149 562101238 /nfs/dbraw/zinc/10/12/38/562101238.db2.gz NALKCBHQJAHKJH-OAHLLOKOSA-N -1 1 356.382 2.051 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000373580206 557722120 /nfs/dbraw/zinc/72/21/20/557722120.db2.gz BTBRXWAWWHGMAY-ZDUSSCGKSA-N -1 1 371.349 2.444 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1F ZINC000396503564 558623086 /nfs/dbraw/zinc/62/30/86/558623086.db2.gz TUBKTXLEOSOLSZ-UHFFFAOYSA-N -1 1 354.315 2.374 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000524728137 562233291 /nfs/dbraw/zinc/23/32/91/562233291.db2.gz MUXWWAYDZNJWPT-VIFPVBQESA-N -1 1 357.338 2.350 20 5 FEBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525128932 562241033 /nfs/dbraw/zinc/24/10/33/562241033.db2.gz SOIMALYQNXHWOH-UHFFFAOYSA-N -1 1 351.384 2.005 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000427991866 559767091 /nfs/dbraw/zinc/76/70/91/559767091.db2.gz ACQANLXFANXFDY-UHFFFAOYSA-N -1 1 356.338 2.052 20 5 FEBDMM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000433460889 559882171 /nfs/dbraw/zinc/88/21/71/559882171.db2.gz CHWQQNPWBTVUOM-UHFFFAOYSA-N -1 1 362.429 2.201 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000436968845 559957918 /nfs/dbraw/zinc/95/79/18/559957918.db2.gz VYALRRKFOXAVIJ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])n[nH]2)cc1 ZINC000436968845 559957919 /nfs/dbraw/zinc/95/79/19/559957919.db2.gz VYALRRKFOXAVIJ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443308442 560078789 /nfs/dbraw/zinc/07/87/89/560078789.db2.gz QICGATGEZGBRCI-ZANVPECISA-N -1 1 350.824 2.324 20 5 FEBDMM CC[C@H](C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000472931343 561038171 /nfs/dbraw/zinc/03/81/71/561038171.db2.gz HFYBGZAAVWVNCG-CABZTGNLSA-N -1 1 353.375 2.182 20 5 FEBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000530617936 562418005 /nfs/dbraw/zinc/41/80/05/562418005.db2.gz WLEQUFIOGLGQEC-ZDUSSCGKSA-N -1 1 357.432 2.254 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])n1 ZINC000532853137 562490541 /nfs/dbraw/zinc/49/05/41/562490541.db2.gz INCHKAXZLHBZAQ-LBPRGKRZSA-N -1 1 370.818 2.430 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCCCCN2CCOCC2)cc1Cl ZINC000740096741 600944286 /nfs/dbraw/zinc/94/42/86/600944286.db2.gz PMXCAETUKSQWOU-UHFFFAOYSA-N -1 1 357.794 2.471 20 5 FEBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826225 674513326 /nfs/dbraw/zinc/51/33/26/674513326.db2.gz WMLOZIMTTSWSLH-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1(C)C ZINC000809825525 674513427 /nfs/dbraw/zinc/51/34/27/674513427.db2.gz PYNNCTYZMUEXIE-NEPJUHHUSA-N -1 1 366.798 2.479 20 5 FEBDMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000833150323 604368603 /nfs/dbraw/zinc/36/86/03/604368603.db2.gz KEXCOBQHKBSTNC-MRXNPFEDSA-N -1 1 369.333 2.207 20 5 FEBDMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000833732594 605680183 /nfs/dbraw/zinc/68/01/83/605680183.db2.gz VBVMAVLXCMHWRJ-HNNXBMFYSA-N -1 1 360.322 2.255 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ccc1-c1nn[n-]n1 ZINC000823634804 606645123 /nfs/dbraw/zinc/64/51/23/606645123.db2.gz MJKCSLYBAPJBIA-INIZCTEOSA-N -1 1 370.344 2.492 20 5 FEBDMM CCN(CC)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821197477 606698111 /nfs/dbraw/zinc/69/81/11/606698111.db2.gz LMXOKIOVRYGWCG-UHFFFAOYSA-N -1 1 355.362 2.155 20 5 FEBDMM CCN(CC)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821197477 606698113 /nfs/dbraw/zinc/69/81/13/606698113.db2.gz LMXOKIOVRYGWCG-UHFFFAOYSA-N -1 1 355.362 2.155 20 5 FEBDMM Cc1csc([C@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822409112 606705372 /nfs/dbraw/zinc/70/53/72/606705372.db2.gz MHCXZIYQELVLAM-SNVBAGLBSA-N -1 1 358.387 2.276 20 5 FEBDMM Cc1csc([C@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822409112 606705374 /nfs/dbraw/zinc/70/53/74/606705374.db2.gz MHCXZIYQELVLAM-SNVBAGLBSA-N -1 1 358.387 2.276 20 5 FEBDMM CCc1nnc(Oc2ccc(OC)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821547998 606915724 /nfs/dbraw/zinc/91/57/24/606915724.db2.gz FSPBSWKZZGUREK-UHFFFAOYSA-N -1 1 371.357 2.491 20 5 FEBDMM CCc1nnc(Oc2ccc(OC)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821547998 606915726 /nfs/dbraw/zinc/91/57/26/606915726.db2.gz FSPBSWKZZGUREK-UHFFFAOYSA-N -1 1 371.357 2.491 20 5 FEBDMM CCSc1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000821461923 607162391 /nfs/dbraw/zinc/16/23/91/607162391.db2.gz VZFBTEOCNKDODA-UHFFFAOYSA-N -1 1 368.429 2.285 20 5 FEBDMM CCSc1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000821461923 607162393 /nfs/dbraw/zinc/16/23/93/607162393.db2.gz VZFBTEOCNKDODA-UHFFFAOYSA-N -1 1 368.429 2.285 20 5 FEBDMM O=[N+]([O-])c1cc2c(cc1Oc1cccc(F)c1-c1nnn[n-]1)OCCO2 ZINC000826498203 607867396 /nfs/dbraw/zinc/86/73/96/607867396.db2.gz LGIGDLXIIWZFAR-UHFFFAOYSA-N -1 1 359.273 2.478 20 5 FEBDMM O=[N+]([O-])c1cc2c(cc1Oc1cccc(F)c1-c1nn[n-]n1)OCCO2 ZINC000826498203 607867397 /nfs/dbraw/zinc/86/73/97/607867397.db2.gz LGIGDLXIIWZFAR-UHFFFAOYSA-N -1 1 359.273 2.478 20 5 FEBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826472240 607957099 /nfs/dbraw/zinc/95/70/99/607957099.db2.gz DIFQSXWZYCBSFR-UHFFFAOYSA-N -1 1 356.367 2.035 20 5 FEBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826472240 607957100 /nfs/dbraw/zinc/95/71/00/607957100.db2.gz DIFQSXWZYCBSFR-UHFFFAOYSA-N -1 1 356.367 2.035 20 5 FEBDMM CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C(=O)[O-])C1 ZINC000563456253 674891068 /nfs/dbraw/zinc/89/10/68/674891068.db2.gz UHLMGZBKIXNKKZ-GJZGRUSLSA-N -1 1 352.387 2.446 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029250 674902321 /nfs/dbraw/zinc/90/23/21/674902321.db2.gz PJCHWXSCZNHOFB-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029757 674902346 /nfs/dbraw/zinc/90/23/46/674902346.db2.gz XLQYNOUSSUZIIU-HTQZYQBOSA-N -1 1 352.771 2.233 20 5 FEBDMM O=C([O-])C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000564051087 674967600 /nfs/dbraw/zinc/96/76/00/674967600.db2.gz AEILERILBFIANR-UHFFFAOYSA-N -1 1 369.182 2.045 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000066001484 670436021 /nfs/dbraw/zinc/43/60/21/670436021.db2.gz GYMLOZYKBFRHJD-UHFFFAOYSA-N -1 1 357.369 2.086 20 5 FEBDMM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nn1 ZINC000817154027 675106449 /nfs/dbraw/zinc/10/64/49/675106449.db2.gz KYCDSPZGBUVWDG-UHFFFAOYSA-N -1 1 371.394 2.120 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CC3CCC2CC3)c([N+](=O)[O-])n1 ZINC000577617041 671608581 /nfs/dbraw/zinc/60/85/81/671608581.db2.gz NTUXMYJSYDGTGX-IKWCTNDRSA-N -1 1 356.448 2.304 20 5 FEBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119594718 671903058 /nfs/dbraw/zinc/90/30/58/671903058.db2.gz XAKIMEXDFAVAPE-UHFFFAOYSA-N -1 1 357.413 2.317 20 5 FEBDMM CCN(CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000582608833 672018160 /nfs/dbraw/zinc/01/81/60/672018160.db2.gz CXDGHKCEMWOSOD-UHFFFAOYSA-N -1 1 350.297 2.374 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1[N+](=O)[O-] ZINC000172182669 672340006 /nfs/dbraw/zinc/34/00/06/672340006.db2.gz XSMUMSLDXIPQCX-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611021970 676011623 /nfs/dbraw/zinc/01/16/23/676011623.db2.gz NXTPINRKKYXEMJ-JQWIXIFHSA-N -1 1 356.425 2.099 20 5 FEBDMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611021971 676011629 /nfs/dbraw/zinc/01/16/29/676011629.db2.gz NXTPINRKKYXEMJ-PWSUYJOCSA-N -1 1 356.425 2.099 20 5 FEBDMM C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000590899714 672630530 /nfs/dbraw/zinc/63/05/30/672630530.db2.gz FRIQEZMJUXHIJY-NTSWFWBYSA-N -1 1 371.198 2.289 20 5 FEBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC000594747306 673127907 /nfs/dbraw/zinc/12/79/07/673127907.db2.gz VZTQQLMAANROHF-HNNXBMFYSA-N -1 1 363.395 2.428 20 5 FEBDMM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594747359 673127965 /nfs/dbraw/zinc/12/79/65/673127965.db2.gz XKEPSSBKGKUSCS-UHFFFAOYSA-N -1 1 365.411 2.393 20 5 FEBDMM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000594790718 673143469 /nfs/dbraw/zinc/14/34/69/673143469.db2.gz GNYXRRRRNLKSBY-CYBMUJFWSA-N -1 1 370.406 2.250 20 5 FEBDMM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594800842 673147561 /nfs/dbraw/zinc/14/75/61/673147561.db2.gz HZJWCADNFSKFCX-NSHDSACASA-N -1 1 353.375 2.347 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000538754072 673455930 /nfs/dbraw/zinc/45/59/30/673455930.db2.gz XEUTYMFTDQUEDQ-UHFFFAOYSA-N -1 1 350.352 2.475 20 5 FEBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599245255 673647882 /nfs/dbraw/zinc/64/78/82/673647882.db2.gz RLIDEZYVMUMCGO-AWEZNQCLSA-N -1 1 350.400 2.066 20 5 FEBDMM Cc1cc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000599268588 673651321 /nfs/dbraw/zinc/65/13/21/673651321.db2.gz GBSRPEYHMDFIFB-AWEZNQCLSA-N -1 1 368.390 2.205 20 5 FEBDMM COC(=O)[C@](C)([N-]S(=O)(=O)CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599483088 673681752 /nfs/dbraw/zinc/68/17/52/673681752.db2.gz ARZUHWKLNSGWLK-MRXNPFEDSA-N -1 1 370.427 2.093 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000566779086 675242036 /nfs/dbraw/zinc/24/20/36/675242036.db2.gz XWFNGTXTUUOPFL-ZDUSSCGKSA-N -1 1 351.359 2.485 20 5 FEBDMM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819966468 675327943 /nfs/dbraw/zinc/32/79/43/675327943.db2.gz VPJOKXFHDYNBMB-SECBINFHSA-N -1 1 352.734 2.357 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@H]1CCCCO1 ZINC000820720807 675381948 /nfs/dbraw/zinc/38/19/48/675381948.db2.gz SBDXATNEFDMTRD-ZDUSSCGKSA-N -1 1 364.807 2.070 20 5 FEBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828071069 675796143 /nfs/dbraw/zinc/79/61/43/675796143.db2.gz LTAKXSATZBMGFV-RKDXNWHRSA-N -1 1 368.814 2.463 20 5 FEBDMM CO[C@H](C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000829812021 677013832 /nfs/dbraw/zinc/01/38/32/677013832.db2.gz NAMFMZVBAWLUIS-SSDOTTSWSA-N -1 1 353.194 2.134 20 5 FEBDMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000832180879 680106914 /nfs/dbraw/zinc/10/69/14/680106914.db2.gz WEJVHOIGHFGWFW-AAEUAGOBSA-N -1 1 360.407 2.463 20 5 FEBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832283683 680120045 /nfs/dbraw/zinc/12/00/45/680120045.db2.gz HEVOKWUBRGBOLQ-MWLCHTKSSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751403459 680171766 /nfs/dbraw/zinc/17/17/66/680171766.db2.gz JVSLTPMZFJWZRZ-FZMZJTMJSA-N -1 1 368.386 2.177 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000760324263 680682854 /nfs/dbraw/zinc/68/28/54/680682854.db2.gz ZFRVNPJYKRGOAD-UHFFFAOYSA-N -1 1 367.343 2.213 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)O1 ZINC000841560475 680898066 /nfs/dbraw/zinc/89/80/66/680898066.db2.gz MCFFQDHYHMSPPU-HLTSFMKQSA-N -1 1 366.798 2.479 20 5 FEBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768709663 680955859 /nfs/dbraw/zinc/95/58/59/680955859.db2.gz FDBKKIWNSCOVNT-CYBMUJFWSA-N -1 1 358.745 2.281 20 5 FEBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000775737545 681330582 /nfs/dbraw/zinc/33/05/82/681330582.db2.gz PHQKFARCRYPFTC-CYBMUJFWSA-N -1 1 362.835 2.324 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(Cl)cc1Cl ZINC000849419874 681725841 /nfs/dbraw/zinc/72/58/41/681725841.db2.gz PYBGQUKUVVINAP-SNVBAGLBSA-N -1 1 369.226 2.341 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(Cl)cc1Cl ZINC000849419873 681726142 /nfs/dbraw/zinc/72/61/42/681726142.db2.gz PYBGQUKUVVINAP-JTQLQIEISA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nccn1C ZINC000851855633 682163942 /nfs/dbraw/zinc/16/39/42/682163942.db2.gz RPGXACXYKXQUMS-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000784487403 682232668 /nfs/dbraw/zinc/23/26/68/682232668.db2.gz RLPHYMFUHGEAFF-UONOGXRCSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918195532 685537910 /nfs/dbraw/zinc/53/79/10/685537910.db2.gz XZWFTPIWFOGDAD-NSHDSACASA-N -1 1 354.359 2.480 20 5 FEBDMM Cc1occc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790835116 682705342 /nfs/dbraw/zinc/70/53/42/682705342.db2.gz GXJHDFMMDFWKJB-UHFFFAOYSA-N -1 1 369.355 2.500 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000791412144 682741445 /nfs/dbraw/zinc/74/14/45/682741445.db2.gz VOVLQMJOQOXLOB-UHFFFAOYSA-N -1 1 351.315 2.354 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800156732 674027225 /nfs/dbraw/zinc/02/72/25/674027225.db2.gz HXENTRBRLPLFEY-GFCCVEGCSA-N -1 1 353.787 2.089 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000032592725 539944370 /nfs/dbraw/zinc/94/43/70/539944370.db2.gz MTQPRWFBNHUQKE-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928159 674090625 /nfs/dbraw/zinc/09/06/25/674090625.db2.gz JZVWHVNCWQUKCM-UHFFFAOYSA-N -1 1 368.342 2.462 20 5 FEBDMM O=C(NCCc1ccc(Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187020654 327997543 /nfs/dbraw/zinc/99/75/43/327997543.db2.gz SPVGXBXIFXMMPC-UHFFFAOYSA-N -1 1 372.200 2.492 20 5 FEBDMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193826596 328397503 /nfs/dbraw/zinc/39/75/03/328397503.db2.gz IBHCLOAEYQGDGJ-TZMCWYRMSA-N -1 1 365.292 2.234 20 5 FEBDMM CN1CCN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000092546865 325418963 /nfs/dbraw/zinc/41/89/63/325418963.db2.gz ZZXYQLUEYPXTPE-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000170659873 327092023 /nfs/dbraw/zinc/09/20/23/327092023.db2.gz ADBPDMOHWWDJHO-QMMMGPOBSA-N -1 1 358.807 2.330 20 5 FEBDMM CN(C)c1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc2n1 ZINC000173354874 327251699 /nfs/dbraw/zinc/25/16/99/327251699.db2.gz JBZBKMLRZBJWEQ-UHFFFAOYSA-N -1 1 367.365 2.240 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000174524929 327332566 /nfs/dbraw/zinc/33/25/66/327332566.db2.gz HTYUOALQEAGUSH-AWEZNQCLSA-N -1 1 357.366 2.374 20 5 FEBDMM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178562523 327592297 /nfs/dbraw/zinc/59/22/97/327592297.db2.gz RKZOADDLTOAHSK-NSHDSACASA-N -1 1 350.824 2.324 20 5 FEBDMM CC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000555413919 674359966 /nfs/dbraw/zinc/35/99/66/674359966.db2.gz QXYCZEYWOAYQPD-UHFFFAOYSA-N -1 1 359.148 2.291 20 5 FEBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000156037903 545594621 /nfs/dbraw/zinc/59/46/21/545594621.db2.gz IVVUAEKJBPAJFO-UHFFFAOYSA-N -1 1 369.399 2.195 20 5 FEBDMM O=c1cc(C(F)(F)F)nc(SCCn2cc([N+](=O)[O-])ccc2=O)[n-]1 ZINC000160138145 546011550 /nfs/dbraw/zinc/01/15/50/546011550.db2.gz VOZAJNQPLZVDNO-UHFFFAOYSA-N -1 1 362.289 2.063 20 5 FEBDMM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000180883288 547202060 /nfs/dbraw/zinc/20/20/60/547202060.db2.gz BQBFWZGSDFKPFM-UHFFFAOYSA-N -1 1 373.348 2.371 20 5 FEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000182729397 547542453 /nfs/dbraw/zinc/54/24/53/547542453.db2.gz KBKJZJXIWBGTTF-UHFFFAOYSA-N -1 1 373.394 2.364 20 5 FEBDMM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263658 561294887 /nfs/dbraw/zinc/29/48/87/561294887.db2.gz TXWGVRMPAPXLKC-MRXNPFEDSA-N -1 1 371.349 2.348 20 5 FEBDMM CC(C)C(=O)Nc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484237595 561294221 /nfs/dbraw/zinc/29/42/21/561294221.db2.gz RGCUUIGXOCCDOV-UHFFFAOYSA-N -1 1 358.354 2.220 20 5 FEBDMM COC(=O)c1c[n-]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000484555952 561299889 /nfs/dbraw/zinc/29/98/89/561299889.db2.gz LFGDFWMIFFFFKM-UHFFFAOYSA-N -1 1 361.339 2.447 20 5 FEBDMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193896619 548402286 /nfs/dbraw/zinc/40/22/86/548402286.db2.gz STABCXPHYPPFJI-UHFFFAOYSA-N -1 1 353.338 2.120 20 5 FEBDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615827 548957884 /nfs/dbraw/zinc/95/78/84/548957884.db2.gz CVWJFWCXIUGRKA-SWLSCSKDSA-N -1 1 367.452 2.380 20 5 FEBDMM COc1cccc(N2CCC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000274964624 550568112 /nfs/dbraw/zinc/56/81/12/550568112.db2.gz LXTVDMJYHOBXMK-CYBMUJFWSA-N -1 1 372.381 2.103 20 5 FEBDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277760366 550711135 /nfs/dbraw/zinc/71/11/35/550711135.db2.gz KBYGQPODYSSBIL-UHFFFAOYSA-N -1 1 361.354 2.375 20 5 FEBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000277972027 550734277 /nfs/dbraw/zinc/73/42/77/550734277.db2.gz FEVNPZMULXMESY-SMDDNHRTSA-N -1 1 367.308 2.216 20 5 FEBDMM COC(=O)CCCN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278094541 550748218 /nfs/dbraw/zinc/74/82/18/550748218.db2.gz ITSXEMZVYBKQCN-UHFFFAOYSA-N -1 1 373.365 2.291 20 5 FEBDMM O=C([N-]CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281579260 551115723 /nfs/dbraw/zinc/11/57/23/551115723.db2.gz BIRGVSIZGYHTKU-UHFFFAOYSA-N -1 1 359.304 2.126 20 5 FEBDMM C[C@@H](CCCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289182304 552278699 /nfs/dbraw/zinc/27/86/99/552278699.db2.gz PVBYCORQFGGHSN-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)cc1Cl ZINC000289805066 552380977 /nfs/dbraw/zinc/38/09/77/552380977.db2.gz JSESBIUMFDDCBD-KWQFWETISA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)cc1Cl ZINC000289805069 552381383 /nfs/dbraw/zinc/38/13/83/552381383.db2.gz JSESBIUMFDDCBD-LDYMZIIASA-N -1 1 366.798 2.217 20 5 FEBDMM Cc1csc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC000295356251 552992922 /nfs/dbraw/zinc/99/29/22/552992922.db2.gz KPODBPRITQZWET-MRVPVSSYSA-N -1 1 362.289 2.494 20 5 FEBDMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000502080244 561611515 /nfs/dbraw/zinc/61/15/15/561611515.db2.gz NWLCZNLPKYPOQT-UHFFFAOYSA-N -1 1 352.372 2.327 20 5 FEBDMM C[C@](CO)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000325927279 553778766 /nfs/dbraw/zinc/77/87/66/553778766.db2.gz WLGLJFAWSLYCSE-OAHLLOKOSA-N -1 1 370.814 2.434 20 5 FEBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330450663 554123243 /nfs/dbraw/zinc/12/32/43/554123243.db2.gz JDQPYUMVTXXOME-GHMZBOCLSA-N -1 1 362.477 2.154 20 5 FEBDMM COC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508212794 561755395 /nfs/dbraw/zinc/75/53/95/561755395.db2.gz VZDRTUPDTVUOLW-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000530903701 562428153 /nfs/dbraw/zinc/42/81/53/562428153.db2.gz DXHUPZUUWDZENV-OLZOCXBDSA-N -1 1 357.432 2.252 20 5 FEBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)NCc1cccc(Cl)c1 ZINC000351032629 554831498 /nfs/dbraw/zinc/83/14/98/554831498.db2.gz GMQRGOIUQMILHS-UHFFFAOYSA-N -1 1 361.745 2.485 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000365019371 555465654 /nfs/dbraw/zinc/46/56/54/555465654.db2.gz XSYCNJGOJCVTKV-LBPRGKRZSA-N -1 1 353.338 2.132 20 5 FEBDMM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519168944 562126499 /nfs/dbraw/zinc/12/64/99/562126499.db2.gz VTIROVWZQQVXGO-UHFFFAOYSA-N -1 1 356.260 2.082 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000520307522 562153147 /nfs/dbraw/zinc/15/31/47/562153147.db2.gz HZLHXPSPNKYLQR-JOCHJYFZSA-N -1 1 354.409 2.441 20 5 FEBDMM CCn1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000392091828 558615937 /nfs/dbraw/zinc/61/59/37/558615937.db2.gz BSNAGLGKBIYCKO-UHFFFAOYSA-N -1 1 353.356 2.224 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000525186809 562242277 /nfs/dbraw/zinc/24/22/77/562242277.db2.gz PITLZCWJJYKXJD-UHFFFAOYSA-N -1 1 351.359 2.139 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000525699977 562252633 /nfs/dbraw/zinc/25/26/33/562252633.db2.gz DRTJTYXMVNTWHO-UHFFFAOYSA-N -1 1 353.425 2.409 20 5 FEBDMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000412502044 559039434 /nfs/dbraw/zinc/03/94/34/559039434.db2.gz AZIHJHVHXUYPLB-VIFPVBQESA-N -1 1 351.359 2.030 20 5 FEBDMM CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000423751468 559638346 /nfs/dbraw/zinc/63/83/46/559638346.db2.gz YSXUSRYOWGSAMH-ABAIWWIYSA-N -1 1 357.794 2.425 20 5 FEBDMM CC(C)C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000424958713 559681448 /nfs/dbraw/zinc/68/14/48/559681448.db2.gz XDSGFCQMUGCGRB-GFCCVEGCSA-N -1 1 367.402 2.429 20 5 FEBDMM Cc1noc(C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000430415481 559819766 /nfs/dbraw/zinc/81/97/66/559819766.db2.gz FSZJCPSVRQVTCL-CYBMUJFWSA-N -1 1 369.337 2.101 20 5 FEBDMM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432203685 559854205 /nfs/dbraw/zinc/85/42/05/559854205.db2.gz OTEPSJAVXUNIFB-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM COc1cccc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c1[N+](=O)[O-] ZINC000436010264 559933606 /nfs/dbraw/zinc/93/36/06/559933606.db2.gz GMQPAIDZOAAFBZ-UHFFFAOYSA-N -1 1 360.355 2.406 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000443934467 560096628 /nfs/dbraw/zinc/09/66/28/560096628.db2.gz IVYNELZAKKVRGN-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000445192549 560130503 /nfs/dbraw/zinc/13/05/03/560130503.db2.gz WQEBJEAFFMWPGU-NSHDSACASA-N -1 1 356.342 2.009 20 5 FEBDMM O=C(Cc1noc(-c2cc(F)ccc2[O-])n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445701939 560134003 /nfs/dbraw/zinc/13/40/03/560134003.db2.gz JUDUUKTTXHMQIP-UHFFFAOYSA-N -1 1 372.312 2.348 20 5 FEBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000451585511 560316029 /nfs/dbraw/zinc/31/60/29/560316029.db2.gz BZLKDIUCZCTJKK-JTQLQIEISA-N -1 1 368.367 2.404 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000451643457 560318933 /nfs/dbraw/zinc/31/89/33/560318933.db2.gz UCZOZUIKTKDGAQ-CYBMUJFWSA-N -1 1 364.427 2.210 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451945244 560339804 /nfs/dbraw/zinc/33/98/04/560339804.db2.gz IEOMCFGKSOICAU-WCBMZHEXSA-N -1 1 356.791 2.429 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000468894697 560941620 /nfs/dbraw/zinc/94/16/20/560941620.db2.gz HPUDEBWUYSMEHI-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000468982286 560943924 /nfs/dbraw/zinc/94/39/24/560943924.db2.gz NFEHGCDFZLVTQQ-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476959258 561132945 /nfs/dbraw/zinc/13/29/45/561132945.db2.gz SCUYHLLBJXFUQQ-UHFFFAOYSA-N -1 1 370.408 2.214 20 5 FEBDMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000570241315 568465425 /nfs/dbraw/zinc/46/54/25/568465425.db2.gz PGMFPQBYVGNRSN-NSHDSACASA-N -1 1 365.386 2.279 20 5 FEBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738231320 599186664 /nfs/dbraw/zinc/18/66/64/599186664.db2.gz LLOVPECVTHVRJO-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738231320 599186665 /nfs/dbraw/zinc/18/66/65/599186665.db2.gz LLOVPECVTHVRJO-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826500721 607451474 /nfs/dbraw/zinc/45/14/74/607451474.db2.gz JTUWUJAAOKSLDG-UHFFFAOYSA-N -1 1 370.329 2.207 20 5 FEBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826500721 607451475 /nfs/dbraw/zinc/45/14/75/607451475.db2.gz JTUWUJAAOKSLDG-UHFFFAOYSA-N -1 1 370.329 2.207 20 5 FEBDMM Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)nc12 ZINC000826308342 607454241 /nfs/dbraw/zinc/45/42/41/607454241.db2.gz VFXPFKOUUXPFEY-UHFFFAOYSA-N -1 1 364.369 2.386 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000740094978 602869139 /nfs/dbraw/zinc/86/91/39/602869139.db2.gz XECYFZZRGRSDSC-UHFFFAOYSA-N -1 1 365.367 2.472 20 5 FEBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826228 674513465 /nfs/dbraw/zinc/51/34/65/674513465.db2.gz WMLOZIMTTSWSLH-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809812489 674511330 /nfs/dbraw/zinc/51/13/30/674511330.db2.gz RSZCUYGBWUGOKZ-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815066 674511723 /nfs/dbraw/zinc/51/17/23/674511723.db2.gz OFCABPQJZXIXGF-UHFFFAOYSA-N -1 1 371.198 2.132 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000809833771 674514564 /nfs/dbraw/zinc/51/45/64/674514564.db2.gz YOTPNFSDTWEPNV-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM Cc1nn(CN(C)CC[C@H](NC(=O)[O-])C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000830870990 603922536 /nfs/dbraw/zinc/92/25/36/603922536.db2.gz OYMLYNIBNODODD-AWEZNQCLSA-N -1 1 364.406 2.220 20 5 FEBDMM CC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829159985 604263464 /nfs/dbraw/zinc/26/34/64/604263464.db2.gz BGZSLIADIAWILT-GHMZBOCLSA-N -1 1 371.821 2.228 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097634 604858828 /nfs/dbraw/zinc/85/88/28/604858828.db2.gz VDFRMVKDLOSJJC-LBPRGKRZSA-N -1 1 358.354 2.093 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1C ZINC000538703755 606178108 /nfs/dbraw/zinc/17/81/08/606178108.db2.gz CFXCBYRQWJBBSU-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000823620842 606713109 /nfs/dbraw/zinc/71/31/09/606713109.db2.gz QVFAJAWEHLGTQN-CYBMUJFWSA-N -1 1 351.370 2.239 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000823620842 606713111 /nfs/dbraw/zinc/71/31/11/606713111.db2.gz QVFAJAWEHLGTQN-CYBMUJFWSA-N -1 1 351.370 2.239 20 5 FEBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232301 606719455 /nfs/dbraw/zinc/71/94/55/606719455.db2.gz FQDFHNKUXYFDSL-MFKMUULPSA-N -1 1 355.358 2.094 20 5 FEBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232301 606719457 /nfs/dbraw/zinc/71/94/57/606719457.db2.gz FQDFHNKUXYFDSL-MFKMUULPSA-N -1 1 355.358 2.094 20 5 FEBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823242114 606813094 /nfs/dbraw/zinc/81/30/94/606813094.db2.gz QBCVGYNFXQINCR-UHFFFAOYSA-N -1 1 364.774 2.420 20 5 FEBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823242114 606813096 /nfs/dbraw/zinc/81/30/96/606813096.db2.gz QBCVGYNFXQINCR-UHFFFAOYSA-N -1 1 364.774 2.420 20 5 FEBDMM CC(C)c1nc2c(n1C)CCN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C2 ZINC000824364642 607841775 /nfs/dbraw/zinc/84/17/75/607841775.db2.gz OGRMAKFYSBMQQH-UHFFFAOYSA-N -1 1 368.401 2.195 20 5 FEBDMM CN(Cc1cc(F)c(F)c(F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825953294 609171336 /nfs/dbraw/zinc/17/13/36/609171336.db2.gz DCHPLBDFYBYFPP-UHFFFAOYSA-N -1 1 365.275 2.224 20 5 FEBDMM CN(Cc1cc(F)c(F)c(F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825953294 609171338 /nfs/dbraw/zinc/17/13/38/609171338.db2.gz DCHPLBDFYBYFPP-UHFFFAOYSA-N -1 1 365.275 2.224 20 5 FEBDMM CC(C)n1cc2c(n1)[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000824371683 609171729 /nfs/dbraw/zinc/17/17/29/609171729.db2.gz OAQXOZNNDBEVBQ-GFCCVEGCSA-N -1 1 369.389 2.437 20 5 FEBDMM CC(C)n1cc2c(n1)[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000824371683 609171730 /nfs/dbraw/zinc/17/17/30/609171730.db2.gz OAQXOZNNDBEVBQ-GFCCVEGCSA-N -1 1 369.389 2.437 20 5 FEBDMM CO[C@H]1Cc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2C1 ZINC000826146828 609593145 /nfs/dbraw/zinc/59/31/45/609593145.db2.gz FIMWSOQQEFOZJD-LBPRGKRZSA-N -1 1 353.342 2.027 20 5 FEBDMM CO[C@H]1Cc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2C1 ZINC000826146828 609593146 /nfs/dbraw/zinc/59/31/46/609593146.db2.gz FIMWSOQQEFOZJD-LBPRGKRZSA-N -1 1 353.342 2.027 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000562435071 674756115 /nfs/dbraw/zinc/75/61/15/674756115.db2.gz GQQCPGAWPRISKS-MJHDQNEOSA-N -1 1 369.349 2.493 20 5 FEBDMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017020 674897129 /nfs/dbraw/zinc/89/71/29/674897129.db2.gz CZJNDFBGZFVDOW-RDDDGLTNSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOC1CCC1 ZINC000815019838 674898522 /nfs/dbraw/zinc/89/85/22/674898522.db2.gz UCYDSHMCHRRRFP-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026038 674901325 /nfs/dbraw/zinc/90/13/25/674901325.db2.gz BQJRFWOIHCGIEB-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609920990 675943247 /nfs/dbraw/zinc/94/32/47/675943247.db2.gz BIESDZXIXLPEGL-ZDUSSCGKSA-N -1 1 358.745 2.281 20 5 FEBDMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262406 675962225 /nfs/dbraw/zinc/96/22/25/675962225.db2.gz QWXWQALRNGJVAN-UHFFFAOYSA-N -1 1 360.395 2.301 20 5 FEBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000134491852 672123226 /nfs/dbraw/zinc/12/32/26/672123226.db2.gz OTRLZJNWPRNIHZ-CYBMUJFWSA-N -1 1 354.359 2.054 20 5 FEBDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000178382422 672391283 /nfs/dbraw/zinc/39/12/83/672391283.db2.gz OAWVMYBKGWFWKH-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000178625574 672393355 /nfs/dbraw/zinc/39/33/55/672393355.db2.gz WFIJVSWLVCYUOQ-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178776269 672395154 /nfs/dbraw/zinc/39/51/54/672395154.db2.gz IHWMFNSUUVQAJK-SNVBAGLBSA-N -1 1 350.824 2.324 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@](C)(CC)c2nc(C)cs2)c([N+](=O)[O-])n1 ZINC000611109020 676018357 /nfs/dbraw/zinc/01/83/57/676018357.db2.gz ZIAYTNBYVOMMSS-CYBMUJFWSA-N -1 1 373.460 2.180 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(CO)cc1 ZINC000611416994 676036390 /nfs/dbraw/zinc/03/63/90/676036390.db2.gz DOFMONVXDYLGTD-UHFFFAOYSA-N -1 1 370.814 2.262 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)s1 ZINC000590764549 672615155 /nfs/dbraw/zinc/61/51/55/672615155.db2.gz OXKITBXABBOMTA-UHFFFAOYSA-N -1 1 356.372 2.485 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246062355 672829142 /nfs/dbraw/zinc/82/91/42/672829142.db2.gz WKBGGIIIJIDARW-DMDPSCGWSA-N -1 1 360.819 2.484 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3C)CCC2)c([N+](=O)[O-])n1 ZINC000593615560 672959093 /nfs/dbraw/zinc/95/90/93/672959093.db2.gz AOIXAOQCIGGYQC-UHFFFAOYSA-N -1 1 364.427 2.477 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594486445 673090012 /nfs/dbraw/zinc/09/00/12/673090012.db2.gz FZKOSLCHPGFVOL-CMPLNLGQSA-N -1 1 368.333 2.373 20 5 FEBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594752294 673129447 /nfs/dbraw/zinc/12/94/47/673129447.db2.gz NXPFHZWQQKPCNX-LLVKDONJSA-N -1 1 351.384 2.428 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC)c1 ZINC000594832513 673155841 /nfs/dbraw/zinc/15/58/41/673155841.db2.gz ZDNZZOBECYQUIO-LBPRGKRZSA-N -1 1 372.424 2.331 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000731037962 673298900 /nfs/dbraw/zinc/29/89/00/673298900.db2.gz VDOILXVJWGOHOJ-MRVPVSSYSA-N -1 1 364.807 2.257 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000734890477 673475551 /nfs/dbraw/zinc/47/55/51/673475551.db2.gz USLUIQYMFHIWNR-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OC)c1 ZINC000599363020 673664170 /nfs/dbraw/zinc/66/41/70/673664170.db2.gz NTYWPSBEOVPSCP-LBPRGKRZSA-N -1 1 372.424 2.331 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)c([N+](=O)[O-])n1 ZINC000599411932 673671952 /nfs/dbraw/zinc/67/19/52/673671952.db2.gz LTTULOFIDLSTRJ-CQSZACIVSA-N -1 1 365.415 2.026 20 5 FEBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)c1 ZINC000599465844 673678911 /nfs/dbraw/zinc/67/89/11/673678911.db2.gz TXNHWCZSWCHBLU-AWEZNQCLSA-N -1 1 352.416 2.312 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000763084462 680771635 /nfs/dbraw/zinc/77/16/35/680771635.db2.gz BUVFDAZTNNVMQU-UHFFFAOYSA-N -1 1 371.302 2.452 20 5 FEBDMM CC(C)(C)CN1CCC[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC000764555232 680814511 /nfs/dbraw/zinc/81/45/11/680814511.db2.gz KRDBSNVGZFHWPC-AWEZNQCLSA-N -1 1 350.371 2.494 20 5 FEBDMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831158808 679937359 /nfs/dbraw/zinc/93/73/59/679937359.db2.gz MBOAAMYTJWYONU-RKDXNWHRSA-N -1 1 369.226 2.339 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751434765 680174464 /nfs/dbraw/zinc/17/44/64/680174464.db2.gz GXGXYGYOFQYIQG-JTQLQIEISA-N -1 1 360.388 2.197 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000757352303 680522640 /nfs/dbraw/zinc/52/26/40/680522640.db2.gz UCLLSUVTLZEBLJ-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768807595 680959043 /nfs/dbraw/zinc/95/90/43/680959043.db2.gz MXSVADXVGKTPOG-UHFFFAOYSA-N -1 1 369.424 2.483 20 5 FEBDMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2N1 ZINC000768865766 680962340 /nfs/dbraw/zinc/96/23/40/680962340.db2.gz NPUXVMJDZFNESI-UHFFFAOYSA-N -1 1 371.371 2.481 20 5 FEBDMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000769046698 680969016 /nfs/dbraw/zinc/96/90/16/680969016.db2.gz KPDYGAPLHJOSGE-UEKVPHQBSA-N -1 1 350.371 2.398 20 5 FEBDMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000775723927 681328432 /nfs/dbraw/zinc/32/84/32/681328432.db2.gz IFJQDRCVRNQFAH-BONVTDFDSA-N -1 1 374.390 2.134 20 5 FEBDMM CO[C@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000848583904 681583417 /nfs/dbraw/zinc/58/34/17/681583417.db2.gz ZYLUYGWSYUAUMI-SECBINFHSA-N -1 1 358.219 2.260 20 5 FEBDMM CN(CC1CCCCC1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076709 681789910 /nfs/dbraw/zinc/78/99/10/681789910.db2.gz VJFRANBDBHHQDD-UHFFFAOYSA-N -1 1 350.371 2.496 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000915416947 685515045 /nfs/dbraw/zinc/51/50/45/685515045.db2.gz RMQROMAZQNZPMX-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856981 682164785 /nfs/dbraw/zinc/16/47/85/682164785.db2.gz JLYUYJBKPXBDRP-FZMZJTMJSA-N -1 1 368.386 2.177 20 5 FEBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]1 ZINC000788505594 682534509 /nfs/dbraw/zinc/53/45/09/682534509.db2.gz LHBFTWZBQFBMBN-SSDOTTSWSA-N -1 1 368.346 2.363 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000788505594 682534512 /nfs/dbraw/zinc/53/45/12/682534512.db2.gz LHBFTWZBQFBMBN-SSDOTTSWSA-N -1 1 368.346 2.363 20 5 FEBDMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795792948 683093046 /nfs/dbraw/zinc/09/30/46/683093046.db2.gz YWCGDIQOAWBSOE-RNFRBKRXSA-N -1 1 367.196 2.431 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000867114102 684212367 /nfs/dbraw/zinc/21/23/67/684212367.db2.gz ZWDCHBOTFNVZEE-BXUZGUMPSA-N -1 1 358.391 2.278 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000031398541 539907059 /nfs/dbraw/zinc/90/70/59/539907059.db2.gz YBIKKMUVHZVBPC-JTQLQIEISA-N -1 1 370.365 2.123 20 5 FEBDMM COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1[N-]S(C)(=O)=O ZINC000052609721 540477301 /nfs/dbraw/zinc/47/73/01/540477301.db2.gz GNAKNCYWVILWAD-UHFFFAOYSA-N -1 1 371.396 2.289 20 5 FEBDMM CCc1nc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000107704063 543276546 /nfs/dbraw/zinc/27/65/46/543276546.db2.gz ONXWMWBZOFVEAP-UHFFFAOYSA-N -1 1 357.413 2.101 20 5 FEBDMM CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000146701191 544441261 /nfs/dbraw/zinc/44/12/61/544441261.db2.gz PARVYGKRDASQPJ-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM COCCN(CCCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193484006 328378046 /nfs/dbraw/zinc/37/80/46/328378046.db2.gz VUSQMDIJGMNVKP-UHFFFAOYSA-N -1 1 359.382 2.417 20 5 FEBDMM Cc1ccc(C)c(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000193729954 328392331 /nfs/dbraw/zinc/39/23/31/328392331.db2.gz GGULUUCFEYOWTQ-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000116903230 326041932 /nfs/dbraw/zinc/04/19/32/326041932.db2.gz GDSAAORSWFDGCV-NRFANRHFSA-N -1 1 368.864 2.074 20 5 FEBDMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000121311026 326328958 /nfs/dbraw/zinc/32/89/58/326328958.db2.gz ORNRPRNHHXNJKR-NSHDSACASA-N -1 1 370.818 2.046 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c([N+](=O)[O-])c1 ZINC000555137388 674349303 /nfs/dbraw/zinc/34/93/03/674349303.db2.gz YDUUMVPMSMMSPD-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000478444929 561167101 /nfs/dbraw/zinc/16/71/01/561167101.db2.gz GQZDLFMJYNBMCY-SNVBAGLBSA-N -1 1 372.164 2.466 20 5 FEBDMM CCC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000176778099 546487203 /nfs/dbraw/zinc/48/72/03/546487203.db2.gz KJMPTKGOADZAQO-SKDRFNHKSA-N -1 1 350.404 2.246 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)CC1 ZINC000179453020 546956559 /nfs/dbraw/zinc/95/65/59/546956559.db2.gz JMGWMJMFFRTXHV-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000268419248 550062862 /nfs/dbraw/zinc/06/28/62/550062862.db2.gz PZUFACMMEXTVIC-UHFFFAOYSA-N -1 1 355.332 2.150 20 5 FEBDMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278003972 550738003 /nfs/dbraw/zinc/73/80/03/550738003.db2.gz XWOIOOAJNUTSEV-UHFFFAOYSA-N -1 1 370.365 2.142 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282850669 551277757 /nfs/dbraw/zinc/27/77/57/551277757.db2.gz SBIWMIWANVZBQP-GFCCVEGCSA-N -1 1 371.397 2.248 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1C ZINC000285053415 551697632 /nfs/dbraw/zinc/69/76/32/551697632.db2.gz KBFBWMICZXGZBA-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM CCn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295188704 552968086 /nfs/dbraw/zinc/96/80/86/552968086.db2.gz AEDZASNOHJNKAS-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000325621327 553777478 /nfs/dbraw/zinc/77/74/78/553777478.db2.gz DBCDZKOROJYHCU-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330450019 554123270 /nfs/dbraw/zinc/12/32/70/554123270.db2.gz IFCUNJURPNNQJT-MNOVXSKESA-N -1 1 362.477 2.154 20 5 FEBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)NCc1ccc(F)c(F)c1 ZINC000351000762 554828891 /nfs/dbraw/zinc/82/88/91/554828891.db2.gz WTFXDIPOUYOPHQ-UHFFFAOYSA-N -1 1 363.280 2.110 20 5 FEBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000365004679 555462591 /nfs/dbraw/zinc/46/25/91/555462591.db2.gz ZWMVJBIKTAZSBL-UHFFFAOYSA-N -1 1 367.365 2.442 20 5 FEBDMM O=C([O-])CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000516546140 562047075 /nfs/dbraw/zinc/04/70/75/562047075.db2.gz NRLWSFTWJNMTPO-PWSUYJOCSA-N -1 1 374.390 2.436 20 5 FEBDMM Cc1cnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[n-]c1=O ZINC000517395835 562088545 /nfs/dbraw/zinc/08/85/45/562088545.db2.gz RYYHXVIPGJSFPP-UHFFFAOYSA-N -1 1 362.367 2.489 20 5 FEBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000374995409 557961225 /nfs/dbraw/zinc/96/12/25/557961225.db2.gz PAALBHPCDFPYBB-UHFFFAOYSA-N -1 1 370.296 2.034 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(c2ccccc2F)CC1 ZINC000376419271 558170463 /nfs/dbraw/zinc/17/04/63/558170463.db2.gz GIERNVORYYXOFM-UHFFFAOYSA-N -1 1 360.345 2.187 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377964721 558453693 /nfs/dbraw/zinc/45/36/93/558453693.db2.gz DXXBFYPMQFSELP-SFHVURJKSA-N -1 1 355.350 2.305 20 5 FEBDMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000378253659 558512661 /nfs/dbraw/zinc/51/26/61/558512661.db2.gz REYIGKCOSQQAJI-NSHDSACASA-N -1 1 368.390 2.095 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000410400366 558755502 /nfs/dbraw/zinc/75/55/02/558755502.db2.gz BLOQLZLLXXPQJG-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416390545 559309617 /nfs/dbraw/zinc/30/96/17/559309617.db2.gz NAVMUBKVTJSMET-UHFFFAOYSA-N -1 1 364.305 2.124 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416615508 559325350 /nfs/dbraw/zinc/32/53/50/559325350.db2.gz GUKBPVMJBMRDBP-PWSUYJOCSA-N -1 1 350.824 2.322 20 5 FEBDMM O=C(CCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000425292853 559695054 /nfs/dbraw/zinc/69/50/54/559695054.db2.gz AWWFQTLLXZNPJL-GFCCVEGCSA-N -1 1 374.353 2.053 20 5 FEBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318114 559696387 /nfs/dbraw/zinc/69/63/87/559696387.db2.gz HSBIEAFIFYCNPA-UHFFFAOYSA-N -1 1 371.353 2.044 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)c([N+](=O)[O-])n1 ZINC000435810261 559930538 /nfs/dbraw/zinc/93/05/38/559930538.db2.gz SAAVBPPPPGYCOR-UHFFFAOYSA-N -1 1 364.427 2.211 20 5 FEBDMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436957185 559957568 /nfs/dbraw/zinc/95/75/68/559957568.db2.gz SKNYUPQROXLAPF-UHFFFAOYSA-N -1 1 366.351 2.052 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000438759578 559983200 /nfs/dbraw/zinc/98/32/00/559983200.db2.gz SGXDXIGNHPQOIX-HSZRJFAPSA-N -1 1 370.408 2.142 20 5 FEBDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442243491 560046636 /nfs/dbraw/zinc/04/66/36/560046636.db2.gz QHAVHEQLNZLYJD-UHFFFAOYSA-N -1 1 350.352 2.111 20 5 FEBDMM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000463782682 560824152 /nfs/dbraw/zinc/82/41/52/560824152.db2.gz NVPGWLYLZUUUAO-UHFFFAOYSA-N -1 1 367.339 2.268 20 5 FEBDMM O=C(NC1(c2nn[n-]n2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473377745 561048881 /nfs/dbraw/zinc/04/88/81/561048881.db2.gz BVKZNCIWEWZQRW-UHFFFAOYSA-N -1 1 366.337 2.319 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000477195668 561139028 /nfs/dbraw/zinc/13/90/28/561139028.db2.gz VVIXZLQONQNAMK-MRVPVSSYSA-N -1 1 364.807 2.257 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000530916146 562428511 /nfs/dbraw/zinc/42/85/11/562428511.db2.gz QNCVEZITEFOUTR-STQMWFEESA-N -1 1 357.432 2.252 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])n1 ZINC000533407477 562507574 /nfs/dbraw/zinc/50/75/74/562507574.db2.gz PHQREHLIJKXVJJ-LBPRGKRZSA-N -1 1 370.818 2.430 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)c([N+](=O)[O-])n1 ZINC000533635352 562515100 /nfs/dbraw/zinc/51/51/00/562515100.db2.gz ZWQKNHTUJUPLEJ-LBPRGKRZSA-N -1 1 352.416 2.468 20 5 FEBDMM Cc1cccc(O)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000540696483 562591524 /nfs/dbraw/zinc/59/15/24/562591524.db2.gz QJEKAULKCLRUPF-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCCO ZINC000541123796 562603704 /nfs/dbraw/zinc/60/37/04/562603704.db2.gz GMZGVHKETBTPLI-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000568713168 568137454 /nfs/dbraw/zinc/13/74/54/568137454.db2.gz GTTDUWAZIUJTNV-GZMMTYOYSA-N -1 1 373.312 2.242 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1Cc2ccccc2C(F)(F)C1 ZINC000823620514 607331355 /nfs/dbraw/zinc/33/13/55/607331355.db2.gz MLYINOXMVNWMPP-UHFFFAOYSA-N -1 1 359.296 2.282 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1Cc2ccccc2C(F)(F)C1 ZINC000823620514 607331356 /nfs/dbraw/zinc/33/13/56/607331356.db2.gz MLYINOXMVNWMPP-UHFFFAOYSA-N -1 1 359.296 2.282 20 5 FEBDMM CC[C@](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736919990 600305074 /nfs/dbraw/zinc/30/50/74/600305074.db2.gz FVYLDGWTIWAZHM-GOSISDBHSA-N -1 1 357.366 2.173 20 5 FEBDMM O=C([O-])[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000548229884 601389501 /nfs/dbraw/zinc/38/95/01/601389501.db2.gz BDFZVXRVHGMAHU-VIFPVBQESA-N -1 1 369.182 2.043 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc(F)c1F ZINC000751143239 601830499 /nfs/dbraw/zinc/83/04/99/601830499.db2.gz XPOZDTQJKMIYBU-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832885697 602318750 /nfs/dbraw/zinc/31/87/50/602318750.db2.gz LFPLITMKGFXOJB-UHFFFAOYSA-N -1 1 373.774 2.394 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809821350 674512944 /nfs/dbraw/zinc/51/29/44/674512944.db2.gz LOAJMHBBHXAVFZ-JTQLQIEISA-N -1 1 354.787 2.337 20 5 FEBDMM CC[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809837310 674515105 /nfs/dbraw/zinc/51/51/05/674515105.db2.gz SYPYMUMJCBPOKG-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM O=C([O-])NC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000834206372 605989052 /nfs/dbraw/zinc/98/90/52/605989052.db2.gz LOFGCBWVQSWBNT-ZDUSSCGKSA-N -1 1 369.337 2.210 20 5 FEBDMM COc1ccccc1OCCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821904436 606645868 /nfs/dbraw/zinc/64/58/68/606645868.db2.gz VKTNCLQYVBWEEF-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM COc1ccc([C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000821787786 606704567 /nfs/dbraw/zinc/70/45/67/606704567.db2.gz ZWJOWSGUZBBRAK-LBPRGKRZSA-N -1 1 367.369 2.172 20 5 FEBDMM COc1ccc([C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000821787786 606704569 /nfs/dbraw/zinc/70/45/69/606704569.db2.gz ZWJOWSGUZBBRAK-LBPRGKRZSA-N -1 1 367.369 2.172 20 5 FEBDMM Cc1ccccc1[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351236 606705768 /nfs/dbraw/zinc/70/57/68/606705768.db2.gz MOFVJMKKLYNNFW-GFCCVEGCSA-N -1 1 351.370 2.472 20 5 FEBDMM Cc1ccccc1[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351236 606705769 /nfs/dbraw/zinc/70/57/69/606705769.db2.gz MOFVJMKKLYNNFW-GFCCVEGCSA-N -1 1 351.370 2.472 20 5 FEBDMM COCc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC000821695191 606710006 /nfs/dbraw/zinc/71/00/06/606710006.db2.gz NATGCHZNXKFEBR-UHFFFAOYSA-N -1 1 359.321 2.068 20 5 FEBDMM COCc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC000821695191 606710008 /nfs/dbraw/zinc/71/00/08/606710008.db2.gz NATGCHZNXKFEBR-UHFFFAOYSA-N -1 1 359.321 2.068 20 5 FEBDMM C[C@]1(c2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820636554 606719195 /nfs/dbraw/zinc/71/91/95/606719195.db2.gz UECJKALIMLLZAR-KRWDZBQOSA-N -1 1 351.370 2.338 20 5 FEBDMM C[C@]1(c2ccccc2)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820636554 606719197 /nfs/dbraw/zinc/71/91/97/606719197.db2.gz UECJKALIMLLZAR-KRWDZBQOSA-N -1 1 351.370 2.338 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000820281605 607167484 /nfs/dbraw/zinc/16/74/84/607167484.db2.gz WTBDASWLIFFQSJ-LLVKDONJSA-N -1 1 366.385 2.033 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000820281605 607167486 /nfs/dbraw/zinc/16/74/86/607167486.db2.gz WTBDASWLIFFQSJ-LLVKDONJSA-N -1 1 366.385 2.033 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000826500281 607937896 /nfs/dbraw/zinc/93/78/96/607937896.db2.gz RTLNAGQLKVCZTI-UHFFFAOYSA-N -1 1 363.790 2.448 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000826500281 607937897 /nfs/dbraw/zinc/93/78/97/607937897.db2.gz RTLNAGQLKVCZTI-UHFFFAOYSA-N -1 1 363.790 2.448 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000814975521 674890929 /nfs/dbraw/zinc/89/09/29/674890929.db2.gz KAJWPLKLGMYBMG-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC000815027443 674901931 /nfs/dbraw/zinc/90/19/31/674901931.db2.gz ZYYHOXZJYYCCID-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815030489 674902899 /nfs/dbraw/zinc/90/28/99/674902899.db2.gz AAOZTDDJTVNOTJ-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815047872 674907350 /nfs/dbraw/zinc/90/73/50/674907350.db2.gz LNFKDJUYDCTUAP-ZDUSSCGKSA-N -1 1 366.798 2.481 20 5 FEBDMM COc1ccccc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047671086 670247567 /nfs/dbraw/zinc/24/75/67/670247567.db2.gz VJQOLYHNEQTPDG-UHFFFAOYSA-N -1 1 354.359 2.264 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000581344062 671886522 /nfs/dbraw/zinc/88/65/22/671886522.db2.gz IRIPDTPKLJGQLS-UHFFFAOYSA-N -1 1 360.351 2.123 20 5 FEBDMM COCc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000119735115 671906990 /nfs/dbraw/zinc/90/69/90/671906990.db2.gz XLCSUXFTKJPSJU-UHFFFAOYSA-N -1 1 360.388 2.420 20 5 FEBDMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000121915517 671960005 /nfs/dbraw/zinc/96/00/05/671960005.db2.gz SXUAAMNUAISUMP-ZDUSSCGKSA-N -1 1 360.413 2.052 20 5 FEBDMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122762335 671971095 /nfs/dbraw/zinc/97/10/95/671971095.db2.gz QIARZSLJNJPVOP-JQWIXIFHSA-N -1 1 356.425 2.447 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1F ZINC000130771024 672079411 /nfs/dbraw/zinc/07/94/11/672079411.db2.gz OUOBHRVKLBHLLH-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c1F ZINC000130771024 672079414 /nfs/dbraw/zinc/07/94/14/672079414.db2.gz OUOBHRVKLBHLLH-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131664774 672090406 /nfs/dbraw/zinc/09/04/06/672090406.db2.gz PNPUAFVPTUPYFV-LLVKDONJSA-N -1 1 372.164 2.466 20 5 FEBDMM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000134127140 672119893 /nfs/dbraw/zinc/11/98/93/672119893.db2.gz VTDBBPQHNWPJKG-UHFFFAOYSA-N -1 1 360.294 2.263 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000585722701 672227364 /nfs/dbraw/zinc/22/73/64/672227364.db2.gz COXMTQNRPBFMRB-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000179666052 672404477 /nfs/dbraw/zinc/40/44/77/672404477.db2.gz YNOYRQHJNQJBQO-UHFFFAOYSA-N -1 1 352.372 2.016 20 5 FEBDMM COc1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194346781 672757011 /nfs/dbraw/zinc/75/70/11/672757011.db2.gz JYAQWFLMBKRADB-UHFFFAOYSA-N -1 1 354.359 2.264 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000612174441 676072337 /nfs/dbraw/zinc/07/23/37/676072337.db2.gz LIHVJHXTUMEYCG-KGLIPLIRSA-N -1 1 360.819 2.484 20 5 FEBDMM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000725821272 673092543 /nfs/dbraw/zinc/09/25/43/673092543.db2.gz NTOIBAFCMDEPTP-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])n1 ZINC000594801456 673147839 /nfs/dbraw/zinc/14/78/39/673147839.db2.gz OSRKWMYJKYUVOZ-LLVKDONJSA-N -1 1 370.406 2.168 20 5 FEBDMM COc1ccnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1F ZINC000594855987 673165883 /nfs/dbraw/zinc/16/58/83/673165883.db2.gz DRUHGZOOMQXDKH-UHFFFAOYSA-N -1 1 369.374 2.233 20 5 FEBDMM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538847373 673461644 /nfs/dbraw/zinc/46/16/44/673461644.db2.gz ICHIHNFBARBBNO-HZMBPMFUSA-N -1 1 369.374 2.183 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598609345 673589831 /nfs/dbraw/zinc/58/98/31/673589831.db2.gz HKGYATQKEYSWOK-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])s1 ZINC000742319872 673721987 /nfs/dbraw/zinc/72/19/87/673721987.db2.gz CQPBPWCFMPPCKC-UHFFFAOYSA-N -1 1 357.369 2.086 20 5 FEBDMM C[C@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548211872 673935325 /nfs/dbraw/zinc/93/53/25/673935325.db2.gz HSWABKFVEPARLG-RXMQYKEDSA-N -1 1 357.171 2.043 20 5 FEBDMM CC(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000548541001 673968209 /nfs/dbraw/zinc/96/82/09/673968209.db2.gz GYCRBMRJFKOHQD-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM CC1(C)C[C@](C)([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)O1 ZINC000820735025 675383420 /nfs/dbraw/zinc/38/34/20/675383420.db2.gz NYNSPBBKIQYMDX-ZDUSSCGKSA-N -1 1 362.791 2.011 20 5 FEBDMM O=C(NCc1nn[n-]n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000619669924 676390146 /nfs/dbraw/zinc/39/01/46/676390146.db2.gz UPVKOGKHZODXTR-UHFFFAOYSA-N -1 1 356.367 2.189 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccsc1 ZINC000619752152 676393374 /nfs/dbraw/zinc/39/33/74/676393374.db2.gz JIFPQLBQXUJTDY-VIFPVBQESA-N -1 1 370.408 2.467 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2(CCO)CC2)c1Cl ZINC000831617757 680012347 /nfs/dbraw/zinc/01/23/47/680012347.db2.gz KRFWJNVWPOWYSX-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(Cl)cc1Cl ZINC000832654393 680160393 /nfs/dbraw/zinc/16/03/93/680160393.db2.gz NEFKFGQCMFEKQW-LLVKDONJSA-N -1 1 369.226 2.341 20 5 FEBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000751445164 680176711 /nfs/dbraw/zinc/17/67/11/680176711.db2.gz IFIXKYZBPIFYGD-LLVKDONJSA-N -1 1 360.775 2.162 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])n1 ZINC000754791913 680378829 /nfs/dbraw/zinc/37/88/29/680378829.db2.gz MLTOXFXMPKOCFU-UHFFFAOYSA-N -1 1 368.415 2.077 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C1CCC1 ZINC000841526952 680892083 /nfs/dbraw/zinc/89/20/83/680892083.db2.gz FISAOXYBFPLNFQ-UHFFFAOYSA-N -1 1 353.169 2.327 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841559683 680897808 /nfs/dbraw/zinc/89/78/08/680897808.db2.gz DZKPIHAKZHVKQY-GXFFZTMASA-N -1 1 368.814 2.461 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000768817508 680959368 /nfs/dbraw/zinc/95/93/68/680959368.db2.gz QEKLVDLFSXGLCJ-UHFFFAOYSA-N -1 1 358.397 2.152 20 5 FEBDMM O=C(OCCCS(=O)(=O)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074217 681790154 /nfs/dbraw/zinc/79/01/54/681790154.db2.gz DFRIHVFIFSDLPV-UHFFFAOYSA-N -1 1 365.363 2.321 20 5 FEBDMM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856983 682164682 /nfs/dbraw/zinc/16/46/82/682164682.db2.gz JLYUYJBKPXBDRP-RISCZKNCSA-N -1 1 368.386 2.177 20 5 FEBDMM CS(=O)(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000789930461 682639306 /nfs/dbraw/zinc/63/93/06/682639306.db2.gz PHNHQVNBCMBYDV-UHFFFAOYSA-N -1 1 371.758 2.005 20 5 FEBDMM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000859317149 683081562 /nfs/dbraw/zinc/08/15/62/683081562.db2.gz CBKHSZLBHGTOCT-JTQLQIEISA-N -1 1 374.802 2.178 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000859368404 683095275 /nfs/dbraw/zinc/09/52/75/683095275.db2.gz ZTFCOFJJTQOTHA-PRHODGIISA-N -1 1 364.782 2.233 20 5 FEBDMM COCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859383336 683098429 /nfs/dbraw/zinc/09/84/29/683098429.db2.gz COVNPUSQYSMNAP-UHFFFAOYSA-N -1 1 373.214 2.191 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000859405384 683102231 /nfs/dbraw/zinc/10/22/31/683102231.db2.gz UXMFJVTVNVMMJI-LBPRGKRZSA-N -1 1 370.818 2.430 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccc(CO)c2)cc1Cl ZINC000798228969 683325489 /nfs/dbraw/zinc/32/54/89/683325489.db2.gz UQJVQIZNCIBVJW-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)cc1F ZINC000867114103 684212356 /nfs/dbraw/zinc/21/23/56/684212356.db2.gz ZWDCHBOTFNVZEE-FZMZJTMJSA-N -1 1 358.391 2.278 20 5 FEBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000882702214 687446521 /nfs/dbraw/zinc/44/65/21/687446521.db2.gz RQFCNFIFYKNIOH-OCAPTIKFSA-N -1 1 352.771 2.091 20 5 FEBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO ZINC000026540619 539789145 /nfs/dbraw/zinc/78/91/45/539789145.db2.gz OQGXSQFDEOMATJ-UHFFFAOYSA-N -1 1 369.374 2.247 20 5 FEBDMM CCOC(=O)CSc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000044282285 540121497 /nfs/dbraw/zinc/12/14/97/540121497.db2.gz KIHOJENSLVLEGN-UHFFFAOYSA-N -1 1 374.425 2.415 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000071092399 541763457 /nfs/dbraw/zinc/76/34/57/541763457.db2.gz PCHSNUINTVMQDG-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc2)n[nH]1 ZINC000131743048 544204596 /nfs/dbraw/zinc/20/45/96/544204596.db2.gz PHGCORYVBBIHOC-AWEZNQCLSA-N -1 1 353.338 2.246 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000188380220 328083624 /nfs/dbraw/zinc/08/36/24/328083624.db2.gz BGLVCUCPIJEHEW-AWEZNQCLSA-N -1 1 365.292 2.187 20 5 FEBDMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193666273 328388647 /nfs/dbraw/zinc/38/86/47/328388647.db2.gz YQKMWDWKNHRAKA-JUTIIYIPSA-N -1 1 363.395 2.266 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000230627296 328487132 /nfs/dbraw/zinc/48/71/32/328487132.db2.gz KAQNANISQOUWLB-MRVPVSSYSA-N -1 1 367.246 2.141 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153411007 326732369 /nfs/dbraw/zinc/73/23/69/326732369.db2.gz CSUVPQKDLNGEIR-BIMULSAOSA-N -1 1 360.819 2.340 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000174035209 327302630 /nfs/dbraw/zinc/30/26/30/327302630.db2.gz XNDAYYKDLPMOJP-VIFPVBQESA-N -1 1 354.388 2.315 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000174264107 327316246 /nfs/dbraw/zinc/31/62/46/327316246.db2.gz GWOIEFTUZJIZKY-JOCHJYFZSA-N -1 1 354.409 2.441 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000246731398 328641331 /nfs/dbraw/zinc/64/13/31/328641331.db2.gz DTFKMCANJSPPTC-ZEGGKSINSA-N -1 1 360.819 2.340 20 5 FEBDMM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263687084 328952657 /nfs/dbraw/zinc/95/26/57/328952657.db2.gz KISUDGIANATEHR-LLVKDONJSA-N -1 1 370.818 2.338 20 5 FEBDMM CSc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(=O)[n-]1 ZINC000268541747 329432953 /nfs/dbraw/zinc/43/29/53/329432953.db2.gz LBBLGRSGMYAVHR-UHFFFAOYSA-N -1 1 363.399 2.395 20 5 FEBDMM COC(=O)c1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000269265102 329502188 /nfs/dbraw/zinc/50/21/88/329502188.db2.gz BKRSGWZPMNUION-UHFFFAOYSA-N -1 1 362.294 2.388 20 5 FEBDMM C[C@@H](CO[N-]C(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271185297 329670370 /nfs/dbraw/zinc/67/03/70/329670370.db2.gz ZKKZJUDGGKPFQP-NSHDSACASA-N -1 1 353.375 2.098 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000175602566 546318800 /nfs/dbraw/zinc/31/88/00/546318800.db2.gz LOXADSDGKIBWAA-MRVPVSSYSA-N -1 1 373.300 2.376 20 5 FEBDMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000480064750 561202366 /nfs/dbraw/zinc/20/23/66/561202366.db2.gz DDTMVPLGIYIZAE-OLZOCXBDSA-N -1 1 374.463 2.073 20 5 FEBDMM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000480847733 561218036 /nfs/dbraw/zinc/21/80/36/561218036.db2.gz WIJICCFJZNCNJT-NSHDSACASA-N -1 1 370.456 2.270 20 5 FEBDMM C[C@](CO)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000480851003 561218217 /nfs/dbraw/zinc/21/82/17/561218217.db2.gz ZOGIJWUJVJYWCY-OAHLLOKOSA-N -1 1 370.452 2.176 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)s1 ZINC000481850431 561244004 /nfs/dbraw/zinc/24/40/04/561244004.db2.gz XJYZPXCHEIHEBU-QMMMGPOBSA-N -1 1 358.401 2.074 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179435876 546953467 /nfs/dbraw/zinc/95/34/67/546953467.db2.gz IOFNMAIBBSVSFS-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000484254738 561294734 /nfs/dbraw/zinc/29/47/34/561294734.db2.gz GENHZFMWWUBZSS-LBPRGKRZSA-N -1 1 359.338 2.348 20 5 FEBDMM O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185267979 547962619 /nfs/dbraw/zinc/96/26/19/547962619.db2.gz OTXXAGADOPUPJF-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000490569737 561435435 /nfs/dbraw/zinc/43/54/35/561435435.db2.gz VPVPINGSMCROPH-UHFFFAOYSA-N -1 1 352.372 2.245 20 5 FEBDMM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000268695514 550105113 /nfs/dbraw/zinc/10/51/13/550105113.db2.gz QAHMQHBFGGFWFB-SNVBAGLBSA-N -1 1 366.399 2.252 20 5 FEBDMM Cc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000281599542 551118933 /nfs/dbraw/zinc/11/89/33/551118933.db2.gz DDLXZHQQZQGPSD-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282834520 551276028 /nfs/dbraw/zinc/27/60/28/551276028.db2.gz DRLAFGOLMYQOQB-SECBINFHSA-N -1 1 373.394 2.241 20 5 FEBDMM COc1ccccc1OC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000497724261 561507326 /nfs/dbraw/zinc/50/73/26/561507326.db2.gz URDBZGLNEPYKES-NSHDSACASA-N -1 1 361.354 2.149 20 5 FEBDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000497946999 561512141 /nfs/dbraw/zinc/51/21/41/561512141.db2.gz VTIQEXZXRZDJME-UHFFFAOYSA-N -1 1 363.395 2.340 20 5 FEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288325865 552133694 /nfs/dbraw/zinc/13/36/94/552133694.db2.gz MTRSJTXAQBNRHT-UHFFFAOYSA-N -1 1 362.411 2.435 20 5 FEBDMM Cc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000290322941 552460121 /nfs/dbraw/zinc/46/01/21/552460121.db2.gz IPDAULOMZMDRFV-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)COC1 ZINC000296615865 553188108 /nfs/dbraw/zinc/18/81/08/553188108.db2.gz GUFPDVTWRJODPP-UHFFFAOYSA-N -1 1 355.199 2.216 20 5 FEBDMM COC(=O)c1cnc([N-]c2cnn(Cc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000302774409 553732046 /nfs/dbraw/zinc/73/20/46/553732046.db2.gz OEQZKTCCKMJBNZ-UHFFFAOYSA-N -1 1 354.326 2.160 20 5 FEBDMM CCn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC000325107484 553775312 /nfs/dbraw/zinc/77/53/12/553775312.db2.gz XTBWBPGMYVFXDO-UHFFFAOYSA-N -1 1 353.356 2.224 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000325855321 553778189 /nfs/dbraw/zinc/77/81/89/553778189.db2.gz GQNVQBDRRCRBGP-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM CC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC000327487246 553789201 /nfs/dbraw/zinc/78/92/01/553789201.db2.gz NBESDLSFMLIGIU-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327627689 553790153 /nfs/dbraw/zinc/79/01/53/553790153.db2.gz PMGUGNLVVIZJII-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc([N+](=O)[O-])c1C ZINC000509279475 561793453 /nfs/dbraw/zinc/79/34/53/561793453.db2.gz NIXLOEZBSAUKFK-UHFFFAOYSA-N -1 1 362.342 2.020 20 5 FEBDMM CSc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000332263295 554412411 /nfs/dbraw/zinc/41/24/11/554412411.db2.gz BMXWWMLYRLJOGI-SNVBAGLBSA-N -1 1 364.383 2.425 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)s1 ZINC000510085998 561824454 /nfs/dbraw/zinc/82/44/54/561824454.db2.gz KBMRYZKFKMGARV-UHFFFAOYSA-N -1 1 366.380 2.185 20 5 FEBDMM Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1C(=O)[O-] ZINC000512785238 561915250 /nfs/dbraw/zinc/91/52/50/561915250.db2.gz FJHZHOGQLRFWDG-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368211478 556249597 /nfs/dbraw/zinc/24/95/97/556249597.db2.gz GNEJOQNMWKQHFC-UHFFFAOYSA-N -1 1 370.365 2.013 20 5 FEBDMM Cc1ccc2c([O-])c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cnc2n1 ZINC000518336866 562108881 /nfs/dbraw/zinc/10/88/81/562108881.db2.gz RJGRPCMVQJPZFR-UHFFFAOYSA-N -1 1 368.349 2.361 20 5 FEBDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c2=O ZINC000518336866 562108882 /nfs/dbraw/zinc/10/88/82/562108882.db2.gz RJGRPCMVQJPZFR-UHFFFAOYSA-N -1 1 368.349 2.361 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000373348986 557677191 /nfs/dbraw/zinc/67/71/91/557677191.db2.gz QRIJFYYPVQDLKT-HUUCEWRRSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293547 559694948 /nfs/dbraw/zinc/69/49/48/559694948.db2.gz BZTCAMYSJDFOAJ-FPMFFAJLSA-N -1 1 358.354 2.193 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317609 559696503 /nfs/dbraw/zinc/69/65/03/559696503.db2.gz GNHZMUYOXNNQPL-UHFFFAOYSA-N -1 1 358.310 2.449 20 5 FEBDMM C[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000425329033 559697066 /nfs/dbraw/zinc/69/70/66/559697066.db2.gz YQQOSYZHPCIPCZ-SECBINFHSA-N -1 1 364.333 2.332 20 5 FEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000427101603 559747831 /nfs/dbraw/zinc/74/78/31/559747831.db2.gz CBIFVZCQRATJCE-UHFFFAOYSA-N -1 1 372.790 2.120 20 5 FEBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000432276587 559855350 /nfs/dbraw/zinc/85/53/50/559855350.db2.gz YRTJLTKXVKDCQP-HNNXBMFYSA-N -1 1 366.399 2.198 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000435208281 559917922 /nfs/dbraw/zinc/91/79/22/559917922.db2.gz VVIXZLQONQNAMK-QMMMGPOBSA-N -1 1 364.807 2.257 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)ccc1[N+](=O)[O-] ZINC000436766965 559951318 /nfs/dbraw/zinc/95/13/18/559951318.db2.gz FPPNVWRQVXPKNW-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM COc1cc(Oc2ccc([N-]S(C)(=O)=O)nc2)c([N+](=O)[O-])cc1OC ZINC000439119424 559988811 /nfs/dbraw/zinc/98/88/11/559988811.db2.gz NOYMRJIBYXTEKA-UHFFFAOYSA-N -1 1 369.355 2.171 20 5 FEBDMM COc1ccc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000445007045 560126566 /nfs/dbraw/zinc/12/65/66/560126566.db2.gz IKDNEBUWLJCCRN-SNVBAGLBSA-N -1 1 361.354 2.074 20 5 FEBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000445219766 560130910 /nfs/dbraw/zinc/13/09/10/560130910.db2.gz YTMHLLGGLXCPMT-NUEKZKHPSA-N -1 1 373.365 2.050 20 5 FEBDMM O=C(NCCc1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445459752 560132431 /nfs/dbraw/zinc/13/24/31/560132431.db2.gz GUNHLOLZIDSURP-UHFFFAOYSA-N -1 1 372.312 2.462 20 5 FEBDMM O=C(N=c1nc(-c2cccc([N+](=O)[O-])c2)[nH][n-]1)c1ccc(C2CC2)cn1 ZINC000446815293 560152205 /nfs/dbraw/zinc/15/22/05/560152205.db2.gz SIKIEYUVPRPJHO-UHFFFAOYSA-N -1 1 350.338 2.905 20 5 FEBDMM COCCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000473843235 561058874 /nfs/dbraw/zinc/05/88/74/561058874.db2.gz MLHJDEXBDBWELW-CQSZACIVSA-N -1 1 359.382 2.463 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000532853869 562490534 /nfs/dbraw/zinc/49/05/34/562490534.db2.gz CZUNGYRTOSIAPO-SECBINFHSA-N -1 1 374.369 2.171 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)c([N+](=O)[O-])n1 ZINC000533174062 562500434 /nfs/dbraw/zinc/50/04/34/562500434.db2.gz GWGWIVJIHNXYEK-UHFFFAOYSA-N -1 1 370.456 2.320 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533174471 562500436 /nfs/dbraw/zinc/50/04/36/562500436.db2.gz LKUXGUKAMLEFKU-AWEZNQCLSA-N -1 1 364.427 2.111 20 5 FEBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550101816 562642533 /nfs/dbraw/zinc/64/25/33/562642533.db2.gz VWPMFPCHHSFTBX-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(CCN3CCOCC3)CC2)c1 ZINC000570098910 568450768 /nfs/dbraw/zinc/45/07/68/568450768.db2.gz YKWUESXHGLIJOA-UHFFFAOYSA-N -1 1 363.414 2.232 20 5 FEBDMM COc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000737094835 598576324 /nfs/dbraw/zinc/57/63/24/598576324.db2.gz BDDPKACSMQMTDA-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM COc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000737094835 598576325 /nfs/dbraw/zinc/57/63/25/598576325.db2.gz BDDPKACSMQMTDA-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccc(-n3ccnc3)c2)c(-c2nn[n-]n2)c1 ZINC000738373478 599527606 /nfs/dbraw/zinc/52/76/06/599527606.db2.gz DNQCSDLDKJRWNH-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1-c1nn[nH]n1 ZINC000820170281 607397444 /nfs/dbraw/zinc/39/74/44/607397444.db2.gz WXADYQJQFBZWGG-UHFFFAOYSA-N -1 1 357.330 2.143 20 5 FEBDMM Cc1[nH]c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1C(=O)[O-] ZINC000738156841 599990083 /nfs/dbraw/zinc/99/00/83/599990083.db2.gz MSJXPKCDAVGARL-UHFFFAOYSA-N -1 1 370.325 2.275 20 5 FEBDMM O=C([O-])CCC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000595882831 601845020 /nfs/dbraw/zinc/84/50/20/601845020.db2.gz QTLIXHXKILDSMM-INIZCTEOSA-N -1 1 361.398 2.277 20 5 FEBDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822502 674512968 /nfs/dbraw/zinc/51/29/68/674512968.db2.gz MUHRVKBPAMQPSZ-VIFPVBQESA-N -1 1 368.814 2.464 20 5 FEBDMM CC(C)OCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809804658 674510578 /nfs/dbraw/zinc/51/05/78/674510578.db2.gz JKPNIYXSBXTQOL-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)CNC(=O)[O-] ZINC000828350941 603549563 /nfs/dbraw/zinc/54/95/63/603549563.db2.gz SLUNDLFLCNSDTN-UHFFFAOYSA-N -1 1 353.375 2.187 20 5 FEBDMM CCN(CC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827089535 605388629 /nfs/dbraw/zinc/38/86/29/605388629.db2.gz KKLOBIYKGIAKEN-UHFFFAOYSA-N -1 1 367.406 2.293 20 5 FEBDMM O=C([O-])N1CCC2(CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000834091742 605909166 /nfs/dbraw/zinc/90/91/66/605909166.db2.gz ZFBNRUOVTHJDIE-UHFFFAOYSA-N -1 1 373.369 2.077 20 5 FEBDMM Cc1csc(CCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822408391 606706948 /nfs/dbraw/zinc/70/69/48/606706948.db2.gz CSDABTMPKIJTFD-UHFFFAOYSA-N -1 1 360.403 2.370 20 5 FEBDMM Cc1csc(CCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822408391 606706949 /nfs/dbraw/zinc/70/69/49/606706949.db2.gz CSDABTMPKIJTFD-UHFFFAOYSA-N -1 1 360.403 2.370 20 5 FEBDMM COc1cc(Cl)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821719303 606710103 /nfs/dbraw/zinc/71/01/03/606710103.db2.gz AXGFYCGAVMMPMK-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM COc1cc(Cl)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821719303 606710105 /nfs/dbraw/zinc/71/01/05/606710105.db2.gz AXGFYCGAVMMPMK-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM CCn1c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccccc21 ZINC000821564145 607164040 /nfs/dbraw/zinc/16/40/40/607164040.db2.gz VGUZVFCBYKHZGO-UHFFFAOYSA-N -1 1 365.357 2.152 20 5 FEBDMM CCn1c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccccc21 ZINC000821564145 607164041 /nfs/dbraw/zinc/16/40/41/607164041.db2.gz VGUZVFCBYKHZGO-UHFFFAOYSA-N -1 1 365.357 2.152 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000820280296 607168691 /nfs/dbraw/zinc/16/86/91/607168691.db2.gz DAAJFPGBNJKAES-NSHDSACASA-N -1 1 354.374 2.107 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000820280296 607168693 /nfs/dbraw/zinc/16/86/93/607168693.db2.gz DAAJFPGBNJKAES-NSHDSACASA-N -1 1 354.374 2.107 20 5 FEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826401311 607997521 /nfs/dbraw/zinc/99/75/21/607997521.db2.gz VHTDLIHDWXJXLO-FPYGCLRLSA-N -1 1 352.310 2.132 20 5 FEBDMM C[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[N+](=O)[O-] ZINC000813103414 674719379 /nfs/dbraw/zinc/71/93/79/674719379.db2.gz PZGOGXMKVOIWOV-LBPRGKRZSA-N -1 1 364.379 2.309 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815018581 674898505 /nfs/dbraw/zinc/89/85/05/674898505.db2.gz UHNHTKVXQSSWJK-SNVBAGLBSA-N -1 1 354.787 2.337 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCOC1 ZINC000815029297 674902332 /nfs/dbraw/zinc/90/23/32/674902332.db2.gz QYGGNGWALXOCLD-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029758 674902352 /nfs/dbraw/zinc/90/23/52/674902352.db2.gz XLQYNOUSSUZIIU-JGVFFNPUSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000815028341 674901828 /nfs/dbraw/zinc/90/18/28/674901828.db2.gz YKUGHBDFROYAQH-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815079286 674913480 /nfs/dbraw/zinc/91/34/80/674913480.db2.gz OUWZGUSRSABBOL-NSHDSACASA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000119322993 671896848 /nfs/dbraw/zinc/89/68/48/671896848.db2.gz XVXAIWHBXJGXQG-PSLIRLAXSA-N -1 1 372.349 2.273 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000119322867 671896862 /nfs/dbraw/zinc/89/68/62/671896862.db2.gz XVXAIWHBXJGXQG-VFZGTOFNSA-N -1 1 372.349 2.273 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC000125412493 672010887 /nfs/dbraw/zinc/01/08/87/672010887.db2.gz OEZZGMPNYYIBAX-LBPRGKRZSA-N -1 1 370.814 2.303 20 5 FEBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000159420555 672281893 /nfs/dbraw/zinc/28/18/93/672281893.db2.gz JTSBGYWNCUVCEJ-ZDUSSCGKSA-N -1 1 354.359 2.054 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000159551637 672283019 /nfs/dbraw/zinc/28/30/19/672283019.db2.gz OKKRNUZHHMGBIK-ZDUSSCGKSA-N -1 1 362.835 2.468 20 5 FEBDMM Cc1cccc(OCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194335448 672756476 /nfs/dbraw/zinc/75/64/76/672756476.db2.gz HRENDFSQVBTJNO-UHFFFAOYSA-N -1 1 354.359 2.400 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000612174210 676072095 /nfs/dbraw/zinc/07/20/95/676072095.db2.gz BFEUZAMAQHKXDS-KBPBESRZSA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc2N1 ZINC000593730312 672983983 /nfs/dbraw/zinc/98/39/83/672983983.db2.gz OGHFSPLHHSBBOD-ZDUSSCGKSA-N -1 1 362.411 2.085 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000594488693 673091666 /nfs/dbraw/zinc/09/16/66/673091666.db2.gz UMFCQLWZOZEXAZ-PWSUYJOCSA-N -1 1 368.333 2.373 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CC(C)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000542690406 673597613 /nfs/dbraw/zinc/59/76/13/673597613.db2.gz FZWTZRPUIHKELV-UHFFFAOYSA-N -1 1 364.427 2.210 20 5 FEBDMM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599253705 673649153 /nfs/dbraw/zinc/64/91/53/673649153.db2.gz OHLRYLLJDBNLMG-XPTSAGLGSA-N -1 1 368.390 2.069 20 5 FEBDMM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599299639 673655841 /nfs/dbraw/zinc/65/58/41/673655841.db2.gz LNVRDVDJLNNTPN-SECBINFHSA-N -1 1 356.429 2.090 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000547323113 673842713 /nfs/dbraw/zinc/84/27/13/673842713.db2.gz JQUDCVAIPADUIL-KBPBESRZSA-N -1 1 363.395 2.188 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC000822530640 675490853 /nfs/dbraw/zinc/49/08/53/675490853.db2.gz KOUDKUPQXWEXJS-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1-c1nn[n-]n1 ZINC000822530640 675490857 /nfs/dbraw/zinc/49/08/57/675490857.db2.gz KOUDKUPQXWEXJS-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000604043527 675803219 /nfs/dbraw/zinc/80/32/19/675803219.db2.gz NFWQPFHFGLSJRT-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000763395641 680782093 /nfs/dbraw/zinc/78/20/93/680782093.db2.gz NNGPHYSHTUMXMI-VIFPVBQESA-N -1 1 364.807 2.114 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](C)O ZINC000832308398 680122021 /nfs/dbraw/zinc/12/20/21/680122021.db2.gz CNIQGQURTDMWDT-HZGVNTEJSA-N -1 1 357.215 2.339 20 5 FEBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000758404348 680576613 /nfs/dbraw/zinc/57/66/13/680576613.db2.gz JCPGOAUDCUVOEF-UHFFFAOYSA-N -1 1 353.356 2.412 20 5 FEBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000758404348 680576615 /nfs/dbraw/zinc/57/66/15/680576615.db2.gz JCPGOAUDCUVOEF-UHFFFAOYSA-N -1 1 353.356 2.412 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000841560137 680897962 /nfs/dbraw/zinc/89/79/62/680897962.db2.gz KMCDBPFRJWNWAB-IWSPIJDZSA-N -1 1 366.798 2.479 20 5 FEBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)n(C)c21 ZINC000768856592 680961882 /nfs/dbraw/zinc/96/18/82/680961882.db2.gz BLPYHPNRWOMZAH-UHFFFAOYSA-N -1 1 366.424 2.330 20 5 FEBDMM CN(Cc1cccs1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044505 680968870 /nfs/dbraw/zinc/96/88/70/680968870.db2.gz ANVGUBIUZLHRHC-UHFFFAOYSA-N -1 1 350.352 2.177 20 5 FEBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000845969867 681167100 /nfs/dbraw/zinc/16/71/00/681167100.db2.gz UUZHJGZCHPELGC-KCJUWKMLSA-N -1 1 368.814 2.463 20 5 FEBDMM CC[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776539787 681401468 /nfs/dbraw/zinc/40/14/68/681401468.db2.gz PAPFMSMOXBJOBX-ZCFIWIBFSA-N -1 1 371.198 2.291 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1COC2(CCC2)C1 ZINC000849449119 681740380 /nfs/dbraw/zinc/74/03/80/681740380.db2.gz WJIGNCIVJMZEJA-MRVPVSSYSA-N -1 1 364.782 2.377 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000788506315 682534460 /nfs/dbraw/zinc/53/44/60/682534460.db2.gz UWJNERMTAKJWRZ-UHFFFAOYSA-N -1 1 370.774 2.489 20 5 FEBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047693 682651577 /nfs/dbraw/zinc/65/15/77/682651577.db2.gz MZYDZVUYEDWSAG-MRVPVSSYSA-N -1 1 368.781 2.220 20 5 FEBDMM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000795200194 683027900 /nfs/dbraw/zinc/02/79/00/683027900.db2.gz LNHHRJUNPXJYMY-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cs1 ZINC000795646127 683076947 /nfs/dbraw/zinc/07/69/47/683076947.db2.gz LYOWOZMTCWWDCZ-QMMMGPOBSA-N -1 1 358.401 2.074 20 5 FEBDMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859300372 683077667 /nfs/dbraw/zinc/07/76/67/683077667.db2.gz YOWCVKWBODOFKZ-SECBINFHSA-N -1 1 368.814 2.463 20 5 FEBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228936 683325197 /nfs/dbraw/zinc/32/51/97/683325197.db2.gz SXNIJSKJBWGQOJ-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000921498850 683485540 /nfs/dbraw/zinc/48/55/40/683485540.db2.gz NOLBORFIDCLOJR-POYBYMJQSA-N -1 1 355.199 2.215 20 5 FEBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000872654647 684996708 /nfs/dbraw/zinc/99/67/08/684996708.db2.gz YOQPTOSCWROWHM-PEUVISTOSA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@]12C[C@H]1COC21CCC1 ZINC000908116448 691617339 /nfs/dbraw/zinc/61/73/39/691617339.db2.gz YYMRALVJYDOLSF-IINYFYTJSA-N -1 1 372.830 2.486 20 5 FEBDMM CN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813057 539837868 /nfs/dbraw/zinc/83/78/68/539837868.db2.gz OZJOJHTZUNDLCF-UHFFFAOYSA-N -1 1 372.200 2.379 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1C ZINC000029433752 539852549 /nfs/dbraw/zinc/85/25/49/539852549.db2.gz FSPJQNPLJMLLFS-UHFFFAOYSA-N -1 1 365.411 2.417 20 5 FEBDMM CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039626 539998367 /nfs/dbraw/zinc/99/83/67/539998367.db2.gz ZWONUCXZHDBSAG-UHFFFAOYSA-N -1 1 367.221 2.062 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)s1 ZINC000064245222 541196598 /nfs/dbraw/zinc/19/65/98/541196598.db2.gz YTLQXESEPVMTSB-UHFFFAOYSA-N -1 1 367.452 2.387 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O ZINC000097271747 543009559 /nfs/dbraw/zinc/00/95/59/543009559.db2.gz MFGOBGXYZSJNAX-DZGCQCFKSA-N -1 1 368.798 2.185 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc21 ZINC000098117659 543022463 /nfs/dbraw/zinc/02/24/63/543022463.db2.gz IVFBLKLHVBHIJJ-LLVKDONJSA-N -1 1 367.452 2.386 20 5 FEBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC000101579225 543035047 /nfs/dbraw/zinc/03/50/47/543035047.db2.gz JGWJDPRADGTOOC-UHFFFAOYSA-N -1 1 369.786 2.165 20 5 FEBDMM COc1ccc(-c2nnc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)s2)cc1 ZINC000130055304 544136926 /nfs/dbraw/zinc/13/69/26/544136926.db2.gz KTWPCRULLQVZPF-UHFFFAOYSA-N -1 1 360.355 2.108 20 5 FEBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 ZINC000145751072 544436075 /nfs/dbraw/zinc/43/60/75/544436075.db2.gz JIZMJKGMGDXJQY-UHFFFAOYSA-N -1 1 370.412 2.055 20 5 FEBDMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189237635 328136584 /nfs/dbraw/zinc/13/65/84/328136584.db2.gz VKAPKUKCTMAGRM-NSHDSACASA-N -1 1 360.345 2.091 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000189533304 328153526 /nfs/dbraw/zinc/15/35/26/328153526.db2.gz MGFSBKLUUGDICC-CQSZACIVSA-N -1 1 365.292 2.187 20 5 FEBDMM Cc1cc([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)ccc1F ZINC000193781520 328395003 /nfs/dbraw/zinc/39/50/03/328395003.db2.gz JUDMXYIWZIDLBN-OAHLLOKOSA-N -1 1 361.329 2.357 20 5 FEBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CO2 ZINC000152565457 326710612 /nfs/dbraw/zinc/71/06/12/326710612.db2.gz GLRRCXGSHARAIZ-ZDUSSCGKSA-N -1 1 352.343 2.454 20 5 FEBDMM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)c1[N+](=O)[O-] ZINC000264609321 329040491 /nfs/dbraw/zinc/04/04/91/329040491.db2.gz NUOOCKJUVLPEBM-UHFFFAOYSA-N -1 1 371.357 2.316 20 5 FEBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000271724199 329719182 /nfs/dbraw/zinc/71/91/82/329719182.db2.gz UIZLJDVUGRVGDD-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccncc1 ZINC000373642585 330247826 /nfs/dbraw/zinc/24/78/26/330247826.db2.gz FHSRFLNZAQPMOZ-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176096628 546406879 /nfs/dbraw/zinc/40/68/79/546406879.db2.gz BGITZVLDIOVSOF-UHFFFAOYSA-N -1 1 358.398 2.257 20 5 FEBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1Oc1ccccc1 ZINC000483950109 561287642 /nfs/dbraw/zinc/28/76/42/561287642.db2.gz CKTUDDUDRLZUAQ-XHSDSOJGSA-N -1 1 373.365 2.050 20 5 FEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000492581849 561451896 /nfs/dbraw/zinc/45/18/96/561451896.db2.gz UOHLZTVIHZMEQV-AWEZNQCLSA-N -1 1 353.338 2.280 20 5 FEBDMM COc1ccccc1N1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000492877572 561453332 /nfs/dbraw/zinc/45/33/32/561453332.db2.gz IOAUALHQICFAKF-UHFFFAOYSA-N -1 1 372.381 2.103 20 5 FEBDMM COC(=O)c1c[n-]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000274880504 550562042 /nfs/dbraw/zinc/56/20/42/550562042.db2.gz CRLFEOHEMFGQCV-UHFFFAOYSA-N -1 1 351.340 2.263 20 5 FEBDMM COc1ccc(COCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277675439 550700305 /nfs/dbraw/zinc/70/03/05/550700305.db2.gz IDEKOCVXLRTTGY-UHFFFAOYSA-N -1 1 361.354 2.041 20 5 FEBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281132410 551066771 /nfs/dbraw/zinc/06/67/71/551066771.db2.gz IVCPRBJTEUGNGI-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281849267 551147818 /nfs/dbraw/zinc/14/78/18/551147818.db2.gz MDMQKGFWYBCGGQ-UHFFFAOYSA-N -1 1 363.340 2.015 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000284695026 551610235 /nfs/dbraw/zinc/61/02/35/551610235.db2.gz PDJAFCWUHTXIJT-UHFFFAOYSA-N -1 1 374.806 2.462 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000284954734 551676317 /nfs/dbraw/zinc/67/63/17/551676317.db2.gz CXWAFCNEEMNWGW-UHFFFAOYSA-N -1 1 366.395 2.465 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nncn1C ZINC000285388364 551748341 /nfs/dbraw/zinc/74/83/41/551748341.db2.gz SMZUNGOPMDHYJX-GFCCVEGCSA-N -1 1 373.822 2.052 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288633643 552188918 /nfs/dbraw/zinc/18/89/18/552188918.db2.gz OFMZOCZTVISXJW-LLVKDONJSA-N -1 1 354.306 2.223 20 5 FEBDMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289803074 552381330 /nfs/dbraw/zinc/38/13/30/552381330.db2.gz JNMNYVCUBAMKSI-BDAKNGLRSA-N -1 1 366.798 2.338 20 5 FEBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290807478 552541783 /nfs/dbraw/zinc/54/17/83/552541783.db2.gz ZFXVGUSWPNFOCX-SNVBAGLBSA-N -1 1 363.340 2.015 20 5 FEBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nn[n-]n1 ZINC000293412397 552820748 /nfs/dbraw/zinc/82/07/48/552820748.db2.gz GHENSIAZABXPHV-SSDOTTSWSA-N -1 1 358.280 2.002 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000508183575 561754467 /nfs/dbraw/zinc/75/44/67/561754467.db2.gz YUSWWOWWVCENPS-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM COc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000508222690 561755803 /nfs/dbraw/zinc/75/58/03/561755803.db2.gz VSAYVRFRXUYPBZ-UHFFFAOYSA-N -1 1 368.367 2.427 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cccc([O-])c1[N+](=O)[O-] ZINC000366803199 555937497 /nfs/dbraw/zinc/93/74/97/555937497.db2.gz RSPNWDLXSVIYQK-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM O=C([N-][C@@H]1COc2ccccc2C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371536453 557213823 /nfs/dbraw/zinc/21/38/23/557213823.db2.gz FJQAHYJESSACKD-CYBMUJFWSA-N -1 1 362.288 2.447 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000518389038 562110432 /nfs/dbraw/zinc/11/04/32/562110432.db2.gz DNMWWDCFVGWWFO-UHFFFAOYSA-N -1 1 366.395 2.329 20 5 FEBDMM Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000521050113 562168513 /nfs/dbraw/zinc/16/85/13/562168513.db2.gz AFBPXNJMEIDXFH-CYBMUJFWSA-N -1 1 351.403 2.370 20 5 FEBDMM O=C([O-])[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)Cc2ccccc21 ZINC000375028934 557966869 /nfs/dbraw/zinc/96/68/69/557966869.db2.gz FTHRQLIULOHAIL-AWEZNQCLSA-N -1 1 366.333 2.295 20 5 FEBDMM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396434956 558623366 /nfs/dbraw/zinc/62/33/66/558623366.db2.gz YNSDIAAVXDADBA-CYBMUJFWSA-N -1 1 356.382 2.399 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000524155195 562224740 /nfs/dbraw/zinc/22/47/40/562224740.db2.gz XIBWRIPQYBRMDG-VIFPVBQESA-N -1 1 356.338 2.071 20 5 FEBDMM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525185837 562242271 /nfs/dbraw/zinc/24/22/71/562242271.db2.gz KWLQZVRURUVFRN-UHFFFAOYSA-N -1 1 365.411 2.298 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000525688600 562252219 /nfs/dbraw/zinc/25/22/19/562252219.db2.gz FARSQKOHMNNGPS-DZGCQCFKSA-N -1 1 363.395 2.188 20 5 FEBDMM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000432930411 559867993 /nfs/dbraw/zinc/86/79/93/559867993.db2.gz FALJOGWTJFWIDD-UHFFFAOYSA-N -1 1 357.282 2.012 20 5 FEBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2C1 ZINC000436954851 559957581 /nfs/dbraw/zinc/95/75/81/559957581.db2.gz YFOQEGUXOXNYQS-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM Cc1oc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1S(=O)(=O)N(C)C ZINC000440602404 560014772 /nfs/dbraw/zinc/01/47/72/560014772.db2.gz YHIPISJRIFYOJH-UHFFFAOYSA-N -1 1 371.346 2.138 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c1 ZINC000443764655 560092099 /nfs/dbraw/zinc/09/20/99/560092099.db2.gz OBLMCVLTVIQSSP-AWEZNQCLSA-N -1 1 372.349 2.026 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000445134265 560129465 /nfs/dbraw/zinc/12/94/65/560129465.db2.gz JOFFEXPWRBPKPI-LBPRGKRZSA-N -1 1 367.365 2.431 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000451660635 560320385 /nfs/dbraw/zinc/32/03/85/560320385.db2.gz GNHPUESAHJGACW-GFCCVEGCSA-N -1 1 356.425 2.192 20 5 FEBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)o1 ZINC000451960292 560340809 /nfs/dbraw/zinc/34/08/09/560340809.db2.gz PMQUIZOXNSJYRG-UHFFFAOYSA-N -1 1 373.362 2.162 20 5 FEBDMM CCOc1cc(C(=O)[N-]c2nc3n(n2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000457161256 560553826 /nfs/dbraw/zinc/55/38/26/560553826.db2.gz VPTOZHQQVAXNED-UHFFFAOYSA-N -1 1 361.358 2.182 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000469109578 560947502 /nfs/dbraw/zinc/94/75/02/560947502.db2.gz WRIBFLXBRMKVLP-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000530677336 562420150 /nfs/dbraw/zinc/42/01/50/562420150.db2.gz IZBBWUFYRBZXLK-ZDUSSCGKSA-N -1 1 365.436 2.299 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000531002849 562431603 /nfs/dbraw/zinc/43/16/03/562431603.db2.gz LMRSDBFCUOWOKI-LBPRGKRZSA-N -1 1 369.374 2.265 20 5 FEBDMM COc1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1[N+](=O)[O-] ZINC000535174885 562552601 /nfs/dbraw/zinc/55/26/01/562552601.db2.gz SNDFIJSCDUNTHI-UHFFFAOYSA-N -1 1 371.378 2.120 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1 ZINC000541800914 562619903 /nfs/dbraw/zinc/61/99/03/562619903.db2.gz QBHSXULJXCOUEQ-UHFFFAOYSA-N -1 1 361.379 2.256 20 5 FEBDMM CCSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000821460802 599190175 /nfs/dbraw/zinc/19/01/75/599190175.db2.gz DSHKAJSNLDAVMN-UHFFFAOYSA-N -1 1 368.429 2.285 20 5 FEBDMM CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737347759 600196979 /nfs/dbraw/zinc/19/69/79/600196979.db2.gz FKOJFVDDOJQFCU-HNNXBMFYSA-N -1 1 354.322 2.369 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826498657 607449248 /nfs/dbraw/zinc/44/92/48/607449248.db2.gz DOGMNAJRGNQGQQ-UHFFFAOYSA-N -1 1 351.370 2.102 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826498657 607449249 /nfs/dbraw/zinc/44/92/49/607449249.db2.gz DOGMNAJRGNQGQQ-UHFFFAOYSA-N -1 1 351.370 2.102 20 5 FEBDMM CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000830950430 600834292 /nfs/dbraw/zinc/83/42/92/600834292.db2.gz KWYYORDWGPBRHI-UHFFFAOYSA-N -1 1 361.398 2.384 20 5 FEBDMM Cc1cc(F)cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000832887543 602168332 /nfs/dbraw/zinc/16/83/32/602168332.db2.gz KHHCORWARAHDNY-UHFFFAOYSA-N -1 1 354.319 2.163 20 5 FEBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809820353 674512536 /nfs/dbraw/zinc/51/25/36/674512536.db2.gz VQOKMJBAUSQTOP-LBPRGKRZSA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809820352 674512588 /nfs/dbraw/zinc/51/25/88/674512588.db2.gz VQOKMJBAUSQTOP-GFCCVEGCSA-N -1 1 369.226 2.341 20 5 FEBDMM CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000828114726 603987502 /nfs/dbraw/zinc/98/75/02/603987502.db2.gz LYRRUPRVHQKPQU-UHFFFAOYSA-N -1 1 370.793 2.261 20 5 FEBDMM C[C@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567932 604807541 /nfs/dbraw/zinc/80/75/41/604807541.db2.gz ASJOLZXGPUOYMX-OTYXRUKQSA-N -1 1 360.363 2.046 20 5 FEBDMM COc1ccc(OCCSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821846739 606704768 /nfs/dbraw/zinc/70/47/68/606704768.db2.gz ZFRVFBDZGVQBIC-UHFFFAOYSA-N -1 1 374.382 2.350 20 5 FEBDMM COc1ccc(OCCSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821846739 606704769 /nfs/dbraw/zinc/70/47/69/606704769.db2.gz ZFRVFBDZGVQBIC-UHFFFAOYSA-N -1 1 374.382 2.350 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCc2ccccc2N1 ZINC000823620200 606707364 /nfs/dbraw/zinc/70/73/64/606707364.db2.gz IEMMJBBIUXJFOK-NSHDSACASA-N -1 1 352.358 2.009 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCc2ccccc2N1 ZINC000823620200 606707365 /nfs/dbraw/zinc/70/73/65/606707365.db2.gz IEMMJBBIUXJFOK-NSHDSACASA-N -1 1 352.358 2.009 20 5 FEBDMM COc1ccccc1OCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821903522 606707770 /nfs/dbraw/zinc/70/77/70/606707770.db2.gz HGWOBJNUXXWCBJ-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM COc1ccccc1OCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821903522 606707772 /nfs/dbraw/zinc/70/77/72/606707772.db2.gz HGWOBJNUXXWCBJ-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM COc1cccc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821862894 606710037 /nfs/dbraw/zinc/71/00/37/606710037.db2.gz GFFPTIKMCDBFRI-JTQLQIEISA-N -1 1 355.358 2.222 20 5 FEBDMM COc1cccc(C[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821862894 606710039 /nfs/dbraw/zinc/71/00/39/606710039.db2.gz GFFPTIKMCDBFRI-JTQLQIEISA-N -1 1 355.358 2.222 20 5 FEBDMM Cc1cc(=O)oc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc12 ZINC000822161821 607161429 /nfs/dbraw/zinc/16/14/29/607161429.db2.gz UQJFVDGGBVNTEH-UHFFFAOYSA-N -1 1 366.293 2.377 20 5 FEBDMM Cc1cc(=O)oc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc12 ZINC000822161821 607161431 /nfs/dbraw/zinc/16/14/31/607161431.db2.gz UQJFVDGGBVNTEH-UHFFFAOYSA-N -1 1 366.293 2.377 20 5 FEBDMM CN(CCCOc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821600236 607167262 /nfs/dbraw/zinc/16/72/62/607167262.db2.gz DIBLNZYFGYAZAV-UHFFFAOYSA-N -1 1 355.358 2.075 20 5 FEBDMM CN(CCCOc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821600236 607167264 /nfs/dbraw/zinc/16/72/64/607167264.db2.gz DIBLNZYFGYAZAV-UHFFFAOYSA-N -1 1 355.358 2.075 20 5 FEBDMM O=C1CCCN1c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823530258 607168109 /nfs/dbraw/zinc/16/81/09/607168109.db2.gz GHTIXJXXLGZKFK-UHFFFAOYSA-N -1 1 366.341 2.040 20 5 FEBDMM O=C1CCCN1c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823530258 607168111 /nfs/dbraw/zinc/16/81/11/607168111.db2.gz GHTIXJXXLGZKFK-UHFFFAOYSA-N -1 1 366.341 2.040 20 5 FEBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826465810 609340642 /nfs/dbraw/zinc/34/06/42/609340642.db2.gz DNAVQPMMSTYUMA-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826465810 609340644 /nfs/dbraw/zinc/34/06/44/609340644.db2.gz DNAVQPMMSTYUMA-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM C[C@H](C[N+](=O)[O-])OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000814041086 674813899 /nfs/dbraw/zinc/81/38/99/674813899.db2.gz NBZAWBZRBUMFCX-GFCCVEGCSA-N -1 1 364.379 2.309 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000815018171 674897819 /nfs/dbraw/zinc/89/78/19/674897819.db2.gz IPJLSHPZBFOGNV-HTQZYQBOSA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000815028358 674901842 /nfs/dbraw/zinc/90/18/42/674901842.db2.gz YYUSZJIIWCSHGS-JTQLQIEISA-N -1 1 374.781 2.466 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029247 674902460 /nfs/dbraw/zinc/90/24/60/674902460.db2.gz PJCHWXSCZNHOFB-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000815074940 674912210 /nfs/dbraw/zinc/91/22/10/674912210.db2.gz JGWGSVRBCISEJL-LBPRGKRZSA-N -1 1 360.407 2.201 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)O ZINC000815081611 674913318 /nfs/dbraw/zinc/91/33/18/674913318.db2.gz JTRIASQIYFSHEE-NSHDSACASA-N -1 1 354.787 2.215 20 5 FEBDMM O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC000006062239 669957136 /nfs/dbraw/zinc/95/71/36/669957136.db2.gz LZUJVGQZVHMVDW-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000038039667 670139404 /nfs/dbraw/zinc/13/94/04/670139404.db2.gz CMYDAFCVBZTUNY-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571573163 670894899 /nfs/dbraw/zinc/89/48/99/670894899.db2.gz WENQYXODSREINH-MWLCHTKSSA-N -1 1 350.824 2.324 20 5 FEBDMM CC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1O ZINC000575944216 671332829 /nfs/dbraw/zinc/33/28/29/671332829.db2.gz GOFURDVBPJMJFD-UHFFFAOYSA-N -1 1 366.351 2.318 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c([N+](=O)[O-])c1 ZINC000576677232 671385871 /nfs/dbraw/zinc/38/58/71/671385871.db2.gz RXAHRVPNJZHFIU-UHFFFAOYSA-N -1 1 366.277 2.146 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000120853666 671937017 /nfs/dbraw/zinc/93/70/17/671937017.db2.gz IMDLSIIUFYIACU-CYBMUJFWSA-N -1 1 356.787 2.260 20 5 FEBDMM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265200 675962668 /nfs/dbraw/zinc/96/26/68/675962668.db2.gz IZHVGWMRKBGCEY-GOEBONIOSA-N -1 1 363.395 2.007 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000610267291 675963571 /nfs/dbraw/zinc/96/35/71/675963571.db2.gz OSFILZHLLUXFRE-JTQLQIEISA-N -1 1 371.802 2.389 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCC2 ZINC000610269601 675963887 /nfs/dbraw/zinc/96/38/87/675963887.db2.gz VLWPGZKJOWDCSL-OLZOCXBDSA-N -1 1 355.416 2.006 20 5 FEBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000128775765 672053112 /nfs/dbraw/zinc/05/31/12/672053112.db2.gz DOAIDSHXAIEQRH-SNVBAGLBSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000160053787 672288444 /nfs/dbraw/zinc/28/84/44/672288444.db2.gz AJBDMYYIVGWEII-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(CC)CC ZINC000611106563 676017936 /nfs/dbraw/zinc/01/79/36/676017936.db2.gz WXXDDBHINGRVBP-CHWSQXEVSA-N -1 1 374.463 2.073 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000594696004 673117757 /nfs/dbraw/zinc/11/77/57/673117757.db2.gz CBGUAPCEUXLGNP-UHFFFAOYSA-N -1 1 364.379 2.477 20 5 FEBDMM COc1cc(CN2CC3CC2(C(=O)[O-])C3)c([N+](=O)[O-])cc1OC(F)F ZINC000594733726 673126423 /nfs/dbraw/zinc/12/64/23/673126423.db2.gz DCJFRKKDUFIASX-UHFFFAOYSA-N -1 1 358.297 2.254 20 5 FEBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594752296 673129357 /nfs/dbraw/zinc/12/93/57/673129357.db2.gz NXPFHZWQQKPCNX-NSHDSACASA-N -1 1 351.384 2.428 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000733322390 673409563 /nfs/dbraw/zinc/40/95/63/673409563.db2.gz UJFPCXQFLALRTR-SECBINFHSA-N -1 1 362.713 2.104 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000539796960 673506944 /nfs/dbraw/zinc/50/69/44/673506944.db2.gz BXPYNXULKCEFDG-GFCCVEGCSA-N -1 1 367.358 2.321 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000543689029 673663077 /nfs/dbraw/zinc/66/30/77/673663077.db2.gz JAVWCOLIDVCAAI-UHFFFAOYSA-N -1 1 369.786 2.057 20 5 FEBDMM Cc1cccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000547872904 673895436 /nfs/dbraw/zinc/89/54/36/673895436.db2.gz QWCCWKFSHOWMNH-CYBMUJFWSA-N -1 1 368.342 2.147 20 5 FEBDMM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548262224 673944420 /nfs/dbraw/zinc/94/44/20/673944420.db2.gz JAVDVEOKDHWATK-MWLCHTKSSA-N -1 1 362.379 2.292 20 5 FEBDMM CC(C)(C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548535123 673967228 /nfs/dbraw/zinc/96/72/28/673967228.db2.gz LUOXCLUKXRYGSD-SECBINFHSA-N -1 1 362.379 2.149 20 5 FEBDMM CC(C)(CCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000829468888 675880106 /nfs/dbraw/zinc/88/01/06/675880106.db2.gz SUONGPBWLLWXQL-GFCCVEGCSA-N -1 1 370.772 2.033 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000619467883 676378255 /nfs/dbraw/zinc/37/82/55/676378255.db2.gz KPICOUSESOWJRA-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000619868263 676397724 /nfs/dbraw/zinc/39/77/24/676397724.db2.gz GSXQQAUDMBABDR-SNVBAGLBSA-N -1 1 366.761 2.286 20 5 FEBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000760605632 680694478 /nfs/dbraw/zinc/69/44/78/680694478.db2.gz KLYVOPVPZVPZBM-UHFFFAOYSA-N -1 1 369.374 2.049 20 5 FEBDMM C[C@@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000840206835 680807444 /nfs/dbraw/zinc/80/74/44/680807444.db2.gz JNBBZLDHOZLIJX-SNVBAGLBSA-N -1 1 368.411 2.315 20 5 FEBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000831762271 680039751 /nfs/dbraw/zinc/03/97/51/680039751.db2.gz CURYAQNPPPTYTA-QMMMGPOBSA-N -1 1 354.787 2.481 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](C)O ZINC000832308758 680122304 /nfs/dbraw/zinc/12/23/04/680122304.db2.gz CWMLFMSUUKQEDK-HTRCEHHLSA-N -1 1 357.215 2.339 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2nccn21 ZINC000832426694 680133301 /nfs/dbraw/zinc/13/33/01/680133301.db2.gz ITUWFTIKJUDCNV-SCZZXKLOSA-N -1 1 356.791 2.429 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(Cl)cc1Cl ZINC000832654395 680160309 /nfs/dbraw/zinc/16/03/09/680160309.db2.gz NEFKFGQCMFEKQW-NSHDSACASA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000841535951 680893993 /nfs/dbraw/zinc/89/39/93/680893993.db2.gz XJEUUMHOWGYKGB-YUMQZZPRSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000769048672 680969153 /nfs/dbraw/zinc/96/91/53/680969153.db2.gz REBPWGRSLHFZPT-SECBINFHSA-N -1 1 350.352 2.396 20 5 FEBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770617688 681022073 /nfs/dbraw/zinc/02/20/73/681022073.db2.gz FKCRBXZFHPSLJV-UHFFFAOYSA-N -1 1 352.690 2.187 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000845976454 681168214 /nfs/dbraw/zinc/16/82/14/681168214.db2.gz CAQOLJUIONFOJH-CQSZACIVSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000774933468 681252788 /nfs/dbraw/zinc/25/27/88/681252788.db2.gz JXYPMSSZWYSMGU-UHFFFAOYSA-N -1 1 359.260 2.302 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cnc1Cl ZINC000776443108 681392814 /nfs/dbraw/zinc/39/28/14/681392814.db2.gz CQXHIZGVORNIMK-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM CO[C@@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000848583170 681582925 /nfs/dbraw/zinc/58/29/25/681582925.db2.gz PDXMAVJAMAMSHN-VIFPVBQESA-N -1 1 358.219 2.260 20 5 FEBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000778610783 681629826 /nfs/dbraw/zinc/62/98/26/681629826.db2.gz VMOXOCLIRPKMEV-UHFFFAOYSA-N -1 1 371.459 2.220 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(OC)OC ZINC000849405654 681716882 /nfs/dbraw/zinc/71/68/82/681716882.db2.gz MUYGDENEBNMRDN-SECBINFHSA-N -1 1 370.786 2.063 20 5 FEBDMM CCOC(=O)CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000788713652 682553383 /nfs/dbraw/zinc/55/33/83/682553383.db2.gz NXAGDQOAZMWMTL-UHFFFAOYSA-N -1 1 374.390 2.278 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@]12CCC[C@H]1OCC2 ZINC000921588542 683511841 /nfs/dbraw/zinc/51/18/41/683511841.db2.gz GNJGWOLRVHGURN-TZMCWYRMSA-N -1 1 360.819 2.486 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1F ZINC000866984130 684191262 /nfs/dbraw/zinc/19/12/62/684191262.db2.gz NLYTYSXPAXPFNU-NSHDSACASA-N -1 1 358.391 2.422 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)s1 ZINC000064243908 541196774 /nfs/dbraw/zinc/19/67/74/541196774.db2.gz YYEVMGGUDQOAQP-UHFFFAOYSA-N -1 1 366.424 2.375 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C(N)=O)c1 ZINC000066587124 541341665 /nfs/dbraw/zinc/34/16/65/541341665.db2.gz VWJDOIPAWDDBTM-UHFFFAOYSA-N -1 1 363.395 2.365 20 5 FEBDMM CCn1c(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[n-]c1=S ZINC000067078286 541414726 /nfs/dbraw/zinc/41/47/26/541414726.db2.gz YRBVFCLPUZBZEW-UHFFFAOYSA-N -1 1 355.807 2.495 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000074969410 542142223 /nfs/dbraw/zinc/14/22/23/542142223.db2.gz OSGONBZLGUPFLV-LLVKDONJSA-N -1 1 360.388 2.461 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2oc(=O)n(C)c2c1 ZINC000102320882 543064653 /nfs/dbraw/zinc/06/46/53/543064653.db2.gz KFUBPVHSGQTZFK-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)s1 ZINC000125662458 543894541 /nfs/dbraw/zinc/89/45/41/543894541.db2.gz PLJJFSRWGJTSPY-UHFFFAOYSA-N -1 1 356.429 2.446 20 5 FEBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128779568 544072209 /nfs/dbraw/zinc/07/22/09/544072209.db2.gz IAHIAANSWHMCNB-VIFPVBQESA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000130489283 544153102 /nfs/dbraw/zinc/15/31/02/544153102.db2.gz QLOPXQGRLFYVFZ-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153437735 544775577 /nfs/dbraw/zinc/77/55/77/544775577.db2.gz DTFKMCANJSPPTC-HJIKLVIJSA-N -1 1 360.819 2.340 20 5 FEBDMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187547938 328032507 /nfs/dbraw/zinc/03/25/07/328032507.db2.gz PXZASCQZRRWXER-LLVKDONJSA-N -1 1 368.353 2.109 20 5 FEBDMM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)cc1 ZINC000190912953 328239909 /nfs/dbraw/zinc/23/99/09/328239909.db2.gz GQUSBTOXJZWMJL-INIZCTEOSA-N -1 1 357.366 2.472 20 5 FEBDMM C[C@H](O)[C@@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000192066385 328297854 /nfs/dbraw/zinc/29/78/54/328297854.db2.gz KVVUDJFKWMXJGB-KPZWWZAWSA-N -1 1 359.382 2.055 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000193978300 328405002 /nfs/dbraw/zinc/40/50/02/328405002.db2.gz QMYQAJFUKVVJCI-OAHLLOKOSA-N -1 1 357.366 2.169 20 5 FEBDMM C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CC1 ZINC000483862229 561285236 /nfs/dbraw/zinc/28/52/36/561285236.db2.gz KUKVCTQIHPYJMR-QGZVFWFLSA-N -1 1 370.409 2.336 20 5 FEBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000182807909 547555061 /nfs/dbraw/zinc/55/50/61/547555061.db2.gz KFSBCHZZJZOCFI-VIFPVBQESA-N -1 1 350.824 2.324 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000484123370 561291991 /nfs/dbraw/zinc/29/19/91/561291991.db2.gz PISAJUQXCYMRPX-SECBINFHSA-N -1 1 356.338 2.071 20 5 FEBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000490556054 561435076 /nfs/dbraw/zinc/43/50/76/561435076.db2.gz NGCUJFHTMOUMNV-UHFFFAOYSA-N -1 1 369.399 2.331 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000492961410 561453681 /nfs/dbraw/zinc/45/36/81/561453681.db2.gz NWDFXNNJTODDPO-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000276841137 550602067 /nfs/dbraw/zinc/60/20/67/550602067.db2.gz PTUGMXRANOSYLY-SECBINFHSA-N -1 1 356.429 2.411 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000276841146 550602150 /nfs/dbraw/zinc/60/21/50/550602150.db2.gz PTUGMXRANOSYLY-VIFPVBQESA-N -1 1 356.429 2.411 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000282738280 551265115 /nfs/dbraw/zinc/26/51/15/551265115.db2.gz IPNJJSPFALUTKU-UHFFFAOYSA-N -1 1 368.393 2.363 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000284664808 551602172 /nfs/dbraw/zinc/60/21/72/551602172.db2.gz MWYCKGOGBARYLF-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290491251 552487467 /nfs/dbraw/zinc/48/74/67/552487467.db2.gz XMOHPRXKFWJFPK-GFCCVEGCSA-N -1 1 373.331 2.054 20 5 FEBDMM COc1cccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000290766430 552534666 /nfs/dbraw/zinc/53/46/66/552534666.db2.gz UVZRHBDSQPJKTQ-SNVBAGLBSA-N -1 1 361.320 2.498 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000290909978 552560107 /nfs/dbraw/zinc/56/01/07/552560107.db2.gz GRUJDHBTNBKUBH-UHFFFAOYSA-N -1 1 350.400 2.473 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000295206946 552969898 /nfs/dbraw/zinc/96/98/98/552969898.db2.gz UBDHMZSMSMQNKK-NSHDSACASA-N -1 1 355.199 2.359 20 5 FEBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295461547 553010700 /nfs/dbraw/zinc/01/07/00/553010700.db2.gz ZQMZLFZQBVSNAL-UHFFFAOYSA-N -1 1 354.787 2.074 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000332014005 554364255 /nfs/dbraw/zinc/36/42/55/554364255.db2.gz YOQBEEJHXATXMW-INIZCTEOSA-N -1 1 364.427 2.341 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000510446262 561834830 /nfs/dbraw/zinc/83/48/30/561834830.db2.gz HWORHXOLXZFZOA-GFCCVEGCSA-N -1 1 373.822 2.052 20 5 FEBDMM COc1ccc([C@@H](C)NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000351021143 554829996 /nfs/dbraw/zinc/82/99/96/554829996.db2.gz PMWVDSDGGDWMPQ-SNVBAGLBSA-N -1 1 371.353 2.401 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364950042 555447922 /nfs/dbraw/zinc/44/79/22/555447922.db2.gz ANTYYDUIPRGTGF-IINYFYTJSA-N -1 1 366.370 2.233 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CC1)OCc1ccccc12 ZINC000366041134 555734383 /nfs/dbraw/zinc/73/43/83/555734383.db2.gz HSOCIZMGIKZDBU-UHFFFAOYSA-N -1 1 355.350 2.357 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000369312374 556571606 /nfs/dbraw/zinc/57/16/06/556571606.db2.gz OAZPURPWCZFIJK-UHFFFAOYSA-N -1 1 371.393 2.153 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)s1 ZINC000371683911 557262250 /nfs/dbraw/zinc/26/22/50/557262250.db2.gz WEWJUUHWADNKLH-LBPRGKRZSA-N -1 1 354.409 2.249 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000371932827 557332522 /nfs/dbraw/zinc/33/25/22/557332522.db2.gz QTTWQAKDJCHMKD-GFCCVEGCSA-N -1 1 352.343 2.287 20 5 FEBDMM CCc1ccc([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCN2)cc1 ZINC000374320044 557864991 /nfs/dbraw/zinc/86/49/91/557864991.db2.gz FBTYKMYSQQGWGY-OAHLLOKOSA-N -1 1 356.382 2.045 20 5 FEBDMM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000374514092 557893504 /nfs/dbraw/zinc/89/35/04/557893504.db2.gz MXQGDXFZDNHGGM-GFCCVEGCSA-N -1 1 370.818 2.338 20 5 FEBDMM CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000392103968 558615950 /nfs/dbraw/zinc/61/59/50/558615950.db2.gz NDHMTVGSZVJJTE-UHFFFAOYSA-N -1 1 353.356 2.224 20 5 FEBDMM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396432796 558622977 /nfs/dbraw/zinc/62/29/77/558622977.db2.gz WLBKDKGSWVDXCX-CYBMUJFWSA-N -1 1 356.382 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000407990622 558636080 /nfs/dbraw/zinc/63/60/80/558636080.db2.gz NUVVUKISXBZOGK-RWMBFGLXSA-N -1 1 356.448 2.448 20 5 FEBDMM O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300973 559695384 /nfs/dbraw/zinc/69/53/84/559695384.db2.gz LTFWSLHPTDFHNS-VIFPVBQESA-N -1 1 357.326 2.185 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nccnc3c2)c1 ZINC000432202966 559854143 /nfs/dbraw/zinc/85/41/43/559854143.db2.gz LMVKAXCLCGXNTP-UHFFFAOYSA-N -1 1 374.334 2.037 20 5 FEBDMM COC(=O)c1ccc([O-])c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000436501624 559943327 /nfs/dbraw/zinc/94/33/27/559943327.db2.gz DOFRBWZEBIJAJD-UHFFFAOYSA-N -1 1 360.322 2.413 20 5 FEBDMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440315683 560008754 /nfs/dbraw/zinc/00/87/54/560008754.db2.gz LVRFYFBLHUPYTH-UHFFFAOYSA-N -1 1 367.365 2.212 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000451643458 560318874 /nfs/dbraw/zinc/31/88/74/560318874.db2.gz UCZOZUIKTKDGAQ-ZDUSSCGKSA-N -1 1 364.427 2.210 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000474419644 561073599 /nfs/dbraw/zinc/07/35/99/561073599.db2.gz BTWPPAYMTLQRSM-UHFFFAOYSA-N -1 1 354.388 2.326 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000533006729 562495490 /nfs/dbraw/zinc/49/54/90/562495490.db2.gz KPHNCPKSTPENGQ-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533174472 562500451 /nfs/dbraw/zinc/50/04/51/562500451.db2.gz LKUXGUKAMLEFKU-CQSZACIVSA-N -1 1 364.427 2.111 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533177740 562500472 /nfs/dbraw/zinc/50/04/72/562500472.db2.gz DZGHSYLTVCBQLJ-LBPRGKRZSA-N -1 1 366.443 2.456 20 5 FEBDMM CS(=O)(=O)c1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1 ZINC000534210579 562527555 /nfs/dbraw/zinc/52/75/55/562527555.db2.gz SNPQBMUYWQZEGM-UHFFFAOYSA-N -1 1 354.315 2.095 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000542056117 562626093 /nfs/dbraw/zinc/62/60/93/562626093.db2.gz HDUXCUAPIPBNFR-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000549732155 562638848 /nfs/dbraw/zinc/63/88/48/562638848.db2.gz DGKCMELGFZVIQT-SNVBAGLBSA-N -1 1 357.326 2.185 20 5 FEBDMM O=C(NCc1ccc(N2CCCCC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603905386 568180900 /nfs/dbraw/zinc/18/09/00/568180900.db2.gz IBKUERWWWJHYOB-UHFFFAOYSA-N -1 1 357.370 2.011 20 5 FEBDMM C[N@H+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000570283608 568472280 /nfs/dbraw/zinc/47/22/80/568472280.db2.gz YPYQCQKHUCBDPL-CQSZACIVSA-N -1 1 356.382 2.051 20 5 FEBDMM CN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000570283608 568472282 /nfs/dbraw/zinc/47/22/82/568472282.db2.gz YPYQCQKHUCBDPL-CQSZACIVSA-N -1 1 356.382 2.051 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnco3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651115 599154233 /nfs/dbraw/zinc/15/42/33/599154233.db2.gz GKDIIGLJYAABEV-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnco3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651115 599154237 /nfs/dbraw/zinc/15/42/37/599154237.db2.gz GKDIIGLJYAABEV-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809821351 674512955 /nfs/dbraw/zinc/51/29/55/674512955.db2.gz LOAJMHBBHXAVFZ-SNVBAGLBSA-N -1 1 354.787 2.337 20 5 FEBDMM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833196 674514466 /nfs/dbraw/zinc/51/44/66/674514466.db2.gz YIEZPSSUIPDQEE-MADCSZMMSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823712538 603630454 /nfs/dbraw/zinc/63/04/54/603630454.db2.gz JGJMLVCXFSKOPQ-LLVKDONJSA-N -1 1 352.391 2.147 20 5 FEBDMM CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000828426369 603981094 /nfs/dbraw/zinc/98/10/94/603981094.db2.gz BVNZLFNUYVBYTM-UHFFFAOYSA-N -1 1 361.358 2.219 20 5 FEBDMM C[C@@H](CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000827450168 604746716 /nfs/dbraw/zinc/74/67/16/604746716.db2.gz SNSJSIAUDSGCIQ-VIFPVBQESA-N -1 1 355.778 2.372 20 5 FEBDMM COc1cc(CN(C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC000833887202 605530823 /nfs/dbraw/zinc/53/08/23/605530823.db2.gz NSKINHITSNSMOW-UHFFFAOYSA-N -1 1 353.375 2.186 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)c([N+](=O)[O-])n1 ZINC000559139876 674529592 /nfs/dbraw/zinc/52/95/92/674529592.db2.gz RKIDANRLZNFADA-UHFFFAOYSA-N -1 1 364.427 2.255 20 5 FEBDMM Cc1ccc(OCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822263718 606705591 /nfs/dbraw/zinc/70/55/91/606705591.db2.gz YALCZPZCKLTRTA-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM Cc1ccc(OCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822263718 606705593 /nfs/dbraw/zinc/70/55/93/606705593.db2.gz YALCZPZCKLTRTA-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000823625004 606712816 /nfs/dbraw/zinc/71/28/16/606712816.db2.gz NUURQIQGTLCNAF-GFCCVEGCSA-N -1 1 369.341 2.081 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000823625004 606712817 /nfs/dbraw/zinc/71/28/17/606712817.db2.gz NUURQIQGTLCNAF-GFCCVEGCSA-N -1 1 369.341 2.081 20 5 FEBDMM CCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821422507 607162557 /nfs/dbraw/zinc/16/25/57/607162557.db2.gz XTDDSWYPWOKAGQ-UHFFFAOYSA-N -1 1 357.330 2.321 20 5 FEBDMM CCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821422507 607162559 /nfs/dbraw/zinc/16/25/59/607162559.db2.gz XTDDSWYPWOKAGQ-UHFFFAOYSA-N -1 1 357.330 2.321 20 5 FEBDMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000824064261 607997148 /nfs/dbraw/zinc/99/71/48/607997148.db2.gz FIIWTEGNJPIUHI-UHFFFAOYSA-N -1 1 368.353 2.397 20 5 FEBDMM CCOc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000825631496 607998434 /nfs/dbraw/zinc/99/84/34/607998434.db2.gz BLWZIVLDXUFIBT-UHFFFAOYSA-N -1 1 370.325 2.132 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000814995317 674893969 /nfs/dbraw/zinc/89/39/69/674893969.db2.gz GUULHVXUMOPYGI-QMMMGPOBSA-N -1 1 352.771 2.092 20 5 FEBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029248 674902422 /nfs/dbraw/zinc/90/24/22/674902422.db2.gz PJCHWXSCZNHOFB-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000815074939 674912279 /nfs/dbraw/zinc/91/22/79/674912279.db2.gz JGWGSVRBCISEJL-GFCCVEGCSA-N -1 1 360.407 2.201 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000815079024 674913395 /nfs/dbraw/zinc/91/33/95/674913395.db2.gz KWDVAXQBFSWTFU-LLVKDONJSA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cn1cccn1 ZINC000101572330 670769103 /nfs/dbraw/zinc/76/91/03/670769103.db2.gz JIVICFZFYDETEZ-JTQLQIEISA-N -1 1 358.807 2.059 20 5 FEBDMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2NC1=O ZINC000609396733 675921408 /nfs/dbraw/zinc/92/14/08/675921408.db2.gz ATZKULQNOAEINN-SECBINFHSA-N -1 1 363.351 2.115 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1F ZINC000580271648 671793850 /nfs/dbraw/zinc/79/38/50/671793850.db2.gz RTNMKBDTQTVIFY-UHFFFAOYSA-N -1 1 351.359 2.485 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000132182266 672095574 /nfs/dbraw/zinc/09/55/74/672095574.db2.gz KFBFHLHFGBUZMD-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1=O ZINC000158644167 672271198 /nfs/dbraw/zinc/27/11/98/672271198.db2.gz ORWGGWXOCBFNCZ-UHFFFAOYSA-N -1 1 357.775 2.231 20 5 FEBDMM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccn1 ZINC000161232148 672296296 /nfs/dbraw/zinc/29/62/96/672296296.db2.gz MTCWVKMROFNAED-UHFFFAOYSA-N -1 1 369.374 2.395 20 5 FEBDMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170660551 672323763 /nfs/dbraw/zinc/32/37/63/672323763.db2.gz VSMNRTWLWMHICN-UHFFFAOYSA-N -1 1 372.834 2.120 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000173388110 672350729 /nfs/dbraw/zinc/35/07/29/672350729.db2.gz ABMHETNTYVBCHC-STQMWFEESA-N -1 1 358.391 2.360 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000611105262 676017343 /nfs/dbraw/zinc/01/73/43/676017343.db2.gz LEILYGZYOLZJNP-QMMMGPOBSA-N -1 1 360.342 2.129 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000611108710 676018330 /nfs/dbraw/zinc/01/83/30/676018330.db2.gz HMBAYXMCFKSXKD-GFCCVEGCSA-N -1 1 352.416 2.202 20 5 FEBDMM Cc1ccccc1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194353204 672757504 /nfs/dbraw/zinc/75/75/04/672757504.db2.gz AJCGJVBXQOCSFY-UHFFFAOYSA-N -1 1 354.359 2.400 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(C)cc3)CCC2)c([N+](=O)[O-])n1 ZINC000592108504 672758615 /nfs/dbraw/zinc/75/86/15/672758615.db2.gz QOTDIEIJZYUVDY-UHFFFAOYSA-N -1 1 364.427 2.477 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000592350598 672790037 /nfs/dbraw/zinc/79/00/37/672790037.db2.gz XDDHBAFDMHRZPM-OAHLLOKOSA-N -1 1 358.416 2.087 20 5 FEBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)on1 ZINC000593552124 672940960 /nfs/dbraw/zinc/94/09/60/672940960.db2.gz IJJBNLYITRMXLO-UHFFFAOYSA-N -1 1 354.388 2.360 20 5 FEBDMM COc1ccnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1F ZINC000594856906 673166372 /nfs/dbraw/zinc/16/63/72/673166372.db2.gz KQPMETXRSIUWNX-UHFFFAOYSA-N -1 1 369.374 2.233 20 5 FEBDMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462676968 673274067 /nfs/dbraw/zinc/27/40/67/673274067.db2.gz DBGOBVJNZGRSGS-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c(C)c1[N+](=O)[O-] ZINC000598734899 673604627 /nfs/dbraw/zinc/60/46/27/673604627.db2.gz QKUMKULFVHBLAO-UHFFFAOYSA-N -1 1 350.400 2.473 20 5 FEBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000599209452 673641698 /nfs/dbraw/zinc/64/16/98/673641698.db2.gz SDQQXYYMIXAALJ-CQSZACIVSA-N -1 1 368.415 2.013 20 5 FEBDMM CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600140841 673743992 /nfs/dbraw/zinc/74/39/92/673743992.db2.gz FHPOEEBINDUJJY-INIZCTEOSA-N -1 1 351.359 2.032 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000546870833 673823986 /nfs/dbraw/zinc/82/39/86/673823986.db2.gz SKFFNVJJCLDKOU-LBPRGKRZSA-N -1 1 352.416 2.283 20 5 FEBDMM Cc1ccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548199198 673933072 /nfs/dbraw/zinc/93/30/72/673933072.db2.gz KTYQNPISTHFUSM-ZDUSSCGKSA-N -1 1 368.342 2.147 20 5 FEBDMM O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548225308 673937947 /nfs/dbraw/zinc/93/79/47/673937947.db2.gz BRAGOKBHNZUFTA-NSHDSACASA-N -1 1 360.363 2.046 20 5 FEBDMM CC1(C)C[C@@](C)([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)O1 ZINC000820735023 675383433 /nfs/dbraw/zinc/38/34/33/675383433.db2.gz NYNSPBBKIQYMDX-CYBMUJFWSA-N -1 1 362.791 2.011 20 5 FEBDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828075728 675796432 /nfs/dbraw/zinc/79/64/32/675796432.db2.gz ISVGDZWKIKZSRJ-GXSJLCMTSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCC2)c1Cl ZINC000830599655 677050206 /nfs/dbraw/zinc/05/02/06/677050206.db2.gz UMDDETVZVOMWJY-UHFFFAOYSA-N -1 1 369.226 2.485 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c1Cl ZINC000832654288 680160434 /nfs/dbraw/zinc/16/04/34/680160434.db2.gz MAKGCFQXCPXIIO-JTQLQIEISA-N -1 1 369.226 2.341 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000841538317 680894196 /nfs/dbraw/zinc/89/41/96/680894196.db2.gz DSEKWNVJTSOKAO-UHFFFAOYSA-N -1 1 373.822 2.142 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccn(C)n1 ZINC000841552365 680896229 /nfs/dbraw/zinc/89/62/29/680896229.db2.gz WBSVBYHFPSFLRH-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841561993 680898268 /nfs/dbraw/zinc/89/82/68/680898268.db2.gz SGMNHAGEQBYMLA-ZWNOBZJWSA-N -1 1 350.824 2.322 20 5 FEBDMM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841938 680960791 /nfs/dbraw/zinc/96/07/91/680960791.db2.gz KFZSFYCQSGEUDW-GFCCVEGCSA-N -1 1 370.408 2.467 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000768865511 680962318 /nfs/dbraw/zinc/96/23/18/680962318.db2.gz KIMSKWIXGKZCFR-CLTRCRFRSA-N -1 1 374.465 2.433 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848466769 681555407 /nfs/dbraw/zinc/55/54/07/681555407.db2.gz SEFNUGBPBPWOCA-GXTWGEPZSA-N -1 1 358.391 2.360 20 5 FEBDMM O=C(Nc1nc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000783902356 682184942 /nfs/dbraw/zinc/18/49/42/682184942.db2.gz XSNQQUMVIHNHAU-UHFFFAOYSA-N -1 1 354.116 2.416 20 5 FEBDMM COC(=O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420981 682742029 /nfs/dbraw/zinc/74/20/29/682742029.db2.gz WWWDHEYHXGXSLN-UHFFFAOYSA-N -1 1 371.198 2.132 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cs1 ZINC000795646126 683076792 /nfs/dbraw/zinc/07/67/92/683076792.db2.gz LYOWOZMTCWWDCZ-MRVPVSSYSA-N -1 1 358.401 2.074 20 5 FEBDMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859299581 683077157 /nfs/dbraw/zinc/07/71/57/683077157.db2.gz YDZJFLLKOTVZNA-SECBINFHSA-N -1 1 368.814 2.463 20 5 FEBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859422100 683106415 /nfs/dbraw/zinc/10/64/15/683106415.db2.gz LCVPXMDCYGYGIS-OCAPTIKFSA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000796097761 683127088 /nfs/dbraw/zinc/12/70/88/683127088.db2.gz VWVHGTFGKAIODT-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM COC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000796141629 683132690 /nfs/dbraw/zinc/13/26/90/683132690.db2.gz LFBRIWLOLDMURC-UHFFFAOYSA-N -1 1 371.396 2.313 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000921577586 683507876 /nfs/dbraw/zinc/50/78/76/683507876.db2.gz LRNJIRHMUOXUDQ-YUMQZZPRSA-N -1 1 374.362 2.435 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)O2)s1 ZINC000921587420 683511404 /nfs/dbraw/zinc/51/14/04/683511404.db2.gz SDCWVEZPQSXWCL-SFYZADRCSA-N -1 1 374.362 2.435 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000025694837 539766781 /nfs/dbraw/zinc/76/67/81/539766781.db2.gz OZARGIQWMAVSNX-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000066327387 541302376 /nfs/dbraw/zinc/30/23/76/541302376.db2.gz YFLPKTPNPPDYMW-CYBMUJFWSA-N -1 1 367.452 2.209 20 5 FEBDMM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1n[n-]c(=S)n1C1CC1 ZINC000067070222 541413418 /nfs/dbraw/zinc/41/34/18/541413418.db2.gz TTYUJYUSECTTQK-UHFFFAOYSA-N -1 1 363.399 2.269 20 5 FEBDMM CC(C)n1c(CCNC(=O)CNc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067073981 541414001 /nfs/dbraw/zinc/41/40/01/541414001.db2.gz LEENNHVYGYLKFP-UHFFFAOYSA-N -1 1 364.431 2.201 20 5 FEBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 ZINC000067541814 541478100 /nfs/dbraw/zinc/47/81/00/541478100.db2.gz JHECCGMRXKWVMF-UHFFFAOYSA-N -1 1 370.412 2.226 20 5 FEBDMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000154120666 544867634 /nfs/dbraw/zinc/86/76/34/544867634.db2.gz LOBHEBKKXMZNKX-UHFFFAOYSA-N -1 1 373.387 2.298 20 5 FEBDMM O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181897760 327751539 /nfs/dbraw/zinc/75/15/39/327751539.db2.gz XHOUJSNDKUTMMR-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=C(NCCc1ccccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188032001 328061532 /nfs/dbraw/zinc/06/15/32/328061532.db2.gz LRNTXUVHSSOFJY-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000188380242 328083561 /nfs/dbraw/zinc/08/35/61/328083561.db2.gz BGLVCUCPIJEHEW-CQSZACIVSA-N -1 1 365.292 2.187 20 5 FEBDMM C[C@@H](c1ccsc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000194013865 328406799 /nfs/dbraw/zinc/40/67/99/328406799.db2.gz SLZWANGBXMRSSS-NSHDSACASA-N -1 1 362.411 2.276 20 5 FEBDMM COCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000044351768 324559112 /nfs/dbraw/zinc/55/91/12/324559112.db2.gz OYDPQTCVGIHAQQ-UHFFFAOYSA-N -1 1 367.221 2.062 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000080790360 325144115 /nfs/dbraw/zinc/14/41/15/325144115.db2.gz YTPFCJWJSGSHBA-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000167224646 327084474 /nfs/dbraw/zinc/08/44/74/327084474.db2.gz PDHWNQCCFFRTEO-WQAKAFBOSA-N -1 1 358.441 2.282 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(CC(N)=O)cc1 ZINC000174999269 327366666 /nfs/dbraw/zinc/36/66/66/327366666.db2.gz YFRPBVWABVFRPJ-UHFFFAOYSA-N -1 1 363.395 2.040 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000267787093 329358050 /nfs/dbraw/zinc/35/80/50/329358050.db2.gz RBQQNIQNJBJJRF-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000882870124 687519373 /nfs/dbraw/zinc/51/93/73/687519373.db2.gz AFUGCSDLCNCUOM-YFKPBYRVSA-N -1 1 359.148 2.289 20 5 FEBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000159941047 545993589 /nfs/dbraw/zinc/99/35/89/545993589.db2.gz DFCPPRRPTKPTBC-UHFFFAOYSA-N -1 1 354.388 2.470 20 5 FEBDMM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000160323243 546030792 /nfs/dbraw/zinc/03/07/92/546030792.db2.gz OQXXOOVFMIXNBI-SECBINFHSA-N -1 1 367.221 2.061 20 5 FEBDMM CCC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000176778139 546486801 /nfs/dbraw/zinc/48/68/01/546486801.db2.gz KJMPTKGOADZAQO-JOYOIKCWSA-N -1 1 350.404 2.246 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)c1 ZINC000184606761 547853717 /nfs/dbraw/zinc/85/37/17/547853717.db2.gz IJIRWFGMRKISAE-MRXNPFEDSA-N -1 1 359.382 2.342 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000185776347 548034019 /nfs/dbraw/zinc/03/40/19/548034019.db2.gz KYHNUVHALWMOAR-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000193978317 548416670 /nfs/dbraw/zinc/41/66/70/548416670.db2.gz QMYQAJFUKVVJCI-HNNXBMFYSA-N -1 1 357.366 2.169 20 5 FEBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000195483405 548648223 /nfs/dbraw/zinc/64/82/23/548648223.db2.gz DKMBLRYUTVGKSU-UHFFFAOYSA-N -1 1 369.381 2.209 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000491605207 561447042 /nfs/dbraw/zinc/44/70/42/561447042.db2.gz SYKFAHNNPQAQCI-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000268774558 550114552 /nfs/dbraw/zinc/11/45/52/550114552.db2.gz GKHYUEUIFWTMTG-SNVBAGLBSA-N -1 1 356.791 2.327 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000284108646 551484883 /nfs/dbraw/zinc/48/48/83/551484883.db2.gz BNNFEGGLXFASQT-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1C ZINC000284940213 551672764 /nfs/dbraw/zinc/67/27/64/551672764.db2.gz AOOVKSIKIVKRFO-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000287835996 552052895 /nfs/dbraw/zinc/05/28/95/552052895.db2.gz KZANBIBKLBAKEW-PMPSAXMXSA-N -1 1 369.377 2.340 20 5 FEBDMM CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289129124 552270344 /nfs/dbraw/zinc/27/03/44/552270344.db2.gz LDWUOVVDHAZAIK-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290703973 552522840 /nfs/dbraw/zinc/52/28/40/552522840.db2.gz NSIAVNVCYFJKSJ-SNVBAGLBSA-N -1 1 361.320 2.498 20 5 FEBDMM CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000291960327 552678905 /nfs/dbraw/zinc/67/89/05/552678905.db2.gz PKCDHZDVJVKLPI-UHFFFAOYSA-N -1 1 352.372 2.472 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1Cl ZINC000295751253 553054309 /nfs/dbraw/zinc/05/43/09/553054309.db2.gz QRAVWXBWRFZEIG-SSDOTTSWSA-N -1 1 355.199 2.359 20 5 FEBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000504278224 561655518 /nfs/dbraw/zinc/65/55/18/561655518.db2.gz AYIIWFPEYHESHY-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000506401652 561698101 /nfs/dbraw/zinc/69/81/01/561698101.db2.gz ZSENBHGXDOKEGO-ZDUSSCGKSA-N -1 1 353.338 2.132 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC000507298661 561724105 /nfs/dbraw/zinc/72/41/05/561724105.db2.gz AEYHYXOFGBHIOD-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000331926778 554347446 /nfs/dbraw/zinc/34/74/46/554347446.db2.gz JOOFRGCIRMDUTD-ZDUSSCGKSA-N -1 1 350.400 2.167 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000349801049 554743384 /nfs/dbraw/zinc/74/33/84/554743384.db2.gz HMWDWGFRVSLPML-UHFFFAOYSA-N -1 1 366.380 2.185 20 5 FEBDMM Cn1ccnc1-c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365202462 555510005 /nfs/dbraw/zinc/51/00/05/555510005.db2.gz QHDLJDCMGWMEDE-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000365261826 555526243 /nfs/dbraw/zinc/52/62/43/555526243.db2.gz PBOIOSBCSRCCDR-UHFFFAOYSA-N -1 1 371.349 2.136 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000368732483 556400099 /nfs/dbraw/zinc/40/00/99/556400099.db2.gz KQMFLKZQSAUQEO-UHFFFAOYSA-N -1 1 360.355 2.406 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](CO)c3ccccc32)s1 ZINC000370408362 556863790 /nfs/dbraw/zinc/86/37/90/556863790.db2.gz VQMDBKFHGVTRPZ-BXKDBHETSA-N -1 1 354.409 2.156 20 5 FEBDMM Cn1cc(-c2ccccc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000370491428 556889006 /nfs/dbraw/zinc/88/90/06/556889006.db2.gz LJLNBEVFHSQJHR-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000374661956 557913418 /nfs/dbraw/zinc/91/34/18/557913418.db2.gz JKIIXXCNBVIPLW-SNVBAGLBSA-N -1 1 356.306 2.285 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000374661955 557913666 /nfs/dbraw/zinc/91/36/66/557913666.db2.gz JKIIXXCNBVIPLW-JTQLQIEISA-N -1 1 356.306 2.285 20 5 FEBDMM Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376096299 558126482 /nfs/dbraw/zinc/12/64/82/558126482.db2.gz KYAYVMAVQZLGDS-UHFFFAOYSA-N -1 1 371.328 2.259 20 5 FEBDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000392354684 558617384 /nfs/dbraw/zinc/61/73/84/558617384.db2.gz MDTFDUFBOCFCHE-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000407990621 558636201 /nfs/dbraw/zinc/63/62/01/558636201.db2.gz NUVVUKISXBZOGK-JHJVBQTASA-N -1 1 356.448 2.448 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000525601172 562250686 /nfs/dbraw/zinc/25/06/86/562250686.db2.gz QQBXPIBGYPUDQF-MRXNPFEDSA-N -1 1 370.390 2.453 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000525688601 562252208 /nfs/dbraw/zinc/25/22/08/562252208.db2.gz FARSQKOHMNNGPS-HIFRSBDPSA-N -1 1 363.395 2.188 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])n1 ZINC000420742464 559501687 /nfs/dbraw/zinc/50/16/87/559501687.db2.gz UXMLWNPOJUXESE-NSHDSACASA-N -1 1 374.369 2.486 20 5 FEBDMM C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425039173 559684662 /nfs/dbraw/zinc/68/46/62/559684662.db2.gz MNOMZQQGVXKYNF-MFKMUULPSA-N -1 1 365.386 2.278 20 5 FEBDMM O=C(CCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000425292857 559694941 /nfs/dbraw/zinc/69/49/41/559694941.db2.gz AWWFQTLLXZNPJL-LBPRGKRZSA-N -1 1 374.353 2.053 20 5 FEBDMM O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427197855 559750212 /nfs/dbraw/zinc/75/02/12/559750212.db2.gz MFFVHSUAWKQWEA-UHFFFAOYSA-N -1 1 366.259 2.775 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436919772 559956417 /nfs/dbraw/zinc/95/64/17/559956417.db2.gz OXGMIDPZGYCXIL-CYBMUJFWSA-N -1 1 353.338 2.132 20 5 FEBDMM COCc1ncsc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000555887666 674380060 /nfs/dbraw/zinc/38/00/60/674380060.db2.gz ILFQAPVQMIKTOV-UHFFFAOYSA-N -1 1 351.340 2.237 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000443260956 560076610 /nfs/dbraw/zinc/07/66/10/560076610.db2.gz FKZVTKMHMXUVLX-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000443269215 560077055 /nfs/dbraw/zinc/07/70/55/560077055.db2.gz CESILOYCQJTHAM-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443327925 560080188 /nfs/dbraw/zinc/08/01/88/560080188.db2.gz OOJAYKFYESMFCL-UWVGGRQHSA-N -1 1 350.824 2.324 20 5 FEBDMM O=C(NCCc1ccccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445176861 560130333 /nfs/dbraw/zinc/13/03/33/560130333.db2.gz GYZOXGKLGJGGFW-UHFFFAOYSA-N -1 1 366.171 2.430 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451865781 560333360 /nfs/dbraw/zinc/33/33/60/560333360.db2.gz YACALESUUJOALF-RISCZKNCSA-N -1 1 374.846 2.324 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000468545842 560932534 /nfs/dbraw/zinc/93/25/34/560932534.db2.gz YYEBYUVJWBYTAF-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000468959783 560943444 /nfs/dbraw/zinc/94/34/44/560943444.db2.gz NEEMVDMCQGUPDL-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469098080 560947152 /nfs/dbraw/zinc/94/71/52/560947152.db2.gz ZPFRQMYOIQNXHJ-VIFPVBQESA-N -1 1 360.285 2.362 20 5 FEBDMM COCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471133994 560998976 /nfs/dbraw/zinc/99/89/76/560998976.db2.gz PGNQZGKPDVAQQU-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000477146614 561137911 /nfs/dbraw/zinc/13/79/11/561137911.db2.gz BNRQGNYXWQCGME-UHFFFAOYSA-N -1 1 370.408 2.214 20 5 FEBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000530917260 562428546 /nfs/dbraw/zinc/42/85/46/562428546.db2.gz OIDLDGZTOWFAHP-ZIAGYGMSSA-N -1 1 369.443 2.396 20 5 FEBDMM Cc1nc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)sc1C ZINC000532495477 562479544 /nfs/dbraw/zinc/47/95/44/562479544.db2.gz IBPJYIVTOLENMU-UHFFFAOYSA-N -1 1 357.413 2.025 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000541071236 562602098 /nfs/dbraw/zinc/60/20/98/562602098.db2.gz USZDONKZPDSDEC-UHFFFAOYSA-N -1 1 368.367 2.421 20 5 FEBDMM Cc1ccn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)c1-c1nn[n-]n1 ZINC000822374041 607348602 /nfs/dbraw/zinc/34/86/02/607348602.db2.gz IMKIOISEWBZXFU-UHFFFAOYSA-N -1 1 370.369 2.081 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccc(-c3nnco3)c2)c(-c2nnn[n-]2)c1 ZINC000738373357 598498977 /nfs/dbraw/zinc/49/89/77/598498977.db2.gz AXZFSCZCXCMWRS-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccc(-c3nnco3)c2)c(-c2nn[n-]n2)c1 ZINC000738373357 598498979 /nfs/dbraw/zinc/49/89/79/598498979.db2.gz AXZFSCZCXCMWRS-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826210833 607450604 /nfs/dbraw/zinc/45/06/04/607450604.db2.gz GSONPRKFDRPHGK-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826210833 607450606 /nfs/dbraw/zinc/45/06/06/607450606.db2.gz GSONPRKFDRPHGK-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM CN(Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825991867 607451566 /nfs/dbraw/zinc/45/15/66/607451566.db2.gz KDYHCQRPPCORNQ-UHFFFAOYSA-N -1 1 364.369 2.298 20 5 FEBDMM CN(Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825991867 607451567 /nfs/dbraw/zinc/45/15/67/607451567.db2.gz KDYHCQRPPCORNQ-UHFFFAOYSA-N -1 1 364.369 2.298 20 5 FEBDMM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825971815 607454015 /nfs/dbraw/zinc/45/40/15/607454015.db2.gz OQXHJCQNGIQVGR-AREMUKBSSA-N -1 1 372.410 2.149 20 5 FEBDMM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825971815 607454016 /nfs/dbraw/zinc/45/40/16/607454016.db2.gz OQXHJCQNGIQVGR-AREMUKBSSA-N -1 1 372.410 2.149 20 5 FEBDMM Cc1[nH]nc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000832847242 601092219 /nfs/dbraw/zinc/09/22/19/601092219.db2.gz FYNWJRAGJIWZFY-VXGBXAGGSA-N -1 1 350.375 2.122 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(Cl)cc1Cl ZINC000809820852 674512715 /nfs/dbraw/zinc/51/27/15/674512715.db2.gz IRCZOMGSBCZUKM-WRWORJQWSA-N -1 1 369.226 2.341 20 5 FEBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809824379 674513124 /nfs/dbraw/zinc/51/31/24/674513124.db2.gz POCYVGRZDQBAPA-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCNc2ccccn2)cc1Cl ZINC000809825394 674513391 /nfs/dbraw/zinc/51/33/91/674513391.db2.gz GCCQOAWCDCTZEW-UHFFFAOYSA-N -1 1 374.781 2.173 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809816259 674511897 /nfs/dbraw/zinc/51/18/97/674511897.db2.gz FPGOOPMDMZHOJT-LBPRGKRZSA-N -1 1 352.771 2.092 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCC2)c(Cl)cc1Cl ZINC000809843532 674515905 /nfs/dbraw/zinc/51/59/05/674515905.db2.gz ODEFSOQNUKWXPU-UHFFFAOYSA-N -1 1 369.226 2.485 20 5 FEBDMM C[C@@H](C[C@@H](O)c1cccs1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824394142 607733009 /nfs/dbraw/zinc/73/30/09/607733009.db2.gz VZPWLVFCLRWKSA-WCBMZHEXSA-N -1 1 361.387 2.156 20 5 FEBDMM C[C@@H](C[C@@H](O)c1cccs1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824394142 607733010 /nfs/dbraw/zinc/73/30/10/607733010.db2.gz VZPWLVFCLRWKSA-WCBMZHEXSA-N -1 1 361.387 2.156 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1([C@H](O)c2ccccc2)CC1 ZINC000826497566 607735272 /nfs/dbraw/zinc/73/52/72/607735272.db2.gz LVQORPQFRLSTQH-CQSZACIVSA-N -1 1 367.369 2.096 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1([C@H](O)c2ccccc2)CC1 ZINC000826497566 607735273 /nfs/dbraw/zinc/73/52/73/607735273.db2.gz LVQORPQFRLSTQH-CQSZACIVSA-N -1 1 367.369 2.096 20 5 FEBDMM CN(C)c1cccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810081507 674530408 /nfs/dbraw/zinc/53/04/08/674530408.db2.gz CCWHPIAVWLBDPZ-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM CN(Cc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821618211 606644829 /nfs/dbraw/zinc/64/48/29/606644829.db2.gz VRXHEXQQEBBDIY-UHFFFAOYSA-N -1 1 350.289 2.003 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823436397 606648389 /nfs/dbraw/zinc/64/83/89/606648389.db2.gz TYAYTZNXNPUXBE-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823436397 606648390 /nfs/dbraw/zinc/64/83/90/606648390.db2.gz TYAYTZNXNPUXBE-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc2ccccc2n1 ZINC000823624745 606704303 /nfs/dbraw/zinc/70/43/03/606704303.db2.gz IBMDITNOTXOJCN-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc2ccccc2n1 ZINC000823624745 606704304 /nfs/dbraw/zinc/70/43/04/606704304.db2.gz IBMDITNOTXOJCN-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232100 607039638 /nfs/dbraw/zinc/03/96/38/607039638.db2.gz DGAVJFUUNOAIAX-RNCFNFMXSA-N -1 1 373.348 2.233 20 5 FEBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232100 607039639 /nfs/dbraw/zinc/03/96/39/607039639.db2.gz DGAVJFUUNOAIAX-RNCFNFMXSA-N -1 1 373.348 2.233 20 5 FEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000824670623 607850065 /nfs/dbraw/zinc/85/00/65/607850065.db2.gz SOVCUJMDYZRPRI-JOYOIKCWSA-N -1 1 353.342 2.147 20 5 FEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000824670623 607850066 /nfs/dbraw/zinc/85/00/66/607850066.db2.gz SOVCUJMDYZRPRI-JOYOIKCWSA-N -1 1 353.342 2.147 20 5 FEBDMM O=[N+]([O-])c1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000826499567 607968439 /nfs/dbraw/zinc/96/84/39/607968439.db2.gz NNTWJCHDWYCXSQ-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=[N+]([O-])c1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000826499567 607968440 /nfs/dbraw/zinc/96/84/40/607968440.db2.gz NNTWJCHDWYCXSQ-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826401310 607997656 /nfs/dbraw/zinc/99/76/56/607997656.db2.gz VHTDLIHDWXJXLO-BAQGIRSFSA-N -1 1 352.310 2.132 20 5 FEBDMM CN(C)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000825880203 608128405 /nfs/dbraw/zinc/12/84/05/608128405.db2.gz YEFAQRAMVAFJRY-UHFFFAOYSA-N -1 1 374.382 2.259 20 5 FEBDMM CN(C)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000825880203 608128406 /nfs/dbraw/zinc/12/84/06/608128406.db2.gz YEFAQRAMVAFJRY-UHFFFAOYSA-N -1 1 374.382 2.259 20 5 FEBDMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019216 674898640 /nfs/dbraw/zinc/89/86/40/674898640.db2.gz DTYAXXYIIAPFRY-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000815061398 674909295 /nfs/dbraw/zinc/90/92/95/674909295.db2.gz SUXQUIFDNXCSLY-CQSZACIVSA-N -1 1 362.835 2.468 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1 ZINC000113945739 670888815 /nfs/dbraw/zinc/88/88/15/670888815.db2.gz VQWZGDYOUQUXAR-LLVKDONJSA-N -1 1 354.359 2.480 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)s1 ZINC000608909082 675906978 /nfs/dbraw/zinc/90/69/78/675906978.db2.gz QOVBBTQVQIHBPC-UHFFFAOYSA-N -1 1 351.369 2.038 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)s1 ZINC000609676446 675932212 /nfs/dbraw/zinc/93/22/12/675932212.db2.gz ZRKIRAHPEKBKEM-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000609836651 675938441 /nfs/dbraw/zinc/93/84/41/675938441.db2.gz IWSCPJOXUZXPKS-JTQLQIEISA-N -1 1 362.415 2.174 20 5 FEBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119208972 671894567 /nfs/dbraw/zinc/89/45/67/671894567.db2.gz GTBQQQWOCXCPPM-TVQRCGJNSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1[N+](=O)[O-] ZINC000119376625 671898263 /nfs/dbraw/zinc/89/82/63/671898263.db2.gz JHCCPCCIOWSBHB-UHFFFAOYSA-N -1 1 371.425 2.275 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000123751691 671984634 /nfs/dbraw/zinc/98/46/34/671984634.db2.gz GCQCJEVORMYLKO-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM O=C(NCc1nn[n-]n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000610884146 676003268 /nfs/dbraw/zinc/00/32/68/676003268.db2.gz ONWXYTZQWHGDST-UHFFFAOYSA-N -1 1 356.367 2.189 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)cc2C)c([N+](=O)[O-])n1 ZINC000611105824 676017666 /nfs/dbraw/zinc/01/76/66/676017666.db2.gz WKKJIDLABYOTCC-ZDUSSCGKSA-N -1 1 366.443 2.338 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000611108712 676018525 /nfs/dbraw/zinc/01/85/25/676018525.db2.gz HMBAYXMCFKSXKD-LBPRGKRZSA-N -1 1 352.416 2.202 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000591833130 672715271 /nfs/dbraw/zinc/71/52/71/672715271.db2.gz HMCOPOAJCBHDCF-UHFFFAOYSA-N -1 1 364.383 2.182 20 5 FEBDMM COC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)CCOCC1 ZINC000593188352 672888183 /nfs/dbraw/zinc/88/81/83/672888183.db2.gz DNJZZIOIDCORAP-UHFFFAOYSA-N -1 1 358.416 2.149 20 5 FEBDMM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCCC2 ZINC000593285441 672903783 /nfs/dbraw/zinc/90/37/83/672903783.db2.gz RYZYEWVMOICHMP-UHFFFAOYSA-N -1 1 355.397 2.437 20 5 FEBDMM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000725713685 673089428 /nfs/dbraw/zinc/08/94/28/673089428.db2.gz OXWAXFIBJCJNJZ-UHFFFAOYSA-N -1 1 360.351 2.371 20 5 FEBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594743416 673127290 /nfs/dbraw/zinc/12/72/90/673127290.db2.gz UIHUJRLMXCKMCD-NSHDSACASA-N -1 1 351.384 2.428 20 5 FEBDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754782 673130694 /nfs/dbraw/zinc/13/06/94/673130694.db2.gz DMAPVRNQUINFKX-UHFFFAOYSA-N -1 1 351.384 2.256 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000536758923 673380491 /nfs/dbraw/zinc/38/04/91/673380491.db2.gz ZFQXNBDOVZUWGY-DZGCQCFKSA-N -1 1 363.395 2.046 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000735920385 673507775 /nfs/dbraw/zinc/50/77/75/673507775.db2.gz VAJCQMZONQTZPG-LLVKDONJSA-N -1 1 364.807 2.114 20 5 FEBDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539955380 673515811 /nfs/dbraw/zinc/51/58/11/673515811.db2.gz YWMJNOLTWJKZSK-UHFFFAOYSA-N -1 1 352.368 2.421 20 5 FEBDMM O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597979441 673526522 /nfs/dbraw/zinc/52/65/22/673526522.db2.gz VUAQQZXNYKBLNU-NSHDSACASA-N -1 1 363.292 2.315 20 5 FEBDMM O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597979439 673526571 /nfs/dbraw/zinc/52/65/71/673526571.db2.gz VUAQQZXNYKBLNU-LLVKDONJSA-N -1 1 363.292 2.315 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000599315557 673657628 /nfs/dbraw/zinc/65/76/28/673657628.db2.gz LWDYBOQXCYBHNV-JTQLQIEISA-N -1 1 350.400 2.245 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1 ZINC000543658984 673659339 /nfs/dbraw/zinc/65/93/39/673659339.db2.gz PUVJHQBCZLLYTP-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543859819 673674920 /nfs/dbraw/zinc/67/49/20/673674920.db2.gz CLKAVHXHQUQNTJ-UHFFFAOYSA-N -1 1 366.351 2.191 20 5 FEBDMM O=c1[nH]cc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000545760414 673776234 /nfs/dbraw/zinc/77/62/34/673776234.db2.gz CCPMLMBWQVHVPQ-UHFFFAOYSA-N -1 1 366.131 2.427 20 5 FEBDMM CCO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000566657953 675232379 /nfs/dbraw/zinc/23/23/79/675232379.db2.gz ADEFNYXSCBSIJV-CYBMUJFWSA-N -1 1 351.384 2.046 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000828199149 675805629 /nfs/dbraw/zinc/80/56/29/675805629.db2.gz UCDCJXJEMNUYGG-OAHLLOKOSA-N -1 1 372.418 2.366 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000761104412 680711055 /nfs/dbraw/zinc/71/10/55/680711055.db2.gz SQNSFQZVIAADJJ-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000759050666 680623674 /nfs/dbraw/zinc/62/36/74/680623674.db2.gz WORFHDZXKNPPLB-ZDUSSCGKSA-N -1 1 358.416 2.136 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000760324165 680682859 /nfs/dbraw/zinc/68/28/59/680682859.db2.gz VVQFBANMKPLFKS-UHFFFAOYSA-N -1 1 352.372 2.313 20 5 FEBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842936268 680976243 /nfs/dbraw/zinc/97/62/43/680976243.db2.gz SLSFRHJCYBVZNK-NXEZZACHSA-N -1 1 355.778 2.372 20 5 FEBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770701166 681024402 /nfs/dbraw/zinc/02/44/02/681024402.db2.gz RDLQTTXYIVDWLC-UHFFFAOYSA-N -1 1 366.717 2.230 20 5 FEBDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000845969620 681167027 /nfs/dbraw/zinc/16/70/27/681167027.db2.gz ROPHXQNOVQWXTQ-ONGXEEELSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000848706788 681606576 /nfs/dbraw/zinc/60/65/76/681606576.db2.gz PAWXRIWHXMMDNP-JTQLQIEISA-N -1 1 361.320 2.498 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)cc1Cl ZINC000849443749 681737258 /nfs/dbraw/zinc/73/72/58/681737258.db2.gz IZAIVMBGIMIXKW-SNVBAGLBSA-N -1 1 374.724 2.090 20 5 FEBDMM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000782495093 682049792 /nfs/dbraw/zinc/04/97/92/682049792.db2.gz YIGFIXXYKVWMPT-HNNXBMFYSA-N -1 1 360.407 2.344 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000785342610 682289471 /nfs/dbraw/zinc/28/94/71/682289471.db2.gz JTENESMIACLMOT-GDGBQDQQSA-N -1 1 361.217 2.434 20 5 FEBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000859353362 683091416 /nfs/dbraw/zinc/09/14/16/683091416.db2.gz BRVBFEBYHXOXAW-UHFFFAOYSA-N -1 1 364.782 2.425 20 5 FEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000859409785 683103003 /nfs/dbraw/zinc/10/30/03/683103003.db2.gz URCSSRHYOORDDT-LJGSYFOKSA-N -1 1 355.199 2.357 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000882869619 687519302 /nfs/dbraw/zinc/51/93/02/687519302.db2.gz LIEISIMMSKJZQI-RXMQYKEDSA-N -1 1 359.148 2.289 20 5 FEBDMM O=C(NCc1csc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031422282 539907647 /nfs/dbraw/zinc/90/76/47/539907647.db2.gz QWGBESSFQHTSQS-UHFFFAOYSA-N -1 1 358.173 2.037 20 5 FEBDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928720 674090652 /nfs/dbraw/zinc/09/06/52/674090652.db2.gz SEBJJMDWNAQAAR-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM CC(C)n1c(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[n-]c1=S ZINC000066650129 541355644 /nfs/dbraw/zinc/35/56/44/541355644.db2.gz YGDASZOITRVBSD-UHFFFAOYSA-N -1 1 369.378 2.264 20 5 FEBDMM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000080797609 542609565 /nfs/dbraw/zinc/60/95/65/542609565.db2.gz NKBYNEXDEGNUHY-GFCCVEGCSA-N -1 1 356.425 2.192 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1O ZINC000097271749 543009428 /nfs/dbraw/zinc/00/94/28/543009428.db2.gz MFGOBGXYZSJNAX-ZFWWWQNUSA-N -1 1 368.798 2.185 20 5 FEBDMM Cc1nn(C)c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000107196930 543262823 /nfs/dbraw/zinc/26/28/23/543262823.db2.gz SJMHJFFKWDWPEC-UHFFFAOYSA-N -1 1 358.383 2.331 20 5 FEBDMM COC(=O)c1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1 ZINC000108999078 543310076 /nfs/dbraw/zinc/31/00/76/543310076.db2.gz VSBKZKGJUWJHGS-UHFFFAOYSA-N -1 1 358.282 2.423 20 5 FEBDMM CCC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000136721168 544378119 /nfs/dbraw/zinc/37/81/19/544378119.db2.gz VOOXKSFJMBGIRS-JTQLQIEISA-N -1 1 368.781 2.188 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1[N+](=O)[O-] ZINC000036833317 324489646 /nfs/dbraw/zinc/48/96/46/324489646.db2.gz LBEPTAFUPKWIQV-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000554925419 674341773 /nfs/dbraw/zinc/34/17/73/674341773.db2.gz LONSYEJREPGDJM-UHFFFAOYSA-N -1 1 364.427 2.283 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176078816 546402955 /nfs/dbraw/zinc/40/29/55/546402955.db2.gz VIHCYEOQDWUATI-UHFFFAOYSA-N -1 1 374.397 2.223 20 5 FEBDMM COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1O ZINC000484236447 561294317 /nfs/dbraw/zinc/29/43/17/561294317.db2.gz UYNWKAQWSKWWOA-UHFFFAOYSA-N -1 1 354.340 2.124 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000185772872 548034008 /nfs/dbraw/zinc/03/40/08/548034008.db2.gz GBEHGVDWLOFLDI-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c2=O ZINC000186017457 548073947 /nfs/dbraw/zinc/07/39/47/548073947.db2.gz UEZPSJRLDACFKU-UHFFFAOYSA-N -1 1 361.745 2.166 20 5 FEBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000486312991 561343911 /nfs/dbraw/zinc/34/39/11/561343911.db2.gz BAYBOKHKZAKSNR-ZDUSSCGKSA-N -1 1 354.322 2.069 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000488242928 561386847 /nfs/dbraw/zinc/38/68/47/561386847.db2.gz JUNLGDYIUZRQKD-UHFFFAOYSA-N -1 1 368.342 2.478 20 5 FEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000273126828 550486498 /nfs/dbraw/zinc/48/64/98/550486498.db2.gz SGKJFDQKWQCWNO-UHFFFAOYSA-N -1 1 353.316 2.062 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000277690984 550702147 /nfs/dbraw/zinc/70/21/47/550702147.db2.gz KLFCKTQEFSXNAP-UHFFFAOYSA-N -1 1 365.386 2.486 20 5 FEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000277971999 550734189 /nfs/dbraw/zinc/73/41/89/550734189.db2.gz FEVNPZMULXMESY-BXUZGUMPSA-N -1 1 367.308 2.216 20 5 FEBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281666635 551128369 /nfs/dbraw/zinc/12/83/69/551128369.db2.gz JNBPPIHRUIQQLL-UHFFFAOYSA-N -1 1 373.331 2.054 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c2ncccc12 ZINC000285137283 551709906 /nfs/dbraw/zinc/70/99/06/551709906.db2.gz QOLZLXAFMYWLAU-UHFFFAOYSA-N -1 1 374.382 2.329 20 5 FEBDMM Cc1cccc(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000285221868 551722882 /nfs/dbraw/zinc/72/28/82/551722882.db2.gz GOQRRAKUBXDJPM-UHFFFAOYSA-N -1 1 353.375 2.348 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000290820045 552543519 /nfs/dbraw/zinc/54/35/19/552543519.db2.gz SYAGMNOMXRTCMW-SNVBAGLBSA-N -1 1 374.781 2.466 20 5 FEBDMM Cc1cc(Cl)c(C(=O)Nc2nc(SCCO)n[nH]2)cc1[N+](=O)[O-] ZINC000294824303 552936882 /nfs/dbraw/zinc/93/68/82/552936882.db2.gz CZQTYSWMKJLXSS-UHFFFAOYSA-N -1 1 357.779 2.011 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000503218769 561636884 /nfs/dbraw/zinc/63/68/84/561636884.db2.gz LAVAYWYBAUELCF-UHFFFAOYSA-N -1 1 372.815 2.436 20 5 FEBDMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000299073391 553511869 /nfs/dbraw/zinc/51/18/69/553511869.db2.gz DSBHVJYTSVLZIQ-RYUDHWBXSA-N -1 1 372.381 2.425 20 5 FEBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000299076445 553512094 /nfs/dbraw/zinc/51/20/94/553512094.db2.gz XNKZXNQKQAAQAJ-LBPRGKRZSA-N -1 1 373.431 2.377 20 5 FEBDMM CSc1cccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000332298192 554420167 /nfs/dbraw/zinc/42/01/67/554420167.db2.gz HKCDFGYBNNCBHO-VIFPVBQESA-N -1 1 364.383 2.425 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(C2CC2)CCOCC1 ZINC000364060471 555242458 /nfs/dbraw/zinc/24/24/58/555242458.db2.gz ALXXYMRKZALISE-UHFFFAOYSA-N -1 1 360.819 2.486 20 5 FEBDMM O=C(c1cccs1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000365619811 555624203 /nfs/dbraw/zinc/62/42/03/555624203.db2.gz BUCBSNXVUBBCBK-UHFFFAOYSA-N -1 1 361.379 2.492 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367556388 556081730 /nfs/dbraw/zinc/08/17/30/556081730.db2.gz YAAMSRRIMVKBFA-CXAGYDPISA-N -1 1 370.409 2.336 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000392749078 558619164 /nfs/dbraw/zinc/61/91/64/558619164.db2.gz YNNGYGAMWNCYMY-CQSZACIVSA-N -1 1 372.443 2.381 20 5 FEBDMM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396417757 558623323 /nfs/dbraw/zinc/62/33/23/558623323.db2.gz MTJKYUXTXPXOEN-CYBMUJFWSA-N -1 1 356.382 2.399 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425298869 559695473 /nfs/dbraw/zinc/69/54/73/559695473.db2.gz JWSODONWXYAQLO-SECBINFHSA-N -1 1 358.310 2.449 20 5 FEBDMM COc1ccccc1-c1n[n-]c(=NCc2cc(OC)c(O)c([N+](=O)[O-])c2)o1 ZINC000428339727 559773645 /nfs/dbraw/zinc/77/36/45/559773645.db2.gz FKHVFNDBYRVNOU-UHFFFAOYSA-N -1 1 372.337 2.980 20 5 FEBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1I ZINC000429471742 559799392 /nfs/dbraw/zinc/79/93/92/559799392.db2.gz IRUVDNFGBOHXAR-UHFFFAOYSA-N -1 1 372.122 2.483 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000431590732 559841962 /nfs/dbraw/zinc/84/19/62/559841962.db2.gz VWKCKBUCXQVTSS-AWEZNQCLSA-N -1 1 364.427 2.283 20 5 FEBDMM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436604671 559946412 /nfs/dbraw/zinc/94/64/12/559946412.db2.gz JLUHFTJVUNAQMM-UHFFFAOYSA-N -1 1 366.351 2.400 20 5 FEBDMM COc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000441534288 560035327 /nfs/dbraw/zinc/03/53/27/560035327.db2.gz MALHENJCLFSKOH-UHFFFAOYSA-N -1 1 371.802 2.173 20 5 FEBDMM COc1ccccc1-c1n[nH]c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000443956939 560097392 /nfs/dbraw/zinc/09/73/92/560097392.db2.gz CITSUJXHNZQKKL-UHFFFAOYSA-N -1 1 355.310 2.346 20 5 FEBDMM Cn1ccnc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000444828965 560122055 /nfs/dbraw/zinc/12/20/55/560122055.db2.gz PMWJWBIPGPOARB-AWEZNQCLSA-N -1 1 371.328 2.087 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CCCn2ccnc2)CC1 ZINC000445156151 560130003 /nfs/dbraw/zinc/13/00/03/560130003.db2.gz FDPXLWSHTQQKGV-UHFFFAOYSA-N -1 1 359.386 2.225 20 5 FEBDMM CCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000445192548 560130605 /nfs/dbraw/zinc/13/06/05/560130605.db2.gz WQEBJEAFFMWPGU-LLVKDONJSA-N -1 1 356.342 2.009 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(CSC)CC2)c([N+](=O)[O-])n1 ZINC000451707101 560323405 /nfs/dbraw/zinc/32/34/05/560323405.db2.gz KWJCCFHFHKWHTH-UHFFFAOYSA-N -1 1 362.477 2.011 20 5 FEBDMM COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471137685 560998980 /nfs/dbraw/zinc/99/89/80/560998980.db2.gz VBYOHRVOVSANQP-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000530617929 562418007 /nfs/dbraw/zinc/41/80/07/562418007.db2.gz WLEQUFIOGLGQEC-CYBMUJFWSA-N -1 1 357.432 2.254 20 5 FEBDMM Cc1cccc2c(CC[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c[nH]c21 ZINC000531382963 562444241 /nfs/dbraw/zinc/44/42/41/562444241.db2.gz UPPGJTNKWSUSIG-UHFFFAOYSA-N -1 1 360.395 2.301 20 5 FEBDMM CC[C@@](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736919991 600304902 /nfs/dbraw/zinc/30/49/02/600304902.db2.gz FVYLDGWTIWAZHM-SFHVURJKSA-N -1 1 357.366 2.173 20 5 FEBDMM CN(Cc1nccn1C(F)F)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825998690 607450668 /nfs/dbraw/zinc/45/06/68/607450668.db2.gz AGWCPUGAFFWAIM-UHFFFAOYSA-N -1 1 350.289 2.003 20 5 FEBDMM CN(Cc1nccn1C(F)F)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825998690 607450670 /nfs/dbraw/zinc/45/06/70/607450670.db2.gz AGWCPUGAFFWAIM-UHFFFAOYSA-N -1 1 350.289 2.003 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000833301280 600690022 /nfs/dbraw/zinc/69/00/22/600690022.db2.gz VELGEHMPSPNPGQ-UHFFFAOYSA-N -1 1 367.295 2.002 20 5 FEBDMM Cc1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1[N+](=O)[O-] ZINC000832847177 600794850 /nfs/dbraw/zinc/79/48/50/600794850.db2.gz BDABGACYTIOOQQ-UHFFFAOYSA-N -1 1 368.296 2.022 20 5 FEBDMM Cc1[nH]nc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000832847240 601092174 /nfs/dbraw/zinc/09/21/74/601092174.db2.gz FYNWJRAGJIWZFY-NWDGAFQWSA-N -1 1 350.375 2.122 20 5 FEBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000827368500 601124120 /nfs/dbraw/zinc/12/41/20/601124120.db2.gz DESUQRUDESRGFC-JTQLQIEISA-N -1 1 370.793 2.261 20 5 FEBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818861 674512397 /nfs/dbraw/zinc/51/23/97/674512397.db2.gz KLOSZUIDOUCMGD-SDBXPKJASA-N -1 1 368.814 2.463 20 5 FEBDMM CC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809823892 674513103 /nfs/dbraw/zinc/51/31/03/674513103.db2.gz VKZAXSHHHYCLHG-UHFFFAOYSA-N -1 1 366.798 2.359 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000809833770 674514512 /nfs/dbraw/zinc/51/45/12/674514512.db2.gz YOTPNFSDTWEPNV-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828115386 603987453 /nfs/dbraw/zinc/98/74/53/603987453.db2.gz SFZMFCBGODZMJN-UHFFFAOYSA-N -1 1 370.793 2.261 20 5 FEBDMM O=C([O-])N(CC1CC1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834063009 605819105 /nfs/dbraw/zinc/81/91/05/605819105.db2.gz QVUHPZRZWYRQNK-QGZVFWFLSA-N -1 1 363.414 2.483 20 5 FEBDMM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)c1 ZINC000822309355 606644879 /nfs/dbraw/zinc/64/48/79/606644879.db2.gz VROZQTUEVQICQY-UHFFFAOYSA-N -1 1 365.397 2.410 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821983499 606651310 /nfs/dbraw/zinc/65/13/10/606651310.db2.gz IOBWLXQSTZZGJF-UHFFFAOYSA-N -1 1 372.366 2.249 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821983499 606651311 /nfs/dbraw/zinc/65/13/11/606651311.db2.gz IOBWLXQSTZZGJF-UHFFFAOYSA-N -1 1 372.366 2.249 20 5 FEBDMM COc1ccc(OCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821841150 606701407 /nfs/dbraw/zinc/70/14/07/606701407.db2.gz DJGOKNYLIADKEH-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM COc1ccc(OCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821841150 606701409 /nfs/dbraw/zinc/70/14/09/606701409.db2.gz DJGOKNYLIADKEH-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM Cc1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822262754 607164901 /nfs/dbraw/zinc/16/49/01/607164901.db2.gz FHAOXICFMPUTQG-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM Cc1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822262754 607164902 /nfs/dbraw/zinc/16/49/02/607164902.db2.gz FHAOXICFMPUTQG-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826467254 608105258 /nfs/dbraw/zinc/10/52/58/608105258.db2.gz NUCUSEBYWBXTPA-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826467254 608105259 /nfs/dbraw/zinc/10/52/59/608105259.db2.gz NUCUSEBYWBXTPA-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015838 674896477 /nfs/dbraw/zinc/89/64/77/674896477.db2.gz QXKSUOXKQKUWBE-MRVPVSSYSA-N -1 1 354.787 2.073 20 5 FEBDMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016819 674897037 /nfs/dbraw/zinc/89/70/37/674897037.db2.gz AAXHSZCPOZLSLS-GFCCVEGCSA-N -1 1 354.787 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC000815018677 674898499 /nfs/dbraw/zinc/89/84/99/674898499.db2.gz XTSAEWCYOQBEFB-RKDXNWHRSA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000815018888 674898573 /nfs/dbraw/zinc/89/85/73/674898573.db2.gz ANPKNVJUNCHBGW-QPUJVOFHSA-N -1 1 366.798 2.217 20 5 FEBDMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032195 674903281 /nfs/dbraw/zinc/90/32/81/674903281.db2.gz PJONHKGOFLPAJW-LLVKDONJSA-N -1 1 354.787 2.073 20 5 FEBDMM Cc1cc(N2CCN(CCOC(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574404651 671236356 /nfs/dbraw/zinc/23/63/56/671236356.db2.gz YOLNROHABLICSQ-UHFFFAOYSA-N -1 1 351.403 2.148 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000609030167 675909217 /nfs/dbraw/zinc/90/92/17/675909217.db2.gz KFFPJYVGJZMVSP-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122762585 671971065 /nfs/dbraw/zinc/97/10/65/671971065.db2.gz QIARZSLJNJPVOP-PWSUYJOCSA-N -1 1 356.425 2.447 20 5 FEBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126408444 672024107 /nfs/dbraw/zinc/02/41/07/672024107.db2.gz RXPYVUGTBJKKFZ-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129176959 672058111 /nfs/dbraw/zinc/05/81/11/672058111.db2.gz QRBLWJMXHOSPDH-SMDDNHRTSA-N -1 1 368.386 2.004 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000611107888 676018191 /nfs/dbraw/zinc/01/81/91/676018191.db2.gz OPOHQVQBNSAGJZ-UHFFFAOYSA-N -1 1 364.427 2.112 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144697 672453514 /nfs/dbraw/zinc/45/35/14/672453514.db2.gz RVDDBSAGJOIDFQ-SNVBAGLBSA-N -1 1 354.306 2.209 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000193334737 672720494 /nfs/dbraw/zinc/72/04/94/672720494.db2.gz QXAKBDUUUUFJFQ-UHFFFAOYSA-N -1 1 362.367 2.182 20 5 FEBDMM C[C@@H]1CN(CCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000592967839 672859679 /nfs/dbraw/zinc/85/96/79/672859679.db2.gz IQMKOECZFNYKLQ-CHWSQXEVSA-N -1 1 351.403 2.133 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000725819936 673092162 /nfs/dbraw/zinc/09/21/62/673092162.db2.gz DHCHYRAXCTWOQK-UHFFFAOYSA-N -1 1 362.713 2.105 20 5 FEBDMM Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1O ZINC000612997840 676105934 /nfs/dbraw/zinc/10/59/34/676105934.db2.gz JSNPKWLPKUTDDH-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594744487 673126972 /nfs/dbraw/zinc/12/69/72/673126972.db2.gz MDRIFEREKBCVKZ-SNVBAGLBSA-N -1 1 367.383 2.047 20 5 FEBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21 ZINC000594780484 673139936 /nfs/dbraw/zinc/13/99/36/673139936.db2.gz PDDPMKFZUVPPQN-ZDUSSCGKSA-N -1 1 362.411 2.239 20 5 FEBDMM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000594859162 673167249 /nfs/dbraw/zinc/16/72/49/673167249.db2.gz BFKQVEXQXNFQGE-VXGBXAGGSA-N -1 1 370.456 2.080 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)s1 ZINC000595379727 673237906 /nfs/dbraw/zinc/23/79/06/673237906.db2.gz GVWFLWCPHUNROK-DDTOSNHZSA-N -1 1 354.384 2.412 20 5 FEBDMM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000462689490 673275611 /nfs/dbraw/zinc/27/56/11/673275611.db2.gz OWUYCSLBMQYIHU-VIFPVBQESA-N -1 1 364.445 2.445 20 5 FEBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575371 673372644 /nfs/dbraw/zinc/37/26/44/673372644.db2.gz FXARHBXVUQNQCY-CYBMUJFWSA-N -1 1 358.745 2.281 20 5 FEBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599488504 673683623 /nfs/dbraw/zinc/68/36/23/673683623.db2.gz ZCGRBPCIFGYCCD-INIZCTEOSA-N -1 1 372.443 2.339 20 5 FEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000566367536 675208610 /nfs/dbraw/zinc/20/86/10/675208610.db2.gz FRKWFHMLPYXJCX-WCBMZHEXSA-N -1 1 360.313 2.500 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000828288183 675810848 /nfs/dbraw/zinc/81/08/48/675810848.db2.gz CBYAKUIYUWCJCX-RQJHMYQMSA-N -1 1 355.199 2.357 20 5 FEBDMM COC(=O)CCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000750003316 680094731 /nfs/dbraw/zinc/09/47/31/680094731.db2.gz SSQOMUMJMKHDBC-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832241681 680114762 /nfs/dbraw/zinc/11/47/62/680114762.db2.gz CTKSYKHHAURMJK-PWSUYJOCSA-N -1 1 374.390 2.134 20 5 FEBDMM C[C@]1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832364705 680127090 /nfs/dbraw/zinc/12/70/90/680127090.db2.gz MIPXSKGHJQQQGC-JTQLQIEISA-N -1 1 354.215 2.242 20 5 FEBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000841535574 680893680 /nfs/dbraw/zinc/89/36/80/680893680.db2.gz SWTFZAAFGBSGRP-JGVFFNPUSA-N -1 1 352.771 2.233 20 5 FEBDMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000775723907 681328452 /nfs/dbraw/zinc/32/84/52/681328452.db2.gz IFJQDRCVRNQFAH-BMIGLBTASA-N -1 1 374.390 2.134 20 5 FEBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000778644655 681634149 /nfs/dbraw/zinc/63/41/49/681634149.db2.gz FUNRMVMUXLAUPT-UHFFFAOYSA-N -1 1 371.459 2.220 20 5 FEBDMM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)c([O-])c1 ZINC000778826290 681653406 /nfs/dbraw/zinc/65/34/06/681653406.db2.gz HWINRQCTBCRBAG-UHFFFAOYSA-N -1 1 356.132 2.116 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)cc1Cl ZINC000849443748 681737406 /nfs/dbraw/zinc/73/74/06/681737406.db2.gz IZAIVMBGIMIXKW-JTQLQIEISA-N -1 1 374.724 2.090 20 5 FEBDMM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796102173 683128073 /nfs/dbraw/zinc/12/80/73/683128073.db2.gz DUDKNOZLKXFVTL-ZBEGNZNMSA-N -1 1 368.386 2.443 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc2c1CCOC2 ZINC000867659606 684345266 /nfs/dbraw/zinc/34/52/66/684345266.db2.gz XDPVGSICXKSUML-UHFFFAOYSA-N -1 1 366.370 2.285 20 5 FEBDMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000882588157 687404038 /nfs/dbraw/zinc/40/40/38/687404038.db2.gz LCVPXMDCYGYGIS-ZKCHVHJHSA-N -1 1 352.771 2.091 20 5 FEBDMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000014266648 539600852 /nfs/dbraw/zinc/60/08/52/539600852.db2.gz FSYKRRBQXIHMAT-UHFFFAOYSA-N -1 1 366.374 2.419 20 5 FEBDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030530311 539884067 /nfs/dbraw/zinc/88/40/67/539884067.db2.gz WIWYPQSYCIDOCH-UHFFFAOYSA-N -1 1 364.383 2.455 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])CCCC2)no1 ZINC000056054880 540697430 /nfs/dbraw/zinc/69/74/30/540697430.db2.gz CCVNJJVPSXSKDE-UHFFFAOYSA-N -1 1 366.399 2.342 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)s1 ZINC000064242789 541196145 /nfs/dbraw/zinc/19/61/45/541196145.db2.gz RHBJYYZYTLJXBI-LLVKDONJSA-N -1 1 371.440 2.365 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000121818561 543699827 /nfs/dbraw/zinc/69/98/27/543699827.db2.gz UGDULNHXADOTNC-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccccc2)no1 ZINC000125410933 543879935 /nfs/dbraw/zinc/87/99/35/543879935.db2.gz QGMWBDNQFKHVMZ-SNVBAGLBSA-N -1 1 369.337 2.279 20 5 FEBDMM CCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000127592026 544002210 /nfs/dbraw/zinc/00/22/10/544002210.db2.gz GAYGZQUEFKWDSA-JTQLQIEISA-N -1 1 369.179 2.142 20 5 FEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000119691385 326188842 /nfs/dbraw/zinc/18/88/42/326188842.db2.gz YOEVYBVXYGEMHW-UHFFFAOYSA-N -1 1 362.346 2.162 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159556008 326935182 /nfs/dbraw/zinc/93/51/82/326935182.db2.gz DXQFFTPXHRTLBU-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000173525638 327263818 /nfs/dbraw/zinc/26/38/18/327263818.db2.gz KVOPWCOXMZPINE-BMIGLBTASA-N -1 1 361.329 2.437 20 5 FEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000484271018 561295244 /nfs/dbraw/zinc/29/52/44/561295244.db2.gz ZOGBEKDZVHLNMQ-UHFFFAOYSA-N -1 1 373.365 2.174 20 5 FEBDMM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485360694 561317451 /nfs/dbraw/zinc/31/74/51/561317451.db2.gz IXQFFVVETDNKNC-GJZGRUSLSA-N -1 1 361.329 2.485 20 5 FEBDMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485371793 561317735 /nfs/dbraw/zinc/31/77/35/561317735.db2.gz JYLUAHVRTGMVGG-UHFFFAOYSA-N -1 1 364.745 2.060 20 5 FEBDMM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000262128156 549791061 /nfs/dbraw/zinc/79/10/61/549791061.db2.gz KIJLBZGFTCWRIS-MGPLVRAMSA-N -1 1 367.789 2.373 20 5 FEBDMM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000262128156 549791065 /nfs/dbraw/zinc/79/10/65/549791065.db2.gz KIJLBZGFTCWRIS-MGPLVRAMSA-N -1 1 367.789 2.373 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000282349948 551215576 /nfs/dbraw/zinc/21/55/76/551215576.db2.gz SEEHWHUTXGGZCT-SNVBAGLBSA-N -1 1 372.790 2.207 20 5 FEBDMM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCCF ZINC000283595116 551393583 /nfs/dbraw/zinc/39/35/83/551393583.db2.gz SJVIERRBGAUYKL-ZCFIWIBFSA-N -1 1 368.243 2.408 20 5 FEBDMM COc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288634757 552189230 /nfs/dbraw/zinc/18/92/30/552189230.db2.gz OINMWPMIHCWYCS-NSHDSACASA-N -1 1 354.306 2.223 20 5 FEBDMM C[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289118187 552268723 /nfs/dbraw/zinc/26/87/23/552268723.db2.gz KIUTVKGHYSINHB-ZETCQYMHSA-N -1 1 357.215 2.198 20 5 FEBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000289569573 552342099 /nfs/dbraw/zinc/34/20/99/552342099.db2.gz PLTOWLSJHHPUCC-ZDUSSCGKSA-N -1 1 362.835 2.324 20 5 FEBDMM O=C([N-]C[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1)C(F)(F)F ZINC000290706791 552523808 /nfs/dbraw/zinc/52/38/08/552523808.db2.gz NYLYWSGECJTYKQ-JTQLQIEISA-N -1 1 372.347 2.458 20 5 FEBDMM C[C@H](CCC[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000326570197 553781602 /nfs/dbraw/zinc/78/16/02/553781602.db2.gz WAAGUZDEUKSBNA-ZJUUUORDSA-N -1 1 362.379 2.292 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](CO)c2ccccc21 ZINC000364950044 555448007 /nfs/dbraw/zinc/44/80/07/555448007.db2.gz ANTYYDUIPRGTGF-YGRLFVJLSA-N -1 1 366.370 2.233 20 5 FEBDMM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000366627855 555894508 /nfs/dbraw/zinc/89/45/08/555894508.db2.gz GKSSQJUETCKISO-GFCCVEGCSA-N -1 1 370.365 2.186 20 5 FEBDMM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000370288153 556830593 /nfs/dbraw/zinc/83/05/93/556830593.db2.gz BPNJEZHEURCYRR-UHFFFAOYSA-N -1 1 372.428 2.352 20 5 FEBDMM O=C1CCOc2c(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cccc21 ZINC000371596546 557233936 /nfs/dbraw/zinc/23/39/36/557233936.db2.gz LTWSQUCDQJRSLX-UHFFFAOYSA-N -1 1 364.335 2.066 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)s1 ZINC000374247594 557849992 /nfs/dbraw/zinc/84/99/92/557849992.db2.gz GFAQXTWGSROLJJ-UHFFFAOYSA-N -1 1 374.469 2.060 20 5 FEBDMM CCCn1nccc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000374308829 557863312 /nfs/dbraw/zinc/86/33/12/557863312.db2.gz WXSUNBKHXDXDHV-UHFFFAOYSA-N -1 1 359.386 2.322 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)cc1[N+](=O)[O-] ZINC000523458381 562213515 /nfs/dbraw/zinc/21/35/15/562213515.db2.gz ASNRRXXBOJUCOE-UHFFFAOYSA-N -1 1 362.367 2.360 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000524728136 562233231 /nfs/dbraw/zinc/23/32/31/562233231.db2.gz MUXWWAYDZNJWPT-SECBINFHSA-N -1 1 357.338 2.350 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000525174448 562241917 /nfs/dbraw/zinc/24/19/17/562241917.db2.gz JCFSOFHUQMXPEH-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525187061 562242332 /nfs/dbraw/zinc/24/23/32/562242332.db2.gz MDGMOKQXUVLUMI-ZDUSSCGKSA-N -1 1 365.411 2.352 20 5 FEBDMM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525700444 562252695 /nfs/dbraw/zinc/25/26/95/562252695.db2.gz QHEDVYOHEKJEOL-VIFPVBQESA-N -1 1 373.337 2.014 20 5 FEBDMM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000416543054 559320729 /nfs/dbraw/zinc/32/07/29/559320729.db2.gz GFBPBKSNNNYPAD-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000437303261 559963047 /nfs/dbraw/zinc/96/30/47/559963047.db2.gz IUULEAHUMFLWGV-ZETCQYMHSA-N -1 1 363.442 2.299 20 5 FEBDMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444844152 560122289 /nfs/dbraw/zinc/12/22/89/560122289.db2.gz BWPGNSMLEUQBQS-SNVBAGLBSA-N -1 1 359.338 2.175 20 5 FEBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@H]3CCOC3)c2C)c1[N+](=O)[O-] ZINC000450791727 560273554 /nfs/dbraw/zinc/27/35/54/560273554.db2.gz IUSFLTANUIQTAQ-NSHDSACASA-N -1 1 361.358 2.376 20 5 FEBDMM CCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000462421865 560809370 /nfs/dbraw/zinc/80/93/70/560809370.db2.gz ZRKZGQQXNUMKQK-MRVPVSSYSA-N -1 1 371.198 2.433 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1[N+](=O)[O-] ZINC000468917066 560942285 /nfs/dbraw/zinc/94/22/85/560942285.db2.gz KHKNXONOKQVUMH-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000471126922 560998913 /nfs/dbraw/zinc/99/89/13/560998913.db2.gz FYRWOZABFAPSHD-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)s1 ZINC000474421568 561073602 /nfs/dbraw/zinc/07/36/02/561073602.db2.gz LFKZMXFRIBKADL-UHFFFAOYSA-N -1 1 358.401 2.074 20 5 FEBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000530916144 562428637 /nfs/dbraw/zinc/42/86/37/562428637.db2.gz QNCVEZITEFOUTR-QWHCGFSZSA-N -1 1 357.432 2.252 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000532853876 562490433 /nfs/dbraw/zinc/49/04/33/562490433.db2.gz PBFDLTWZIWDYDY-KBPBESRZSA-N -1 1 364.427 2.426 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c([N+](=O)[O-])n1 ZINC000532854906 562490757 /nfs/dbraw/zinc/49/07/57/562490757.db2.gz YVQZAKOSVXBMLM-UHFFFAOYSA-N -1 1 360.395 2.443 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000533175306 562500299 /nfs/dbraw/zinc/50/02/99/562500299.db2.gz PBCPTMKMQLLSIE-JTQLQIEISA-N -1 1 356.379 2.032 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2c(C)cc(C)cc2C)c([N+](=O)[O-])n1 ZINC000533176140 562500324 /nfs/dbraw/zinc/50/03/24/562500324.db2.gz PHFYOUWEGQPYGI-UHFFFAOYSA-N -1 1 366.443 2.257 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1[N+](=O)[O-] ZINC000535686436 562564185 /nfs/dbraw/zinc/56/41/85/562564185.db2.gz NMQHRSDWEDNLII-UHFFFAOYSA-N -1 1 356.331 2.036 20 5 FEBDMM O=C([O-])CCc1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000739776176 600628786 /nfs/dbraw/zinc/62/87/86/600628786.db2.gz DVVAZMNTDXIMKR-UHFFFAOYSA-N -1 1 362.323 2.462 20 5 FEBDMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829161072 601270771 /nfs/dbraw/zinc/27/07/71/601270771.db2.gz MMYIZMXVJOFBIX-HUUCEWRRSA-N -1 1 361.398 2.382 20 5 FEBDMM CCCCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825268391 607583572 /nfs/dbraw/zinc/58/35/72/607583572.db2.gz ULYUWOFMSRJOOU-SNVBAGLBSA-N -1 1 368.419 2.022 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(Cl)cc1Cl ZINC000809821339 674512842 /nfs/dbraw/zinc/51/28/42/674512842.db2.gz LGTWPQZJRNBYPC-SNVBAGLBSA-N -1 1 369.226 2.341 20 5 FEBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822867 674513191 /nfs/dbraw/zinc/51/31/91/674513191.db2.gz UZZXMENDZACJQR-IUCAKERBSA-N -1 1 368.814 2.463 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000829217702 604302333 /nfs/dbraw/zinc/30/23/33/604302333.db2.gz ZIRIRTFFUAEKNV-UHFFFAOYSA-N -1 1 367.339 2.494 20 5 FEBDMM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821617821 606645466 /nfs/dbraw/zinc/64/54/66/606645466.db2.gz DCTYJZISGSCQTG-UHFFFAOYSA-N -1 1 364.369 2.298 20 5 FEBDMM COCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000821693482 606699643 /nfs/dbraw/zinc/69/96/43/606699643.db2.gz AGTGXHYWUYZJDE-UHFFFAOYSA-N -1 1 371.357 2.247 20 5 FEBDMM COCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000821693482 606699645 /nfs/dbraw/zinc/69/96/45/606699645.db2.gz AGTGXHYWUYZJDE-UHFFFAOYSA-N -1 1 371.357 2.247 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])COCc1ccccc1 ZINC000820280771 606700648 /nfs/dbraw/zinc/70/06/48/606700648.db2.gz OGOSGDCHAOLMJK-GFCCVEGCSA-N -1 1 369.385 2.435 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])COCc1ccccc1 ZINC000820280771 606700649 /nfs/dbraw/zinc/70/06/49/606700649.db2.gz OGOSGDCHAOLMJK-GFCCVEGCSA-N -1 1 369.385 2.435 20 5 FEBDMM Cc1ccccc1[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351237 606705791 /nfs/dbraw/zinc/70/57/91/606705791.db2.gz MOFVJMKKLYNNFW-LBPRGKRZSA-N -1 1 351.370 2.472 20 5 FEBDMM Cc1ccccc1[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351237 606705793 /nfs/dbraw/zinc/70/57/93/606705793.db2.gz MOFVJMKKLYNNFW-LBPRGKRZSA-N -1 1 351.370 2.472 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826263643 608784668 /nfs/dbraw/zinc/78/46/68/608784668.db2.gz LCYBYNRYOADYTE-UHFFFAOYSA-N -1 1 368.353 2.452 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826263643 608784669 /nfs/dbraw/zinc/78/46/69/608784669.db2.gz LCYBYNRYOADYTE-UHFFFAOYSA-N -1 1 368.353 2.452 20 5 FEBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024969 674900920 /nfs/dbraw/zinc/90/09/20/674900920.db2.gz AGMABNATGBMMKQ-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815027010 674901231 /nfs/dbraw/zinc/90/12/31/674901231.db2.gz WOTPUCYZMCARGY-JTQLQIEISA-N -1 1 352.771 2.091 20 5 FEBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815027525 674901869 /nfs/dbraw/zinc/90/18/69/674901869.db2.gz DZGXHMGVCWHZQW-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C1CCCC1 ZINC000815047471 674907441 /nfs/dbraw/zinc/90/74/41/674907441.db2.gz IQAAGSQKVSQLFF-NSHDSACASA-N -1 1 366.798 2.217 20 5 FEBDMM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000096706934 670761520 /nfs/dbraw/zinc/76/15/20/670761520.db2.gz JFGHEWUXSAKCGZ-SECBINFHSA-N -1 1 367.221 2.061 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cn1cccn1 ZINC000101572331 670769155 /nfs/dbraw/zinc/76/91/55/670769155.db2.gz JIVICFZFYDETEZ-SNVBAGLBSA-N -1 1 358.807 2.059 20 5 FEBDMM CCCOc1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119651440 671904733 /nfs/dbraw/zinc/90/47/33/671904733.db2.gz ONKAUFXVCOEKPZ-UHFFFAOYSA-N -1 1 357.413 2.319 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132307459 672096888 /nfs/dbraw/zinc/09/68/88/672096888.db2.gz BXLLJFBLXQPEFE-UHFFFAOYSA-N -1 1 367.358 2.203 20 5 FEBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000178614316 672393005 /nfs/dbraw/zinc/39/30/05/672393005.db2.gz UVRQTQYBGWAIEC-JTQLQIEISA-N -1 1 354.359 2.266 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000611025506 676012686 /nfs/dbraw/zinc/01/26/86/676012686.db2.gz RZAYYIVFDGINHH-UHFFFAOYSA-N -1 1 362.835 2.469 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000312376937 673028565 /nfs/dbraw/zinc/02/85/65/673028565.db2.gz MLLJSXOVEUDZNI-UHFFFAOYSA-N -1 1 361.177 2.190 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000594488692 673091563 /nfs/dbraw/zinc/09/15/63/673091563.db2.gz UMFCQLWZOZEXAZ-JQWIXIFHSA-N -1 1 368.333 2.373 20 5 FEBDMM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000594859161 673167377 /nfs/dbraw/zinc/16/73/77/673167377.db2.gz BFKQVEXQXNFQGE-RYUDHWBXSA-N -1 1 370.456 2.080 20 5 FEBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000731177623 673324967 /nfs/dbraw/zinc/32/49/67/673324967.db2.gz IGFSCCGXJBSUGG-UHFFFAOYSA-N -1 1 365.367 2.073 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c(C)c1[N+](=O)[O-] ZINC000598712834 673602132 /nfs/dbraw/zinc/60/21/32/673602132.db2.gz KNJTWSZTGGSHKM-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000543165507 673628758 /nfs/dbraw/zinc/62/87/58/673628758.db2.gz ARIZSORJYUJTCS-JTQLQIEISA-N -1 1 360.413 2.175 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000599214797 673642221 /nfs/dbraw/zinc/64/22/21/673642221.db2.gz BVUVGZXMWXHGHT-LLVKDONJSA-N -1 1 358.807 2.411 20 5 FEBDMM C[C@@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599277888 673652575 /nfs/dbraw/zinc/65/25/75/673652575.db2.gz KOSWGROHZMFWQZ-ABAIWWIYSA-N -1 1 364.427 2.320 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)COc2ccccc2O1 ZINC000599366511 673664730 /nfs/dbraw/zinc/66/47/30/673664730.db2.gz SWLKWZMGNSXOSO-CQSZACIVSA-N -1 1 370.408 2.165 20 5 FEBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000544182974 673696426 /nfs/dbraw/zinc/69/64/26/673696426.db2.gz ACUHRPVONVQXQG-BDAKNGLRSA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cccc(OCCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000742271211 673717284 /nfs/dbraw/zinc/71/72/84/673717284.db2.gz JOBWUVRHHHXUCA-UHFFFAOYSA-N -1 1 351.384 2.046 20 5 FEBDMM CC(=O)c1ccc(Oc2ccc([N-]S(C)(=O)=O)nc2)c([N+](=O)[O-])c1 ZINC000567194613 675274584 /nfs/dbraw/zinc/27/45/84/675274584.db2.gz ANKBFNNSDHKLGO-UHFFFAOYSA-N -1 1 351.340 2.356 20 5 FEBDMM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000821124066 675415883 /nfs/dbraw/zinc/41/58/83/675415883.db2.gz MTCKCUWQIFGGII-UHFFFAOYSA-N -1 1 362.791 2.476 20 5 FEBDMM CC(C)(CCC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000829468889 675880154 /nfs/dbraw/zinc/88/01/54/675880154.db2.gz SUONGPBWLLWXQL-LBPRGKRZSA-N -1 1 370.772 2.033 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000832233267 680113282 /nfs/dbraw/zinc/11/32/82/680113282.db2.gz XJWYEWQCVAIEEA-WFASDCNBSA-N -1 1 374.846 2.324 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2nccn21 ZINC000832426693 680133222 /nfs/dbraw/zinc/13/32/22/680133222.db2.gz ITUWFTIKJUDCNV-PSASIEDQSA-N -1 1 356.791 2.429 20 5 FEBDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000832525489 680144334 /nfs/dbraw/zinc/14/43/34/680144334.db2.gz ZAJCYDSZXQCHGW-FUXBKTLASA-N -1 1 366.798 2.479 20 5 FEBDMM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000832525491 680144348 /nfs/dbraw/zinc/14/43/48/680144348.db2.gz ZAJCYDSZXQCHGW-WPPNPWJKSA-N -1 1 366.798 2.479 20 5 FEBDMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832550758 680148417 /nfs/dbraw/zinc/14/84/17/680148417.db2.gz ULRCEOXTKXJERK-ZETCQYMHSA-N -1 1 368.770 2.006 20 5 FEBDMM Cn1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000759139254 680630445 /nfs/dbraw/zinc/63/04/45/680630445.db2.gz XWEYRFAVDCUYJL-UHFFFAOYSA-N -1 1 364.358 2.099 20 5 FEBDMM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000841554729 680896901 /nfs/dbraw/zinc/89/69/01/680896901.db2.gz QKFNOYWQKBRPFA-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@](C)(O)c1ccccc1 ZINC000845975453 681167883 /nfs/dbraw/zinc/16/78/83/681167883.db2.gz BNRBAUIZQVJEBA-HZMBPMFUSA-N -1 1 356.425 2.231 20 5 FEBDMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000846011533 681173190 /nfs/dbraw/zinc/17/31/90/681173190.db2.gz ZULNYHHETLRJBA-MRVPVSSYSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776586757 681411774 /nfs/dbraw/zinc/41/17/74/681411774.db2.gz GOULGDBCRWSNKZ-LURJTMIESA-N -1 1 371.198 2.291 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(OC)OC ZINC000849405655 681716994 /nfs/dbraw/zinc/71/69/94/681716994.db2.gz MUYGDENEBNMRDN-VIFPVBQESA-N -1 1 370.786 2.063 20 5 FEBDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000851854958 682164161 /nfs/dbraw/zinc/16/41/61/682164161.db2.gz XDQQTHNZEGSHJF-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM COC(CCCC(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC ZINC000790036640 682650181 /nfs/dbraw/zinc/65/01/81/682650181.db2.gz PLVHALZOUXHNMK-UHFFFAOYSA-N -1 1 355.391 2.241 20 5 FEBDMM CS(=O)(=O)c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000792036309 682783000 /nfs/dbraw/zinc/78/30/00/682783000.db2.gz ZOESROLCBGHTCC-UHFFFAOYSA-N -1 1 351.336 2.061 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)cc1Cl ZINC000859252894 683065262 /nfs/dbraw/zinc/06/52/62/683065262.db2.gz POKOLNFWHXDTRN-SECBINFHSA-N -1 1 366.798 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000859368319 683095318 /nfs/dbraw/zinc/09/53/18/683095318.db2.gz YCPDNDHXWDSCAY-PELKAZGASA-N -1 1 364.782 2.233 20 5 FEBDMM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796100562 683127690 /nfs/dbraw/zinc/12/76/90/683127690.db2.gz SVWVLQXNXPCVCP-QMTHXVAHSA-N -1 1 356.425 2.365 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC000921319998 683421629 /nfs/dbraw/zinc/42/16/29/683421629.db2.gz ZJYQCSYCNBXQHO-CZUORRHYSA-N -1 1 366.370 2.486 20 5 FEBDMM O=C([N-]CC1CN(c2nccc3c2cccc3[N+](=O)[O-])C1)C(F)(F)F ZINC000866294732 684090101 /nfs/dbraw/zinc/09/01/01/684090101.db2.gz VNFPTYASXVNYCB-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM O=C([O-])Cc1ccc(N[C@H]2CCCN3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000910387600 685046186 /nfs/dbraw/zinc/04/61/86/685046186.db2.gz XEGNMBOAEGHELL-SWLSCSKDSA-N -1 1 351.428 2.214 20 5 FEBDMM O=C([O-])[C@@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCc2ccccc21 ZINC000610845868 939807782 /nfs/dbraw/zinc/80/77/82/939807782.db2.gz CSKAPMFAUNLQLN-GOSISDBHSA-N -1 1 366.333 2.127 20 5 FEBDMM CC(=O)NCCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCSCC1 ZINC000549850229 674066709 /nfs/dbraw/zinc/06/67/09/674066709.db2.gz QTNOOHDZNSQSLF-UHFFFAOYSA-N -1 1 353.444 2.134 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000030530290 539884420 /nfs/dbraw/zinc/88/44/20/539884420.db2.gz ADUUWROTOLGTNJ-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000032631046 539946314 /nfs/dbraw/zinc/94/63/14/539946314.db2.gz HVZUUIHFJYCGEG-UHFFFAOYSA-N -1 1 352.368 2.421 20 5 FEBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccncc1[O-] ZINC000550308045 674089370 /nfs/dbraw/zinc/08/93/70/674089370.db2.gz ZNAGXFFTAPCOKZ-UHFFFAOYSA-N -1 1 352.144 2.441 20 5 FEBDMM CCn1c(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n[n-]c1=S ZINC000066636711 541351522 /nfs/dbraw/zinc/35/15/22/541351522.db2.gz XBALMHDMHMEDQB-UHFFFAOYSA-N -1 1 366.359 2.015 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000124271233 543811337 /nfs/dbraw/zinc/81/13/37/543811337.db2.gz XBSYQHLQNITILF-ZETCQYMHSA-N -1 1 358.280 2.002 20 5 FEBDMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124697229 543837346 /nfs/dbraw/zinc/83/73/46/543837346.db2.gz KNBSLSAUKWCFFQ-YPMHNXCESA-N -1 1 370.452 2.489 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126911856 543962824 /nfs/dbraw/zinc/96/28/24/543962824.db2.gz RNMIPMGCGRZMEN-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000179028950 327621720 /nfs/dbraw/zinc/62/17/20/327621720.db2.gz FMMSSWDZCDIXMR-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM CN(C)c1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000187157102 328005509 /nfs/dbraw/zinc/00/55/09/328005509.db2.gz JFXYJSCCNJGGMH-UHFFFAOYSA-N -1 1 367.365 2.240 20 5 FEBDMM C[C@@H](O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccccc1 ZINC000191791778 328282003 /nfs/dbraw/zinc/28/20/03/328282003.db2.gz BVVVITCMXDDPSP-KZULUSFZSA-N -1 1 359.382 2.055 20 5 FEBDMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193833756 328397861 /nfs/dbraw/zinc/39/78/61/328397861.db2.gz JJGFIDNQZPIGAV-GFCCVEGCSA-N -1 1 362.773 2.358 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000080788080 325144518 /nfs/dbraw/zinc/14/45/18/325144518.db2.gz AGRGXLMZLXHXBU-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(N2CCCC2)c1 ZINC000088460470 325294833 /nfs/dbraw/zinc/29/48/33/325294833.db2.gz JCFXWYZZBWXGIB-GFCCVEGCSA-N -1 1 356.382 2.374 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178710847 327601835 /nfs/dbraw/zinc/60/18/35/327601835.db2.gz BWKSXPFPBNDETB-OCCSQVGLSA-N -1 1 368.798 2.185 20 5 FEBDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000477389391 561143794 /nfs/dbraw/zinc/14/37/94/561143794.db2.gz BETQNYNBFIIYHJ-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000480064748 561202334 /nfs/dbraw/zinc/20/23/34/561202334.db2.gz DDTMVPLGIYIZAE-CHWSQXEVSA-N -1 1 374.463 2.073 20 5 FEBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178950006 546879928 /nfs/dbraw/zinc/87/99/28/546879928.db2.gz CVWJFWCXIUGRKA-DOMZBBRYSA-N -1 1 367.452 2.380 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000481964146 561246249 /nfs/dbraw/zinc/24/62/49/561246249.db2.gz ZTXBKYAABPQRSS-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000184604557 547853530 /nfs/dbraw/zinc/85/35/30/547853530.db2.gz UEJUTWSRLSGKLW-SNVBAGLBSA-N -1 1 368.415 2.456 20 5 FEBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cc4ccccc4o3)n2)c1[N+](=O)[O-] ZINC000485145230 561313821 /nfs/dbraw/zinc/31/38/21/561313821.db2.gz VVLMBHVFYLNOEU-UHFFFAOYSA-N -1 1 353.298 2.410 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000194643690 548511253 /nfs/dbraw/zinc/51/12/53/548511253.db2.gz ZMTOAXDJWKJUCN-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000486827686 561357614 /nfs/dbraw/zinc/35/76/14/561357614.db2.gz SPVACUPARNODBG-BZBKMWRSSA-N -1 1 361.217 2.434 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000272521055 550455318 /nfs/dbraw/zinc/45/53/18/550455318.db2.gz XRBDBXIPRKXJTA-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000276962554 550616075 /nfs/dbraw/zinc/61/60/75/550616075.db2.gz PIDWUFNYZNIPDO-DTWKUNHWSA-N -1 1 371.394 2.405 20 5 FEBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000276962554 550616076 /nfs/dbraw/zinc/61/60/76/550616076.db2.gz PIDWUFNYZNIPDO-DTWKUNHWSA-N -1 1 371.394 2.405 20 5 FEBDMM O=C(CCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OCc1ccccc1 ZINC000277953935 550732656 /nfs/dbraw/zinc/73/26/56/550732656.db2.gz DAAANJVAWSIYTB-UHFFFAOYSA-N -1 1 373.365 2.339 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281771220 551141660 /nfs/dbraw/zinc/14/16/60/551141660.db2.gz GQJOBHPSULWTPL-UHFFFAOYSA-N -1 1 361.320 2.498 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c(=O)[n-]1 ZINC000288817441 552218145 /nfs/dbraw/zinc/21/81/45/552218145.db2.gz MXHYIVPHKKWCSK-UHFFFAOYSA-N -1 1 363.399 2.111 20 5 FEBDMM Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290414340 552475535 /nfs/dbraw/zinc/47/55/35/552475535.db2.gz RBAAXYNQOISVCZ-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000290820043 552543695 /nfs/dbraw/zinc/54/36/95/552543695.db2.gz SYAGMNOMXRTCMW-JTQLQIEISA-N -1 1 374.781 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)c1Cl ZINC000295785799 553058968 /nfs/dbraw/zinc/05/89/68/553058968.db2.gz RENPOLWXPVDUDY-SFYZADRCSA-N -1 1 369.226 2.341 20 5 FEBDMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000326558305 553781514 /nfs/dbraw/zinc/78/15/14/553781514.db2.gz YFGRIDAOUAWXIV-UHFFFAOYSA-N -1 1 354.315 2.162 20 5 FEBDMM Cc1ncc(Cl)c(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)n1 ZINC000610338012 554493485 /nfs/dbraw/zinc/49/34/85/554493485.db2.gz OKCHYKVKQDIXKX-UHFFFAOYSA-N -1 1 359.733 2.384 20 5 FEBDMM Cc1cc(C)nc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000373572604 557720463 /nfs/dbraw/zinc/72/04/63/557720463.db2.gz KTXANDDSMGRCRM-UHFFFAOYSA-N -1 1 357.370 2.122 20 5 FEBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncc([N+](=O)[O-])s3)c2)n1 ZINC000409642963 558710116 /nfs/dbraw/zinc/71/01/16/558710116.db2.gz AFGXGZYCWAESLH-UHFFFAOYSA-N -1 1 374.382 2.625 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccn1 ZINC000525601171 562250673 /nfs/dbraw/zinc/25/06/73/562250673.db2.gz QQBXPIBGYPUDQF-INIZCTEOSA-N -1 1 370.390 2.453 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000525688602 562252118 /nfs/dbraw/zinc/25/21/18/562252118.db2.gz FARSQKOHMNNGPS-UKRRQHHQSA-N -1 1 363.395 2.188 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000416664043 559328534 /nfs/dbraw/zinc/32/85/34/559328534.db2.gz SQSIUECURNUJCS-LLVKDONJSA-N -1 1 371.415 2.353 20 5 FEBDMM Cn1c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2cc(Cl)ccc21 ZINC000429557473 559801292 /nfs/dbraw/zinc/80/12/92/559801292.db2.gz BRYAOHZWRUKWKJ-UHFFFAOYSA-N -1 1 361.745 2.166 20 5 FEBDMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000431655065 559843512 /nfs/dbraw/zinc/84/35/12/559843512.db2.gz WCXAQHLMJBFSOW-NSHDSACASA-N -1 1 362.773 2.358 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)c([N+](=O)[O-])n1 ZINC000432308727 559856013 /nfs/dbraw/zinc/85/60/13/559856013.db2.gz UGDYACARIZXBKR-UHFFFAOYSA-N -1 1 374.369 2.401 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC000436958741 559957550 /nfs/dbraw/zinc/95/75/50/559957550.db2.gz JWVFRBVJTYVLEY-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000440098599 560004620 /nfs/dbraw/zinc/00/46/20/560004620.db2.gz OZQCVLOJJDBPIL-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM CN1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc21 ZINC000444281185 560107998 /nfs/dbraw/zinc/10/79/98/560107998.db2.gz VCCYKFYPKAITDY-NSHDSACASA-N -1 1 367.452 2.243 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000469269249 560951469 /nfs/dbraw/zinc/95/14/69/560951469.db2.gz YXBVKQBRDQZIOO-UHFFFAOYSA-N -1 1 366.351 2.031 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000471137284 560998994 /nfs/dbraw/zinc/99/89/94/560998994.db2.gz RERKFFBVYKWQPY-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000531786691 562456595 /nfs/dbraw/zinc/45/65/95/562456595.db2.gz LNBGIMMEFBTYEB-OAHLLOKOSA-N -1 1 370.427 2.136 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000532777082 562488511 /nfs/dbraw/zinc/48/85/11/562488511.db2.gz JFEKEVNRKYWHED-UHFFFAOYSA-N -1 1 357.775 2.001 20 5 FEBDMM COc1ccc(OC)c(CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000535524559 562560406 /nfs/dbraw/zinc/56/04/06/562560406.db2.gz NPKRKXRAPAONAX-UHFFFAOYSA-N -1 1 361.354 2.075 20 5 FEBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535531674 562560605 /nfs/dbraw/zinc/56/06/05/562560605.db2.gz CHFFHPYGEMVOCA-VIFPVBQESA-N -1 1 364.807 2.258 20 5 FEBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@@H](C)C3)c2)C1 ZINC000820728645 599513115 /nfs/dbraw/zinc/51/31/15/599513115.db2.gz XQAHCDJBVXUAGE-VXGBXAGGSA-N -1 1 357.418 2.467 20 5 FEBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@@H](C)C3)c2)C1 ZINC000820728645 599513117 /nfs/dbraw/zinc/51/31/17/599513117.db2.gz XQAHCDJBVXUAGE-VXGBXAGGSA-N -1 1 357.418 2.467 20 5 FEBDMM Cc1[nH]nc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000738248765 599747260 /nfs/dbraw/zinc/74/72/60/599747260.db2.gz KHXRTSAIIVUUFA-UHFFFAOYSA-N -1 1 352.734 2.007 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832957365 601588891 /nfs/dbraw/zinc/58/88/91/601588891.db2.gz BCTQAPFBTNHVFE-LBPRGKRZSA-N -1 1 364.402 2.224 20 5 FEBDMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)n1 ZINC000832953044 601771432 /nfs/dbraw/zinc/77/14/32/601771432.db2.gz ZXQMXZASWPDEBX-UHFFFAOYSA-N -1 1 351.340 2.106 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccnc1Cl ZINC000809380189 674492283 /nfs/dbraw/zinc/49/22/83/674492283.db2.gz XBQFJLCAMFKVMF-UHFFFAOYSA-N -1 1 363.182 2.170 20 5 FEBDMM CC[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819899 674512739 /nfs/dbraw/zinc/51/27/39/674512739.db2.gz HCCJIEDKDYTONM-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCO1 ZINC000809825550 674513385 /nfs/dbraw/zinc/51/33/85/674513385.db2.gz QMJDMOLQBAHRJZ-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830031 674514018 /nfs/dbraw/zinc/51/40/18/674514018.db2.gz QHXCBWPOQMXXJS-QPUJVOFHSA-N -1 1 366.798 2.481 20 5 FEBDMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000809818165 674512107 /nfs/dbraw/zinc/51/21/07/674512107.db2.gz CFLCWQHJXYHJLD-UHFFFAOYSA-N -1 1 362.770 2.151 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826467519 607597007 /nfs/dbraw/zinc/59/70/07/607597007.db2.gz ZXIZYFRLDHWIEG-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826467519 607597009 /nfs/dbraw/zinc/59/70/09/607597009.db2.gz ZXIZYFRLDHWIEG-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)cc1Cl ZINC000809841482 674515534 /nfs/dbraw/zinc/51/55/34/674515534.db2.gz KODQKMNKUYFJRT-VIFPVBQESA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823723182 603627985 /nfs/dbraw/zinc/62/79/85/603627985.db2.gz JFAUPMLESDHGNJ-NSHDSACASA-N -1 1 352.391 2.147 20 5 FEBDMM CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000828417294 603985091 /nfs/dbraw/zinc/98/50/91/603985091.db2.gz ZDIXWDXDGJGNJE-UHFFFAOYSA-N -1 1 361.358 2.219 20 5 FEBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000825264495 604216802 /nfs/dbraw/zinc/21/68/02/604216802.db2.gz KQYRHSZMZMSWAR-RYUDHWBXSA-N -1 1 365.386 2.329 20 5 FEBDMM CC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000829161723 604263296 /nfs/dbraw/zinc/26/32/96/604263296.db2.gz POEDLKBPDJRZGF-LLVKDONJSA-N -1 1 371.821 2.493 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1[N+](=O)[O-] ZINC000833508769 605058268 /nfs/dbraw/zinc/05/82/68/605058268.db2.gz XVBMDKDMLIXXEB-UHFFFAOYSA-N -1 1 358.314 2.268 20 5 FEBDMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833383519 605366870 /nfs/dbraw/zinc/36/68/70/605366870.db2.gz UQKMGWXRYCRLJZ-YPDDLIOESA-N -1 1 361.398 2.006 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453228 605374348 /nfs/dbraw/zinc/37/43/48/605374348.db2.gz IATDEXPVSQRNFZ-UHFFFAOYSA-N -1 1 365.390 2.188 20 5 FEBDMM CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000826887622 605377600 /nfs/dbraw/zinc/37/76/00/605377600.db2.gz WGRXFWDNDFCFIJ-SNVBAGLBSA-N -1 1 353.379 2.046 20 5 FEBDMM Cn1cc(CN2CCC[C@@H](NC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949032 605485479 /nfs/dbraw/zinc/48/54/79/605485479.db2.gz LGOABHINQZIHGK-CQSZACIVSA-N -1 1 359.386 2.227 20 5 FEBDMM Cc1nn(CN2CCC3(C2)CCN(C(=O)[O-])CC3)c2ncc([N+](=O)[O-])cc12 ZINC000833919995 605861557 /nfs/dbraw/zinc/86/15/57/605861557.db2.gz CMBVBAJTTVMVGZ-UHFFFAOYSA-N -1 1 374.401 2.071 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821846560 606137842 /nfs/dbraw/zinc/13/78/42/606137842.db2.gz UHRSXLXETHVWOH-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821846560 606137843 /nfs/dbraw/zinc/13/78/43/606137843.db2.gz UHRSXLXETHVWOH-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM COc1ccccc1C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821890216 606704630 /nfs/dbraw/zinc/70/46/30/606704630.db2.gz JUCKTXDKKDYRTR-UHFFFAOYSA-N -1 1 367.369 2.322 20 5 FEBDMM COc1ccccc1C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821890216 606704632 /nfs/dbraw/zinc/70/46/32/606704632.db2.gz JUCKTXDKKDYRTR-UHFFFAOYSA-N -1 1 367.369 2.322 20 5 FEBDMM COC(=O)CCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821661457 606707957 /nfs/dbraw/zinc/70/79/57/606707957.db2.gz KFLOKJSMQDWTDF-UHFFFAOYSA-N -1 1 369.341 2.019 20 5 FEBDMM COC(=O)CCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821661457 606707959 /nfs/dbraw/zinc/70/79/59/606707959.db2.gz KFLOKJSMQDWTDF-UHFFFAOYSA-N -1 1 369.341 2.019 20 5 FEBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000821824144 607038370 /nfs/dbraw/zinc/03/83/70/607038370.db2.gz IBOZFALTFJYVIB-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000821824144 607038371 /nfs/dbraw/zinc/03/83/71/607038371.db2.gz IBOZFALTFJYVIB-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(C2CC2)n1C1CC1 ZINC000823630484 607165401 /nfs/dbraw/zinc/16/54/01/607165401.db2.gz XVHFJMYYMOWHDA-UHFFFAOYSA-N -1 1 371.386 2.125 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(C2CC2)n1C1CC1 ZINC000823630484 607165402 /nfs/dbraw/zinc/16/54/02/607165402.db2.gz XVHFJMYYMOWHDA-UHFFFAOYSA-N -1 1 371.386 2.125 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000820281606 607167177 /nfs/dbraw/zinc/16/71/77/607167177.db2.gz WTBDASWLIFFQSJ-NSHDSACASA-N -1 1 366.385 2.033 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000820281606 607167178 /nfs/dbraw/zinc/16/71/78/607167178.db2.gz WTBDASWLIFFQSJ-NSHDSACASA-N -1 1 366.385 2.033 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCCCNc2ccccn2)cc1-c1nn[n-]n1 ZINC000826498974 607841438 /nfs/dbraw/zinc/84/14/38/607841438.db2.gz QPJUBUUAEFMMGI-UHFFFAOYSA-N -1 1 354.374 2.474 20 5 FEBDMM CSCCNc1cc(NCCSC)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826229163 607894989 /nfs/dbraw/zinc/89/49/89/607894989.db2.gz RUGAXNAWMSOXRT-UHFFFAOYSA-N -1 1 369.476 2.325 20 5 FEBDMM CSCCNc1cc(NCCSC)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826229163 607894990 /nfs/dbraw/zinc/89/49/90/607894990.db2.gz RUGAXNAWMSOXRT-UHFFFAOYSA-N -1 1 369.476 2.325 20 5 FEBDMM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000813496619 674752405 /nfs/dbraw/zinc/75/24/05/674752405.db2.gz NXJZLFWSQRMYBH-ZETCQYMHSA-N -1 1 371.184 2.435 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000562434778 674756134 /nfs/dbraw/zinc/75/61/34/674756134.db2.gz ONDFDHQLQOVHJE-NWDGAFQWSA-N -1 1 353.787 2.478 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CCC1 ZINC000813721107 674773988 /nfs/dbraw/zinc/77/39/88/674773988.db2.gz OIIYSMUWLIVGPX-AWEZNQCLSA-N -1 1 360.407 2.199 20 5 FEBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017976 674897766 /nfs/dbraw/zinc/89/77/66/674897766.db2.gz BGMQCSFKDBXQQG-QMMMGPOBSA-N -1 1 354.787 2.217 20 5 FEBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022704 674899802 /nfs/dbraw/zinc/89/98/02/674899802.db2.gz WPKZWHFNZFPUKI-DTWKUNHWSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000815030057 674902824 /nfs/dbraw/zinc/90/28/24/674902824.db2.gz GMJAAYBELXIHQD-QMMMGPOBSA-N -1 1 352.771 2.235 20 5 FEBDMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815038790 674905556 /nfs/dbraw/zinc/90/55/56/674905556.db2.gz PJONHKGOFLPAJW-NSHDSACASA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000815043217 674905959 /nfs/dbraw/zinc/90/59/59/674905959.db2.gz QBNHKSMLQUFJQI-SSDOTTSWSA-N -1 1 354.812 2.419 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1[N+](=O)[O-] ZINC000055590960 670352307 /nfs/dbraw/zinc/35/23/07/670352307.db2.gz SJDSEZUICMYMDK-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM NC(=O)c1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000579895782 671768168 /nfs/dbraw/zinc/76/81/68/671768168.db2.gz NUMHPFLRYMWDBU-UHFFFAOYSA-N -1 1 356.310 2.419 20 5 FEBDMM CCc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000581011081 671855080 /nfs/dbraw/zinc/85/50/80/671855080.db2.gz BYZXETFMCJFFGY-UHFFFAOYSA-N -1 1 351.388 2.344 20 5 FEBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119472718 671900493 /nfs/dbraw/zinc/90/04/93/671900493.db2.gz SVZSLJXHMHKYLE-CYBMUJFWSA-N -1 1 354.359 2.054 20 5 FEBDMM Cc1ccc(OCCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610262323 675962194 /nfs/dbraw/zinc/96/21/94/675962194.db2.gz QXVIPOHJKANYEW-UHFFFAOYSA-N -1 1 351.384 2.046 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000610267292 675963555 /nfs/dbraw/zinc/96/35/55/675963555.db2.gz OSFILZHLLUXFRE-SNVBAGLBSA-N -1 1 371.802 2.389 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000583260776 672079021 /nfs/dbraw/zinc/07/90/21/672079021.db2.gz LDVHHZJQUOMLBH-UHFFFAOYSA-N -1 1 356.429 2.050 20 5 FEBDMM O=C([N-]c1nn2cnnc2s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610573187 675982030 /nfs/dbraw/zinc/98/20/30/675982030.db2.gz QQVCLQCSCTZLBP-UHFFFAOYSA-N -1 1 369.160 2.109 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1F ZINC000159110262 672277423 /nfs/dbraw/zinc/27/74/23/672277423.db2.gz YMCJTSITPWKMFA-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000611106715 676017983 /nfs/dbraw/zinc/01/79/83/676017983.db2.gz BFEOHFMPEPCLEJ-UHFFFAOYSA-N -1 1 374.369 2.303 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@](C)(CC)c2nc(C)cs2)c([N+](=O)[O-])n1 ZINC000611109023 676018349 /nfs/dbraw/zinc/01/83/49/676018349.db2.gz ZIAYTNBYVOMMSS-ZDUSSCGKSA-N -1 1 373.460 2.180 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906060 672492397 /nfs/dbraw/zinc/49/23/97/672492397.db2.gz HJIUIVDKYJHSRB-UHFFFAOYSA-N -1 1 350.343 2.460 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000612174443 676072377 /nfs/dbraw/zinc/07/23/77/676072377.db2.gz LIHVJHXTUMEYCG-UONOGXRCSA-N -1 1 360.819 2.484 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000594744443 673127156 /nfs/dbraw/zinc/12/71/56/673127156.db2.gz KOHIVCZDHNTVHG-ZDUSSCGKSA-N -1 1 351.384 2.428 20 5 FEBDMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381473 673238535 /nfs/dbraw/zinc/23/85/35/673238535.db2.gz LZRGPKJUYQLQHQ-CMPLNLGQSA-N -1 1 356.425 2.099 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2CC(C)C)c([N+](=O)[O-])n1 ZINC000599358669 673663414 /nfs/dbraw/zinc/66/34/14/673663414.db2.gz LHWRELSVFLDPKB-UHFFFAOYSA-N -1 1 366.443 2.488 20 5 FEBDMM CC(C)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000601476677 673868904 /nfs/dbraw/zinc/86/89/04/673868904.db2.gz WSHFCOMTFNFNKI-UHFFFAOYSA-N -1 1 355.185 2.384 20 5 FEBDMM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548262222 673944449 /nfs/dbraw/zinc/94/44/49/673944449.db2.gz JAVDVEOKDHWATK-GXSJLCMTSA-N -1 1 362.379 2.292 20 5 FEBDMM CC1([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])CCCCC1 ZINC000548684041 673986662 /nfs/dbraw/zinc/98/66/62/673986662.db2.gz ZLRUUKYWORSFNI-CYBMUJFWSA-N -1 1 374.390 2.436 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000567851793 675329232 /nfs/dbraw/zinc/32/92/32/675329232.db2.gz HODDDAWFBHHEBX-SECBINFHSA-N -1 1 364.326 2.470 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000567851794 675329263 /nfs/dbraw/zinc/32/92/63/675329263.db2.gz HODDDAWFBHHEBX-VIFPVBQESA-N -1 1 364.326 2.470 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000828199148 675805567 /nfs/dbraw/zinc/80/55/67/675805567.db2.gz UCDCJXJEMNUYGG-HNNXBMFYSA-N -1 1 372.418 2.366 20 5 FEBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC ZINC000831764489 680040271 /nfs/dbraw/zinc/04/02/71/680040271.db2.gz VSYQOMVJAYIDIG-QMMMGPOBSA-N -1 1 354.787 2.481 20 5 FEBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC ZINC000832124889 680098499 /nfs/dbraw/zinc/09/84/99/680098499.db2.gz RXWPLMBGAMCTEB-LBPRGKRZSA-N -1 1 354.787 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000832318137 680123002 /nfs/dbraw/zinc/12/30/02/680123002.db2.gz UPXVRXDLNJFLLJ-LBPRGKRZSA-N -1 1 364.782 2.235 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768817915 680959469 /nfs/dbraw/zinc/95/94/69/680959469.db2.gz SQGCUOBIPGNJDZ-UHFFFAOYSA-N -1 1 373.368 2.052 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])n1 ZINC000846023336 681174765 /nfs/dbraw/zinc/17/47/65/681174765.db2.gz SJAZRCCLZDMCKF-MRVPVSSYSA-N -1 1 371.246 2.064 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000849427824 681730906 /nfs/dbraw/zinc/73/09/06/681730906.db2.gz LLSPTUXMWOHIOS-SSDOTTSWSA-N -1 1 365.180 2.493 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1(CO)CC1 ZINC000849434256 681732741 /nfs/dbraw/zinc/73/27/41/681732741.db2.gz VQAQOSIATIZWLH-SSDOTTSWSA-N -1 1 369.226 2.341 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849436375 681734053 /nfs/dbraw/zinc/73/40/53/681734053.db2.gz BDDBGMIIIIHTSL-ZKCHVHJHSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000784215738 682208131 /nfs/dbraw/zinc/20/81/31/682208131.db2.gz PFROFHFNDNXZIT-TUAOUCFPSA-N -1 1 350.371 2.350 20 5 FEBDMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000917734269 685534302 /nfs/dbraw/zinc/53/43/02/685534302.db2.gz JDGKHNKQFHTUGW-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000788490127 682533169 /nfs/dbraw/zinc/53/31/69/682533169.db2.gz WIGWQCOVVJILNJ-UHFFFAOYSA-N -1 1 358.353 2.164 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)cc1Cl ZINC000791411014 682741384 /nfs/dbraw/zinc/74/13/84/682741384.db2.gz GNYMSJGDUOGCJE-SSDOTTSWSA-N -1 1 355.199 2.359 20 5 FEBDMM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421536 682742105 /nfs/dbraw/zinc/74/21/05/682742105.db2.gz PITLSHCGWGBSHO-JTQLQIEISA-N -1 1 357.215 2.197 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000859251909 683065339 /nfs/dbraw/zinc/06/53/39/683065339.db2.gz GTBUVDMVHOFMFY-SECBINFHSA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859340825 683087457 /nfs/dbraw/zinc/08/74/57/683087457.db2.gz IVQLUKZBUOSVCX-UGNBQVLZSA-N -1 1 366.798 2.478 20 5 FEBDMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228524 683325167 /nfs/dbraw/zinc/32/51/67/683325167.db2.gz METFLDOUEIMEDK-RDDDGLTNSA-N -1 1 354.787 2.073 20 5 FEBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228522 683325574 /nfs/dbraw/zinc/32/55/74/683325574.db2.gz METFLDOUEIMEDK-CPCISQLKSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCOC1 ZINC000921857539 683596233 /nfs/dbraw/zinc/59/62/33/683596233.db2.gz WQXNHPMMCWOJRJ-SMDDNHRTSA-N -1 1 358.391 2.217 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000867735577 684366202 /nfs/dbraw/zinc/36/62/02/684366202.db2.gz HKOFVROMDUWKEZ-RISCZKNCSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028726 691881789 /nfs/dbraw/zinc/88/17/89/691881789.db2.gz VJFPISNFOIBMBE-NEPJUHHUSA-N -1 1 360.288 2.310 20 5 FEBDMM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2C1 ZINC000025639051 539764271 /nfs/dbraw/zinc/76/42/71/539764271.db2.gz AQWZRZLRDZORFW-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CCCC2)no1 ZINC000041629033 540028948 /nfs/dbraw/zinc/02/89/48/540028948.db2.gz MOOZGBPWSOQZLV-UHFFFAOYSA-N -1 1 366.399 2.342 20 5 FEBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1C ZINC000800929660 674091000 /nfs/dbraw/zinc/09/10/00/674091000.db2.gz KSZWLEPZMKIHEQ-UHFFFAOYSA-N -1 1 371.346 2.050 20 5 FEBDMM CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)[n-]1 ZINC000105473360 209266180 /nfs/dbraw/zinc/26/61/80/209266180.db2.gz QLIPFEULOIXHOH-UHFFFAOYSA-N -1 1 366.374 2.419 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000066001558 541277237 /nfs/dbraw/zinc/27/72/37/541277237.db2.gz OUBCWVXJOLWYBR-LBPRGKRZSA-N -1 1 367.452 2.461 20 5 FEBDMM CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[n-]c1=S ZINC000067071565 541413580 /nfs/dbraw/zinc/41/35/80/541413580.db2.gz PFKHOGPUDSFIHP-UHFFFAOYSA-N -1 1 364.431 2.426 20 5 FEBDMM CC(C)n1c(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[n-]c1=S ZINC000067072755 541413905 /nfs/dbraw/zinc/41/39/05/541413905.db2.gz QRQNQGKCPYZCJF-UHFFFAOYSA-N -1 1 368.394 2.124 20 5 FEBDMM CC(C)n1c(CNC(=O)CNc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067071917 541413964 /nfs/dbraw/zinc/41/39/64/541413964.db2.gz MEDWPLOVHWZEBH-UHFFFAOYSA-N -1 1 350.404 2.158 20 5 FEBDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000067119231 541420645 /nfs/dbraw/zinc/42/06/45/541420645.db2.gz KJZHHGYKPNHIBM-UHFFFAOYSA-N -1 1 362.415 2.047 20 5 FEBDMM Cn1c(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000078536036 542466216 /nfs/dbraw/zinc/46/62/16/542466216.db2.gz DUHWZVDHXJXTFT-UHFFFAOYSA-N -1 1 361.427 2.335 20 5 FEBDMM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000111356045 543398889 /nfs/dbraw/zinc/39/88/89/543398889.db2.gz ZEXMXBVGWPITHF-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000124271456 543811410 /nfs/dbraw/zinc/81/14/10/543811410.db2.gz XBSYQHLQNITILF-SSDOTTSWSA-N -1 1 358.280 2.002 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000028812921 324442507 /nfs/dbraw/zinc/44/25/07/324442507.db2.gz GOOOGYWGTKBRQO-UHFFFAOYSA-N -1 1 368.349 2.444 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(N2CCCC2)c1 ZINC000088460460 325294694 /nfs/dbraw/zinc/29/46/94/325294694.db2.gz JCFXWYZZBWXGIB-LBPRGKRZSA-N -1 1 356.382 2.374 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304970 325310931 /nfs/dbraw/zinc/31/09/31/325310931.db2.gz ZMYBYXWCKYHVQY-UHFFFAOYSA-N -1 1 358.398 2.257 20 5 FEBDMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c2=O ZINC000119405405 326158325 /nfs/dbraw/zinc/15/83/25/326158325.db2.gz GQXVTFITTBLCHA-UHFFFAOYSA-N -1 1 367.365 2.387 20 5 FEBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119498605 326168894 /nfs/dbraw/zinc/16/88/94/326168894.db2.gz SWQCQMGTEIZOJJ-LBPRGKRZSA-N -1 1 373.818 2.422 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cn1cccn1 ZINC000119562817 326175836 /nfs/dbraw/zinc/17/58/36/326175836.db2.gz VXQWDXGYXUNDNX-SNVBAGLBSA-N -1 1 358.807 2.059 20 5 FEBDMM COc1cccc(Cc2nnc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)s2)c1 ZINC000119695776 326188597 /nfs/dbraw/zinc/18/85/97/326188597.db2.gz OODJTHUYYWRUCF-UHFFFAOYSA-N -1 1 374.382 2.032 20 5 FEBDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153411123 326732347 /nfs/dbraw/zinc/73/23/47/326732347.db2.gz CSUVPQKDLNGEIR-XDTLVQLUSA-N -1 1 360.819 2.340 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000162669406 327031356 /nfs/dbraw/zinc/03/13/56/327031356.db2.gz HJZKCAZOAHGOLI-GXFFZTMASA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000163201964 327045504 /nfs/dbraw/zinc/04/55/04/327045504.db2.gz YKHNHXOHSIPYIR-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC000164367571 327069263 /nfs/dbraw/zinc/06/92/63/327069263.db2.gz BRKFZYKAAVVLLV-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000167893308 327086214 /nfs/dbraw/zinc/08/62/14/327086214.db2.gz UJIDWPNGUANPFZ-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173978500 327299483 /nfs/dbraw/zinc/29/94/83/327299483.db2.gz WQYNNAQKMDTPOB-UHFFFAOYSA-N -1 1 358.807 2.077 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000273647587 329881474 /nfs/dbraw/zinc/88/14/74/329881474.db2.gz VYMAGEAINWSTQQ-SECBINFHSA-N -1 1 356.429 2.411 20 5 FEBDMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000554647193 674327883 /nfs/dbraw/zinc/32/78/83/674327883.db2.gz OUCTVCIFYBLHKH-UHFFFAOYSA-N -1 1 350.352 2.323 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)cc([N+](=O)[O-])c1 ZINC000484544788 561299450 /nfs/dbraw/zinc/29/94/50/561299450.db2.gz LKFGRGNBVHUQMC-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=c1cc(/C=C/c2ccc(Br)cc2[N+](=O)[O-])nc2nc[n-]n21 ZINC000486190267 561340531 /nfs/dbraw/zinc/34/05/31/561340531.db2.gz AYOVWLGOMUCEKE-DUXPYHPUSA-N -1 1 362.143 2.259 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486557085 561350626 /nfs/dbraw/zinc/35/06/26/561350626.db2.gz FRKUKNBQFQZWLU-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM O=C(NCc1sccc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195109193 548578370 /nfs/dbraw/zinc/57/83/70/548578370.db2.gz SIKSODZWTISHAP-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000487726164 561374598 /nfs/dbraw/zinc/37/45/98/561374598.db2.gz KPCVRTYWWPCEOJ-UHFFFAOYSA-N -1 1 351.384 2.498 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282259908 551202907 /nfs/dbraw/zinc/20/29/07/551202907.db2.gz RUZYTIYZEQWNMI-GFCCVEGCSA-N -1 1 371.397 2.248 20 5 FEBDMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000283467620 551371230 /nfs/dbraw/zinc/37/12/30/551371230.db2.gz GHPBQQNAKMQUDL-UHFFFAOYSA-N -1 1 354.787 2.215 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000284749399 551623840 /nfs/dbraw/zinc/62/38/40/551623840.db2.gz UHUBVIOPFHCBTA-UHFFFAOYSA-N -1 1 374.806 2.462 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288298359 552128212 /nfs/dbraw/zinc/12/82/12/552128212.db2.gz GPVGHPAQRFZXBZ-NSHDSACASA-N -1 1 354.306 2.223 20 5 FEBDMM CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289129130 552270184 /nfs/dbraw/zinc/27/01/84/552270184.db2.gz LDWUOVVDHAZAIK-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000290817264 552543436 /nfs/dbraw/zinc/54/34/36/552543436.db2.gz SRZNUBGEIAUXAC-SFYZADRCSA-N -1 1 354.787 2.073 20 5 FEBDMM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291311607 552613482 /nfs/dbraw/zinc/61/34/82/552613482.db2.gz RTZLMDMTKXQSJJ-LLVKDONJSA-N -1 1 360.345 2.091 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000295948059 553079550 /nfs/dbraw/zinc/07/95/50/553079550.db2.gz IJHQSDHEVJEBRP-ZETCQYMHSA-N -1 1 358.280 2.002 20 5 FEBDMM COc1cc(CN[C@@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000296900020 553227146 /nfs/dbraw/zinc/22/71/46/553227146.db2.gz QUKFQPZJBBQGCA-JTQLQIEISA-N -1 1 355.391 2.312 20 5 FEBDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000327175770 553786742 /nfs/dbraw/zinc/78/67/42/553786742.db2.gz IHSKQVFYLCYYOO-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000331926776 554347266 /nfs/dbraw/zinc/34/72/66/554347266.db2.gz JOOFRGCIRMDUTD-CYBMUJFWSA-N -1 1 350.400 2.167 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000360349355 554872118 /nfs/dbraw/zinc/87/21/18/554872118.db2.gz ZUAFXKMSFJADRE-JTQLQIEISA-N -1 1 356.791 2.327 20 5 FEBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000368504053 556329137 /nfs/dbraw/zinc/32/91/37/556329137.db2.gz SPGVURYCDSWZGU-LLVKDONJSA-N -1 1 366.696 2.013 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000520558991 562159076 /nfs/dbraw/zinc/15/90/76/562159076.db2.gz DGZLHGRIRCJFBU-UHFFFAOYSA-N -1 1 360.779 2.153 20 5 FEBDMM COc1ccccc1N1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000375718195 558072159 /nfs/dbraw/zinc/07/21/59/558072159.db2.gz JTXNPPCEOPAYOM-ZDUSSCGKSA-N -1 1 372.381 2.103 20 5 FEBDMM O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375744021 558075919 /nfs/dbraw/zinc/07/59/19/558075919.db2.gz MPNLBSVEZBWWTL-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000524540583 562230255 /nfs/dbraw/zinc/23/02/55/562230255.db2.gz REVRTPCJMGIDDA-UHFFFAOYSA-N -1 1 366.761 2.296 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000430041869 559811717 /nfs/dbraw/zinc/81/17/17/559811717.db2.gz XFXDARBLTKWFPK-VHSXEESVSA-N -1 1 361.217 2.434 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000451908976 560336553 /nfs/dbraw/zinc/33/65/53/560336553.db2.gz YZNNHPFUJXHZBN-NWDGAFQWSA-N -1 1 369.424 2.250 20 5 FEBDMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000531257800 562439938 /nfs/dbraw/zinc/43/99/38/562439938.db2.gz NTQMCCGIEQHGFX-LLVKDONJSA-N -1 1 365.415 2.374 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000531383007 562444225 /nfs/dbraw/zinc/44/42/25/562444225.db2.gz YFOWWFFASGYBKT-UHFFFAOYSA-N -1 1 364.358 2.131 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3C)c([N+](=O)[O-])n1 ZINC000532855522 562490702 /nfs/dbraw/zinc/49/07/02/562490702.db2.gz VMWYKMMOLFAEON-ZDUSSCGKSA-N -1 1 350.400 2.085 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000533174915 562500341 /nfs/dbraw/zinc/50/03/41/562500341.db2.gz PXIWCQQJSFHNSS-UHFFFAOYSA-N -1 1 364.836 2.047 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)c([N+](=O)[O-])n1 ZINC000533179518 562500605 /nfs/dbraw/zinc/50/06/05/562500605.db2.gz QHOXSFQWAZZTLJ-UHFFFAOYSA-N -1 1 358.445 2.129 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])n1 ZINC000533549196 562512721 /nfs/dbraw/zinc/51/27/21/562512721.db2.gz AYPOJGGJISFDFU-UHFFFAOYSA-N -1 1 362.371 2.002 20 5 FEBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533574530 562513601 /nfs/dbraw/zinc/51/36/01/562513601.db2.gz LTJMQWWCDIXXLQ-UHFFFAOYSA-N -1 1 361.701 2.272 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000534902732 562544993 /nfs/dbraw/zinc/54/49/93/562544993.db2.gz VDUIDQWRMNQLDN-UHFFFAOYSA-N -1 1 369.349 2.278 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(Cc2ccc(F)cc2)CC1 ZINC000536121777 562572912 /nfs/dbraw/zinc/57/29/12/562572912.db2.gz PJDVFSXAKYFEFT-UHFFFAOYSA-N -1 1 365.386 2.430 20 5 FEBDMM CN(CC1CC1)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC2CC2)c1 ZINC000821596244 599485386 /nfs/dbraw/zinc/48/53/86/599485386.db2.gz FBPUTEBNZUDZHV-UHFFFAOYSA-N -1 1 357.418 2.467 20 5 FEBDMM CN(CC1CC1)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC2CC2)c1 ZINC000821596244 599485387 /nfs/dbraw/zinc/48/53/87/599485387.db2.gz FBPUTEBNZUDZHV-UHFFFAOYSA-N -1 1 357.418 2.467 20 5 FEBDMM CCCc1[nH]nc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC000737039351 600077566 /nfs/dbraw/zinc/07/75/66/600077566.db2.gz ZIQRWYIDUZGRKP-UHFFFAOYSA-N -1 1 350.331 2.142 20 5 FEBDMM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCN(Cc2ccccc2)C1 ZINC000833128164 601736231 /nfs/dbraw/zinc/73/62/31/601736231.db2.gz ABITVKOSIPYHFY-SFHVURJKSA-N -1 1 373.365 2.037 20 5 FEBDMM CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739345514 602515183 /nfs/dbraw/zinc/51/51/83/602515183.db2.gz MPONFQQYLNOPSG-NSHDSACASA-N -1 1 361.358 2.076 20 5 FEBDMM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810558 674511442 /nfs/dbraw/zinc/51/14/42/674511442.db2.gz CWZQOBWFZXLEQJ-ZCFIWIBFSA-N -1 1 371.198 2.132 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCOC2)cc1Cl ZINC000809810788 674511517 /nfs/dbraw/zinc/51/15/17/674511517.db2.gz NKMQUJHDOVABRQ-MRVPVSSYSA-N -1 1 352.771 2.092 20 5 FEBDMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834038 674514445 /nfs/dbraw/zinc/51/44/45/674514445.db2.gz VWCXHDLQDLICRW-GHMZBOCLSA-N -1 1 369.226 2.339 20 5 FEBDMM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833185 674514491 /nfs/dbraw/zinc/51/44/91/674514491.db2.gz YIEZPSSUIPDQEE-JMCQJSRRSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832504 674514544 /nfs/dbraw/zinc/51/45/44/674514544.db2.gz QYVHEEDWDOYOGR-BQBZGAKWSA-N -1 1 357.215 2.339 20 5 FEBDMM CC(C)c1noc(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC000820211354 606645562 /nfs/dbraw/zinc/64/55/62/606645562.db2.gz JVVHKIHIPKFZHG-UHFFFAOYSA-N -1 1 358.362 2.326 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1c[nH]c2cc(F)ccc12 ZINC000823624761 606706213 /nfs/dbraw/zinc/70/62/13/606706213.db2.gz IPXAEQXQGUQVFK-UHFFFAOYSA-N -1 1 368.332 2.445 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1c[nH]c2cc(F)ccc12 ZINC000823624761 606706215 /nfs/dbraw/zinc/70/62/15/606706215.db2.gz IPXAEQXQGUQVFK-UHFFFAOYSA-N -1 1 368.332 2.445 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823619998 606710950 /nfs/dbraw/zinc/71/09/50/606710950.db2.gz FQULECBQDSMRAC-KWQFWETISA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823619998 606710952 /nfs/dbraw/zinc/71/09/52/606710952.db2.gz FQULECBQDSMRAC-KWQFWETISA-N -1 1 359.296 2.416 20 5 FEBDMM COc1ccccc1O[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821903695 606713978 /nfs/dbraw/zinc/71/39/78/606713978.db2.gz LDHBOZFYZGXRIS-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM COc1ccccc1O[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821903695 606713979 /nfs/dbraw/zinc/71/39/79/606713979.db2.gz LDHBOZFYZGXRIS-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM COc1cc(C)c(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821707884 607161436 /nfs/dbraw/zinc/16/14/36/607161436.db2.gz GNOIBVBDHRPDPJ-UHFFFAOYSA-N -1 1 357.330 2.239 20 5 FEBDMM COc1cc(C)c(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821707884 607161437 /nfs/dbraw/zinc/16/14/37/607161437.db2.gz GNOIBVBDHRPDPJ-UHFFFAOYSA-N -1 1 357.330 2.239 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(-c2cccs2)o1 ZINC000823630109 607163996 /nfs/dbraw/zinc/16/39/96/607163996.db2.gz RZPKRHNQZPRUIZ-UHFFFAOYSA-N -1 1 374.367 2.433 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(-c2cccs2)o1 ZINC000823630109 607163998 /nfs/dbraw/zinc/16/39/98/607163998.db2.gz RZPKRHNQZPRUIZ-UHFFFAOYSA-N -1 1 374.367 2.433 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1coc(-c2cccs2)n1 ZINC000823624943 607166618 /nfs/dbraw/zinc/16/66/18/607166618.db2.gz LSSGTIXBJBOMRV-UHFFFAOYSA-N -1 1 370.354 2.499 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1coc(-c2cccs2)n1 ZINC000823624943 607166619 /nfs/dbraw/zinc/16/66/19/607166619.db2.gz LSSGTIXBJBOMRV-UHFFFAOYSA-N -1 1 370.354 2.499 20 5 FEBDMM CC[C@H](C)Oc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000825075897 609172814 /nfs/dbraw/zinc/17/28/14/609172814.db2.gz SPLRTBSQMWMCKM-JTQLQIEISA-N -1 1 370.373 2.354 20 5 FEBDMM CC[C@H](C)Oc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000825075897 609172816 /nfs/dbraw/zinc/17/28/16/609172816.db2.gz SPLRTBSQMWMCKM-JTQLQIEISA-N -1 1 370.373 2.354 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000811832372 674632246 /nfs/dbraw/zinc/63/22/46/674632246.db2.gz PBYVIWSFYAYWPM-UHFFFAOYSA-N -1 1 354.241 2.277 20 5 FEBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015646 674896414 /nfs/dbraw/zinc/89/64/14/674896414.db2.gz KQNNXWKIADEXTF-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017507 674897921 /nfs/dbraw/zinc/89/79/21/674897921.db2.gz NCXCSMYFLGHMTA-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccncc1 ZINC000815025494 674900707 /nfs/dbraw/zinc/90/07/07/674900707.db2.gz VWGBBTGTLUUHNN-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044356 674906447 /nfs/dbraw/zinc/90/64/47/674906447.db2.gz BYQZONOMYWTDJG-IUCAKERBSA-N -1 1 366.798 2.338 20 5 FEBDMM CC(Nc1ccccc1[N+](=O)[O-])=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009770618 669984324 /nfs/dbraw/zinc/98/43/24/669984324.db2.gz IDKQEGBJJRGBKL-RAXLEYEMSA-N -1 1 362.411 2.180 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000055590831 670352448 /nfs/dbraw/zinc/35/24/48/670352448.db2.gz WCQTWPGWLOEVMG-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM O=C([O-])CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1F ZINC000575928937 671331772 /nfs/dbraw/zinc/33/17/72/671331772.db2.gz GHMJAYHWKNUXAS-UHFFFAOYSA-N -1 1 354.313 2.046 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000609494753 675923505 /nfs/dbraw/zinc/92/35/05/675923505.db2.gz MZZQMGNJPPTLNZ-QHCPKHFHSA-N -1 1 370.408 2.142 20 5 FEBDMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122762832 671971034 /nfs/dbraw/zinc/97/10/34/671971034.db2.gz QIARZSLJNJPVOP-CMPLNLGQSA-N -1 1 356.425 2.447 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129338641 672061155 /nfs/dbraw/zinc/06/11/55/672061155.db2.gz WKBGGIIIJIDARW-WZRBSPASSA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000130761725 672079207 /nfs/dbraw/zinc/07/92/07/672079207.db2.gz WOWMBCMTWQWNKD-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] ZINC000130761725 672079209 /nfs/dbraw/zinc/07/92/09/672079209.db2.gz WOWMBCMTWQWNKD-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000591704979 672703030 /nfs/dbraw/zinc/70/30/30/672703030.db2.gz CVXKPYNJZHTYDK-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000592381964 672794970 /nfs/dbraw/zinc/79/49/70/672794970.db2.gz BPMFRBAZJOJMKZ-OAHLLOKOSA-N -1 1 372.443 2.395 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000612174440 676072368 /nfs/dbraw/zinc/07/23/68/676072368.db2.gz LIHVJHXTUMEYCG-KBPBESRZSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000263330051 672931336 /nfs/dbraw/zinc/93/13/36/672931336.db2.gz LHVVADHPNWXESV-ZJUUUORDSA-N -1 1 355.778 2.229 20 5 FEBDMM CC[C@H](OCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000593627704 672962545 /nfs/dbraw/zinc/96/25/45/672962545.db2.gz ZPBBWUJURACFBX-AWEZNQCLSA-N -1 1 365.411 2.436 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc2N1 ZINC000593730307 672983927 /nfs/dbraw/zinc/98/39/27/672983927.db2.gz OGHFSPLHHSBBOD-CYBMUJFWSA-N -1 1 362.411 2.085 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000725818692 673092015 /nfs/dbraw/zinc/09/20/15/673092015.db2.gz UFCFWFQMGLVUGB-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000594490381 673092989 /nfs/dbraw/zinc/09/29/89/673092989.db2.gz TVGIAXJUMYILFF-JTQLQIEISA-N -1 1 364.445 2.301 20 5 FEBDMM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768324 673135695 /nfs/dbraw/zinc/13/56/95/673135695.db2.gz JYNPQVHLCLPKEJ-LLVKDONJSA-N -1 1 367.431 2.289 20 5 FEBDMM O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598768619 673610260 /nfs/dbraw/zinc/61/02/60/673610260.db2.gz OYIFICKBEILPKN-LLVKDONJSA-N -1 1 363.292 2.315 20 5 FEBDMM O=C([O-])CCCc1nnc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000739710790 673634892 /nfs/dbraw/zinc/63/48/92/673634892.db2.gz IIWUPUSSPGDPHP-UHFFFAOYSA-N -1 1 372.309 2.384 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1COC1 ZINC000599175385 673638498 /nfs/dbraw/zinc/63/84/98/673638498.db2.gz JLBPYLCUFSFQIZ-UHFFFAOYSA-N -1 1 363.395 2.454 20 5 FEBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000599209451 673641649 /nfs/dbraw/zinc/64/16/49/673641649.db2.gz SDQQXYYMIXAALJ-AWEZNQCLSA-N -1 1 368.415 2.013 20 5 FEBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000599245722 673647814 /nfs/dbraw/zinc/64/78/14/673647814.db2.gz UMLFKGWPKBNCNR-CQSZACIVSA-N -1 1 352.416 2.312 20 5 FEBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000599961836 673730518 /nfs/dbraw/zinc/73/05/18/673730518.db2.gz GMXDFWRJAVYYOD-UHFFFAOYSA-N -1 1 350.352 2.111 20 5 FEBDMM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000546063776 673790222 /nfs/dbraw/zinc/79/02/22/673790222.db2.gz OAYGXPNLGIMFPA-UHFFFAOYSA-N -1 1 356.429 2.189 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)s1 ZINC000601515855 673875243 /nfs/dbraw/zinc/87/52/43/673875243.db2.gz FUHQTLDYPSDNFX-UHFFFAOYSA-N -1 1 354.409 2.208 20 5 FEBDMM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747287254 673919610 /nfs/dbraw/zinc/91/96/10/673919610.db2.gz KEPVGZCTNSRHPQ-CYBMUJFWSA-N -1 1 368.386 2.270 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000603779057 675801301 /nfs/dbraw/zinc/80/13/01/675801301.db2.gz IEHSWCPNADDXTI-UHFFFAOYSA-N -1 1 350.352 2.475 20 5 FEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000619865461 676397902 /nfs/dbraw/zinc/39/79/02/676397902.db2.gz XXQNZGZDLWJYBM-UHFFFAOYSA-N -1 1 350.356 2.469 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000763362743 680781028 /nfs/dbraw/zinc/78/10/28/680781028.db2.gz AQPYAYJUMJZHKX-LLVKDONJSA-N -1 1 364.445 2.301 20 5 FEBDMM CCCC[C@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000840206180 680807211 /nfs/dbraw/zinc/80/72/11/680807211.db2.gz JAUCYIJQENHMAI-ZDUSSCGKSA-N -1 1 368.411 2.316 20 5 FEBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831728278 680033129 /nfs/dbraw/zinc/03/31/29/680033129.db2.gz DVZLTILVMZRCMG-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000832135438 680100005 /nfs/dbraw/zinc/10/00/05/680100005.db2.gz AUUWDXIEVRYLFV-NSHDSACASA-N -1 1 358.391 2.362 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@](C)(CC)c2ccccc2)c([N+](=O)[O-])n1 ZINC000754806394 680380459 /nfs/dbraw/zinc/38/04/59/680380459.db2.gz XRMPYCGLPDHMQG-HNNXBMFYSA-N -1 1 352.416 2.415 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000760336655 680683447 /nfs/dbraw/zinc/68/34/47/680683447.db2.gz GYXJCMQOPGSGRD-UHFFFAOYSA-N -1 1 367.295 2.002 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000841567782 680899613 /nfs/dbraw/zinc/89/96/13/680899613.db2.gz VEXWMGOOOPVYNP-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000768804625 680958845 /nfs/dbraw/zinc/95/88/45/680958845.db2.gz ZBBPPDSSTKYLQI-MRVPVSSYSA-N -1 1 356.381 2.425 20 5 FEBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cn21 ZINC000768837575 680960595 /nfs/dbraw/zinc/96/05/95/680960595.db2.gz NDURLMFWZGUBPO-UHFFFAOYSA-N -1 1 352.397 2.091 20 5 FEBDMM Cc1csc2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc(=O)n12 ZINC000769049029 680969108 /nfs/dbraw/zinc/96/91/08/680969108.db2.gz OTILEAUIKRUWLD-UHFFFAOYSA-N -1 1 361.335 2.035 20 5 FEBDMM CCc1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848590857 681585590 /nfs/dbraw/zinc/58/55/90/681585590.db2.gz WVEDDIBDPVGTAS-UHFFFAOYSA-N -1 1 358.326 2.297 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1(CO)CC1 ZINC000849434257 681732765 /nfs/dbraw/zinc/73/27/65/681732765.db2.gz VQAQOSIATIZWLH-ZETCQYMHSA-N -1 1 369.226 2.341 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000849436668 681734167 /nfs/dbraw/zinc/73/41/67/681734167.db2.gz NXMQEWRUURVONQ-CYBMUJFWSA-N -1 1 372.424 2.331 20 5 FEBDMM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849473332 681753172 /nfs/dbraw/zinc/75/31/72/681753172.db2.gz GFZPMVUBEWUSRQ-UHFFFAOYSA-N -1 1 368.390 2.213 20 5 FEBDMM CCc1ccc(CNC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000780077397 681790822 /nfs/dbraw/zinc/79/08/22/681790822.db2.gz YCUKIOQKSHXOML-UHFFFAOYSA-N -1 1 364.379 2.398 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(Cl)cc1Cl ZINC000786977535 682426446 /nfs/dbraw/zinc/42/64/46/682426446.db2.gz DODZEZHLCHSUKY-ONGXEEELSA-N -1 1 369.226 2.483 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000798248082 683327539 /nfs/dbraw/zinc/32/75/39/683327539.db2.gz OHEMCLWTBJVHJH-UHFFFAOYSA-N -1 1 371.737 2.459 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c1 ZINC000798248082 683327546 /nfs/dbraw/zinc/32/75/46/683327546.db2.gz OHEMCLWTBJVHJH-UHFFFAOYSA-N -1 1 371.737 2.459 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000921607885 683519392 /nfs/dbraw/zinc/51/93/92/683519392.db2.gz CGMXSBQKFWNECC-AXFHLTTASA-N -1 1 358.803 2.118 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCOCC1 ZINC000867882539 684417601 /nfs/dbraw/zinc/41/76/01/684417601.db2.gz YSGYLLKWNMCQMZ-NWDGAFQWSA-N -1 1 360.819 2.342 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(C2)CO[C@@H](C)C3)cc1F ZINC000907735477 691549694 /nfs/dbraw/zinc/54/96/94/691549694.db2.gz JCTADKRSFBZFJJ-NLTNOIMHSA-N -1 1 358.391 2.278 20 5 FEBDMM C[C@H](CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000124174816 543805292 /nfs/dbraw/zinc/80/52/92/543805292.db2.gz ZZGVUQCLLRXRPQ-MRVPVSSYSA-N -1 1 370.822 2.116 20 5 FEBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000129136565 544092801 /nfs/dbraw/zinc/09/28/01/544092801.db2.gz PGKQUJFDCNRBNO-SSDOTTSWSA-N -1 1 369.262 2.387 20 5 FEBDMM COc1ccc(-c2nnc([N-]C(=O)c3c([N+](=O)[O-])c(C)nn3C)s2)cc1 ZINC000136328823 544371300 /nfs/dbraw/zinc/37/13/00/544371300.db2.gz VXYXIVLOGFEHRA-UHFFFAOYSA-N -1 1 374.382 2.416 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)c1 ZINC000194739159 328437967 /nfs/dbraw/zinc/43/79/67/328437967.db2.gz AGQHTWBZDHSHBC-MRXNPFEDSA-N -1 1 359.382 2.342 20 5 FEBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000088780615 325301933 /nfs/dbraw/zinc/30/19/33/325301933.db2.gz USYOGXJBTBYAQT-UHFFFAOYSA-N -1 1 357.363 2.325 20 5 FEBDMM O=C(NCc1ccnc(N2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120219204 326241389 /nfs/dbraw/zinc/24/13/89/326241389.db2.gz KMEJZYBUDMQVAV-UHFFFAOYSA-N -1 1 357.370 2.011 20 5 FEBDMM NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1CCCCC1 ZINC000264887838 329071335 /nfs/dbraw/zinc/07/13/35/329071335.db2.gz DQIGZHKAMHZMNI-UHFFFAOYSA-N -1 1 357.370 2.264 20 5 FEBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000272441805 329781484 /nfs/dbraw/zinc/78/14/84/329781484.db2.gz RCUTVMLBCKZMGC-GFCCVEGCSA-N -1 1 358.347 2.383 20 5 FEBDMM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000159996151 545997885 /nfs/dbraw/zinc/99/78/85/545997885.db2.gz DWOVBIWXSCZWFI-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178091154 546738090 /nfs/dbraw/zinc/73/80/90/546738090.db2.gz UKOBMZRHRZRSSE-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000181086176 547247483 /nfs/dbraw/zinc/24/74/83/547247483.db2.gz XOJMAFHRRFIIEU-UHFFFAOYSA-N -1 1 359.360 2.419 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000181090821 547248895 /nfs/dbraw/zinc/24/88/95/547248895.db2.gz UJHIVAZRABMSIE-UHFFFAOYSA-N -1 1 367.358 2.287 20 5 FEBDMM COc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000484195582 561293394 /nfs/dbraw/zinc/29/33/94/561293394.db2.gz WRAXJCTYJOMOMO-UHFFFAOYSA-N -1 1 354.322 2.182 20 5 FEBDMM COCc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000484648840 561302283 /nfs/dbraw/zinc/30/22/83/561302283.db2.gz YVQROUCVWLUWDY-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485990533 561334417 /nfs/dbraw/zinc/33/44/17/561334417.db2.gz NZGNIZHANISVKI-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486567948 561351057 /nfs/dbraw/zinc/35/10/57/561351057.db2.gz YFGLRSBQOBQBDX-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278026702 550740655 /nfs/dbraw/zinc/74/06/55/550740655.db2.gz AVEDPVVNLYSHBC-UHFFFAOYSA-N -1 1 372.381 2.413 20 5 FEBDMM O=C([N-]CC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1)C(F)(F)F ZINC000281795731 551144587 /nfs/dbraw/zinc/14/45/87/551144587.db2.gz IFEFNMGLSZPITP-UHFFFAOYSA-N -1 1 372.347 2.458 20 5 FEBDMM O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281875698 551151764 /nfs/dbraw/zinc/15/17/64/551151764.db2.gz ZTYIJQIEXSOXFR-UHFFFAOYSA-N -1 1 373.331 2.054 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000287835991 552052795 /nfs/dbraw/zinc/05/27/95/552052795.db2.gz KZANBIBKLBAKEW-OWCLPIDISA-N -1 1 369.377 2.340 20 5 FEBDMM CC[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289229802 552285733 /nfs/dbraw/zinc/28/57/33/552285733.db2.gz VCUQMJMRFXPRHY-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000500564377 561577036 /nfs/dbraw/zinc/57/70/36/561577036.db2.gz BBLBNIWYKBYPNJ-UHFFFAOYSA-N -1 1 367.390 2.162 20 5 FEBDMM CS(=O)(=O)c1nnc(NC(=O)c2cc3ccccc3c3cccnc23)[n-]1 ZINC000500564377 561577037 /nfs/dbraw/zinc/57/70/37/561577037.db2.gz BBLBNIWYKBYPNJ-UHFFFAOYSA-N -1 1 367.390 2.162 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000295206945 552970035 /nfs/dbraw/zinc/97/00/35/552970035.db2.gz UBDHMZSMSMQNKK-LLVKDONJSA-N -1 1 355.199 2.359 20 5 FEBDMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295468673 553011940 /nfs/dbraw/zinc/01/19/40/553011940.db2.gz SPVILEFJBFVJHB-SNVBAGLBSA-N -1 1 368.390 2.119 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000327559755 553790108 /nfs/dbraw/zinc/79/01/08/553790108.db2.gz YNNGYGAMWNCYMY-AWEZNQCLSA-N -1 1 372.443 2.381 20 5 FEBDMM COc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc([N+](=O)[O-])c1C ZINC000507889345 561744584 /nfs/dbraw/zinc/74/45/84/561744584.db2.gz DKLZKXVYBCCCNQ-JTQLQIEISA-N -1 1 362.342 2.020 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000372301860 557434294 /nfs/dbraw/zinc/43/42/94/557434294.db2.gz PGXSPTFDVABTCE-GOSISDBHSA-N -1 1 355.350 2.357 20 5 FEBDMM Cc1ccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000373415880 557689568 /nfs/dbraw/zinc/68/95/68/557689568.db2.gz DZDLRIDYESEZFM-UHFFFAOYSA-N -1 1 371.393 2.214 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000375580854 558052167 /nfs/dbraw/zinc/05/21/67/558052167.db2.gz FPTQTIBQGHGHRH-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000521562515 562178701 /nfs/dbraw/zinc/17/87/01/562178701.db2.gz VPAOSUIHBZWYBF-QMMMGPOBSA-N -1 1 364.326 2.470 20 5 FEBDMM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396434957 558623253 /nfs/dbraw/zinc/62/32/53/558623253.db2.gz YNSDIAAVXDADBA-ZDUSSCGKSA-N -1 1 356.382 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000407990618 558636240 /nfs/dbraw/zinc/63/62/40/558636240.db2.gz NUVVUKISXBZOGK-FRRDWIJNSA-N -1 1 356.448 2.448 20 5 FEBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525186362 562242302 /nfs/dbraw/zinc/24/23/02/562242302.db2.gz MVJCCFUFDXMGKA-LLVKDONJSA-N -1 1 351.384 2.428 20 5 FEBDMM O=C([O-])c1coc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000527199635 562280005 /nfs/dbraw/zinc/28/00/05/562280005.db2.gz OEKBQNIXIAWFAY-UHFFFAOYSA-N -1 1 360.731 2.018 20 5 FEBDMM CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000423751473 559638248 /nfs/dbraw/zinc/63/82/48/559638248.db2.gz YSXUSRYOWGSAMH-XHDPSFHLSA-N -1 1 357.794 2.425 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000428416888 559775188 /nfs/dbraw/zinc/77/51/88/559775188.db2.gz BMWYGPKPFHISTK-JTQLQIEISA-N -1 1 368.798 2.400 20 5 FEBDMM C[C@H]1CCc2onc(C(=O)N=c3nc(-c4cccc([N+](=O)[O-])c4)[nH][n-]3)c2C1 ZINC000434515068 559901818 /nfs/dbraw/zinc/90/18/18/559901818.db2.gz VWXCDXXKLZKMPM-VIFPVBQESA-N -1 1 368.353 2.745 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000435803533 559930316 /nfs/dbraw/zinc/93/03/16/559930316.db2.gz HBVHAAANGVWESJ-QMMMGPOBSA-N -1 1 360.342 2.129 20 5 FEBDMM COC(=O)c1ccc([O-])c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000436506698 559943679 /nfs/dbraw/zinc/94/36/79/559943679.db2.gz UHGXXODIPWRUJW-UHFFFAOYSA-N -1 1 360.322 2.495 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccnc3)C2)s1 ZINC000451908975 560336475 /nfs/dbraw/zinc/33/64/75/560336475.db2.gz YZNNHPFUJXHZBN-NEPJUHHUSA-N -1 1 369.424 2.250 20 5 FEBDMM CCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000462421866 560809416 /nfs/dbraw/zinc/80/94/16/560809416.db2.gz ZRKZGQQXNUMKQK-QMMMGPOBSA-N -1 1 371.198 2.433 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000467750694 560916514 /nfs/dbraw/zinc/91/65/14/560916514.db2.gz AZJNJVIZWUDQHD-UHFFFAOYSA-N -1 1 366.351 2.362 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC000468816153 560939469 /nfs/dbraw/zinc/93/94/69/560939469.db2.gz DJGKNXDBGVCRBG-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)ccc1[N+](=O)[O-] ZINC000469045073 560945768 /nfs/dbraw/zinc/94/57/68/560945768.db2.gz SLTRZCJCAKUFJD-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000474181452 561067708 /nfs/dbraw/zinc/06/77/08/561067708.db2.gz HTELSAWNIWRQLD-GFCCVEGCSA-N -1 1 370.383 2.171 20 5 FEBDMM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c21 ZINC000530905702 562427996 /nfs/dbraw/zinc/42/79/96/562427996.db2.gz GSKJPGRTVJKVNA-UHFFFAOYSA-N -1 1 360.395 2.301 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(C(C)C)cc2)c([N+](=O)[O-])n1 ZINC000532853360 562490553 /nfs/dbraw/zinc/49/05/53/562490553.db2.gz VNKIODKWKRJMOK-UHFFFAOYSA-N -1 1 366.443 2.456 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)c([N+](=O)[O-])n1 ZINC000532855123 562490799 /nfs/dbraw/zinc/49/07/99/562490799.db2.gz PIORKEWQQMPDHP-LBPRGKRZSA-N -1 1 352.416 2.468 20 5 FEBDMM CCCOc1cccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000532907391 562492283 /nfs/dbraw/zinc/49/22/83/562492283.db2.gz MELPLXHLRXJZCX-UHFFFAOYSA-N -1 1 365.411 2.300 20 5 FEBDMM O=C([O-])c1cc(NC(=O)c2nnc3ccccc3c2O)cc([N+](=O)[O-])c1 ZINC000740089473 600190412 /nfs/dbraw/zinc/19/04/12/600190412.db2.gz YNBPLGAIAVUCBE-UHFFFAOYSA-N -1 1 354.278 2.194 20 5 FEBDMM CC[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828692998 600730706 /nfs/dbraw/zinc/73/07/06/600730706.db2.gz PRJSDNYAEUBSLT-NSHDSACASA-N -1 1 371.198 2.433 20 5 FEBDMM COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739933938 602653173 /nfs/dbraw/zinc/65/31/73/602653173.db2.gz WBGCJQNAYDPQAB-UHFFFAOYSA-N -1 1 367.339 2.494 20 5 FEBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1(C)C ZINC000809825526 674513348 /nfs/dbraw/zinc/51/33/48/674513348.db2.gz PYNNCTYZMUEXIE-NWDGAFQWSA-N -1 1 366.798 2.479 20 5 FEBDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830032 674513921 /nfs/dbraw/zinc/51/39/21/674513921.db2.gz QHXCBWPOQMXXJS-UFBFGSQYSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000834177445 605326109 /nfs/dbraw/zinc/32/61/09/605326109.db2.gz BNAQSIFHWBJTIQ-AEGPPILISA-N -1 1 359.386 2.270 20 5 FEBDMM O=C([O-])N1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000831810268 605875218 /nfs/dbraw/zinc/87/52/18/605875218.db2.gz LGRKJTMCAOOWPZ-UHFFFAOYSA-N -1 1 364.339 2.045 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634834 606644473 /nfs/dbraw/zinc/64/44/73/606644473.db2.gz MYZIFEMHSLTMAK-UHFFFAOYSA-N -1 1 351.370 2.102 20 5 FEBDMM COc1ccc(OC)c(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821842057 606644779 /nfs/dbraw/zinc/64/47/79/606644779.db2.gz NIHAGXWWKCSNEL-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000823647614 606645527 /nfs/dbraw/zinc/64/55/27/606645527.db2.gz NFTNWWOYVBUHQE-UHFFFAOYSA-N -1 1 370.329 2.207 20 5 FEBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820456541 606645617 /nfs/dbraw/zinc/64/56/17/606645617.db2.gz VFBDNPKOEDDLRW-JTQLQIEISA-N -1 1 353.342 2.214 20 5 FEBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362270 606713314 /nfs/dbraw/zinc/71/33/14/606713314.db2.gz ZEMDCPYTUDYOMQ-NEPJUHHUSA-N -1 1 359.390 2.320 20 5 FEBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362270 606713315 /nfs/dbraw/zinc/71/33/15/606713315.db2.gz ZEMDCPYTUDYOMQ-NEPJUHHUSA-N -1 1 359.390 2.320 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823621214 606720504 /nfs/dbraw/zinc/72/05/04/606720504.db2.gz ZKVOJCZMSBOWDL-NSHDSACASA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823621214 606720506 /nfs/dbraw/zinc/72/05/06/606720506.db2.gz ZKVOJCZMSBOWDL-NSHDSACASA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000823620761 607166517 /nfs/dbraw/zinc/16/65/17/607166517.db2.gz PREHUEIAEKCYIT-UHFFFAOYSA-N -1 1 362.353 2.214 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000823620761 607166518 /nfs/dbraw/zinc/16/65/18/607166518.db2.gz PREHUEIAEKCYIT-UHFFFAOYSA-N -1 1 362.353 2.214 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c3ccccc3[nH]c2C1 ZINC000826497722 607969064 /nfs/dbraw/zinc/96/90/64/607969064.db2.gz ROQQRRKGMSJUIM-UHFFFAOYSA-N -1 1 362.353 2.214 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c3ccccc3[nH]c2C1 ZINC000826497722 607969065 /nfs/dbraw/zinc/96/90/65/607969065.db2.gz ROQQRRKGMSJUIM-UHFFFAOYSA-N -1 1 362.353 2.214 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cscn1 ZINC000815007887 674894661 /nfs/dbraw/zinc/89/46/61/674894661.db2.gz ZUZCETOUNKQVJL-UHFFFAOYSA-N -1 1 351.768 2.322 20 5 FEBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815030493 674902860 /nfs/dbraw/zinc/90/28/60/674902860.db2.gz AAOZTDDJTVNOTJ-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000815032779 674903308 /nfs/dbraw/zinc/90/33/08/674903308.db2.gz YEGZZLIFKPIULO-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039352 674905431 /nfs/dbraw/zinc/90/54/31/674905431.db2.gz VFMUOMDIHLDBOT-XVKPBYJWSA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045002 674906402 /nfs/dbraw/zinc/90/64/02/674906402.db2.gz LHCIHJMNLNRBGZ-RCOVLWMOSA-N -1 1 354.812 2.417 20 5 FEBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815095716 674917234 /nfs/dbraw/zinc/91/72/34/674917234.db2.gz XZPKBJSPIGOIOA-ISVAXAHUSA-N -1 1 366.798 2.217 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000609494670 675923495 /nfs/dbraw/zinc/92/34/95/675923495.db2.gz HEPVRAMQDWHPNI-QFIPXVFZSA-N -1 1 354.409 2.441 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCC2 ZINC000610269603 675963861 /nfs/dbraw/zinc/96/38/61/675963861.db2.gz VLWPGZKJOWDCSL-STQMWFEESA-N -1 1 355.416 2.006 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124823570 672002675 /nfs/dbraw/zinc/00/26/75/672002675.db2.gz ZFTBVYCAOVGLIS-KGLIPLIRSA-N -1 1 362.835 2.468 20 5 FEBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132306815 672096858 /nfs/dbraw/zinc/09/68/58/672096858.db2.gz CUUJYIFUSWZDNZ-UHFFFAOYSA-N -1 1 367.358 2.203 20 5 FEBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000584085693 672154207 /nfs/dbraw/zinc/15/42/07/672154207.db2.gz UQVCJRKWEXMERS-LBPRGKRZSA-N -1 1 351.746 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2([C@H](O)c3ccccc3)CC2)s1 ZINC000159259562 672279454 /nfs/dbraw/zinc/27/94/54/672279454.db2.gz WOTCGHYOFLGDKJ-CQSZACIVSA-N -1 1 368.436 2.448 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1cccc(F)c1 ZINC000160057151 672288474 /nfs/dbraw/zinc/28/84/74/672288474.db2.gz PKNTVYZMUNPHIM-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000173388124 672350508 /nfs/dbraw/zinc/35/05/08/672350508.db2.gz ABMHETNTYVBCHC-CHWSQXEVSA-N -1 1 358.391 2.360 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-] ZINC000175775073 672370640 /nfs/dbraw/zinc/37/06/40/672370640.db2.gz TYVPFENJRMOTBB-UHFFFAOYSA-N -1 1 371.321 2.081 20 5 FEBDMM COC(=O)c1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)on1 ZINC000586836008 672437555 /nfs/dbraw/zinc/43/75/55/672437555.db2.gz FBZOTQOLUQSFSQ-UHFFFAOYSA-N -1 1 370.115 2.384 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000592350305 672789896 /nfs/dbraw/zinc/78/98/96/672789896.db2.gz JREQXQYKSCPYGW-HNNXBMFYSA-N -1 1 358.416 2.087 20 5 FEBDMM C[C@@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000702639001 673058343 /nfs/dbraw/zinc/05/83/43/673058343.db2.gz JMFGSCHKRMTCTP-SSDOTTSWSA-N -1 1 355.185 2.384 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000594724881 673123973 /nfs/dbraw/zinc/12/39/73/673123973.db2.gz ZXQRDZKCARCEJW-JSGCOSHPSA-N -1 1 358.416 2.005 20 5 FEBDMM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762110 673133509 /nfs/dbraw/zinc/13/35/09/673133509.db2.gz ZDNQKVUSHRMALE-UHFFFAOYSA-N -1 1 351.384 2.175 20 5 FEBDMM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000537184152 673383601 /nfs/dbraw/zinc/38/36/01/673383601.db2.gz BQHXVBZVFCKTPY-NOZJJQNGSA-N -1 1 362.429 2.057 20 5 FEBDMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000537184153 673383658 /nfs/dbraw/zinc/38/36/58/673383658.db2.gz BQHXVBZVFCKTPY-RNCFNFMXSA-N -1 1 362.429 2.057 20 5 FEBDMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000537593071 673396244 /nfs/dbraw/zinc/39/62/44/673396244.db2.gz PVXVFWJQLUMCHW-OLZOCXBDSA-N -1 1 357.432 2.252 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[O-] ZINC000537652713 673399569 /nfs/dbraw/zinc/39/95/69/673399569.db2.gz TVBGCYOBCZQGLV-UHFFFAOYSA-N -1 1 365.367 2.368 20 5 FEBDMM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000543165508 673628941 /nfs/dbraw/zinc/62/89/41/673628941.db2.gz ARIZSORJYUJTCS-SNVBAGLBSA-N -1 1 360.413 2.175 20 5 FEBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000566367539 675208634 /nfs/dbraw/zinc/20/86/34/675208634.db2.gz FRKWFHMLPYXJCX-WPRPVWTQSA-N -1 1 360.313 2.500 20 5 FEBDMM Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000827225231 675741552 /nfs/dbraw/zinc/74/15/52/675741552.db2.gz WRESUZKBNYLPSH-VIFPVBQESA-N -1 1 350.766 2.090 20 5 FEBDMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828075731 675796420 /nfs/dbraw/zinc/79/64/20/675796420.db2.gz ISVGDZWKIKZSRJ-ONGXEEELSA-N -1 1 350.824 2.324 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868262 676397883 /nfs/dbraw/zinc/39/78/83/676397883.db2.gz GSXQQAUDMBABDR-JTQLQIEISA-N -1 1 366.761 2.286 20 5 FEBDMM O=C(Cc1sc(N2CCC2)nc1[O-])Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840701785 680838939 /nfs/dbraw/zinc/83/89/39/680838939.db2.gz NUCBAQBDONHPKC-NSHDSACASA-N -1 1 368.802 2.281 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c1Cl ZINC000830944664 679898284 /nfs/dbraw/zinc/89/82/84/679898284.db2.gz OELPVKRABCVBDC-MRVPVSSYSA-N -1 1 369.226 2.341 20 5 FEBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000751445778 680176591 /nfs/dbraw/zinc/17/65/91/680176591.db2.gz IUPMLXGSLQFGBF-NSHDSACASA-N -1 1 360.775 2.162 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1cccc(F)c1 ZINC000751486354 680182177 /nfs/dbraw/zinc/18/21/77/680182177.db2.gz JXLJAOUARVSHFF-OQPBUACISA-N -1 1 360.388 2.196 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841561991 680898233 /nfs/dbraw/zinc/89/82/33/680898233.db2.gz SGMNHAGEQBYMLA-GXFFZTMASA-N -1 1 350.824 2.322 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000841567705 680899663 /nfs/dbraw/zinc/89/96/63/680899663.db2.gz UGJIKTMTYRPRKY-UHFFFAOYSA-N -1 1 374.831 2.456 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000768809788 680959185 /nfs/dbraw/zinc/95/91/85/680959185.db2.gz AVZFDQGLPDQLMX-UHFFFAOYSA-N -1 1 373.368 2.052 20 5 FEBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cn2c1 ZINC000768816171 680959374 /nfs/dbraw/zinc/95/93/74/680959374.db2.gz ZBWWPQGRLOZNAA-UHFFFAOYSA-N -1 1 352.397 2.091 20 5 FEBDMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000769046700 680968884 /nfs/dbraw/zinc/96/88/84/680968884.db2.gz KPDYGAPLHJOSGE-ZETOZRRWSA-N -1 1 350.371 2.398 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000769631471 680989478 /nfs/dbraw/zinc/98/94/78/680989478.db2.gz UXGNYBPQBYBUCP-UHFFFAOYSA-N -1 1 373.774 2.394 20 5 FEBDMM C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776586758 681411682 /nfs/dbraw/zinc/41/16/82/681411682.db2.gz GOULGDBCRWSNKZ-ZCFIWIBFSA-N -1 1 371.198 2.291 20 5 FEBDMM COCc1nc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)cs1 ZINC000848589468 681584978 /nfs/dbraw/zinc/58/49/78/681584978.db2.gz KYPLFYUDZUHKAN-UHFFFAOYSA-N -1 1 373.337 2.486 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000918190835 685537830 /nfs/dbraw/zinc/53/78/30/685537830.db2.gz OTIAAXMERSXCHZ-UHFFFAOYSA-N -1 1 358.322 2.230 20 5 FEBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000788087744 682502676 /nfs/dbraw/zinc/50/26/76/682502676.db2.gz SIUYDAXMVVXXCG-UHFFFAOYSA-N -1 1 350.824 2.468 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2nccs2)cc1Cl ZINC000798226235 683324737 /nfs/dbraw/zinc/32/47/37/683324737.db2.gz DKXFHFYMAPGJAX-UHFFFAOYSA-N -1 1 365.795 2.365 20 5 FEBDMM CC(C)(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000818430882 675218990 /nfs/dbraw/zinc/21/89/90/675218990.db2.gz NNUGNPQOJLPNFM-UHFFFAOYSA-N -1 1 368.770 2.167 20 5 FEBDMM CC(C)(C)OC(=O)N1CC(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000800185935 674030697 /nfs/dbraw/zinc/03/06/97/674030697.db2.gz QCIHAAQZZINNPM-UHFFFAOYSA-N -1 1 352.343 2.324 20 5 FEBDMM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2C1 ZINC000025639055 539764182 /nfs/dbraw/zinc/76/41/82/539764182.db2.gz AQWZRZLRDZORFW-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000026232389 539781349 /nfs/dbraw/zinc/78/13/49/539781349.db2.gz GTZUWYUKSJFBRI-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000055686718 540670998 /nfs/dbraw/zinc/67/09/98/540670998.db2.gz UFZVNLCVEQRWHR-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000074969409 542142219 /nfs/dbraw/zinc/14/22/19/542142219.db2.gz OSGONBZLGUPFLV-NSHDSACASA-N -1 1 360.388 2.461 20 5 FEBDMM CC(C)(C)c1csc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000104928466 543151302 /nfs/dbraw/zinc/15/13/02/543151302.db2.gz VKAUKCYYFXZSHF-UHFFFAOYSA-N -1 1 350.400 2.422 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000146395838 544439821 /nfs/dbraw/zinc/43/98/21/544439821.db2.gz AHEZZEICVDQXFY-UHFFFAOYSA-N -1 1 370.770 2.455 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000146700707 544441710 /nfs/dbraw/zinc/44/17/10/544441710.db2.gz OSBVVZSFKNQBHO-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O ZINC000151939870 544598274 /nfs/dbraw/zinc/59/82/74/544598274.db2.gz NICBYLYSUUTNGW-UONOGXRCSA-N -1 1 368.798 2.185 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000185887243 327937467 /nfs/dbraw/zinc/93/74/67/327937467.db2.gz KRWYVEWEOPIFAR-SFHVURJKSA-N -1 1 355.350 2.010 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000187152558 328005169 /nfs/dbraw/zinc/00/51/69/328005169.db2.gz YURQXKDYIPWPKM-QMMMGPOBSA-N -1 1 373.300 2.376 20 5 FEBDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000188528395 328092851 /nfs/dbraw/zinc/09/28/51/328092851.db2.gz LSMWCRSYDUAMDG-YUMQZZPRSA-N -1 1 367.221 2.059 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000189786579 328168006 /nfs/dbraw/zinc/16/80/06/328168006.db2.gz FFIJETCJOMNICP-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM CCc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)cc1 ZINC000191781155 328281338 /nfs/dbraw/zinc/28/13/38/328281338.db2.gz QIPNVFHICUILHE-MRXNPFEDSA-N -1 1 357.366 2.472 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000191903352 328287957 /nfs/dbraw/zinc/28/79/57/328287957.db2.gz QXSBMHCYCHJICF-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000193864190 328399530 /nfs/dbraw/zinc/39/95/30/328399530.db2.gz QLSAFKLBZTYCLU-UHFFFAOYSA-N -1 1 352.372 2.034 20 5 FEBDMM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194008571 328406525 /nfs/dbraw/zinc/40/65/25/328406525.db2.gz KIVVSGBPQLRMAY-CQSZACIVSA-N -1 1 356.382 2.436 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000116467438 326017321 /nfs/dbraw/zinc/01/73/21/326017321.db2.gz NBEVTUIZCGNJPZ-BBRMVZONSA-N -1 1 370.409 2.336 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124831739 326460861 /nfs/dbraw/zinc/46/08/61/326460861.db2.gz VIASJRXFLFGTKB-TZMCWYRMSA-N -1 1 362.835 2.468 20 5 FEBDMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000160514499 326968080 /nfs/dbraw/zinc/96/80/80/326968080.db2.gz SBXWKLWMEFWPRX-UHFFFAOYSA-N -1 1 353.338 2.358 20 5 FEBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000173350898 327251385 /nfs/dbraw/zinc/25/13/85/327251385.db2.gz WWRTVWLCEOUSQC-CQSZACIVSA-N -1 1 354.384 2.416 20 5 FEBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000173525651 327263759 /nfs/dbraw/zinc/26/37/59/327263759.db2.gz KVOPWCOXMZPINE-BONVTDFDSA-N -1 1 361.329 2.437 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000173543896 327265440 /nfs/dbraw/zinc/26/54/40/327265440.db2.gz XAFLOZATASWXBC-CHWSQXEVSA-N -1 1 368.390 2.393 20 5 FEBDMM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178562511 327592273 /nfs/dbraw/zinc/59/22/73/327592273.db2.gz RKZOADDLTOAHSK-LLVKDONJSA-N -1 1 350.824 2.324 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000266995273 329280990 /nfs/dbraw/zinc/28/09/90/329280990.db2.gz DEXOJGLBUACTRS-LBPRGKRZSA-N -1 1 370.383 2.171 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000268155969 329391344 /nfs/dbraw/zinc/39/13/44/329391344.db2.gz GDAFEBBQOKWWBZ-UHFFFAOYSA-N -1 1 356.429 2.222 20 5 FEBDMM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000477309539 561141804 /nfs/dbraw/zinc/14/18/04/561141804.db2.gz PSDQQIHCGFMUMH-NSHDSACASA-N -1 1 360.345 2.233 20 5 FEBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000484568465 561300321 /nfs/dbraw/zinc/30/03/21/561300321.db2.gz AGXNLSUIYUDDKB-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000484568465 561300322 /nfs/dbraw/zinc/30/03/22/561300322.db2.gz AGXNLSUIYUDDKB-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCn1cccc1 ZINC000487088041 561363334 /nfs/dbraw/zinc/36/33/34/561363334.db2.gz PZTDOVCCGNDGRM-UHFFFAOYSA-N -1 1 374.216 2.137 20 5 FEBDMM COc1ccc(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000277671113 550699592 /nfs/dbraw/zinc/69/95/92/550699592.db2.gz DOOXCYJWENJVCM-UHFFFAOYSA-N -1 1 361.354 2.075 20 5 FEBDMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278178726 550757711 /nfs/dbraw/zinc/75/77/11/550757711.db2.gz ZNYLRRDSFJOFEP-HIFRSBDPSA-N -1 1 361.329 2.485 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000289567736 552341923 /nfs/dbraw/zinc/34/19/23/552341923.db2.gz PJAVNYQBAJCDFB-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM C[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nn[n-]n1 ZINC000291678194 552650361 /nfs/dbraw/zinc/65/03/61/552650361.db2.gz MQLWTUCBWNKYES-ZCFIWIBFSA-N -1 1 359.173 2.290 20 5 FEBDMM Cn1c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2nc1C1CC1 ZINC000293567250 552836119 /nfs/dbraw/zinc/83/61/19/552836119.db2.gz IPLXGKXWASLBGP-UHFFFAOYSA-N -1 1 367.365 2.390 20 5 FEBDMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000296206837 553122214 /nfs/dbraw/zinc/12/22/14/553122214.db2.gz NCKJRNMSJMMUAB-QMMMGPOBSA-N -1 1 374.312 2.370 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000298050156 553377266 /nfs/dbraw/zinc/37/72/66/553377266.db2.gz GTFCTUSPKRUTJP-WCQYABFASA-N -1 1 363.395 2.485 20 5 FEBDMM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000319527381 553763533 /nfs/dbraw/zinc/76/35/33/553763533.db2.gz BQDWRRMFAIJUMV-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000324252936 553772123 /nfs/dbraw/zinc/77/21/23/553772123.db2.gz UDVAHKVHRMBMGF-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506333586 561695698 /nfs/dbraw/zinc/69/56/98/561695698.db2.gz SEFLATYGSBEMEV-UHFFFAOYSA-N -1 1 356.363 2.417 20 5 FEBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330450665 554123605 /nfs/dbraw/zinc/12/36/05/554123605.db2.gz JDQPYUMVTXXOME-QWRGUYRKSA-N -1 1 362.477 2.154 20 5 FEBDMM COC(=O)c1sccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508256917 561756657 /nfs/dbraw/zinc/75/66/57/561756657.db2.gz YXEWTJDHJFLWSF-UHFFFAOYSA-N -1 1 372.380 2.258 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)s1 ZINC000365828821 555677137 /nfs/dbraw/zinc/67/71/37/555677137.db2.gz IPIRMQZUUIDSOP-UHFFFAOYSA-N -1 1 369.359 2.381 20 5 FEBDMM Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515852233 562023905 /nfs/dbraw/zinc/02/39/05/562023905.db2.gz SWFJTEBJLDTDPI-AWEZNQCLSA-N -1 1 351.403 2.370 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]c1-c1ccncc1 ZINC000371127680 557082733 /nfs/dbraw/zinc/08/27/33/557082733.db2.gz OKBMVALYKZUAQO-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373885749 557780192 /nfs/dbraw/zinc/78/01/92/557780192.db2.gz NGNRKMJHSHNTCU-CQSZACIVSA-N -1 1 370.409 2.432 20 5 FEBDMM CN1Cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000374249582 557850315 /nfs/dbraw/zinc/85/03/15/557850315.db2.gz OOGQZDDFYIUJRP-UHFFFAOYSA-N -1 1 362.367 2.373 20 5 FEBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C)cc1OC ZINC000521726824 562182767 /nfs/dbraw/zinc/18/27/67/562182767.db2.gz NFQHXUXBHCXDEB-UHFFFAOYSA-N -1 1 365.342 2.486 20 5 FEBDMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525835945 562256636 /nfs/dbraw/zinc/25/66/36/562256636.db2.gz SYHQGCTWUBDUQA-UHFFFAOYSA-N -1 1 365.411 2.298 20 5 FEBDMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000416516965 559319354 /nfs/dbraw/zinc/31/93/54/559319354.db2.gz QPLFLPQECFGZJY-CYBMUJFWSA-N -1 1 370.452 2.155 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])n1 ZINC000416553703 559321404 /nfs/dbraw/zinc/32/14/04/559321404.db2.gz XTFRIBBUBMSODM-LLVKDONJSA-N -1 1 368.415 2.168 20 5 FEBDMM C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)(C)C ZINC000425039174 559684736 /nfs/dbraw/zinc/68/47/36/559684736.db2.gz MNOMZQQGVXKYNF-ZWNOBZJWSA-N -1 1 365.386 2.278 20 5 FEBDMM O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320844 559696545 /nfs/dbraw/zinc/69/65/45/559696545.db2.gz LPUBTEDTQUYNKW-UHFFFAOYSA-N -1 1 357.326 2.185 20 5 FEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCCC(N)=O)n1 ZINC000427442520 559755661 /nfs/dbraw/zinc/75/56/61/559755661.db2.gz GXWHELURABBWAX-UHFFFAOYSA-N -1 1 363.399 2.031 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000432203420 559854175 /nfs/dbraw/zinc/85/41/75/559854175.db2.gz NMRZTSSDBHKCMP-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM COc1cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)c([N+](=O)[O-])cc1OC ZINC000439016452 559987301 /nfs/dbraw/zinc/98/73/01/559987301.db2.gz YNMWVNVZPXEKFB-UHFFFAOYSA-N -1 1 370.325 2.044 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443260954 560076568 /nfs/dbraw/zinc/07/65/68/560076568.db2.gz FKZVTKMHMXUVLX-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443269210 560076926 /nfs/dbraw/zinc/07/69/26/560076926.db2.gz CESILOYCQJTHAM-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM CC(C)Oc1ccc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)nc1 ZINC000444822157 560121752 /nfs/dbraw/zinc/12/17/52/560121752.db2.gz HCRGJWKBVLZUAO-UHFFFAOYSA-N -1 1 368.353 2.814 20 5 FEBDMM CO[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445001071 560126424 /nfs/dbraw/zinc/12/64/24/560126424.db2.gz RPKMDPUNWFAXCB-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)s1 ZINC000451958622 560340618 /nfs/dbraw/zinc/34/06/18/560340618.db2.gz HSUCFCCTLPPHMK-ZYHUDNBSSA-N -1 1 369.424 2.250 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000469201982 560949672 /nfs/dbraw/zinc/94/96/72/560949672.db2.gz UBXVKBXKNZZPMR-SSDOTTSWSA-N -1 1 370.305 2.001 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000531002848 562431595 /nfs/dbraw/zinc/43/15/95/562431595.db2.gz LMRSDBFCUOWOKI-GFCCVEGCSA-N -1 1 369.374 2.265 20 5 FEBDMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535531616 562560626 /nfs/dbraw/zinc/56/06/26/562560626.db2.gz ARWCDTMIAXPMIG-SECBINFHSA-N -1 1 364.807 2.116 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000556356827 674398565 /nfs/dbraw/zinc/39/85/65/674398565.db2.gz VMODZORSYADUKA-UHFFFAOYSA-N -1 1 356.791 2.134 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000569066324 568289954 /nfs/dbraw/zinc/28/99/54/568289954.db2.gz KPISFEQFXAOGHS-UHFFFAOYSA-N -1 1 365.264 2.025 20 5 FEBDMM CC(C)c1noc(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC000824371445 607451190 /nfs/dbraw/zinc/45/11/90/607451190.db2.gz GICPYKBZEIGCJO-UHFFFAOYSA-N -1 1 358.362 2.326 20 5 FEBDMM CC(C)c1noc(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC000824371445 607451192 /nfs/dbraw/zinc/45/11/92/607451192.db2.gz GICPYKBZEIGCJO-UHFFFAOYSA-N -1 1 358.362 2.326 20 5 FEBDMM O=C([O-])CCc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000739777854 600632657 /nfs/dbraw/zinc/63/26/57/600632657.db2.gz RHZLLQGAGZBIKP-UHFFFAOYSA-N -1 1 356.747 2.369 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832957364 601588983 /nfs/dbraw/zinc/58/89/83/601588983.db2.gz BCTQAPFBTNHVFE-GFCCVEGCSA-N -1 1 364.402 2.224 20 5 FEBDMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819987 674512741 /nfs/dbraw/zinc/51/27/41/674512741.db2.gz JNCCKALNKBSISP-LBPRGKRZSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)cc1Cl ZINC000809810789 674511470 /nfs/dbraw/zinc/51/14/70/674511470.db2.gz NKMQUJHDOVABRQ-QMMMGPOBSA-N -1 1 352.771 2.092 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(O)CCCCC2)cc1Cl ZINC000809818579 674512071 /nfs/dbraw/zinc/51/20/71/674512071.db2.gz FXOSPDREGCHWPQ-UHFFFAOYSA-N -1 1 366.798 2.361 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(CO)CCC2)c(Cl)cc1Cl ZINC000809832169 674514318 /nfs/dbraw/zinc/51/43/18/674514318.db2.gz MDZHADARSINVIU-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(CCO)CC2)c(Cl)cc1Cl ZINC000809835839 674514977 /nfs/dbraw/zinc/51/49/77/674514977.db2.gz UMEQQMKVYSRPOJ-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCNC(=O)[O-] ZINC000738633292 603250988 /nfs/dbraw/zinc/25/09/88/603250988.db2.gz XOTYOZJPQVOQFV-VIFPVBQESA-N -1 1 358.782 2.165 20 5 FEBDMM CC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829159987 604263388 /nfs/dbraw/zinc/26/33/88/604263388.db2.gz BGZSLIADIAWILT-QWRGUYRKSA-N -1 1 371.821 2.228 20 5 FEBDMM Cn1cc(CN2CCC[C@H](NC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949030 605485199 /nfs/dbraw/zinc/48/51/99/605485199.db2.gz LGOABHINQZIHGK-AWEZNQCLSA-N -1 1 359.386 2.227 20 5 FEBDMM CCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821422386 606708114 /nfs/dbraw/zinc/70/81/14/606708114.db2.gz WMQSGKIPQPCZND-UHFFFAOYSA-N -1 1 359.321 2.320 20 5 FEBDMM CCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821422386 606708116 /nfs/dbraw/zinc/70/81/16/606708116.db2.gz WMQSGKIPQPCZND-UHFFFAOYSA-N -1 1 359.321 2.320 20 5 FEBDMM Cc1ccccc1OCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822366516 606708993 /nfs/dbraw/zinc/70/89/93/606708993.db2.gz LFOLSADMBFKDBZ-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM Cc1ccccc1OCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822366516 606708995 /nfs/dbraw/zinc/70/89/95/606708995.db2.gz LFOLSADMBFKDBZ-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM CCOc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC ZINC000821393811 606710395 /nfs/dbraw/zinc/71/03/95/606710395.db2.gz BOVXNIIAMCWAJE-UHFFFAOYSA-N -1 1 371.357 2.189 20 5 FEBDMM CCOc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC ZINC000821393811 606710397 /nfs/dbraw/zinc/71/03/97/606710397.db2.gz BOVXNIIAMCWAJE-UHFFFAOYSA-N -1 1 371.357 2.189 20 5 FEBDMM CCO[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362272 606713359 /nfs/dbraw/zinc/71/33/59/606713359.db2.gz ZEMDCPYTUDYOMQ-RYUDHWBXSA-N -1 1 359.390 2.320 20 5 FEBDMM CCO[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362272 606713360 /nfs/dbraw/zinc/71/33/60/606713360.db2.gz ZEMDCPYTUDYOMQ-RYUDHWBXSA-N -1 1 359.390 2.320 20 5 FEBDMM COc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821777868 606715642 /nfs/dbraw/zinc/71/56/42/606715642.db2.gz NFVLZOWLGWRIRD-QMMMGPOBSA-N -1 1 359.321 2.491 20 5 FEBDMM COc1ccc([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821777868 606715644 /nfs/dbraw/zinc/71/56/44/606715644.db2.gz NFVLZOWLGWRIRD-QMMMGPOBSA-N -1 1 359.321 2.491 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823620073 606725655 /nfs/dbraw/zinc/72/56/55/606725655.db2.gz HPDYUSFJGABOHZ-CYBMUJFWSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823620073 606725657 /nfs/dbraw/zinc/72/56/57/606725657.db2.gz HPDYUSFJGABOHZ-CYBMUJFWSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000826498110 607841402 /nfs/dbraw/zinc/84/14/02/607841402.db2.gz HTSLTWFUKPFICV-LBPRGKRZSA-N -1 1 366.385 2.108 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824670143 607902928 /nfs/dbraw/zinc/90/29/28/607902928.db2.gz LASVTLNNQZIJIB-BGGANLFTSA-N -1 1 373.398 2.080 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824670143 607902929 /nfs/dbraw/zinc/90/29/29/607902929.db2.gz LASVTLNNQZIJIB-BGGANLFTSA-N -1 1 373.398 2.080 20 5 FEBDMM COCn1nc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1C ZINC000811831284 674632184 /nfs/dbraw/zinc/63/21/84/674632184.db2.gz DIFVMJVUIVFFSC-UHFFFAOYSA-N -1 1 374.806 2.466 20 5 FEBDMM CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814984061 674892477 /nfs/dbraw/zinc/89/24/77/674892477.db2.gz UAASEFKKFDIXMH-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000814980774 674892544 /nfs/dbraw/zinc/89/25/44/674892544.db2.gz SHYDIGIVAHUONC-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000814995316 674893946 /nfs/dbraw/zinc/89/39/46/674893946.db2.gz GUULHVXUMOPYGI-MRVPVSSYSA-N -1 1 352.771 2.092 20 5 FEBDMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029258 674902342 /nfs/dbraw/zinc/90/23/42/674902342.db2.gz PPIKRJRRBWZGLL-UHFFFAOYSA-N -1 1 354.787 2.215 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000815037494 674905006 /nfs/dbraw/zinc/90/50/06/674905006.db2.gz MHPDHGMVEIRIAJ-KWQFWETISA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N-]C(=O)c1ccccc1 ZINC000003471458 669945446 /nfs/dbraw/zinc/94/54/46/669945446.db2.gz LNOMYQMHYZLYFE-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000591702885 672703045 /nfs/dbraw/zinc/70/30/45/672703045.db2.gz OGIGPBJEUOODPR-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000725816047 673091862 /nfs/dbraw/zinc/09/18/62/673091862.db2.gz ZSWVPFCCPNUIAD-UHFFFAOYSA-N -1 1 370.770 2.455 20 5 FEBDMM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N-]C(=O)c1ccccc1 ZINC000730642787 673286456 /nfs/dbraw/zinc/28/64/56/673286456.db2.gz GRUFGVJTBUEBON-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC000736866620 673543037 /nfs/dbraw/zinc/54/30/37/673543037.db2.gz MCVOALHSIIFRAE-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229662 673644903 /nfs/dbraw/zinc/64/49/03/673644903.db2.gz HKIZYRYDECXKIN-JTQLQIEISA-N -1 1 370.456 2.480 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)CC)c([N+](=O)[O-])n1 ZINC000599446422 673676302 /nfs/dbraw/zinc/67/63/02/673676302.db2.gz SPBURAPDPBLGAY-UHFFFAOYSA-N -1 1 354.379 2.161 20 5 FEBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599485616 673682324 /nfs/dbraw/zinc/68/23/24/673682324.db2.gz GWFXVXGCGMEVOX-INIZCTEOSA-N -1 1 370.427 2.093 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c([N+](=O)[O-])s1 ZINC000601430784 673861002 /nfs/dbraw/zinc/86/10/02/673861002.db2.gz ZGCCQOFSIRBCRL-UHFFFAOYSA-N -1 1 352.409 2.009 20 5 FEBDMM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547961402 673909507 /nfs/dbraw/zinc/90/95/07/673909507.db2.gz XBSNSVXZEGQXSE-UHFFFAOYSA-N -1 1 362.367 2.292 20 5 FEBDMM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000566369056 675208629 /nfs/dbraw/zinc/20/86/29/675208629.db2.gz ZUWJTDCJIUBOIY-CABCVRRESA-N -1 1 352.387 2.446 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(C)o1 ZINC000619488618 676380432 /nfs/dbraw/zinc/38/04/32/676380432.db2.gz PASAJUFJJGPZSY-LLVKDONJSA-N -1 1 370.383 2.171 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[C@@H]1O ZINC000831158800 679937187 /nfs/dbraw/zinc/93/71/87/679937187.db2.gz MBOAAMYTJWYONU-BDAKNGLRSA-N -1 1 369.226 2.339 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(CCO)CC2)c1Cl ZINC000831169753 679939938 /nfs/dbraw/zinc/93/99/38/679939938.db2.gz IDZHSKATKHJRMV-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM CCCC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OCC ZINC000748207076 679941895 /nfs/dbraw/zinc/94/18/95/679941895.db2.gz CTPDTPRSMZYNTG-CQSZACIVSA-N -1 1 365.411 2.437 20 5 FEBDMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000748658698 679985573 /nfs/dbraw/zinc/98/55/73/679985573.db2.gz QYKHSROGJLOKRH-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000831834663 680049737 /nfs/dbraw/zinc/04/97/37/680049737.db2.gz JMPXPPGBFWTOBS-UHFFFAOYSA-N -1 1 350.755 2.012 20 5 FEBDMM Cn1cnc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000757348578 680522617 /nfs/dbraw/zinc/52/26/17/680522617.db2.gz OICKLLKPTBPPGF-UHFFFAOYSA-N -1 1 365.198 2.114 20 5 FEBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000841535572 680893744 /nfs/dbraw/zinc/89/37/44/680893744.db2.gz SWTFZAAFGBSGRP-HTQZYQBOSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000767587823 680917553 /nfs/dbraw/zinc/91/75/53/680917553.db2.gz QQNFPJXEOUKWIO-LBPRGKRZSA-N -1 1 366.370 2.275 20 5 FEBDMM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)nc2c1 ZINC000768850066 680961650 /nfs/dbraw/zinc/96/16/50/680961650.db2.gz YNFRHJUDISJPAS-UHFFFAOYSA-N -1 1 352.397 2.320 20 5 FEBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)[nH]c2c1 ZINC000768850066 680961651 /nfs/dbraw/zinc/96/16/51/680961651.db2.gz YNFRHJUDISJPAS-UHFFFAOYSA-N -1 1 352.397 2.320 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1 ZINC000769046860 680968936 /nfs/dbraw/zinc/96/89/36/680968936.db2.gz INIWFBDFTQOEHX-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000770277398 681011445 /nfs/dbraw/zinc/01/14/45/681011445.db2.gz XVXLRPARXKKELR-SNVBAGLBSA-N -1 1 362.816 2.322 20 5 FEBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CO1 ZINC000849412516 681720732 /nfs/dbraw/zinc/72/07/32/681720732.db2.gz PRVKKJANEIDJMH-ZETCQYMHSA-N -1 1 352.771 2.233 20 5 FEBDMM Cc1ncsc1-c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000780077145 681790127 /nfs/dbraw/zinc/79/01/27/681790127.db2.gz UVPJHTPLOBDBBI-UHFFFAOYSA-N -1 1 362.323 2.472 20 5 FEBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784478382 682231206 /nfs/dbraw/zinc/23/12/06/682231206.db2.gz BLNNQAFPPHAXIT-DTWKUNHWSA-N -1 1 364.807 2.114 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000785342608 682289516 /nfs/dbraw/zinc/28/95/16/682289516.db2.gz JTENESMIACLMOT-BZBKMWRSSA-N -1 1 361.217 2.434 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000918194834 685537919 /nfs/dbraw/zinc/53/79/19/685537919.db2.gz YNIGCWXZXCKKHA-NSHDSACASA-N -1 1 366.370 2.264 20 5 FEBDMM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000792782624 682840458 /nfs/dbraw/zinc/84/04/58/682840458.db2.gz IAIIYWSITZENQY-HTQZYQBOSA-N -1 1 359.433 2.327 20 5 FEBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000792782624 682840467 /nfs/dbraw/zinc/84/04/67/682840467.db2.gz IAIIYWSITZENQY-HTQZYQBOSA-N -1 1 359.433 2.327 20 5 FEBDMM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796102172 683128064 /nfs/dbraw/zinc/12/80/64/683128064.db2.gz DUDKNOZLKXFVTL-MEDUHNTESA-N -1 1 368.386 2.443 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000921857538 683596132 /nfs/dbraw/zinc/59/61/32/683596132.db2.gz WQXNHPMMCWOJRJ-RISCZKNCSA-N -1 1 358.391 2.217 20 5 FEBDMM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872652215 684995963 /nfs/dbraw/zinc/99/59/63/684995963.db2.gz AIFPCDPNRBKAAZ-IWXRYERYSA-N -1 1 360.819 2.484 20 5 FEBDMM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000872654648 684996729 /nfs/dbraw/zinc/99/67/29/684996729.db2.gz YOQPTOSCWROWHM-VTGPFMDVSA-N -1 1 360.819 2.484 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000907452520 691486270 /nfs/dbraw/zinc/48/62/70/691486270.db2.gz BFWUSZOGDXNSBR-UHFFFAOYSA-N -1 1 360.407 2.465 20 5 FEBDMM CN(C)c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000028757082 539836621 /nfs/dbraw/zinc/83/66/21/539836621.db2.gz RWPQBPBAQHDUMO-SNVBAGLBSA-N -1 1 356.791 2.136 20 5 FEBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000800990166 674096198 /nfs/dbraw/zinc/09/61/98/674096198.db2.gz OCBFWYJCFJGDCQ-ZCFIWIBFSA-N -1 1 353.316 2.314 20 5 FEBDMM CSc1nc(C)c(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000054235901 540577709 /nfs/dbraw/zinc/57/77/09/540577709.db2.gz FRXDGQKQRYBICN-UHFFFAOYSA-N -1 1 363.395 2.384 20 5 FEBDMM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064243089 541196281 /nfs/dbraw/zinc/19/62/81/541196281.db2.gz CKACVRIOKUCFEC-UHFFFAOYSA-N -1 1 355.441 2.461 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092498 541763777 /nfs/dbraw/zinc/76/37/77/541763777.db2.gz OYZROWCBVJBONC-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000127592282 544001967 /nfs/dbraw/zinc/00/19/67/544001967.db2.gz GAYGZQUEFKWDSA-SNVBAGLBSA-N -1 1 369.179 2.142 20 5 FEBDMM O=C([O-])c1ccccc1OCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000183932952 327842482 /nfs/dbraw/zinc/84/24/82/327842482.db2.gz BNLWCKYUCHXHOP-UHFFFAOYSA-N -1 1 371.393 2.494 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185509214 327920042 /nfs/dbraw/zinc/92/00/42/327920042.db2.gz YGYKHNHXFZEFOK-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=C(c1ccccc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186875819 327987853 /nfs/dbraw/zinc/98/78/53/327987853.db2.gz CJQUINKRHANXHS-UHFFFAOYSA-N -1 1 355.350 2.431 20 5 FEBDMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187099493 328002232 /nfs/dbraw/zinc/00/22/32/328002232.db2.gz RDYNQRJVNFMPMV-ZDUSSCGKSA-N -1 1 360.345 2.233 20 5 FEBDMM CN(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000188810782 328112035 /nfs/dbraw/zinc/11/20/35/328112035.db2.gz SBWDYMUKKVDZMY-CQSZACIVSA-N -1 1 364.789 2.382 20 5 FEBDMM CN(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000188810762 328112071 /nfs/dbraw/zinc/11/20/71/328112071.db2.gz SBWDYMUKKVDZMY-AWEZNQCLSA-N -1 1 364.789 2.382 20 5 FEBDMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000116902982 326041956 /nfs/dbraw/zinc/04/19/56/326041956.db2.gz XVTGMQHOZQBLHU-NRFANRHFSA-N -1 1 368.864 2.074 20 5 FEBDMM Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1C ZINC000120546076 326267283 /nfs/dbraw/zinc/26/72/83/326267283.db2.gz SWVKSVFAMOERHX-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000129675238 326544601 /nfs/dbraw/zinc/54/46/01/326544601.db2.gz AXCFHZDIFGNACO-LBPRGKRZSA-N -1 1 373.394 2.215 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000157267348 326860480 /nfs/dbraw/zinc/86/04/80/326860480.db2.gz XUJZPDJWCAHZIP-UHFFFAOYSA-N -1 1 354.388 2.262 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000160235799 546020544 /nfs/dbraw/zinc/02/05/44/546020544.db2.gz AQBKUIJHUKLQHG-OAHLLOKOSA-N -1 1 353.338 2.246 20 5 FEBDMM COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000479130898 561182249 /nfs/dbraw/zinc/18/22/49/561182249.db2.gz DUCDNQFRHAKJTM-NSHDSACASA-N -1 1 356.322 2.149 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2Cl)CC1 ZINC000186869367 548209248 /nfs/dbraw/zinc/20/92/48/548209248.db2.gz VEECKPFPTOGMQF-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246179913 549070758 /nfs/dbraw/zinc/07/07/58/549070758.db2.gz DBHHCJHFCAXATI-COLVAYQJSA-N -1 1 370.402 2.360 20 5 FEBDMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278178728 550757644 /nfs/dbraw/zinc/75/76/44/550757644.db2.gz ZNYLRRDSFJOFEP-UKRRQHHQSA-N -1 1 361.329 2.485 20 5 FEBDMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281145427 551067942 /nfs/dbraw/zinc/06/79/42/551067942.db2.gz KFCHLNMATBCVQW-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM O=C([N-]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1)C(F)(F)F ZINC000290578311 552501769 /nfs/dbraw/zinc/50/17/69/552501769.db2.gz BRZZTZTXGQFIER-MRVPVSSYSA-N -1 1 373.291 2.026 20 5 FEBDMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294151026 552885889 /nfs/dbraw/zinc/88/58/89/552885889.db2.gz QBDMIKKXTGTOLO-NSHDSACASA-N -1 1 360.345 2.185 20 5 FEBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000505132866 561666692 /nfs/dbraw/zinc/66/66/92/561666692.db2.gz FNLJGDWZJUKMIA-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM COc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc(Cl)c1[O-] ZINC000350912572 554821441 /nfs/dbraw/zinc/82/14/41/554821441.db2.gz XTGNPMFVKFPVFN-UHFFFAOYSA-N -1 1 351.706 2.413 20 5 FEBDMM Cc1cccnc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000366115614 555756000 /nfs/dbraw/zinc/75/60/00/555756000.db2.gz RIOYVXLHUQKWFS-UHFFFAOYSA-N -1 1 353.425 2.370 20 5 FEBDMM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000515246516 562002445 /nfs/dbraw/zinc/00/24/45/562002445.db2.gz WRHNCDOPHKEZTN-LBPRGKRZSA-N -1 1 351.746 2.202 20 5 FEBDMM COc1cc(OC)cc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000373079065 557623374 /nfs/dbraw/zinc/62/33/74/557623374.db2.gz GURZFYDCXTZYNO-LLVKDONJSA-N -1 1 373.365 2.342 20 5 FEBDMM Cc1csc(NC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000375726019 558073356 /nfs/dbraw/zinc/07/33/56/558073356.db2.gz SZSKHGUBWPTSHF-UHFFFAOYSA-N -1 1 363.399 2.177 20 5 FEBDMM Cc1ccccc1OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688648 562252348 /nfs/dbraw/zinc/25/23/48/562252348.db2.gz VJVKLWRLFMHPIW-UHFFFAOYSA-N -1 1 351.384 2.046 20 5 FEBDMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000422125663 559566701 /nfs/dbraw/zinc/56/67/01/559566701.db2.gz PLPLYFVONSFHQC-WDEREUQCSA-N -1 1 365.386 2.135 20 5 FEBDMM COc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc2n1 ZINC000440176111 560006247 /nfs/dbraw/zinc/00/62/47/560006247.db2.gz DESFMPUYARMKHL-UHFFFAOYSA-N -1 1 354.322 2.182 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000443141396 560072404 /nfs/dbraw/zinc/07/24/04/560072404.db2.gz FOEXVZBBYNNFCR-UHFFFAOYSA-N -1 1 374.806 2.407 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])no1 ZINC000443145756 560072517 /nfs/dbraw/zinc/07/25/17/560072517.db2.gz YLORZOYYRWPYAC-UHFFFAOYSA-N -1 1 368.415 2.371 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1nn[n-]n1 ZINC000446420047 560145761 /nfs/dbraw/zinc/14/57/61/560145761.db2.gz ZBBLJWLBJYEXMP-NSHDSACASA-N -1 1 362.393 2.070 20 5 FEBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000451097703 560286969 /nfs/dbraw/zinc/28/69/69/560286969.db2.gz SSNMXXUCYHKBID-UHFFFAOYSA-N -1 1 358.401 2.378 20 5 FEBDMM CO[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000469287247 560951804 /nfs/dbraw/zinc/95/18/04/560951804.db2.gz LSTYNNZURCETPP-MRVPVSSYSA-N -1 1 362.351 2.210 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])n1 ZINC000532853136 562490506 /nfs/dbraw/zinc/49/05/06/562490506.db2.gz INCHKAXZLHBZAQ-GFCCVEGCSA-N -1 1 370.818 2.430 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000532855195 562490728 /nfs/dbraw/zinc/49/07/28/562490728.db2.gz WNTWLTGRYFGNAX-GFCCVEGCSA-N -1 1 352.416 2.202 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000541074470 562602225 /nfs/dbraw/zinc/60/22/25/562602225.db2.gz MPBWWMNPDNWLMS-UHFFFAOYSA-N -1 1 366.351 2.191 20 5 FEBDMM CSc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000569428761 568402079 /nfs/dbraw/zinc/40/20/79/568402079.db2.gz KQOZWVKBGLGWEZ-UHFFFAOYSA-N -1 1 353.425 2.233 20 5 FEBDMM CN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000821628775 607346215 /nfs/dbraw/zinc/34/62/15/607346215.db2.gz QBPACXUNUBFSAO-UHFFFAOYSA-N -1 1 351.370 2.231 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737117457 598576513 /nfs/dbraw/zinc/57/65/13/598576513.db2.gz VUDMVDZPFVSPAS-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737117457 598576515 /nfs/dbraw/zinc/57/65/15/598576515.db2.gz VUDMVDZPFVSPAS-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000740115335 599990663 /nfs/dbraw/zinc/99/06/63/599990663.db2.gz UJYXUSDJGKEPEO-UHFFFAOYSA-N -1 1 353.294 2.330 20 5 FEBDMM CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737347763 600196986 /nfs/dbraw/zinc/19/69/86/600196986.db2.gz FKOJFVDDOJQFCU-OAHLLOKOSA-N -1 1 354.322 2.369 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738251294 600612316 /nfs/dbraw/zinc/61/23/16/600612316.db2.gz HUXMMCIBLATHSW-UHFFFAOYSA-N -1 1 366.351 2.167 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000832905437 601784846 /nfs/dbraw/zinc/78/48/46/601784846.db2.gz LJJYPRVJOUWENH-UHFFFAOYSA-N -1 1 353.356 2.049 20 5 FEBDMM CCCCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825268390 607583596 /nfs/dbraw/zinc/58/35/96/607583596.db2.gz ULYUWOFMSRJOOU-JTQLQIEISA-N -1 1 368.419 2.022 20 5 FEBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830029 674514093 /nfs/dbraw/zinc/51/40/93/674514093.db2.gz QHXCBWPOQMXXJS-PRHODGIISA-N -1 1 366.798 2.481 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809827555 674513628 /nfs/dbraw/zinc/51/36/28/674513628.db2.gz ABCNFJPBHKTDBX-SNVBAGLBSA-N -1 1 352.771 2.091 20 5 FEBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000834177452 605324989 /nfs/dbraw/zinc/32/49/89/605324989.db2.gz BNAQSIFHWBJTIQ-VHDGCEQUSA-N -1 1 359.386 2.270 20 5 FEBDMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833383512 605366806 /nfs/dbraw/zinc/36/68/06/605366806.db2.gz UQKMGWXRYCRLJZ-FZDNWWAKSA-N -1 1 361.398 2.006 20 5 FEBDMM CSc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000821978829 606291866 /nfs/dbraw/zinc/29/18/66/606291866.db2.gz NCSCEOHKDONEHX-UHFFFAOYSA-N -1 1 372.366 2.455 20 5 FEBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823294512 606293385 /nfs/dbraw/zinc/29/33/85/606293385.db2.gz DXTWUTYRVPEONH-UHFFFAOYSA-N -1 1 366.293 2.479 20 5 FEBDMM CN(CCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821605048 606644840 /nfs/dbraw/zinc/64/48/40/606644840.db2.gz SAUALJOKLKZAFD-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM COc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC000821849307 606645487 /nfs/dbraw/zinc/64/54/87/606645487.db2.gz CSFPOXYKZKYSGI-UHFFFAOYSA-N -1 1 352.354 2.346 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823435843 606651514 /nfs/dbraw/zinc/65/15/14/606651514.db2.gz BIHJMJGSJQRZLG-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823435843 606651515 /nfs/dbraw/zinc/65/15/15/606651515.db2.gz BIHJMJGSJQRZLG-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM COc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000821795249 606707039 /nfs/dbraw/zinc/70/70/39/606707039.db2.gz WXJLEADLUHEXLV-UHFFFAOYSA-N -1 1 355.358 2.123 20 5 FEBDMM COc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC000821795249 606707041 /nfs/dbraw/zinc/70/70/41/606707041.db2.gz WXJLEADLUHEXLV-UHFFFAOYSA-N -1 1 355.358 2.123 20 5 FEBDMM CCN(C)c1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821164536 606707951 /nfs/dbraw/zinc/70/79/51/606707951.db2.gz GQMSLNSAWCMTOS-UHFFFAOYSA-N -1 1 354.374 2.238 20 5 FEBDMM CCN(C)c1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821164536 606707953 /nfs/dbraw/zinc/70/79/53/606707953.db2.gz GQMSLNSAWCMTOS-UHFFFAOYSA-N -1 1 354.374 2.238 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCO[C@H](c2ccccc2)C1 ZINC000823621166 606709148 /nfs/dbraw/zinc/70/91/48/606709148.db2.gz XRXSCZGKTHPWPI-AWEZNQCLSA-N -1 1 367.369 2.138 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCO[C@H](c2ccccc2)C1 ZINC000823621166 606709149 /nfs/dbraw/zinc/70/91/49/606709149.db2.gz XRXSCZGKTHPWPI-AWEZNQCLSA-N -1 1 367.369 2.138 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(Cl)cccc2C1 ZINC000823620984 606712844 /nfs/dbraw/zinc/71/28/44/606712844.db2.gz VESMILNEJPPOSX-UHFFFAOYSA-N -1 1 357.761 2.386 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c(Cl)cccc2C1 ZINC000823620984 606712846 /nfs/dbraw/zinc/71/28/46/606712846.db2.gz VESMILNEJPPOSX-UHFFFAOYSA-N -1 1 357.761 2.386 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820281216 606712943 /nfs/dbraw/zinc/71/29/43/606712943.db2.gz UBFZWUIXBXSMHN-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820281216 606712944 /nfs/dbraw/zinc/71/29/44/606712944.db2.gz UBFZWUIXBXSMHN-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362271 606713356 /nfs/dbraw/zinc/71/33/56/606713356.db2.gz ZEMDCPYTUDYOMQ-NWDGAFQWSA-N -1 1 359.390 2.320 20 5 FEBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362271 606713357 /nfs/dbraw/zinc/71/33/57/606713357.db2.gz ZEMDCPYTUDYOMQ-NWDGAFQWSA-N -1 1 359.390 2.320 20 5 FEBDMM CC(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccnc1 ZINC000820021276 606718015 /nfs/dbraw/zinc/71/80/15/606718015.db2.gz SCNRLZUNPPWEJO-ZDUSSCGKSA-N -1 1 354.374 2.417 20 5 FEBDMM CC(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccnc1 ZINC000820021276 606718017 /nfs/dbraw/zinc/71/80/17/606718017.db2.gz SCNRLZUNPPWEJO-ZDUSSCGKSA-N -1 1 354.374 2.417 20 5 FEBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232298 606719086 /nfs/dbraw/zinc/71/90/86/606719086.db2.gz FQDFHNKUXYFDSL-GWCFXTLKSA-N -1 1 355.358 2.094 20 5 FEBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232298 606719087 /nfs/dbraw/zinc/71/90/87/606719087.db2.gz FQDFHNKUXYFDSL-GWCFXTLKSA-N -1 1 355.358 2.094 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1csc(-c2ccco2)n1 ZINC000823624720 606880912 /nfs/dbraw/zinc/88/09/12/606880912.db2.gz GODZVBJMQPFQAF-UHFFFAOYSA-N -1 1 370.354 2.499 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1csc(-c2ccco2)n1 ZINC000823624720 606880913 /nfs/dbraw/zinc/88/09/13/606880913.db2.gz GODZVBJMQPFQAF-UHFFFAOYSA-N -1 1 370.354 2.499 20 5 FEBDMM Cc1cccc(OCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822328263 607164929 /nfs/dbraw/zinc/16/49/29/607164929.db2.gz NSJDUWBCXHUFPE-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM Cc1cccc(OCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822328263 607164930 /nfs/dbraw/zinc/16/49/30/607164930.db2.gz NSJDUWBCXHUFPE-UHFFFAOYSA-N -1 1 355.358 2.359 20 5 FEBDMM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826333693 607842007 /nfs/dbraw/zinc/84/20/07/607842007.db2.gz RGSKGAGYJBKHRI-HNNXBMFYSA-N -1 1 368.401 2.467 20 5 FEBDMM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826333693 607842008 /nfs/dbraw/zinc/84/20/08/607842008.db2.gz RGSKGAGYJBKHRI-HNNXBMFYSA-N -1 1 368.401 2.467 20 5 FEBDMM CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C(=O)[O-])C1 ZINC000563456255 674891867 /nfs/dbraw/zinc/89/18/67/674891867.db2.gz UHLMGZBKIXNKKZ-HUUCEWRRSA-N -1 1 352.387 2.446 20 5 FEBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000815023837 674900173 /nfs/dbraw/zinc/90/01/73/674900173.db2.gz JVMHNMFOYZMBNO-VXGBXAGGSA-N -1 1 366.798 2.479 20 5 FEBDMM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032982 674903728 /nfs/dbraw/zinc/90/37/28/674903728.db2.gz QUWOXPKISXOPMS-MADCSZMMSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044999 674906415 /nfs/dbraw/zinc/90/64/15/674906415.db2.gz LHCIHJMNLNRBGZ-IMTBSYHQSA-N -1 1 354.812 2.417 20 5 FEBDMM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000110177871 670847946 /nfs/dbraw/zinc/84/79/46/670847946.db2.gz XDSCRHVCRJJIHF-UHFFFAOYSA-N -1 1 373.387 2.298 20 5 FEBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2ccccc12 ZINC000608835138 675905289 /nfs/dbraw/zinc/90/52/89/675905289.db2.gz IKBXIFXENHKVCK-UHFFFAOYSA-N -1 1 364.408 2.386 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000610261016 675961725 /nfs/dbraw/zinc/96/17/25/675961725.db2.gz LGDGPCTXWKUUBT-UHFFFAOYSA-N -1 1 353.425 2.451 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000610260313 675961953 /nfs/dbraw/zinc/96/19/53/675961953.db2.gz RUWKCQGVBIWAMK-UHFFFAOYSA-N -1 1 366.380 2.185 20 5 FEBDMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122763083 671971185 /nfs/dbraw/zinc/97/11/85/671971185.db2.gz QIARZSLJNJPVOP-ZYHUDNBSSA-N -1 1 356.425 2.447 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc([N+](=O)[O-])c1F ZINC000130008883 672069377 /nfs/dbraw/zinc/06/93/77/672069377.db2.gz YZVYXNFTBCQZKV-UHFFFAOYSA-N -1 1 365.342 2.087 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1 ZINC000159309240 672280171 /nfs/dbraw/zinc/28/01/71/672280171.db2.gz KTFCOKAVMYGJHJ-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000178614332 672393135 /nfs/dbraw/zinc/39/31/35/672393135.db2.gz UVRQTQYBGWAIEC-SNVBAGLBSA-N -1 1 354.359 2.266 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCc2ccc(C)cc2C)c([N+](=O)[O-])n1 ZINC000611104925 676017390 /nfs/dbraw/zinc/01/73/90/676017390.db2.gz XBUSMZYRQYOQCA-UHFFFAOYSA-N -1 1 366.443 2.339 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611105902 676017640 /nfs/dbraw/zinc/01/76/40/676017640.db2.gz ICXVHDBBERGHNP-UHFFFAOYSA-N -1 1 352.416 2.067 20 5 FEBDMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000611106589 676017883 /nfs/dbraw/zinc/01/78/83/676017883.db2.gz YCPBQLFRZGLQKN-QWHCGFSZSA-N -1 1 374.463 2.073 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245536637 672820382 /nfs/dbraw/zinc/82/03/82/672820382.db2.gz ILEWUYLFABFJLG-ZLKJLUDKSA-N -1 1 372.830 2.484 20 5 FEBDMM O=C(NCC[C@H]1CSc2ccccc2O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592825844 672843344 /nfs/dbraw/zinc/84/33/44/672843344.db2.gz HUNGGZZBTDKUJQ-NSHDSACASA-N -1 1 361.379 2.369 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)s1 ZINC000612173522 676071977 /nfs/dbraw/zinc/07/19/77/676071977.db2.gz XTMRXIZNHPVZOT-MRVPVSSYSA-N -1 1 362.335 2.347 20 5 FEBDMM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743007 673127177 /nfs/dbraw/zinc/12/71/77/673127177.db2.gz DMDZCGYWBVFDAV-LLVKDONJSA-N -1 1 351.384 2.346 20 5 FEBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594771516 673137042 /nfs/dbraw/zinc/13/70/42/673137042.db2.gz ITOAMKURTBXYNA-UHFFFAOYSA-N -1 1 366.399 2.041 20 5 FEBDMM Cc1cccc(C2([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CCCC2)c1 ZINC000599229407 673644708 /nfs/dbraw/zinc/64/47/08/673644708.db2.gz BWJPRFSXUFUCLJ-UHFFFAOYSA-N -1 1 364.427 2.385 20 5 FEBDMM C[C@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599277890 673652593 /nfs/dbraw/zinc/65/25/93/673652593.db2.gz KOSWGROHZMFWQZ-NHYWBVRUSA-N -1 1 364.427 2.320 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599466271 673679399 /nfs/dbraw/zinc/67/93/99/673679399.db2.gz COVDGDCDNQGOJD-ZLKJLUDKSA-N -1 1 365.798 2.260 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSCc1ccccc1 ZINC000742271940 673717473 /nfs/dbraw/zinc/71/74/73/673717473.db2.gz PHMDMULHPXJWNY-UHFFFAOYSA-N -1 1 353.425 2.202 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000546780412 673818389 /nfs/dbraw/zinc/81/83/89/673818389.db2.gz DGOGVZYYRXEERX-LURJTMIESA-N -1 1 362.820 2.448 20 5 FEBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828071066 675796114 /nfs/dbraw/zinc/79/61/14/675796114.db2.gz LTAKXSATZBMGFV-BDAKNGLRSA-N -1 1 368.814 2.463 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000761099856 680710952 /nfs/dbraw/zinc/71/09/52/680710952.db2.gz DNVMMMQLTBGUKN-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000761104409 680711053 /nfs/dbraw/zinc/71/10/53/680711053.db2.gz SQNSFQZVIAADJJ-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000747595448 679891934 /nfs/dbraw/zinc/89/19/34/679891934.db2.gz NRFXCQFOHVUQBV-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]nc1C(C)C ZINC000842824337 680969743 /nfs/dbraw/zinc/96/97/43/680969743.db2.gz MZKLRMUWRDZROT-UHFFFAOYSA-N -1 1 369.359 2.459 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@](C)(O)c1ccccc1 ZINC000845975456 681168023 /nfs/dbraw/zinc/16/80/23/681168023.db2.gz BNRBAUIZQVJEBA-IINYFYTJSA-N -1 1 356.425 2.231 20 5 FEBDMM CC(C)(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000774961365 681257210 /nfs/dbraw/zinc/25/72/10/681257210.db2.gz NQDMMNFTXPJTCA-UHFFFAOYSA-N -1 1 362.304 2.484 20 5 FEBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000778514055 681619136 /nfs/dbraw/zinc/61/91/36/681619136.db2.gz DXUNTAAXICWVGT-UHFFFAOYSA-N -1 1 366.717 2.230 20 5 FEBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000779420435 681714857 /nfs/dbraw/zinc/71/48/57/681714857.db2.gz BDAFPAYIOZSMRV-GFCCVEGCSA-N -1 1 350.327 2.340 20 5 FEBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]1 ZINC000788505595 682534437 /nfs/dbraw/zinc/53/44/37/682534437.db2.gz LHBFTWZBQFBMBN-ZETCQYMHSA-N -1 1 368.346 2.363 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000788505595 682534440 /nfs/dbraw/zinc/53/44/40/682534440.db2.gz LHBFTWZBQFBMBN-ZETCQYMHSA-N -1 1 368.346 2.363 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000859405382 683102162 /nfs/dbraw/zinc/10/21/62/683102162.db2.gz UXMFJVTVNVMMJI-GFCCVEGCSA-N -1 1 370.818 2.430 20 5 FEBDMM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796015442 683118724 /nfs/dbraw/zinc/11/87/24/683118724.db2.gz QELVHSOORWUKQI-LBPRGKRZSA-N -1 1 356.425 2.231 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cscn2)cc1Cl ZINC000798226208 683324629 /nfs/dbraw/zinc/32/46/29/683324629.db2.gz CRVKKCBWFMYOBV-UHFFFAOYSA-N -1 1 351.768 2.322 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)O2)s1 ZINC000921587419 683511365 /nfs/dbraw/zinc/51/13/65/683511365.db2.gz SDCWVEZPQSXWCL-JGVFFNPUSA-N -1 1 374.362 2.435 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028729 691881839 /nfs/dbraw/zinc/88/18/39/691881839.db2.gz VJFPISNFOIBMBE-VXGBXAGGSA-N -1 1 360.288 2.310 20 5 FEBDMM CC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549522394 674046171 /nfs/dbraw/zinc/04/61/71/674046171.db2.gz DDPCXGWCXYCMJZ-UHFFFAOYSA-N -1 1 359.148 2.291 20 5 FEBDMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000023510537 539715700 /nfs/dbraw/zinc/71/57/00/539715700.db2.gz UKAWFDNBPCTTGW-UHFFFAOYSA-N -1 1 371.271 2.154 20 5 FEBDMM CCn1c(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[n-]c1=S ZINC000067077387 541414941 /nfs/dbraw/zinc/41/49/41/541414941.db2.gz MMMPIMTYCSEDFH-UHFFFAOYSA-N -1 1 360.399 2.323 20 5 FEBDMM C[C@@H](CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000124174624 543805181 /nfs/dbraw/zinc/80/51/81/543805181.db2.gz ZZGVUQCLLRXRPQ-QMMMGPOBSA-N -1 1 370.822 2.116 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cnn(Cc2ccccc2)c1 ZINC000126112895 543919146 /nfs/dbraw/zinc/91/91/46/543919146.db2.gz XAGLIQAZVFOGAQ-LBPRGKRZSA-N -1 1 367.365 2.431 20 5 FEBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH]c21 ZINC000129987437 544134129 /nfs/dbraw/zinc/13/41/29/544134129.db2.gz ACDCWDMZKIJOJM-UHFFFAOYSA-N -1 1 364.358 2.397 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc2)n[nH]1 ZINC000131742816 544204814 /nfs/dbraw/zinc/20/48/14/544204814.db2.gz PHGCORYVBBIHOC-CQSZACIVSA-N -1 1 353.338 2.246 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000184269715 327859015 /nfs/dbraw/zinc/85/90/15/327859015.db2.gz UVEJWAGNAJNIHQ-JTQLQIEISA-N -1 1 360.775 2.243 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000184281327 327859542 /nfs/dbraw/zinc/85/95/42/327859542.db2.gz CANJXTYIDCUZHO-JTQLQIEISA-N -1 1 360.775 2.243 20 5 FEBDMM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189237610 328136567 /nfs/dbraw/zinc/13/65/67/328136567.db2.gz VKAPKUKCTMAGRM-LLVKDONJSA-N -1 1 360.345 2.091 20 5 FEBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192566941 328326113 /nfs/dbraw/zinc/32/61/13/328326113.db2.gz XGQOYQZHZWHEMI-LBPRGKRZSA-N -1 1 351.746 2.466 20 5 FEBDMM Cn1ncc2c1[n-]cc(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000119279315 326144510 /nfs/dbraw/zinc/14/45/10/326144510.db2.gz BGWRBQSRIRHFOX-UHFFFAOYSA-N -1 1 369.381 2.335 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000174258847 327315790 /nfs/dbraw/zinc/31/57/90/327315790.db2.gz ZSVOJSKYGMNFHH-QFIPXVFZSA-N -1 1 354.409 2.441 20 5 FEBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000272485252 329784973 /nfs/dbraw/zinc/78/49/73/329784973.db2.gz ZKXREEQKTGAXMH-GFCCVEGCSA-N -1 1 370.383 2.253 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000274061050 550521408 /nfs/dbraw/zinc/52/14/08/550521408.db2.gz ZWSDXTJMZCIWDN-UHFFFAOYSA-N -1 1 356.429 2.222 20 5 FEBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919523 550611114 /nfs/dbraw/zinc/61/11/14/550611114.db2.gz LAQYCUJXIFYFTH-BDAKNGLRSA-N -1 1 371.394 2.405 20 5 FEBDMM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000286667317 551912575 /nfs/dbraw/zinc/91/25/75/551912575.db2.gz HSCVPONGJUAZJL-UHFFFAOYSA-N -1 1 352.297 2.290 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288659494 552193704 /nfs/dbraw/zinc/19/37/04/552193704.db2.gz RINJNWZMAIDWOT-UHFFFAOYSA-N -1 1 355.347 2.079 20 5 FEBDMM C[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289118183 552268689 /nfs/dbraw/zinc/26/86/89/552268689.db2.gz KIUTVKGHYSINHB-SSDOTTSWSA-N -1 1 357.215 2.198 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c(Cl)cc1Cl ZINC000289828797 552385342 /nfs/dbraw/zinc/38/53/42/552385342.db2.gz LBHLCHMKJBIPEX-SFYZADRCSA-N -1 1 369.226 2.341 20 5 FEBDMM COc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290753661 552531860 /nfs/dbraw/zinc/53/18/60/552531860.db2.gz SVPMGQORIMRGGM-JTQLQIEISA-N -1 1 361.320 2.498 20 5 FEBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292187045 552702657 /nfs/dbraw/zinc/70/26/57/552702657.db2.gz FVHBQWQGWODBDM-PSASIEDQSA-N -1 1 363.340 2.155 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000298050158 553377314 /nfs/dbraw/zinc/37/73/14/553377314.db2.gz GTFCTUSPKRUTJP-YPMHNXCESA-N -1 1 363.395 2.485 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000327405922 553788498 /nfs/dbraw/zinc/78/84/98/553788498.db2.gz VVNLHKUANJQNJR-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380843 561727151 /nfs/dbraw/zinc/72/71/51/561727151.db2.gz MJOCKQKXRTVHQT-ZIAGYGMSSA-N -1 1 355.460 2.444 20 5 FEBDMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000364434458 555313467 /nfs/dbraw/zinc/31/34/67/555313467.db2.gz IQCRAFSIFUVVHS-OAHLLOKOSA-N -1 1 374.378 2.354 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H](CO)c2ccccc21 ZINC000364950036 555448024 /nfs/dbraw/zinc/44/80/24/555448024.db2.gz ANTYYDUIPRGTGF-HZMBPMFUSA-N -1 1 366.370 2.233 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000365019370 555465682 /nfs/dbraw/zinc/46/56/82/555465682.db2.gz XSYCNJGOJCVTKV-GFCCVEGCSA-N -1 1 353.338 2.132 20 5 FEBDMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000518994014 562123000 /nfs/dbraw/zinc/12/30/00/562123000.db2.gz MADFUSFPYWRPJQ-UHFFFAOYSA-N -1 1 365.729 2.050 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000373580204 557722100 /nfs/dbraw/zinc/72/21/00/557722100.db2.gz BTBRXWAWWHGMAY-CYBMUJFWSA-N -1 1 371.349 2.444 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000378565051 558584505 /nfs/dbraw/zinc/58/45/05/558584505.db2.gz DFVVNGRECJSRQE-LBPRGKRZSA-N -1 1 353.338 2.132 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000525087329 562240282 /nfs/dbraw/zinc/24/02/82/562240282.db2.gz ZCXBSAUVIRMESP-UHFFFAOYSA-N -1 1 361.301 2.487 20 5 FEBDMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525688903 562252384 /nfs/dbraw/zinc/25/23/84/562252384.db2.gz IOMGZXSEHPQTIF-LBPRGKRZSA-N -1 1 351.384 2.044 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000525696659 562252525 /nfs/dbraw/zinc/25/25/25/562252525.db2.gz GTEVDYDCEXEFSE-JTQLQIEISA-N -1 1 371.802 2.389 20 5 FEBDMM Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000416358660 559307313 /nfs/dbraw/zinc/30/73/13/559307313.db2.gz HHWBITQLWUKMEB-ZDUSSCGKSA-N -1 1 358.354 2.082 20 5 FEBDMM O=C(CCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000425329455 559697089 /nfs/dbraw/zinc/69/70/89/559697089.db2.gz ZSONZCJHOYHLEB-UHFFFAOYSA-N -1 1 374.353 2.053 20 5 FEBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)N3CCCCC3)n[nH]2)c1 ZINC000444421171 560113429 /nfs/dbraw/zinc/11/34/29/560113429.db2.gz FZSILIVJRVNUIO-UHFFFAOYSA-N -1 1 351.388 2.128 20 5 FEBDMM CCCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000444843697 560122286 /nfs/dbraw/zinc/12/22/86/560122286.db2.gz BMNQNVIZVBSOTB-UHFFFAOYSA-N -1 1 361.354 2.423 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461613357 560776735 /nfs/dbraw/zinc/77/67/35/560776735.db2.gz LKCPCYZQHVXOMC-UHFFFAOYSA-N -1 1 356.338 2.052 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000472434280 561026435 /nfs/dbraw/zinc/02/64/35/561026435.db2.gz VIVDZZKOYJEMAE-UHFFFAOYSA-N -1 1 354.388 2.326 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000474414814 561073560 /nfs/dbraw/zinc/07/35/60/561073560.db2.gz VSYXVNMNIIEELE-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000474414814 561073561 /nfs/dbraw/zinc/07/35/61/561073561.db2.gz VSYXVNMNIIEELE-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000530753203 562422815 /nfs/dbraw/zinc/42/28/15/562422815.db2.gz ZXGFYDOMVXWBQB-UHFFFAOYSA-N -1 1 365.349 2.080 20 5 FEBDMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000532386227 562476129 /nfs/dbraw/zinc/47/61/29/562476129.db2.gz BBILMEKZZQRCAP-NSHDSACASA-N -1 1 365.386 2.279 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCCO ZINC000541123715 562603730 /nfs/dbraw/zinc/60/37/30/562603730.db2.gz FRIQVJQRDUMBGK-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550101563 562642641 /nfs/dbraw/zinc/64/26/41/562642641.db2.gz PQJUUPDIHUYCBI-UHFFFAOYSA-N -1 1 357.326 2.185 20 5 FEBDMM COc1ncccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000570130769 568453092 /nfs/dbraw/zinc/45/30/92/568453092.db2.gz XKYYGGNTOUDVSL-UHFFFAOYSA-N -1 1 371.802 2.173 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cncc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000738375031 599062463 /nfs/dbraw/zinc/06/24/63/599062463.db2.gz YAEDCRCYCNGKGG-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cncc(Br)c2)c(-c2nn[n-]n2)c1 ZINC000738375031 599062465 /nfs/dbraw/zinc/06/24/65/599062465.db2.gz YAEDCRCYCNGKGG-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557355043 674446412 /nfs/dbraw/zinc/44/64/12/674446412.db2.gz FCQPIUJYLDODGJ-UHFFFAOYSA-N -1 1 361.339 2.079 20 5 FEBDMM CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000826044175 607451746 /nfs/dbraw/zinc/45/17/46/607451746.db2.gz AWHRMVBECYXHNB-UHFFFAOYSA-N -1 1 351.370 2.231 20 5 FEBDMM CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000826044175 607451748 /nfs/dbraw/zinc/45/17/48/607451748.db2.gz AWHRMVBECYXHNB-UHFFFAOYSA-N -1 1 351.370 2.231 20 5 FEBDMM COc1ccc(OCC[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000565601093 600981156 /nfs/dbraw/zinc/98/11/56/600981156.db2.gz SVDGNEYMEKNBJP-KRWDZBQOSA-N -1 1 372.377 2.494 20 5 FEBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000826051568 601201278 /nfs/dbraw/zinc/20/12/78/601201278.db2.gz CSLNQKCCUFATJJ-BZNIZROVSA-N -1 1 357.366 2.245 20 5 FEBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809843379 674515880 /nfs/dbraw/zinc/51/58/80/674515880.db2.gz LXOFMWJCOATRSA-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833639986 605176730 /nfs/dbraw/zinc/17/67/30/605176730.db2.gz SIIJVCFLQPLMEG-KANYHAFZSA-N -1 1 351.403 2.169 20 5 FEBDMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833383509 605366608 /nfs/dbraw/zinc/36/66/08/605366608.db2.gz UQKMGWXRYCRLJZ-CMPYXILNSA-N -1 1 361.398 2.006 20 5 FEBDMM O=C([O-])Nc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000834260859 605607543 /nfs/dbraw/zinc/60/75/43/605607543.db2.gz ZYOXSDKUPVPIPK-GFCCVEGCSA-N -1 1 358.358 2.161 20 5 FEBDMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000834288153 605780311 /nfs/dbraw/zinc/78/03/11/605780311.db2.gz UNKWXFIIJIRJSY-ABAIWWIYSA-N -1 1 363.370 2.295 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823619999 606710967 /nfs/dbraw/zinc/71/09/67/606710967.db2.gz FQULECBQDSMRAC-LDYMZIIASA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823619999 606710969 /nfs/dbraw/zinc/71/09/69/606710969.db2.gz FQULECBQDSMRAC-LDYMZIIASA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cccc2cccnc21 ZINC000823624529 607166523 /nfs/dbraw/zinc/16/65/23/607166523.db2.gz BSQMAZIHYXCLRS-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cccc2cccnc21 ZINC000823624529 607166524 /nfs/dbraw/zinc/16/65/24/607166524.db2.gz BSQMAZIHYXCLRS-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM CC(Nc1cccc([N+](=O)[O-])c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814345909 674832719 /nfs/dbraw/zinc/83/27/19/674832719.db2.gz ZCDSJCRABNFHFK-JLHYYAGUSA-N -1 1 362.411 2.180 20 5 FEBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022705 674899766 /nfs/dbraw/zinc/89/97/66/674899766.db2.gz WPKZWHFNZFPUKI-IUCAKERBSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCOC1 ZINC000815029299 674902336 /nfs/dbraw/zinc/90/23/36/674902336.db2.gz QYGGNGWALXOCLD-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM O=C([O-])c1ccnc(N2CCN(CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000565036963 675088835 /nfs/dbraw/zinc/08/88/35/675088835.db2.gz FSZVHIOJHVSLAL-UHFFFAOYSA-N -1 1 362.411 2.114 20 5 FEBDMM O=C(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Nc1ccccc1 ZINC000113302964 670883072 /nfs/dbraw/zinc/88/30/72/670883072.db2.gz IFULOHDLVMMRBB-UHFFFAOYSA-N -1 1 367.358 2.041 20 5 FEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000574711823 671270888 /nfs/dbraw/zinc/27/08/88/671270888.db2.gz CAARAWJZGGQUCR-UHFFFAOYSA-N -1 1 360.248 2.367 20 5 FEBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000579675344 671752175 /nfs/dbraw/zinc/75/21/75/671752175.db2.gz AKYPZAQTIYTAMK-ZDUSSCGKSA-N -1 1 362.411 2.239 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000610264577 675962798 /nfs/dbraw/zinc/96/27/98/675962798.db2.gz CQNRXDDUPLVIGA-UHFFFAOYSA-N -1 1 351.359 2.139 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000132328047 672096837 /nfs/dbraw/zinc/09/68/37/672096837.db2.gz INKXPUUDGNTPNX-UHFFFAOYSA-N -1 1 367.314 2.278 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000173978027 672356698 /nfs/dbraw/zinc/35/66/98/672356698.db2.gz ZVHGVUWRUXFPDB-ZDUSSCGKSA-N -1 1 354.359 2.400 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000591831313 672715215 /nfs/dbraw/zinc/71/52/15/672715215.db2.gz DOMBDWVQFWAZRZ-JTQLQIEISA-N -1 1 364.383 2.182 20 5 FEBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000263330050 672931363 /nfs/dbraw/zinc/93/13/63/672931363.db2.gz LHVVADHPNWXESV-VHSXEESVSA-N -1 1 355.778 2.229 20 5 FEBDMM CCOC(=O)C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000593791043 672991382 /nfs/dbraw/zinc/99/13/82/672991382.db2.gz SCDMOINSTOZKPU-NSHDSACASA-N -1 1 353.375 2.041 20 5 FEBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC000594747307 673127937 /nfs/dbraw/zinc/12/79/37/673127937.db2.gz VZTQQLMAANROHF-OAHLLOKOSA-N -1 1 363.395 2.428 20 5 FEBDMM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])ccn1 ZINC000594773941 673137864 /nfs/dbraw/zinc/13/78/64/673137864.db2.gz WHUPQQMOGAEVIP-LLVKDONJSA-N -1 1 366.399 2.041 20 5 FEBDMM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000462629619 673270268 /nfs/dbraw/zinc/27/02/68/673270268.db2.gz HVMMJPKXMYXWQK-JTQLQIEISA-N -1 1 372.424 2.411 20 5 FEBDMM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538284853 673431595 /nfs/dbraw/zinc/43/15/95/673431595.db2.gz IXCNKQZITXVGNR-HZMBPMFUSA-N -1 1 369.374 2.183 20 5 FEBDMM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734848332 673474685 /nfs/dbraw/zinc/47/46/85/673474685.db2.gz NKLGSLLVHUPDRF-CYBMUJFWSA-N -1 1 366.374 2.188 20 5 FEBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599245256 673647769 /nfs/dbraw/zinc/64/77/69/673647769.db2.gz RLIDEZYVMUMCGO-CQSZACIVSA-N -1 1 350.400 2.066 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000545387363 673765266 /nfs/dbraw/zinc/76/52/66/673765266.db2.gz FKFDFQDVFNRTOD-UHFFFAOYSA-N -1 1 370.427 2.280 20 5 FEBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000566367534 675208640 /nfs/dbraw/zinc/20/86/40/675208640.db2.gz FRKWFHMLPYXJCX-SCZZXKLOSA-N -1 1 360.313 2.500 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000603779064 675801458 /nfs/dbraw/zinc/80/14/58/675801458.db2.gz MFWQWYBTXIJXKZ-UHFFFAOYSA-N -1 1 365.367 2.363 20 5 FEBDMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832029972 680078640 /nfs/dbraw/zinc/07/86/40/680078640.db2.gz FVXPGBMMEYYAPO-SSDOTTSWSA-N -1 1 354.787 2.215 20 5 FEBDMM C[C@](CO)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000751272110 680164725 /nfs/dbraw/zinc/16/47/25/680164725.db2.gz GUFHOFJTPWYFJE-OAHLLOKOSA-N -1 1 370.814 2.434 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(CC)(CC)SC)c([N+](=O)[O-])n1 ZINC000754818369 680381881 /nfs/dbraw/zinc/38/18/81/680381881.db2.gz ZQLFXAPEKITCHL-UHFFFAOYSA-N -1 1 350.466 2.011 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000756396292 680476319 /nfs/dbraw/zinc/47/63/19/680476319.db2.gz VQXDNJNIFVJIPD-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM O=C(c1c([O-])cccc1Cl)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837213495 680569211 /nfs/dbraw/zinc/56/92/11/680569211.db2.gz YCRPVAMDWVCQAY-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000841571046 680900610 /nfs/dbraw/zinc/90/06/10/680900610.db2.gz CZYNTHXVUGWZJC-BDAKNGLRSA-N -1 1 366.798 2.217 20 5 FEBDMM CN(C)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000776530331 681399836 /nfs/dbraw/zinc/39/98/36/681399836.db2.gz AYJKVCGBVXJWHF-UHFFFAOYSA-N -1 1 371.396 2.221 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1(CO)CC1 ZINC000849433625 681732940 /nfs/dbraw/zinc/73/29/40/681732940.db2.gz OUXFKVMFYCHTEL-SSDOTTSWSA-N -1 1 369.226 2.341 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)cc1Cl ZINC000849469158 681751335 /nfs/dbraw/zinc/75/13/35/681751335.db2.gz QBNFYMBVPQXPAN-SECBINFHSA-N -1 1 366.798 2.074 20 5 FEBDMM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849473322 681753058 /nfs/dbraw/zinc/75/30/58/681753058.db2.gz FZAZJIYJJOIUOF-UHFFFAOYSA-N -1 1 356.429 2.136 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000851821553 682148367 /nfs/dbraw/zinc/14/83/67/682148367.db2.gz XSQLFUDKTVMPND-UHFFFAOYSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856979 682164860 /nfs/dbraw/zinc/16/48/60/682164860.db2.gz JLYUYJBKPXBDRP-BXUZGUMPSA-N -1 1 368.386 2.177 20 5 FEBDMM Cc1cc(C(=O)NCC(=O)Nc2nc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000789932193 682639156 /nfs/dbraw/zinc/63/91/56/682639156.db2.gz SWAWNDMCHZAZOV-UHFFFAOYSA-N -1 1 364.745 2.026 20 5 FEBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791167233 682725334 /nfs/dbraw/zinc/72/53/34/682725334.db2.gz GWSAPZUKMKADHH-JTQLQIEISA-N -1 1 357.395 2.369 20 5 FEBDMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859291962 683075125 /nfs/dbraw/zinc/07/51/25/683075125.db2.gz PPYXBDSVPNAIGC-UHLUBPPHSA-N -1 1 364.782 2.233 20 5 FEBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCCC1 ZINC000859354153 683091848 /nfs/dbraw/zinc/09/18/48/683091848.db2.gz SMCGSTZAXAZJTB-UHFFFAOYSA-N -1 1 364.782 2.425 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1F ZINC000866861281 684169860 /nfs/dbraw/zinc/16/98/60/684169860.db2.gz KGRVTEPGYUBFCN-FZZIBODNSA-N -1 1 358.391 2.134 20 5 FEBDMM O=C([O-])Cc1ccc(N[C@H]2CCCN3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000910387602 685046311 /nfs/dbraw/zinc/04/63/11/685046311.db2.gz XEGNMBOAEGHELL-WFASDCNBSA-N -1 1 351.428 2.214 20 5 FEBDMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007758212 539466217 /nfs/dbraw/zinc/46/62/17/539466217.db2.gz LDDYEQBUCHPMBX-UHFFFAOYSA-N -1 1 366.761 2.148 20 5 FEBDMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000016497416 539632693 /nfs/dbraw/zinc/63/26/93/539632693.db2.gz GQCMGEXPBGPTKT-UHFFFAOYSA-N -1 1 372.381 2.331 20 5 FEBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000549882755 674069126 /nfs/dbraw/zinc/06/91/26/674069126.db2.gz QMJQMOSVSDHCKJ-CQSZACIVSA-N -1 1 362.835 2.468 20 5 FEBDMM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026849911 539795123 /nfs/dbraw/zinc/79/51/23/539795123.db2.gz DXQYDDALKYIMSN-NSHDSACASA-N -1 1 370.818 2.338 20 5 FEBDMM COc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000029966566 539870937 /nfs/dbraw/zinc/87/09/37/539870937.db2.gz TUFKYOWXWBFWLW-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000032585313 539943474 /nfs/dbraw/zinc/94/34/74/539943474.db2.gz MQZOWUWYOXYOTL-UHFFFAOYSA-N -1 1 350.352 2.475 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000067073033 541414083 /nfs/dbraw/zinc/41/40/83/541414083.db2.gz CTTVLZCZAAYJEK-UHFFFAOYSA-N -1 1 365.415 2.411 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(F)c1 ZINC000071092175 541763492 /nfs/dbraw/zinc/76/34/92/541763492.db2.gz QXAXKZQJYAPKSU-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092290 541763792 /nfs/dbraw/zinc/76/37/92/541763792.db2.gz WDIRPFARAFWMDQ-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000802630375 674188773 /nfs/dbraw/zinc/18/87/73/674188773.db2.gz KRDOFKNYQIBAHR-RXMQYKEDSA-N -1 1 366.384 2.411 20 5 FEBDMM COC(=O)CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146494978 544439622 /nfs/dbraw/zinc/43/96/22/544439622.db2.gz FESKHOVABARNPS-UHFFFAOYSA-N -1 1 364.807 2.260 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186993975 327995907 /nfs/dbraw/zinc/99/59/07/327995907.db2.gz KYFVUXUQQXXBCH-OAHLLOKOSA-N -1 1 357.366 2.169 20 5 FEBDMM Cc1cc(C)n(-c2ccccc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000187189436 328007701 /nfs/dbraw/zinc/00/77/01/328007701.db2.gz KNKJAQCFEHAQTD-UHFFFAOYSA-N -1 1 367.365 2.428 20 5 FEBDMM CCc1cc(=O)[n-]c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000188118236 328067266 /nfs/dbraw/zinc/06/72/66/328067266.db2.gz CYHJBBQEWBVHST-ZDUSSCGKSA-N -1 1 360.395 2.138 20 5 FEBDMM O=C(NCc1ccc(O)c(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193730974 328392170 /nfs/dbraw/zinc/39/21/70/328392170.db2.gz RPSYYXHVZQTKND-UHFFFAOYSA-N -1 1 368.143 2.094 20 5 FEBDMM Cn1cc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000194027875 328407543 /nfs/dbraw/zinc/40/75/43/328407543.db2.gz VQXYUXAGAVDBMT-OAHLLOKOSA-N -1 1 371.328 2.087 20 5 FEBDMM Cc1ccc(-c2nsc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n2)s1 ZINC000119501130 326169545 /nfs/dbraw/zinc/16/95/45/326169545.db2.gz FOLXDPLHRGOZLV-UHFFFAOYSA-N -1 1 350.385 2.469 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167266688 327084460 /nfs/dbraw/zinc/08/44/60/327084460.db2.gz DBHHCJHFCAXATI-KMUNFCNLSA-N -1 1 370.402 2.360 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1COc2ccccc21 ZINC000167501107 327085368 /nfs/dbraw/zinc/08/53/68/327085368.db2.gz JBSDRPXGOBVSLV-MWLCHTKSSA-N -1 1 354.409 2.499 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000171208663 327124727 /nfs/dbraw/zinc/12/47/27/327124727.db2.gz CJXUNJKZPGYMAG-AWEZNQCLSA-N -1 1 365.292 2.187 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)s1 ZINC000171596208 327147449 /nfs/dbraw/zinc/14/74/49/327147449.db2.gz COQDEGREYGJCHV-UHFFFAOYSA-N -1 1 364.351 2.292 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])no1 ZINC000264143624 328994781 /nfs/dbraw/zinc/99/47/81/328994781.db2.gz BWGFMONGVYYANN-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM COc1cccc(N2CCC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000274964626 329997404 /nfs/dbraw/zinc/99/74/04/329997404.db2.gz LXTVDMJYHOBXMK-ZDUSSCGKSA-N -1 1 372.381 2.103 20 5 FEBDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000479437710 561189563 /nfs/dbraw/zinc/18/95/63/561189563.db2.gz LIFRWPNARZRYLH-UHFFFAOYSA-N -1 1 361.354 2.375 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Br)cn1 ZINC000481936699 561245891 /nfs/dbraw/zinc/24/58/91/561245891.db2.gz DKARXWIXSKAWLX-SSDOTTSWSA-N -1 1 367.159 2.344 20 5 FEBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1Oc1ccccc1 ZINC000483950103 561287549 /nfs/dbraw/zinc/28/75/49/561287549.db2.gz CKTUDDUDRLZUAQ-BZUAXINKSA-N -1 1 373.365 2.050 20 5 FEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000484254737 561294698 /nfs/dbraw/zinc/29/46/98/561294698.db2.gz GENHZFMWWUBZSS-GFCCVEGCSA-N -1 1 359.338 2.348 20 5 FEBDMM COC(=O)c1c[n-]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000484578615 561300505 /nfs/dbraw/zinc/30/05/05/561300505.db2.gz WDKAXFCYVVLRMP-UHFFFAOYSA-N -1 1 361.339 2.447 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185863888 548046787 /nfs/dbraw/zinc/04/67/87/548046787.db2.gz FNSFQIBUNLYXBD-VIFPVBQESA-N -1 1 354.388 2.315 20 5 FEBDMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246737413 549200438 /nfs/dbraw/zinc/20/04/38/549200438.db2.gz WGBRCMPGIOPKJX-QDXVKYEASA-N -1 1 366.486 2.014 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)c([N+](=O)[O-])n1 ZINC000490003408 561424393 /nfs/dbraw/zinc/42/43/93/561424393.db2.gz GDIVWMFNCKCKGS-UHFFFAOYSA-N -1 1 368.390 2.306 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000272400089 550444286 /nfs/dbraw/zinc/44/42/86/550444286.db2.gz JBKGEQPJWLKRFJ-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM Cc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c([N+](=O)[O-])c1 ZINC000273318839 550494442 /nfs/dbraw/zinc/49/44/42/550494442.db2.gz FMZSIDSDFBVUBT-CYBMUJFWSA-N -1 1 362.411 2.324 20 5 FEBDMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277972427 550734568 /nfs/dbraw/zinc/73/45/68/550734568.db2.gz FHAOAQCCRXJPHN-ZUZCIYMTSA-N -1 1 361.354 2.210 20 5 FEBDMM Cc1cccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000280195378 550969971 /nfs/dbraw/zinc/96/99/71/550969971.db2.gz BBUROGSHHIUIAS-UHFFFAOYSA-N -1 1 371.393 2.214 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000281861196 551149719 /nfs/dbraw/zinc/14/97/19/551149719.db2.gz BYADRVGWSRKJMV-ZDUSSCGKSA-N -1 1 358.391 2.362 20 5 FEBDMM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1)C(F)(F)F ZINC000281948436 551161345 /nfs/dbraw/zinc/16/13/45/551161345.db2.gz SBQYEYJXMDCGES-UHFFFAOYSA-N -1 1 373.291 2.026 20 5 FEBDMM Cc1cc(F)c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000282376217 551219776 /nfs/dbraw/zinc/21/97/76/551219776.db2.gz WAPFMGYKXXKZAO-UHFFFAOYSA-N -1 1 364.305 2.305 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282834522 551275933 /nfs/dbraw/zinc/27/59/33/551275933.db2.gz DRLAFGOLMYQOQB-VIFPVBQESA-N -1 1 373.394 2.241 20 5 FEBDMM Cc1c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000290306057 552457310 /nfs/dbraw/zinc/45/73/10/552457310.db2.gz GSJDROHYOOTBGX-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1csc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC000295356257 552992728 /nfs/dbraw/zinc/99/27/28/552992728.db2.gz KPODBPRITQZWET-QMMMGPOBSA-N -1 1 362.289 2.494 20 5 FEBDMM C[C@H](CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000295948054 553079750 /nfs/dbraw/zinc/07/97/50/553079750.db2.gz IJHQSDHEVJEBRP-SSDOTTSWSA-N -1 1 358.280 2.002 20 5 FEBDMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295992018 553085919 /nfs/dbraw/zinc/08/59/19/553085919.db2.gz LPRBCBPDYPWDNC-UHFFFAOYSA-N -1 1 358.807 2.191 20 5 FEBDMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1[N+](=O)[O-] ZINC000326192502 553779562 /nfs/dbraw/zinc/77/95/62/553779562.db2.gz NYZJAZATKLCKKZ-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000508091814 561751212 /nfs/dbraw/zinc/75/12/12/561751212.db2.gz AWEQOJWXVOKZLP-UHFFFAOYSA-N -1 1 360.779 2.153 20 5 FEBDMM Cn1c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2nc1C1CC1 ZINC000510675059 561843001 /nfs/dbraw/zinc/84/30/01/561843001.db2.gz NTASVPXABZGMBU-UHFFFAOYSA-N -1 1 367.365 2.390 20 5 FEBDMM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363984210 555227383 /nfs/dbraw/zinc/22/73/83/555227383.db2.gz RKDXTCNAVQNEQP-OAHLLOKOSA-N -1 1 367.377 2.022 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000365767100 555663514 /nfs/dbraw/zinc/66/35/14/555663514.db2.gz BAIRCKSBZXRDMI-GOSISDBHSA-N -1 1 355.350 2.357 20 5 FEBDMM CCc1n[nH]c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000369149439 556517138 /nfs/dbraw/zinc/51/71/38/556517138.db2.gz LERZLAZGLGMGNI-UHFFFAOYSA-N -1 1 372.381 2.321 20 5 FEBDMM CCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000369149439 556517139 /nfs/dbraw/zinc/51/71/39/556517139.db2.gz LERZLAZGLGMGNI-UHFFFAOYSA-N -1 1 372.381 2.321 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000416664046 559328573 /nfs/dbraw/zinc/32/85/73/559328573.db2.gz SQSIUECURNUJCS-NSHDSACASA-N -1 1 371.415 2.353 20 5 FEBDMM C[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000425286273 559694769 /nfs/dbraw/zinc/69/47/69/559694769.db2.gz AOGBHFFLHSVGPY-VHSXEESVSA-N -1 1 364.333 2.332 20 5 FEBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000432295270 559855664 /nfs/dbraw/zinc/85/56/64/559855664.db2.gz VPMMWQNQZCMFNU-HNNXBMFYSA-N -1 1 366.399 2.031 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000435799673 559930265 /nfs/dbraw/zinc/93/02/65/559930265.db2.gz MYYXQQKKARULAG-GFCCVEGCSA-N -1 1 352.416 2.111 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000443266865 560076878 /nfs/dbraw/zinc/07/68/78/560076878.db2.gz NXURSGPSSMVTPF-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM COc1ccccc1OC[C@@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445140811 560129699 /nfs/dbraw/zinc/12/96/99/560129699.db2.gz ZFMLZLNPFPEAEZ-NSHDSACASA-N -1 1 361.354 2.149 20 5 FEBDMM O=C(NCCc1nc(-c2ccncc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445188480 560130455 /nfs/dbraw/zinc/13/04/55/560130455.db2.gz UOXLTUQHNYABMJ-UHFFFAOYSA-N -1 1 371.378 2.186 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000468938697 560942796 /nfs/dbraw/zinc/94/27/96/560942796.db2.gz LPFATAGZTYIVJS-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000471121741 560998686 /nfs/dbraw/zinc/99/86/86/560998686.db2.gz SXJGHRFNSJUXKX-UHFFFAOYSA-N -1 1 360.294 2.388 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000532107837 562467153 /nfs/dbraw/zinc/46/71/53/562467153.db2.gz AAGSOWUVOSIHGY-LBPRGKRZSA-N -1 1 373.394 2.215 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854290 562490529 /nfs/dbraw/zinc/49/05/29/562490529.db2.gz RDIJPHMKQWMEJH-VXGBXAGGSA-N -1 1 352.416 2.282 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000537018618 562584132 /nfs/dbraw/zinc/58/41/32/562584132.db2.gz KAGZTDSDURNHMC-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000541999884 562625378 /nfs/dbraw/zinc/62/53/78/562625378.db2.gz BRGHDRBTYLBLQA-UHFFFAOYSA-N -1 1 350.352 2.339 20 5 FEBDMM O=Cc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000738314491 598955023 /nfs/dbraw/zinc/95/50/23/598955023.db2.gz UEDOLBUVAXIWJH-UHFFFAOYSA-N -1 1 363.293 2.323 20 5 FEBDMM Cc1occc1-c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822553457 599124332 /nfs/dbraw/zinc/12/43/32/599124332.db2.gz KUPLNNKHVTVMGT-UHFFFAOYSA-N -1 1 372.326 2.273 20 5 FEBDMM O=c1c(-c2nn[n-]n2)cn(Cc2csc([N+](=O)[O-])c2)c2ccccc12 ZINC000738371249 598504892 /nfs/dbraw/zinc/50/48/92/598504892.db2.gz HYBUHWLLNCPXMA-UHFFFAOYSA-N -1 1 354.351 2.200 20 5 FEBDMM CS(=O)(=O)[N-]c1ccc(Oc2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC000558036075 674480569 /nfs/dbraw/zinc/48/05/69/674480569.db2.gz WSLPLFKUTRUQID-UHFFFAOYSA-N -1 1 361.339 2.097 20 5 FEBDMM O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)cc1-c1nnn[n-]1 ZINC000826498878 607449333 /nfs/dbraw/zinc/44/93/33/607449333.db2.gz MZIYZNXAIFJWJJ-NSHDSACASA-N -1 1 354.326 2.027 20 5 FEBDMM O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)cc1-c1nn[n-]n1 ZINC000826498878 607449334 /nfs/dbraw/zinc/44/93/34/607449334.db2.gz MZIYZNXAIFJWJJ-NSHDSACASA-N -1 1 354.326 2.027 20 5 FEBDMM CN(C)C(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000825845402 607449922 /nfs/dbraw/zinc/44/99/22/607449922.db2.gz HSMXDCOROGEPKB-UHFFFAOYSA-N -1 1 367.369 2.089 20 5 FEBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000824656151 607451060 /nfs/dbraw/zinc/45/10/60/607451060.db2.gz ICNBWNDEPWAAQD-SNVBAGLBSA-N -1 1 353.342 2.214 20 5 FEBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000824656151 607451061 /nfs/dbraw/zinc/45/10/61/607451061.db2.gz ICNBWNDEPWAAQD-SNVBAGLBSA-N -1 1 353.342 2.214 20 5 FEBDMM CC(C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000826630631 600704936 /nfs/dbraw/zinc/70/49/36/600704936.db2.gz MASOQJBMFMBFIE-UHFFFAOYSA-N -1 1 357.171 2.043 20 5 FEBDMM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548260727 601992480 /nfs/dbraw/zinc/99/24/80/601992480.db2.gz PBXLBVNXMSGPMH-CMPLNLGQSA-N -1 1 374.390 2.436 20 5 FEBDMM Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832886384 602159066 /nfs/dbraw/zinc/15/90/66/602159066.db2.gz CKMAHMSCKYFEEI-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827109 674513631 /nfs/dbraw/zinc/51/36/31/674513631.db2.gz BYOIBUYQBABOSY-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000825264497 604217470 /nfs/dbraw/zinc/21/74/70/604217470.db2.gz KQYRHSZMZMSWAR-VXGBXAGGSA-N -1 1 365.386 2.329 20 5 FEBDMM COC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000831310437 604587522 /nfs/dbraw/zinc/58/75/22/604587522.db2.gz YCSPKCYCMPCXKV-UHFFFAOYSA-N -1 1 360.278 2.038 20 5 FEBDMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833639985 605176619 /nfs/dbraw/zinc/17/66/19/605176619.db2.gz SIIJVCFLQPLMEG-IETSOEAISA-N -1 1 351.403 2.169 20 5 FEBDMM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000834287786 605779014 /nfs/dbraw/zinc/77/90/14/605779014.db2.gz QSFXPLUYGPNYPQ-OAHLLOKOSA-N -1 1 363.370 2.295 20 5 FEBDMM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813588 606508116 /nfs/dbraw/zinc/50/81/16/606508116.db2.gz KETDPFDDCYGIJM-QMMMGPOBSA-N -1 1 356.367 2.428 20 5 FEBDMM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813588 606508118 /nfs/dbraw/zinc/50/81/18/606508118.db2.gz KETDPFDDCYGIJM-QMMMGPOBSA-N -1 1 356.367 2.428 20 5 FEBDMM CCN1CCc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc21 ZINC000821276331 606706586 /nfs/dbraw/zinc/70/65/86/606706586.db2.gz JHGCYJZZGCSDOR-UHFFFAOYSA-N -1 1 352.358 2.296 20 5 FEBDMM CCN1CCc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc21 ZINC000821276331 606706588 /nfs/dbraw/zinc/70/65/88/606706588.db2.gz JHGCYJZZGCSDOR-UHFFFAOYSA-N -1 1 352.358 2.296 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821983040 607024160 /nfs/dbraw/zinc/02/41/60/607024160.db2.gz CVYANXROSJJLBY-UHFFFAOYSA-N -1 1 363.384 2.206 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821983040 607024162 /nfs/dbraw/zinc/02/41/62/607024162.db2.gz CVYANXROSJJLBY-UHFFFAOYSA-N -1 1 363.384 2.206 20 5 FEBDMM O=C(Nc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1)C1CC1 ZINC000823367568 607165991 /nfs/dbraw/zinc/16/59/91/607165991.db2.gz KVGRQNUSTPYWIA-UHFFFAOYSA-N -1 1 366.341 2.262 20 5 FEBDMM O=C(Nc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1)C1CC1 ZINC000823367568 607165992 /nfs/dbraw/zinc/16/59/92/607165992.db2.gz KVGRQNUSTPYWIA-UHFFFAOYSA-N -1 1 366.341 2.262 20 5 FEBDMM O=[N+]([O-])c1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826498136 607821080 /nfs/dbraw/zinc/82/10/80/607821080.db2.gz IMYQKDFOVANTRV-UHFFFAOYSA-N -1 1 359.327 2.370 20 5 FEBDMM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826464004 608143806 /nfs/dbraw/zinc/14/38/06/608143806.db2.gz DOLKFIHCCPAQHU-UHFFFAOYSA-N -1 1 372.366 2.119 20 5 FEBDMM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826464004 608143807 /nfs/dbraw/zinc/14/38/07/608143807.db2.gz DOLKFIHCCPAQHU-UHFFFAOYSA-N -1 1 372.366 2.119 20 5 FEBDMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000576325948 671360540 /nfs/dbraw/zinc/36/05/40/671360540.db2.gz IOUOQNLBAYQDSG-UHFFFAOYSA-N -1 1 359.342 2.824 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000576434919 671368355 /nfs/dbraw/zinc/36/83/55/671368355.db2.gz DUUPSKIGXRZAAA-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM COc1ccccc1OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609196625 675913683 /nfs/dbraw/zinc/91/36/83/675913683.db2.gz PWTAAQKXHOPFAD-UHFFFAOYSA-N -1 1 372.424 2.412 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000579890367 671767876 /nfs/dbraw/zinc/76/78/76/671767876.db2.gz PZYRZOWWIHIRLR-KGLIPLIRSA-N -1 1 363.395 2.188 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)s1 ZINC000120920919 671938346 /nfs/dbraw/zinc/93/83/46/671938346.db2.gz RUJKJTYWDZEZTC-SNVBAGLBSA-N -1 1 362.816 2.322 20 5 FEBDMM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611021969 676011688 /nfs/dbraw/zinc/01/16/88/676011688.db2.gz NXTPINRKKYXEMJ-CMPLNLGQSA-N -1 1 356.425 2.099 20 5 FEBDMM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590165521 672563020 /nfs/dbraw/zinc/56/30/20/672563020.db2.gz CDTIIKLRXQMVCQ-ZETCQYMHSA-N -1 1 355.185 2.384 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(F)cc1[N+](=O)[O-] ZINC000590598293 672595553 /nfs/dbraw/zinc/59/55/53/672595553.db2.gz XLOBXXZZDMPRBY-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c(F)cc1[N+](=O)[O-] ZINC000590598293 672595560 /nfs/dbraw/zinc/59/55/60/672595560.db2.gz XLOBXXZZDMPRBY-UHFFFAOYSA-N -1 1 351.319 2.114 20 5 FEBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000194347163 672756948 /nfs/dbraw/zinc/75/69/48/672756948.db2.gz AXKWDHFLMDPYDX-UHFFFAOYSA-N -1 1 369.374 2.395 20 5 FEBDMM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000594490382 673093240 /nfs/dbraw/zinc/09/32/40/673093240.db2.gz TVGIAXJUMYILFF-SNVBAGLBSA-N -1 1 364.445 2.301 20 5 FEBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21 ZINC000594780483 673139906 /nfs/dbraw/zinc/13/99/06/673139906.db2.gz PDDPMKFZUVPPQN-CYBMUJFWSA-N -1 1 362.411 2.239 20 5 FEBDMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000594862293 673169294 /nfs/dbraw/zinc/16/92/94/673169294.db2.gz ALYBLTHMAIHRSU-OLZOCXBDSA-N -1 1 369.443 2.394 20 5 FEBDMM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381474 673238556 /nfs/dbraw/zinc/23/85/56/673238556.db2.gz LZRGPKJUYQLQHQ-JQWIXIFHSA-N -1 1 356.425 2.099 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)s1 ZINC000595394154 673241168 /nfs/dbraw/zinc/24/11/68/673241168.db2.gz FAEQHAQBPFCDCB-ZDUSSCGKSA-N -1 1 367.452 2.209 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000731040535 673299043 /nfs/dbraw/zinc/29/90/43/673299043.db2.gz YDNJPZLBMRKZNF-UHFFFAOYSA-N -1 1 371.302 2.452 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000735316672 673490750 /nfs/dbraw/zinc/49/07/50/673490750.db2.gz KHXDIPGBMLSCQM-UHFFFAOYSA-N -1 1 350.371 2.427 20 5 FEBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000539949636 673515467 /nfs/dbraw/zinc/51/54/67/673515467.db2.gz CMAXZICTKPBGAV-CYZMBNFOSA-N -1 1 357.432 2.108 20 5 FEBDMM Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000742231456 673714872 /nfs/dbraw/zinc/71/48/72/673714872.db2.gz HXBHICXKRJOAKQ-UHFFFAOYSA-N -1 1 371.758 2.329 20 5 FEBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)n1 ZINC000600667632 673789577 /nfs/dbraw/zinc/78/95/77/673789577.db2.gz FWKXOZXHYABWBQ-UHFFFAOYSA-N -1 1 368.419 2.290 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000547868642 673894771 /nfs/dbraw/zinc/89/47/71/673894771.db2.gz AYONXYAKQYZVBU-UHFFFAOYSA-N -1 1 364.335 2.124 20 5 FEBDMM C[C@@H]1CC[C@@](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000548556946 673971248 /nfs/dbraw/zinc/97/12/48/673971248.db2.gz QWQTUZYWKQELAG-BMIGLBTASA-N -1 1 374.390 2.293 20 5 FEBDMM CCO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000566657954 675232407 /nfs/dbraw/zinc/23/24/07/675232407.db2.gz ADEFNYXSCBSIJV-ZDUSSCGKSA-N -1 1 351.384 2.046 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000603424912 675799148 /nfs/dbraw/zinc/79/91/48/675799148.db2.gz UBBCILDWSNNLGH-RXMQYKEDSA-N -1 1 359.148 2.289 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)s1 ZINC000618179865 676323368 /nfs/dbraw/zinc/32/33/68/676323368.db2.gz CODPPLWJXRUSON-NSHDSACASA-N -1 1 354.409 2.198 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872382 676398022 /nfs/dbraw/zinc/39/80/22/676398022.db2.gz AZRXRZCFDHNZCA-UHFFFAOYSA-N -1 1 366.761 2.286 20 5 FEBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763396147 680782046 /nfs/dbraw/zinc/78/20/46/680782046.db2.gz AAEGIQBXDHTWQP-VIFPVBQESA-N -1 1 364.807 2.114 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c1Cl ZINC000830939861 679898015 /nfs/dbraw/zinc/89/80/15/679898015.db2.gz GPOTXCXWKKEQDG-ZKCHVHJHSA-N -1 1 369.226 2.483 20 5 FEBDMM C[C@H](O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831307779 679964112 /nfs/dbraw/zinc/96/41/12/679964112.db2.gz FOPLHXJGGGMOIY-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832511487 680142155 /nfs/dbraw/zinc/14/21/55/680142155.db2.gz YXBZWBDOLAXTSP-LLVKDONJSA-N -1 1 352.771 2.091 20 5 FEBDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000832524450 680143947 /nfs/dbraw/zinc/14/39/47/680143947.db2.gz OJKPSBLAFOHJKZ-UHLUBPPHSA-N -1 1 366.798 2.479 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CSCCS1 ZINC000754242584 680344811 /nfs/dbraw/zinc/34/48/11/680344811.db2.gz YYMZXOITAPELGN-SECBINFHSA-N -1 1 368.889 2.375 20 5 FEBDMM CC(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757723455 680533557 /nfs/dbraw/zinc/53/35/57/680533557.db2.gz DNLQDXUEMRXNJG-UHFFFAOYSA-N -1 1 355.185 2.431 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc([N+](=O)[O-])c1F ZINC000768266218 680942311 /nfs/dbraw/zinc/94/23/11/680942311.db2.gz NNGJOHWNTKBDQB-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000773572656 681148937 /nfs/dbraw/zinc/14/89/37/681148937.db2.gz KHYRIOFDOWFHNK-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845966726 681166468 /nfs/dbraw/zinc/16/64/68/681166468.db2.gz CAXHWWWPMCEADR-KWQFWETISA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845980817 681168972 /nfs/dbraw/zinc/16/89/72/681168972.db2.gz QVGLZNZEACHLAX-ZBEGNZNMSA-N -1 1 368.386 2.308 20 5 FEBDMM O=C([N-]Cc1nc(C2CC2)no1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581074 681582125 /nfs/dbraw/zinc/58/21/25/681582125.db2.gz LHTORVFWWQVOTF-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM CO[C@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000848583169 681582680 /nfs/dbraw/zinc/58/26/80/681582680.db2.gz PDXMAVJAMAMSHN-SECBINFHSA-N -1 1 358.219 2.260 20 5 FEBDMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067572 681789405 /nfs/dbraw/zinc/78/94/05/681789405.db2.gz HVPKRMSPQDSLRL-NHYWBVRUSA-N -1 1 350.371 2.494 20 5 FEBDMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067567 681789533 /nfs/dbraw/zinc/78/95/33/681789533.db2.gz HVPKRMSPQDSLRL-ABAIWWIYSA-N -1 1 350.371 2.494 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000784474496 682230830 /nfs/dbraw/zinc/23/08/30/682230830.db2.gz IMQPKUPRRMEBFU-SNVBAGLBSA-N -1 1 374.296 2.424 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(Cl)cc1Cl ZINC000786977532 682426398 /nfs/dbraw/zinc/42/63/98/682426398.db2.gz DODZEZHLCHSUKY-MWLCHTKSSA-N -1 1 369.226 2.483 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCC2)c(Cl)cc1Cl ZINC000791421390 682742158 /nfs/dbraw/zinc/74/21/58/682742158.db2.gz KLAZDIMIIXMKCP-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM O=C([N-]CC1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1)C(F)(F)F ZINC000866294897 684090116 /nfs/dbraw/zinc/09/01/16/684090116.db2.gz XLOLANBFWIRONM-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM O=C([O-])Cc1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000910387599 685046237 /nfs/dbraw/zinc/04/62/37/685046237.db2.gz XEGNMBOAEGHELL-IUODEOHRSA-N -1 1 351.428 2.214 20 5 FEBDMM COCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008054922 539475825 /nfs/dbraw/zinc/47/58/25/539475825.db2.gz SMFPHJXHFDVLQE-UHFFFAOYSA-N -1 1 351.384 2.454 20 5 FEBDMM CCOCCC1(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCCC1 ZINC000549915193 674071020 /nfs/dbraw/zinc/07/10/20/674071020.db2.gz ARNHVOLKLIFTKA-UHFFFAOYSA-N -1 1 374.463 2.077 20 5 FEBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1CO ZINC000054040888 540565635 /nfs/dbraw/zinc/56/56/35/540565635.db2.gz FMSJKCYWLVFFEB-UHFFFAOYSA-N -1 1 352.368 2.287 20 5 FEBDMM COc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064244526 541197028 /nfs/dbraw/zinc/19/70/28/541197028.db2.gz BMKURYVOYVKOSC-UHFFFAOYSA-N -1 1 358.397 2.022 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)s1 ZINC000064245018 541196590 /nfs/dbraw/zinc/19/65/90/541196590.db2.gz XHVTWXUJVFWTFI-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM CCn1c(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]c1=S ZINC000078543044 542467183 /nfs/dbraw/zinc/46/71/83/542467183.db2.gz SADGCXMIDWXFTK-UHFFFAOYSA-N -1 1 355.807 2.495 20 5 FEBDMM O=C(NCc1cccc(OCC(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102482415 543071297 /nfs/dbraw/zinc/07/12/97/543071297.db2.gz PSCUZDOKPJMIGO-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM CC1(C)CC[C@@](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000552000665 674180671 /nfs/dbraw/zinc/18/06/71/674180671.db2.gz LTQNIQYOGZUGQB-AWEZNQCLSA-N -1 1 360.363 2.046 20 5 FEBDMM O=C(NCc1cccc(OCC(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187064306 327999936 /nfs/dbraw/zinc/99/99/36/327999936.db2.gz HISOZLBRTQYLBX-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM C[C@H](O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccccc1 ZINC000191791762 328282180 /nfs/dbraw/zinc/28/21/80/328282180.db2.gz BVVVITCMXDDPSP-KPZWWZAWSA-N -1 1 359.382 2.055 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000192005659 328293455 /nfs/dbraw/zinc/29/34/55/328293455.db2.gz JGVLYRLDLDOBAL-GFCCVEGCSA-N -1 1 354.384 2.471 20 5 FEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000087335652 325280179 /nfs/dbraw/zinc/28/01/79/325280179.db2.gz MUHSRUISGPKPIR-UHFFFAOYSA-N -1 1 361.427 2.475 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(Cc2ccccc2)no1 ZINC000176220241 327441557 /nfs/dbraw/zinc/44/15/57/327441557.db2.gz HLMPICQKZNGXMU-JTQLQIEISA-N -1 1 369.337 2.160 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000275017958 330002580 /nfs/dbraw/zinc/00/25/80/330002580.db2.gz RCELFPDDDHUZDW-NSHDSACASA-N -1 1 370.365 2.313 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281828363 330177752 /nfs/dbraw/zinc/17/77/52/330177752.db2.gz WFHNCBFOEDKMEB-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n[nH]1 ZINC000179476129 546961860 /nfs/dbraw/zinc/96/18/60/546961860.db2.gz OLZHOLZEPTWBDR-HNNXBMFYSA-N -1 1 353.338 2.246 20 5 FEBDMM Cc1nn(C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)c1[N+](=O)[O-] ZINC000182123742 547441408 /nfs/dbraw/zinc/44/14/08/547441408.db2.gz AHBMBALFFHTAJH-UHFFFAOYSA-N -1 1 350.385 2.469 20 5 FEBDMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182632820 547524576 /nfs/dbraw/zinc/52/45/76/547524576.db2.gz ZFCTWQXNPUHYHP-ZIAGYGMSSA-N -1 1 365.292 2.234 20 5 FEBDMM Cc1cccc(NC(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000484251426 561294638 /nfs/dbraw/zinc/29/46/38/561294638.db2.gz CTOIEKKIOPLOMM-UHFFFAOYSA-N -1 1 358.354 2.023 20 5 FEBDMM O=c1cc(/C=C\c2ccc(Br)cc2[N+](=O)[O-])nc2nc[n-]n21 ZINC000486190270 561340471 /nfs/dbraw/zinc/34/04/71/561340471.db2.gz AYOVWLGOMUCEKE-RQOWECAXSA-N -1 1 362.143 2.259 20 5 FEBDMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000192764978 548372641 /nfs/dbraw/zinc/37/26/41/548372641.db2.gz CRISGPLTZOZDHE-UHFFFAOYSA-N -1 1 361.383 2.294 20 5 FEBDMM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488725351 561395349 /nfs/dbraw/zinc/39/53/49/561395349.db2.gz LWBKZESJRIENMV-MRVPVSSYSA-N -1 1 367.221 2.061 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000268487539 550074847 /nfs/dbraw/zinc/07/48/47/550074847.db2.gz NCWDQKSDGVSYMA-UHFFFAOYSA-N -1 1 370.362 2.152 20 5 FEBDMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274888170 550562734 /nfs/dbraw/zinc/56/27/34/550562734.db2.gz KZOQZORLCMJASS-UHFFFAOYSA-N -1 1 370.365 2.364 20 5 FEBDMM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288227529 552114503 /nfs/dbraw/zinc/11/45/03/552114503.db2.gz PSURMPXPMIPBMD-SNVBAGLBSA-N -1 1 372.385 2.162 20 5 FEBDMM COc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288634745 552189333 /nfs/dbraw/zinc/18/93/33/552189333.db2.gz OINMWPMIHCWYCS-LLVKDONJSA-N -1 1 354.306 2.223 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c1Cl ZINC000289111966 552267830 /nfs/dbraw/zinc/26/78/30/552267830.db2.gz JVCJMXCITVDUPR-XCBNKYQSSA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290817261 552543308 /nfs/dbraw/zinc/54/33/08/552543308.db2.gz SRZNUBGEIAUXAC-HTQZYQBOSA-N -1 1 354.787 2.073 20 5 FEBDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000326685991 553782608 /nfs/dbraw/zinc/78/26/08/553782608.db2.gz PCHXUZXRHFGBHG-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000327360383 553787887 /nfs/dbraw/zinc/78/78/87/553787887.db2.gz WVRGJHPPHOLNAV-UHFFFAOYSA-N -1 1 366.351 2.244 20 5 FEBDMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c1 ZINC000350914195 554821868 /nfs/dbraw/zinc/82/18/68/554821868.db2.gz GVECELZCMZVTRH-UHFFFAOYSA-N -1 1 358.314 2.018 20 5 FEBDMM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363984209 555227596 /nfs/dbraw/zinc/22/75/96/555227596.db2.gz RKDXTCNAVQNEQP-HNNXBMFYSA-N -1 1 367.377 2.022 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513798166 561950276 /nfs/dbraw/zinc/95/02/76/561950276.db2.gz VSNYLGDXFHALPP-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM O=C(NCc1ccsc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000514017827 561958177 /nfs/dbraw/zinc/95/81/77/561958177.db2.gz LUZXRAYQCQBWKP-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367556390 556081742 /nfs/dbraw/zinc/08/17/42/556081742.db2.gz YAAMSRRIMVKBFA-GUYCJALGSA-N -1 1 370.409 2.336 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000368422474 556304125 /nfs/dbraw/zinc/30/41/25/556304125.db2.gz OTZMHVDHMGGEIS-LBPRGKRZSA-N -1 1 357.322 2.401 20 5 FEBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000375161277 557985549 /nfs/dbraw/zinc/98/55/49/557985549.db2.gz SEFKKFJAANNMQX-KGLIPLIRSA-N -1 1 358.402 2.083 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c(C)cc1[N+](=O)[O-] ZINC000414368023 559158831 /nfs/dbraw/zinc/15/88/31/559158831.db2.gz BHZGJVJDJZNBBX-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000416538751 559320454 /nfs/dbraw/zinc/32/04/54/559320454.db2.gz BQNAFZNGWJBRBD-UHFFFAOYSA-N -1 1 373.822 2.142 20 5 FEBDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000432288246 559855589 /nfs/dbraw/zinc/85/55/89/559855589.db2.gz XTWOXPWZHLMJEU-OAHLLOKOSA-N -1 1 366.399 2.198 20 5 FEBDMM Cc1nc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])sc1C ZINC000434947206 559913094 /nfs/dbraw/zinc/91/30/94/559913094.db2.gz NJCRRZNSTLBNQF-UHFFFAOYSA-N -1 1 356.429 2.059 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000435587611 559925576 /nfs/dbraw/zinc/92/55/76/559925576.db2.gz FERCSFPJPQXJGB-JOCQHMNTSA-N -1 1 350.400 2.036 20 5 FEBDMM O=C(c1cc(F)ccc1[O-])N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000436771502 559951434 /nfs/dbraw/zinc/95/14/34/559951434.db2.gz WEGWVVHVWZCKEY-UHFFFAOYSA-N -1 1 373.340 2.038 20 5 FEBDMM COC(=O)c1cc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000436785190 559952111 /nfs/dbraw/zinc/95/21/11/559952111.db2.gz DIKYZAJBSBPAAA-UHFFFAOYSA-N -1 1 373.321 2.298 20 5 FEBDMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436882035 559955128 /nfs/dbraw/zinc/95/51/28/559955128.db2.gz WQZLWNVNZZKEFZ-UHFFFAOYSA-N -1 1 352.324 2.009 20 5 FEBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000447751907 560168418 /nfs/dbraw/zinc/16/84/18/560168418.db2.gz TYGUQGAGBCXXQB-OAHLLOKOSA-N -1 1 364.379 2.178 20 5 FEBDMM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451691547 560322221 /nfs/dbraw/zinc/32/22/21/560322221.db2.gz CMFBEYGOFNVLDW-ZJUUUORDSA-N -1 1 362.429 2.057 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])n1 ZINC000532855413 562490603 /nfs/dbraw/zinc/49/06/03/562490603.db2.gz SFSCBNRZUMLHNE-SNVBAGLBSA-N -1 1 356.404 2.012 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3ccccc3C)CC2)c([N+](=O)[O-])n1 ZINC000532855398 562490801 /nfs/dbraw/zinc/49/08/01/562490801.db2.gz SZGFEZOVKLRDHA-UHFFFAOYSA-N -1 1 364.427 2.130 20 5 FEBDMM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000535738082 562566098 /nfs/dbraw/zinc/56/60/98/562566098.db2.gz WSYLZJJRJOEAQG-UHFFFAOYSA-N -1 1 370.456 2.265 20 5 FEBDMM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540932751 562597442 /nfs/dbraw/zinc/59/74/42/562597442.db2.gz JBQXFIJTIQRNJG-UHFFFAOYSA-N -1 1 357.301 2.155 20 5 FEBDMM O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540932751 562597443 /nfs/dbraw/zinc/59/74/43/562597443.db2.gz JBQXFIJTIQRNJG-UHFFFAOYSA-N -1 1 357.301 2.155 20 5 FEBDMM O=C(Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000738173747 598499155 /nfs/dbraw/zinc/49/91/55/598499155.db2.gz DYYKEZVIGQSTHB-UHFFFAOYSA-N -1 1 367.325 2.311 20 5 FEBDMM O=C(Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C1CC1 ZINC000738173747 598499156 /nfs/dbraw/zinc/49/91/56/598499156.db2.gz DYYKEZVIGQSTHB-UHFFFAOYSA-N -1 1 367.325 2.311 20 5 FEBDMM C[C@@H]1CCN(c2cc(N3CC[C@H](C)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820728643 599513040 /nfs/dbraw/zinc/51/30/40/599513040.db2.gz XQAHCDJBVXUAGE-NWDGAFQWSA-N -1 1 357.418 2.467 20 5 FEBDMM C[C@@H]1CCN(c2cc(N3CC[C@H](C)C3)cc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820728643 599513041 /nfs/dbraw/zinc/51/30/41/599513041.db2.gz XQAHCDJBVXUAGE-NWDGAFQWSA-N -1 1 357.418 2.467 20 5 FEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCOCC1 ZINC000826226538 607451806 /nfs/dbraw/zinc/45/18/06/607451806.db2.gz BKDUGOMQBRWTTI-UHFFFAOYSA-N -1 1 350.404 2.099 20 5 FEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCOCC1 ZINC000826226538 607451808 /nfs/dbraw/zinc/45/18/08/607451808.db2.gz BKDUGOMQBRWTTI-UHFFFAOYSA-N -1 1 350.404 2.099 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C ZINC000832904872 601784740 /nfs/dbraw/zinc/78/47/40/601784740.db2.gz DVOMUMSNXKFQNI-UHFFFAOYSA-N -1 1 353.356 2.049 20 5 FEBDMM CCOC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825164 674513458 /nfs/dbraw/zinc/51/34/58/674513458.db2.gz ZUDDHHUOPCOQIY-UHFFFAOYSA-N -1 1 371.198 2.133 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ncccc2F)cc1Cl ZINC000809828524 674513839 /nfs/dbraw/zinc/51/38/39/674513839.db2.gz MJUKQOVIRNSEEY-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809816258 674511932 /nfs/dbraw/zinc/51/19/32/674511932.db2.gz FPGOOPMDMZHOJT-GFCCVEGCSA-N -1 1 352.771 2.092 20 5 FEBDMM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833194 674514517 /nfs/dbraw/zinc/51/45/17/674514517.db2.gz YIEZPSSUIPDQEE-KRTXAFLBSA-N -1 1 352.771 2.233 20 5 FEBDMM CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(NC(=O)[O-])CC1 ZINC000828350390 603786236 /nfs/dbraw/zinc/78/62/36/603786236.db2.gz GFWLHRDJVQJKSC-UHFFFAOYSA-N -1 1 365.386 2.472 20 5 FEBDMM C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567934 604807555 /nfs/dbraw/zinc/80/75/55/604807555.db2.gz ASJOLZXGPUOYMX-YMTOWFKASA-N -1 1 360.363 2.046 20 5 FEBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000834177449 605325141 /nfs/dbraw/zinc/32/51/41/605325141.db2.gz BNAQSIFHWBJTIQ-NWANDNLSSA-N -1 1 359.386 2.270 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1nnn[n-]1 ZINC000822167807 606237104 /nfs/dbraw/zinc/23/71/04/606237104.db2.gz ISPUKRZUZSYQGB-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1nn[n-]n1 ZINC000822167807 606237105 /nfs/dbraw/zinc/23/71/05/606237105.db2.gz ISPUKRZUZSYQGB-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM COc1ccc(Cl)cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821827854 606698335 /nfs/dbraw/zinc/69/83/35/606698335.db2.gz KVNXZITYUPFDBQ-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM COc1ccc(Cl)cc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821827854 606698337 /nfs/dbraw/zinc/69/83/37/606698337.db2.gz KVNXZITYUPFDBQ-UHFFFAOYSA-N -1 1 361.749 2.444 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCc2ccccc2N1 ZINC000823620199 606707142 /nfs/dbraw/zinc/70/71/42/606707142.db2.gz IEMMJBBIUXJFOK-LLVKDONJSA-N -1 1 352.358 2.009 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCc2ccccc2N1 ZINC000823620199 606707144 /nfs/dbraw/zinc/70/71/44/606707144.db2.gz IEMMJBBIUXJFOK-LLVKDONJSA-N -1 1 352.358 2.009 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCc2ccccc2C1 ZINC000823619989 606711430 /nfs/dbraw/zinc/71/14/30/606711430.db2.gz FGSSGBWINSNVBR-NSHDSACASA-N -1 1 351.370 2.387 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCc2ccccc2C1 ZINC000823619989 606711432 /nfs/dbraw/zinc/71/14/32/606711432.db2.gz FGSSGBWINSNVBR-NSHDSACASA-N -1 1 351.370 2.387 20 5 FEBDMM CC(=O)Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(F)c1 ZINC000819818173 606712871 /nfs/dbraw/zinc/71/28/71/606712871.db2.gz RQMPMNKHYARTGG-UHFFFAOYSA-N -1 1 359.277 2.060 20 5 FEBDMM CC(=O)Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(F)c1 ZINC000819818173 606712872 /nfs/dbraw/zinc/71/28/72/606712872.db2.gz RQMPMNKHYARTGG-UHFFFAOYSA-N -1 1 359.277 2.060 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc2ccccc2s1 ZINC000823625126 607163514 /nfs/dbraw/zinc/16/35/14/607163514.db2.gz PWCJRVDKYZAIRN-UHFFFAOYSA-N -1 1 354.355 2.392 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc2ccccc2s1 ZINC000823625126 607163515 /nfs/dbraw/zinc/16/35/15/607163515.db2.gz PWCJRVDKYZAIRN-UHFFFAOYSA-N -1 1 354.355 2.392 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cn2cc(Cl)ccc2n1 ZINC000823624754 607166533 /nfs/dbraw/zinc/16/65/33/607166533.db2.gz IIHQYFJJGPIVAC-UHFFFAOYSA-N -1 1 371.748 2.083 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cn2cc(Cl)ccc2n1 ZINC000823624754 607166534 /nfs/dbraw/zinc/16/65/34/607166534.db2.gz IIHQYFJJGPIVAC-UHFFFAOYSA-N -1 1 371.748 2.083 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000826499844 607937814 /nfs/dbraw/zinc/93/78/14/607937814.db2.gz AJTDAJNAVBZNEE-UHFFFAOYSA-N -1 1 357.761 2.386 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000826499844 607937815 /nfs/dbraw/zinc/93/78/15/607937815.db2.gz AJTDAJNAVBZNEE-UHFFFAOYSA-N -1 1 357.761 2.386 20 5 FEBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000561590477 674682714 /nfs/dbraw/zinc/68/27/14/674682714.db2.gz FOSXYXAEGZDILP-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000814988972 674893337 /nfs/dbraw/zinc/89/33/37/674893337.db2.gz ACGDWLJRQZDXAS-UHFFFAOYSA-N -1 1 365.814 2.152 20 5 FEBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017631 674897912 /nfs/dbraw/zinc/89/79/12/674897912.db2.gz QUGNRUWKKINSQU-LBPRGKRZSA-N -1 1 368.814 2.463 20 5 FEBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017667 674898038 /nfs/dbraw/zinc/89/80/38/674898038.db2.gz RZYJRDYVAXSGOG-AMIZOPFISA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044354 674906418 /nfs/dbraw/zinc/90/64/18/674906418.db2.gz BYQZONOMYWTDJG-BDAKNGLRSA-N -1 1 366.798 2.338 20 5 FEBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000815052086 674907359 /nfs/dbraw/zinc/90/73/59/674907359.db2.gz CDBQNMFLSAOJEC-ZDUSSCGKSA-N -1 1 371.440 2.089 20 5 FEBDMM CC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000815066104 674909863 /nfs/dbraw/zinc/90/98/63/674909863.db2.gz DYMAYWYIGAEWKJ-UHFFFAOYSA-N -1 1 359.148 2.291 20 5 FEBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815095717 674917280 /nfs/dbraw/zinc/91/72/80/674917280.db2.gz XZPKBJSPIGOIOA-OQPBUACISA-N -1 1 366.798 2.217 20 5 FEBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063878246 670412292 /nfs/dbraw/zinc/41/22/92/670412292.db2.gz HJMDYPLNOOLCCU-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)s1 ZINC000066871573 670448868 /nfs/dbraw/zinc/44/88/68/670448868.db2.gz WJUHVEBSMGTHAF-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000609219207 675914435 /nfs/dbraw/zinc/91/44/35/675914435.db2.gz TVMUESHZADFQGF-UHFFFAOYSA-N -1 1 370.314 2.027 20 5 FEBDMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609541832 675925458 /nfs/dbraw/zinc/92/54/58/675925458.db2.gz UBMKZZONCMOZON-JTQLQIEISA-N -1 1 364.807 2.114 20 5 FEBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F ZINC000610259661 675961449 /nfs/dbraw/zinc/96/14/49/675961449.db2.gz JDGRBHOPOSFNAY-VIFPVBQESA-N -1 1 355.347 2.177 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610262699 675962237 /nfs/dbraw/zinc/96/22/37/675962237.db2.gz NANJPQOTCJIZFF-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM CCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714071 675991276 /nfs/dbraw/zinc/99/12/76/675991276.db2.gz JNHWLDYLNDQEDX-WPRPVWTQSA-N -1 1 368.781 2.186 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2OC)c([N+](=O)[O-])n1 ZINC000611105417 676017581 /nfs/dbraw/zinc/01/75/81/676017581.db2.gz LMGPRPVMVQAKIN-UHFFFAOYSA-N -1 1 368.415 2.033 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000611105352 676017709 /nfs/dbraw/zinc/01/77/09/676017709.db2.gz AICAXGSMIPPFKP-UHFFFAOYSA-N -1 1 366.443 2.376 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000594724882 673124019 /nfs/dbraw/zinc/12/40/19/673124019.db2.gz ZXQRDZKCARCEJW-OCCSQVGLSA-N -1 1 358.416 2.005 20 5 FEBDMM CCOCc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744867 673127435 /nfs/dbraw/zinc/12/74/35/673127435.db2.gz CFHFMAUORXRVSA-UHFFFAOYSA-N -1 1 351.384 2.005 20 5 FEBDMM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768325 673135969 /nfs/dbraw/zinc/13/59/69/673135969.db2.gz JYNPQVHLCLPKEJ-NSHDSACASA-N -1 1 367.431 2.289 20 5 FEBDMM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820064165 675333729 /nfs/dbraw/zinc/33/37/29/675333729.db2.gz TWZWWHAHCYYRJN-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000619507817 676382665 /nfs/dbraw/zinc/38/26/65/676382665.db2.gz XCSUJDRCUUYQIE-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000765143466 680832428 /nfs/dbraw/zinc/83/24/28/680832428.db2.gz NKFUYEKUNVYUGQ-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)cc1Cl ZINC000832580521 680152329 /nfs/dbraw/zinc/15/23/29/680152329.db2.gz SUNRDRDLDNSGHO-SECBINFHSA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751403443 680171762 /nfs/dbraw/zinc/17/17/62/680171762.db2.gz JVSLTPMZFJWZRZ-BXUZGUMPSA-N -1 1 368.386 2.177 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000751422966 680173201 /nfs/dbraw/zinc/17/32/01/680173201.db2.gz LWAQETVUWZIVHT-UHFFFAOYSA-N -1 1 354.359 2.351 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1cccc(F)c1 ZINC000751486355 680182182 /nfs/dbraw/zinc/18/21/82/680182182.db2.gz JXLJAOUARVSHFF-SDBXPKJASA-N -1 1 360.388 2.196 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)co1 ZINC000756533145 680483569 /nfs/dbraw/zinc/48/35/69/680483569.db2.gz QPZJPJITCKRCER-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(F)c1 ZINC000758442841 680580361 /nfs/dbraw/zinc/58/03/61/680580361.db2.gz ZOHULGKYFNWNQK-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cc1[N+](=O)[O-] ZINC000760321843 680682940 /nfs/dbraw/zinc/68/29/40/680682940.db2.gz JMQSTDIUDNCUAO-UHFFFAOYSA-N -1 1 352.372 2.313 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2ccncc2)n1 ZINC000768863679 680962269 /nfs/dbraw/zinc/96/22/69/680962269.db2.gz XCOBXQKGMILPEK-UHFFFAOYSA-N -1 1 365.396 2.346 20 5 FEBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000768883099 680963341 /nfs/dbraw/zinc/96/33/41/680963341.db2.gz UQFICFSYMKJGGL-UHFFFAOYSA-N -1 1 360.344 2.383 20 5 FEBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845966724 681166480 /nfs/dbraw/zinc/16/64/80/681166480.db2.gz CAXHWWWPMCEADR-GZMMTYOYSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2(CO)CCC2)cc1Cl ZINC000846018342 681173912 /nfs/dbraw/zinc/17/39/12/681173912.db2.gz IBEGHYSZAIZONG-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000849370871 681698307 /nfs/dbraw/zinc/69/83/07/681698307.db2.gz NPPVZROXEADVFF-UHFFFAOYSA-N -1 1 351.384 2.256 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000784487401 682232634 /nfs/dbraw/zinc/23/26/34/682232634.db2.gz RLPHYMFUHGEAFF-KGLIPLIRSA-N -1 1 360.819 2.484 20 5 FEBDMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000789738160 682628369 /nfs/dbraw/zinc/62/83/69/682628369.db2.gz RPBMLHRQKKWQFM-UHFFFAOYSA-N -1 1 374.806 2.466 20 5 FEBDMM Cc1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000790892030 682710410 /nfs/dbraw/zinc/71/04/10/682710410.db2.gz SCXCCOHAYYWOKV-UHFFFAOYSA-N -1 1 357.369 2.351 20 5 FEBDMM CC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423599 682742394 /nfs/dbraw/zinc/74/23/94/682742394.db2.gz VWFBKVJCATWRTI-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1F ZINC000866861282 684169712 /nfs/dbraw/zinc/16/97/12/684169712.db2.gz KGRVTEPGYUBFCN-OWYVNGRQSA-N -1 1 358.391 2.134 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCC2(COC2)CC1 ZINC000882824052 687504358 /nfs/dbraw/zinc/50/43/58/687504358.db2.gz DMRWHZNCTHZLSL-UHFFFAOYSA-N -1 1 360.819 2.486 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000882869620 687519480 /nfs/dbraw/zinc/51/94/80/687519480.db2.gz LIEISIMMSKJZQI-YFKPBYRVSA-N -1 1 359.148 2.289 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000025694573 539766561 /nfs/dbraw/zinc/76/65/61/539766561.db2.gz ALGLPEVPRYVBAN-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000030007909 539872112 /nfs/dbraw/zinc/87/21/12/539872112.db2.gz ZLQCSLFJFJUMPI-QPUJVOFHSA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c1C ZINC000066587273 541341411 /nfs/dbraw/zinc/34/14/11/541341411.db2.gz LKKUHMKEUKZJSI-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000071081729 541762875 /nfs/dbraw/zinc/76/28/75/541762875.db2.gz PYJYNQMWELMEMZ-UHFFFAOYSA-N -1 1 361.379 2.453 20 5 FEBDMM COCCOCCS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551116709 674124836 /nfs/dbraw/zinc/12/48/36/674124836.db2.gz CAMGVEZGUHKWHA-UHFFFAOYSA-N -1 1 360.432 2.297 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000102320962 543064841 /nfs/dbraw/zinc/06/48/41/543064841.db2.gz ZSZBBSAUTMIAEE-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1c(F)cccc1F ZINC000115715737 543583372 /nfs/dbraw/zinc/58/33/72/543583372.db2.gz WSGSTVOWXYOOAC-CYBMUJFWSA-N -1 1 366.324 2.006 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000151940136 544598245 /nfs/dbraw/zinc/59/82/45/544598245.db2.gz NICBYLYSUUTNGW-KGLIPLIRSA-N -1 1 368.798 2.185 20 5 FEBDMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000188543858 328094065 /nfs/dbraw/zinc/09/40/65/328094065.db2.gz SJMNZSDYQHSHIE-JGVFFNPUSA-N -1 1 367.221 2.059 20 5 FEBDMM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189469455 328150329 /nfs/dbraw/zinc/15/03/29/328150329.db2.gz VTRWPZNMPSUICP-SFHVURJKSA-N -1 1 359.382 2.499 20 5 FEBDMM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189469475 328150247 /nfs/dbraw/zinc/15/02/47/328150247.db2.gz VTRWPZNMPSUICP-GOSISDBHSA-N -1 1 359.382 2.499 20 5 FEBDMM C[C@@H](O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccccc1 ZINC000191791747 328282139 /nfs/dbraw/zinc/28/21/39/328282139.db2.gz BVVVITCMXDDPSP-XIKOKIGWSA-N -1 1 359.382 2.055 20 5 FEBDMM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1n[n-]c(=S)n1C1CC1 ZINC000078502624 325048532 /nfs/dbraw/zinc/04/85/32/325048532.db2.gz ZOVMBENAZLHIJG-UHFFFAOYSA-N -1 1 362.415 2.302 20 5 FEBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000107309710 325624505 /nfs/dbraw/zinc/62/45/05/325624505.db2.gz OVGSNMBREVVAEV-UHFFFAOYSA-N -1 1 359.791 2.374 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21 ZINC000167500890 327085332 /nfs/dbraw/zinc/08/53/32/327085332.db2.gz JBSDRPXGOBVSLV-KOLCDFICSA-N -1 1 354.409 2.499 20 5 FEBDMM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1 ZINC000174755307 327348598 /nfs/dbraw/zinc/34/85/98/327348598.db2.gz RQZBTXOYUZSZCN-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM O=C(NCc1nccn1CCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176480083 327458309 /nfs/dbraw/zinc/45/83/09/327458309.db2.gz NDWFIUXWFIROCD-UHFFFAOYSA-N -1 1 367.365 2.065 20 5 FEBDMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000477309538 561141768 /nfs/dbraw/zinc/14/17/68/561141768.db2.gz PSDQQIHCGFMUMH-LLVKDONJSA-N -1 1 360.345 2.233 20 5 FEBDMM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000159417416 545951908 /nfs/dbraw/zinc/95/19/08/545951908.db2.gz VIELZLSYJKJNFT-NSHDSACASA-N -1 1 362.411 2.276 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)ccc1[N+](=O)[O-] ZINC000176420807 546443894 /nfs/dbraw/zinc/44/38/94/546443894.db2.gz JVTDDHGNGXQRTE-UHFFFAOYSA-N -1 1 350.400 2.161 20 5 FEBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178776570 546848275 /nfs/dbraw/zinc/84/82/75/546848275.db2.gz PZFJKFGJODHKFY-SECBINFHSA-N -1 1 350.824 2.324 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000184604537 547853638 /nfs/dbraw/zinc/85/36/38/547853638.db2.gz UEJUTWSRLSGKLW-JTQLQIEISA-N -1 1 368.415 2.456 20 5 FEBDMM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485360699 561317493 /nfs/dbraw/zinc/31/74/93/561317493.db2.gz IXQFFVVETDNKNC-LSDHHAIUSA-N -1 1 361.329 2.485 20 5 FEBDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237981243 548868767 /nfs/dbraw/zinc/86/87/67/548868767.db2.gz XUIKJIQXGCVCKX-HERUPUMHSA-N -1 1 358.354 2.329 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2CO)CC1 ZINC000490412608 561432551 /nfs/dbraw/zinc/43/25/51/561432551.db2.gz OWRXIVHIWOALNJ-UHFFFAOYSA-N -1 1 371.393 2.283 20 5 FEBDMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000263799456 549938558 /nfs/dbraw/zinc/93/85/58/549938558.db2.gz JPMVVGIOKWYPKQ-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c([N+](=O)[O-])c1 ZINC000272432021 550447405 /nfs/dbraw/zinc/44/74/05/550447405.db2.gz QZCHRHGFQBUROS-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM O=C([N-]CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)(F)F ZINC000281900501 551155314 /nfs/dbraw/zinc/15/53/14/551155314.db2.gz PGSHOJVGSLPLMO-UHFFFAOYSA-N -1 1 371.319 2.366 20 5 FEBDMM COc1ccccc1O[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286665281 551912302 /nfs/dbraw/zinc/91/23/02/551912302.db2.gz HNMMKBQGDQVPQV-ZDUSSCGKSA-N -1 1 373.365 2.388 20 5 FEBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288632151 552188372 /nfs/dbraw/zinc/18/83/72/552188372.db2.gz NZSMSLXURPKZDT-ZCFIWIBFSA-N -1 1 371.293 2.002 20 5 FEBDMM COc1cccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000290766426 552534325 /nfs/dbraw/zinc/53/43/25/552534325.db2.gz UVZRHBDSQPJKTQ-JTQLQIEISA-N -1 1 361.320 2.498 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290770863 552535353 /nfs/dbraw/zinc/53/53/53/552535353.db2.gz OLIGNFSQSXNBQF-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295408407 553001436 /nfs/dbraw/zinc/00/14/36/553001436.db2.gz UABUWPXMDSQTJT-NSHDSACASA-N -1 1 360.345 2.185 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000295426038 553005221 /nfs/dbraw/zinc/00/52/21/553005221.db2.gz XGIMVHLRHGVOEV-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000328197292 553793638 /nfs/dbraw/zinc/79/36/38/553793638.db2.gz PHTYOKDNXMNDOU-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000508231992 561755994 /nfs/dbraw/zinc/75/59/94/561755994.db2.gz JNRINGDJPROXLQ-UHFFFAOYSA-N -1 1 356.331 2.036 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)c([N+](=O)[O-])n1 ZINC000331422016 554261504 /nfs/dbraw/zinc/26/15/04/554261504.db2.gz HTCBLIOQZKKVRB-JTQLQIEISA-N -1 1 356.429 2.229 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C2CC2)CCOCC1 ZINC000364855382 555416139 /nfs/dbraw/zinc/41/61/39/555416139.db2.gz NBKAUDNKXSOVIE-UHFFFAOYSA-N -1 1 360.819 2.486 20 5 FEBDMM CC(C)c1nc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000515568739 562015438 /nfs/dbraw/zinc/01/54/38/562015438.db2.gz OKTMRJBNAINZIH-UHFFFAOYSA-N -1 1 356.429 2.091 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000371682938 557261497 /nfs/dbraw/zinc/26/14/97/557261497.db2.gz FZZCNEVVDPLAEN-CQSZACIVSA-N -1 1 366.370 2.326 20 5 FEBDMM Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)nc1 ZINC000373275000 557663230 /nfs/dbraw/zinc/66/32/30/557663230.db2.gz QOWPEFZSZLYVLC-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000521050114 562168434 /nfs/dbraw/zinc/16/84/34/562168434.db2.gz AFBPXNJMEIDXFH-ZDUSSCGKSA-N -1 1 351.403 2.370 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000416423651 559312154 /nfs/dbraw/zinc/31/21/54/559312154.db2.gz WHOTWJVFEGZKAJ-UHFFFAOYSA-N -1 1 370.305 2.001 20 5 FEBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000416564881 559322170 /nfs/dbraw/zinc/32/21/70/559322170.db2.gz SDUVWAHSWQFRKD-VXGBXAGGSA-N -1 1 360.819 2.484 20 5 FEBDMM C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416568361 559322316 /nfs/dbraw/zinc/32/23/16/559322316.db2.gz WXYBAVPKVZBBKV-NSHDSACASA-N -1 1 361.851 2.258 20 5 FEBDMM CC(C)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1[N+](=O)[O-] ZINC000425301948 559695627 /nfs/dbraw/zinc/69/56/27/559695627.db2.gz MTEIJESJDMWBPQ-LLVKDONJSA-N -1 1 360.370 2.367 20 5 FEBDMM CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432192960 559853842 /nfs/dbraw/zinc/85/38/42/559853842.db2.gz QQZBUPYJGWZKQW-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM CCn1cnc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434964627 559913471 /nfs/dbraw/zinc/91/34/71/559913471.db2.gz BLTWRWBJTTWJGD-UHFFFAOYSA-N -1 1 362.371 2.002 20 5 FEBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2C1 ZINC000436954850 559957434 /nfs/dbraw/zinc/95/74/34/559957434.db2.gz YFOQEGUXOXNYQS-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000444863358 560122912 /nfs/dbraw/zinc/12/29/12/560122912.db2.gz YECRQPAQADUBRG-UHFFFAOYSA-N -1 1 365.349 2.080 20 5 FEBDMM CN1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000461870193 560785863 /nfs/dbraw/zinc/78/58/63/560785863.db2.gz WKDJQWJMYSSFID-UHFFFAOYSA-N -1 1 368.242 2.274 20 5 FEBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467065528 560902716 /nfs/dbraw/zinc/90/27/16/560902716.db2.gz ZKUSNUSHRUONJO-SECBINFHSA-N -1 1 362.454 2.347 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])n1 ZINC000533175191 562500349 /nfs/dbraw/zinc/50/03/49/562500349.db2.gz JMTAOYASJXVCNM-CYBMUJFWSA-N -1 1 366.443 2.338 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000533553662 562512920 /nfs/dbraw/zinc/51/29/20/562512920.db2.gz QHEKAICIESYBLF-GFCCVEGCSA-N -1 1 362.835 2.468 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c([N+](=O)[O-])n1 ZINC000533634043 562514973 /nfs/dbraw/zinc/51/49/73/562514973.db2.gz YXFRAELIZSAMGB-NSHDSACASA-N -1 1 370.456 2.270 20 5 FEBDMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535531634 562560513 /nfs/dbraw/zinc/56/05/13/562560513.db2.gz ARWCDTMIAXPMIG-VIFPVBQESA-N -1 1 364.807 2.116 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000541998747 562625357 /nfs/dbraw/zinc/62/53/57/562625357.db2.gz GBAKBJGSSRIYPT-UHFFFAOYSA-N -1 1 350.352 2.434 20 5 FEBDMM CCc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736688373 599065158 /nfs/dbraw/zinc/06/51/58/599065158.db2.gz DCBFZORMGLGOEY-UHFFFAOYSA-N -1 1 357.286 2.433 20 5 FEBDMM CCc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736688373 599065161 /nfs/dbraw/zinc/06/51/61/599065161.db2.gz DCBFZORMGLGOEY-UHFFFAOYSA-N -1 1 357.286 2.433 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737265078 599302423 /nfs/dbraw/zinc/30/24/23/599302423.db2.gz SJBRQNSECXZOIO-UHFFFAOYSA-N -1 1 360.717 2.351 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737265078 599302425 /nfs/dbraw/zinc/30/24/25/599302425.db2.gz SJBRQNSECXZOIO-UHFFFAOYSA-N -1 1 360.717 2.351 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736948824 598238160 /nfs/dbraw/zinc/23/81/60/598238160.db2.gz NMJSTBDACQXFEX-UHFFFAOYSA-N -1 1 359.273 2.493 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736948824 598238161 /nfs/dbraw/zinc/23/81/61/598238161.db2.gz NMJSTBDACQXFEX-UHFFFAOYSA-N -1 1 359.273 2.493 20 5 FEBDMM O=C([O-])c1cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000740075187 599929389 /nfs/dbraw/zinc/92/93/89/599929389.db2.gz ZQBUWEPDZCISLA-UHFFFAOYSA-N -1 1 367.321 2.008 20 5 FEBDMM O=C([O-])c1cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000740075187 599929391 /nfs/dbraw/zinc/92/93/91/599929391.db2.gz ZQBUWEPDZCISLA-UHFFFAOYSA-N -1 1 367.321 2.008 20 5 FEBDMM COc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826220384 607451632 /nfs/dbraw/zinc/45/16/32/607451632.db2.gz MHDVSEPZJLYJGN-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM COc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826220384 607451634 /nfs/dbraw/zinc/45/16/34/607451634.db2.gz MHDVSEPZJLYJGN-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818859 674512368 /nfs/dbraw/zinc/51/23/68/674512368.db2.gz KLOSZUIDOUCMGD-ISVAXAHUSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cocn2)c(Cl)cc1Cl ZINC000809815916 674511813 /nfs/dbraw/zinc/51/18/13/674511813.db2.gz WTCDRHLYMAKPAA-UHFFFAOYSA-N -1 1 352.155 2.368 20 5 FEBDMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832506 674514482 /nfs/dbraw/zinc/51/44/82/674514482.db2.gz QYVHEEDWDOYOGR-RNFRBKRXSA-N -1 1 357.215 2.339 20 5 FEBDMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740632571 602993658 /nfs/dbraw/zinc/99/36/58/602993658.db2.gz MVVNRXQVIHYRDJ-JOYOIKCWSA-N -1 1 361.358 2.027 20 5 FEBDMM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCCNC(=O)[O-] ZINC000738627274 603250941 /nfs/dbraw/zinc/25/09/41/603250941.db2.gz GHGYEJNSNABISB-SECBINFHSA-N -1 1 358.782 2.165 20 5 FEBDMM CCCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000826917166 603911156 /nfs/dbraw/zinc/91/11/56/603911156.db2.gz YPJZKVDIWLYOLO-LBPRGKRZSA-N -1 1 362.390 2.070 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1C ZINC000830428850 604644828 /nfs/dbraw/zinc/64/48/28/604644828.db2.gz ZQIHTQYETQXXLB-UHFFFAOYSA-N -1 1 366.355 2.497 20 5 FEBDMM C[C@H](CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000827450152 604739098 /nfs/dbraw/zinc/73/90/98/604739098.db2.gz SJTXJTLQQKNQDJ-SECBINFHSA-N -1 1 355.778 2.372 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097633 604858834 /nfs/dbraw/zinc/85/88/34/604858834.db2.gz VDFRMVKDLOSJJC-GFCCVEGCSA-N -1 1 358.354 2.093 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccnc1Br ZINC000823629723 606702730 /nfs/dbraw/zinc/70/27/30/606702730.db2.gz FWWJIYQMJXHOEE-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccnc1Br ZINC000823629723 606702733 /nfs/dbraw/zinc/70/27/33/606702733.db2.gz FWWJIYQMJXHOEE-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000820461523 606702805 /nfs/dbraw/zinc/70/28/05/606702805.db2.gz LIUXAPLKKITCRQ-MRVPVSSYSA-N -1 1 351.330 2.219 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000820461523 606702806 /nfs/dbraw/zinc/70/28/06/606702806.db2.gz LIUXAPLKKITCRQ-MRVPVSSYSA-N -1 1 351.330 2.219 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ncc(-c2ccccc2)o1 ZINC000823624757 607167982 /nfs/dbraw/zinc/16/79/82/607167982.db2.gz INBWULHOBVUHSJ-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ncc(-c2ccccc2)o1 ZINC000823624757 607167984 /nfs/dbraw/zinc/16/79/84/607167984.db2.gz INBWULHOBVUHSJ-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1[N+](=O)[O-] ZINC000826291664 608101189 /nfs/dbraw/zinc/10/11/89/608101189.db2.gz PUFSAERCGILGLY-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000812515393 674681483 /nfs/dbraw/zinc/68/14/83/674681483.db2.gz CVDQETCBIWUVIQ-ZDUSSCGKSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000562461905 674759488 /nfs/dbraw/zinc/75/94/88/674759488.db2.gz UYZBLSSRBNGYSM-LDYMZIIASA-N -1 1 355.322 2.102 20 5 FEBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017669 674897810 /nfs/dbraw/zinc/89/78/10/674897810.db2.gz RZYJRDYVAXSGOG-OQPBUACISA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000815030056 674902890 /nfs/dbraw/zinc/90/28/90/674902890.db2.gz GMJAAYBELXIHQD-MRVPVSSYSA-N -1 1 352.771 2.235 20 5 FEBDMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815055522 674908448 /nfs/dbraw/zinc/90/84/48/674908448.db2.gz CUWJKBGWTDYFNA-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000564188318 674982059 /nfs/dbraw/zinc/98/20/59/674982059.db2.gz MZXJSIIPBGHPHO-JSGCOSHPSA-N -1 1 363.395 2.080 20 5 FEBDMM CN(C)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000569426083 670557586 /nfs/dbraw/zinc/55/75/86/670557586.db2.gz WKLSNZDQGGDDSR-UHFFFAOYSA-N -1 1 365.367 2.160 20 5 FEBDMM CC(C)n1c(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000080173356 670617680 /nfs/dbraw/zinc/61/76/80/670617680.db2.gz QXBBQIKOOLERBT-UHFFFAOYSA-N -1 1 364.431 2.182 20 5 FEBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000574158918 671209776 /nfs/dbraw/zinc/20/97/76/671209776.db2.gz VOQWQEKKLDRBIT-UHFFFAOYSA-N -1 1 364.427 2.415 20 5 FEBDMM COC(=O)CCCc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000610054441 675948910 /nfs/dbraw/zinc/94/89/10/675948910.db2.gz GMVGIVSFFQHRCW-UHFFFAOYSA-N -1 1 350.356 2.194 20 5 FEBDMM O=C(Nc1nc(Br)ccc1O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000121608586 671953691 /nfs/dbraw/zinc/95/36/91/671953691.db2.gz MRPHKODAMXOLEF-UHFFFAOYSA-N -1 1 354.116 2.416 20 5 FEBDMM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)nc12 ZINC000610471348 675973965 /nfs/dbraw/zinc/97/39/65/675973965.db2.gz QLILSHRUJJAHLF-UHFFFAOYSA-N -1 1 366.424 2.133 20 5 FEBDMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611021972 676011657 /nfs/dbraw/zinc/01/16/57/676011657.db2.gz NXTPINRKKYXEMJ-ZYHUDNBSSA-N -1 1 356.425 2.099 20 5 FEBDMM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000590899716 672630566 /nfs/dbraw/zinc/63/05/66/672630566.db2.gz FRIQEZMJUXHIJY-RITPCOANSA-N -1 1 371.198 2.289 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000194345373 672757148 /nfs/dbraw/zinc/75/71/48/672757148.db2.gz XRNCMNBHJFTBIS-LLVKDONJSA-N -1 1 352.343 2.016 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)s1 ZINC000612173523 676071927 /nfs/dbraw/zinc/07/19/27/676071927.db2.gz XTMRXIZNHPVZOT-QMMMGPOBSA-N -1 1 362.335 2.347 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)s1 ZINC000595394153 673241170 /nfs/dbraw/zinc/24/11/70/673241170.db2.gz FAEQHAQBPFCDCB-CYBMUJFWSA-N -1 1 367.452 2.209 20 5 FEBDMM O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597854147 673513231 /nfs/dbraw/zinc/51/32/31/673513231.db2.gz XQJXSEVSPJIVLN-CYBMUJFWSA-N -1 1 363.395 2.391 20 5 FEBDMM CC(C)C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599208010 673641287 /nfs/dbraw/zinc/64/12/87/673641287.db2.gz YHZCBWGFXKCILD-CYBMUJFWSA-N -1 1 352.416 2.394 20 5 FEBDMM Cc1cc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000599268589 673651169 /nfs/dbraw/zinc/65/11/69/673651169.db2.gz GBSRPEYHMDFIFB-CQSZACIVSA-N -1 1 368.390 2.205 20 5 FEBDMM CCO[C@@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC000600657138 673786768 /nfs/dbraw/zinc/78/67/68/673786768.db2.gz IWAYRTNTIYICEI-AWEZNQCLSA-N -1 1 372.399 2.158 20 5 FEBDMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000760429176 680687258 /nfs/dbraw/zinc/68/72/58/680687258.db2.gz CPVQQIOWUMOPEP-SECBINFHSA-N -1 1 364.807 2.258 20 5 FEBDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828071067 675796166 /nfs/dbraw/zinc/79/61/66/675796166.db2.gz LTAKXSATZBMGFV-DTWKUNHWSA-N -1 1 368.814 2.463 20 5 FEBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828070382 675796206 /nfs/dbraw/zinc/79/62/06/675796206.db2.gz GFTQZIUDVISQRB-BDAKNGLRSA-N -1 1 368.814 2.463 20 5 FEBDMM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000617767556 676304138 /nfs/dbraw/zinc/30/41/38/676304138.db2.gz BYDWQEKEEOHYOO-UHFFFAOYSA-N -1 1 357.432 2.252 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000619549779 676384517 /nfs/dbraw/zinc/38/45/17/676384517.db2.gz HGQWXVUASUVDOF-XYPYZODXSA-N -1 1 351.359 2.353 20 5 FEBDMM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000763086835 680771858 /nfs/dbraw/zinc/77/18/58/680771858.db2.gz PQDLDPILRCWHBG-UHFFFAOYSA-N -1 1 352.299 2.205 20 5 FEBDMM CC(C)(C)OC(=O)CCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840209409 680807611 /nfs/dbraw/zinc/80/76/11/680807611.db2.gz YZNQSALHUGEVMJ-UHFFFAOYSA-N -1 1 368.411 2.316 20 5 FEBDMM CC(C)(CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830913562 679894857 /nfs/dbraw/zinc/89/48/57/679894857.db2.gz HJRVAYURWTWWRO-UHFFFAOYSA-N -1 1 357.215 2.198 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831734056 680034637 /nfs/dbraw/zinc/03/46/37/680034637.db2.gz PSQFRZOOOCDNGA-VIFPVBQESA-N -1 1 360.754 2.007 20 5 FEBDMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831878161 680056118 /nfs/dbraw/zinc/05/61/18/680056118.db2.gz YOQDZONZJHKMGE-LLVKDONJSA-N -1 1 352.771 2.233 20 5 FEBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000750169652 680105032 /nfs/dbraw/zinc/10/50/32/680105032.db2.gz JWJWGUMOMJQRRM-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000751305007 680166942 /nfs/dbraw/zinc/16/69/42/680166942.db2.gz HNQVOOMHRLPJNI-LBPRGKRZSA-N -1 1 352.343 2.405 20 5 FEBDMM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751468685 680179827 /nfs/dbraw/zinc/17/98/27/680179827.db2.gz QDINJZYZFDTETN-CYBMUJFWSA-N -1 1 354.359 2.054 20 5 FEBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000841535576 680893724 /nfs/dbraw/zinc/89/37/24/680893724.db2.gz SWTFZAAFGBSGRP-YUMQZZPRSA-N -1 1 352.771 2.233 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000841561990 680898241 /nfs/dbraw/zinc/89/82/41/680898241.db2.gz SGMNHAGEQBYMLA-GWCFXTLKSA-N -1 1 350.824 2.322 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC000767584583 680917387 /nfs/dbraw/zinc/91/73/87/680917387.db2.gz IBHNBLRMURSQSV-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM Cc1ccn2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)nc2c1 ZINC000768812582 680959249 /nfs/dbraw/zinc/95/92/49/680959249.db2.gz LHGPJXQFFZBJNF-UHFFFAOYSA-N -1 1 352.397 2.091 20 5 FEBDMM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837551 680960571 /nfs/dbraw/zinc/96/05/71/680960571.db2.gz DUGSDQHBPPSXCM-NSHDSACASA-N -1 1 370.408 2.467 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(OC)OC ZINC000849405049 681716324 /nfs/dbraw/zinc/71/63/24/681716324.db2.gz DQQKZSAXZZFNSK-SECBINFHSA-N -1 1 370.786 2.063 20 5 FEBDMM CCn1nccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851896928 682181071 /nfs/dbraw/zinc/18/10/71/682181071.db2.gz MDLHYWDTTNFSSS-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784478386 682231371 /nfs/dbraw/zinc/23/13/71/682231371.db2.gz BLNNQAFPPHAXIT-RKDXNWHRSA-N -1 1 364.807 2.114 20 5 FEBDMM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918195531 685537884 /nfs/dbraw/zinc/53/78/84/685537884.db2.gz XZWFTPIWFOGDAD-LLVKDONJSA-N -1 1 354.359 2.480 20 5 FEBDMM COc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1OC ZINC000918195159 685537891 /nfs/dbraw/zinc/53/78/91/685537891.db2.gz MFVNJLHGXAUECY-UHFFFAOYSA-N -1 1 370.358 2.230 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000859368321 683095362 /nfs/dbraw/zinc/09/53/62/683095362.db2.gz YCPDNDHXWDSCAY-QPUJVOFHSA-N -1 1 364.782 2.233 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000859368405 683095381 /nfs/dbraw/zinc/09/53/81/683095381.db2.gz ZTFCOFJJTQOTHA-QPUJVOFHSA-N -1 1 364.782 2.233 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920937186 683382002 /nfs/dbraw/zinc/38/20/02/683382002.db2.gz RKJFZYGBTNTRSE-XVKPBYJWSA-N -1 1 372.296 2.122 20 5 FEBDMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000921498852 683485569 /nfs/dbraw/zinc/48/55/69/683485569.db2.gz NOLBORFIDCLOJR-XPUUQOCRSA-N -1 1 355.199 2.215 20 5 FEBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000872657378 684997908 /nfs/dbraw/zinc/99/79/08/684997908.db2.gz CAKSLIGDJXZGDZ-CUMGRINNSA-N -1 1 358.391 2.278 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000024437029 539731494 /nfs/dbraw/zinc/73/14/94/539731494.db2.gz LNWICTSZPBNCJN-UHFFFAOYSA-N -1 1 365.367 2.363 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000026543501 539789749 /nfs/dbraw/zinc/78/97/49/539789749.db2.gz SPZIBGJVBYAOPJ-UHFFFAOYSA-N -1 1 350.352 2.339 20 5 FEBDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042091934 540050635 /nfs/dbraw/zinc/05/06/35/540050635.db2.gz BTNBDLIPQUVKSH-UHFFFAOYSA-N -1 1 365.349 2.230 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2OC1 ZINC000800952543 674093568 /nfs/dbraw/zinc/09/35/68/674093568.db2.gz YXQKLKMBJQCQGL-LBPRGKRZSA-N -1 1 366.370 2.406 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)s1 ZINC000066938111 541396914 /nfs/dbraw/zinc/39/69/14/541396914.db2.gz CRVLGZFVUBCNSP-UHFFFAOYSA-N -1 1 370.408 2.296 20 5 FEBDMM CCn1c(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[n-]c1=S ZINC000067075280 541414783 /nfs/dbraw/zinc/41/47/83/541414783.db2.gz SZHWJIAWTZUMIM-UHFFFAOYSA-N -1 1 374.426 2.182 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092326 541763482 /nfs/dbraw/zinc/76/34/82/541763482.db2.gz FEPXIVBEGKVTQZ-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000074049811 542029689 /nfs/dbraw/zinc/02/96/89/542029689.db2.gz AAZVRJUNFZUOFK-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM CO[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185758006 327931863 /nfs/dbraw/zinc/93/18/63/327931863.db2.gz HCCMLIWCQQIOFE-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM CCn1c(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000078543126 325050425 /nfs/dbraw/zinc/05/04/25/325050425.db2.gz IZXIUALRQVTMHW-UHFFFAOYSA-N -1 1 364.431 2.030 20 5 FEBDMM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000119318660 326148717 /nfs/dbraw/zinc/14/87/17/326148717.db2.gz LYGCOBNEIXZNKS-SNVBAGLBSA-N -1 1 355.354 2.382 20 5 FEBDMM COc1cccc(-c2nsc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n2)c1 ZINC000119968262 326217516 /nfs/dbraw/zinc/21/75/16/326217516.db2.gz JKZNHPGEPBLSQR-UHFFFAOYSA-N -1 1 360.355 2.108 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)s1 ZINC000125581830 326474204 /nfs/dbraw/zinc/47/42/04/326474204.db2.gz GOPJTYZKTWWIDI-UHFFFAOYSA-N -1 1 363.804 2.062 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000158454119 326896668 /nfs/dbraw/zinc/89/66/68/326896668.db2.gz WRLHVAUWRUASPC-LBPRGKRZSA-N -1 1 356.787 2.260 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)s1 ZINC000163204750 327045924 /nfs/dbraw/zinc/04/59/24/327045924.db2.gz OQEODLAAWUVHHN-UHFFFAOYSA-N -1 1 351.369 2.242 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N2CCc3c2cccc3[N+](=O)[O-])c(=O)[n-]1 ZINC000172421053 327200899 /nfs/dbraw/zinc/20/08/99/327200899.db2.gz OWGCMHURECGCEG-UHFFFAOYSA-N -1 1 374.422 2.230 20 5 FEBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000173815345 327286193 /nfs/dbraw/zinc/28/61/93/327286193.db2.gz SNKQJSCINPNMFX-UHFFFAOYSA-N -1 1 357.413 2.101 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000174035223 327302759 /nfs/dbraw/zinc/30/27/59/327302759.db2.gz XNDAYYKDLPMOJP-SECBINFHSA-N -1 1 354.388 2.315 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000264138471 328994351 /nfs/dbraw/zinc/99/43/51/328994351.db2.gz UITIKXXKRZRTBK-CQSZACIVSA-N -1 1 366.395 2.269 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000275387793 330043062 /nfs/dbraw/zinc/04/30/62/330043062.db2.gz ABKXTBGFRHHKMX-UHFFFAOYSA-N -1 1 364.379 2.482 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC000478703145 561173246 /nfs/dbraw/zinc/17/32/46/561173246.db2.gz POSVQIARIJGQMS-UHFFFAOYSA-N -1 1 350.352 2.339 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000161054018 546096194 /nfs/dbraw/zinc/09/61/94/546096194.db2.gz JLQDDYOPAISHAJ-LBPRGKRZSA-N -1 1 370.814 2.130 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000179371516 546941256 /nfs/dbraw/zinc/94/12/56/546941256.db2.gz LRDXKKQODGDWJX-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2c(=O)[n-]1 ZINC000481942190 561245835 /nfs/dbraw/zinc/24/58/35/561245835.db2.gz JNMVYFUNXXKPMA-UHFFFAOYSA-N -1 1 372.768 2.457 20 5 FEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000182731579 547543286 /nfs/dbraw/zinc/54/32/86/547543286.db2.gz PBOGPZDCIVTREQ-UHFFFAOYSA-N -1 1 373.394 2.364 20 5 FEBDMM Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000486401802 561346318 /nfs/dbraw/zinc/34/63/18/561346318.db2.gz LVUOEWJKKCNXLP-AWEZNQCLSA-N -1 1 368.349 2.378 20 5 FEBDMM Cn1cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000194021926 548424152 /nfs/dbraw/zinc/42/41/52/548424152.db2.gz ROOUKZQMAIFWPQ-UHFFFAOYSA-N -1 1 358.329 2.299 20 5 FEBDMM C[C@H](CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)CO)c1ccccc1 ZINC000489486137 561412679 /nfs/dbraw/zinc/41/26/79/561412679.db2.gz WAQHVFSNNHQHST-OLZOCXBDSA-N -1 1 359.382 2.322 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000270060154 550246474 /nfs/dbraw/zinc/24/64/74/550246474.db2.gz WTRVQWYQTULDNO-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279517808 550898861 /nfs/dbraw/zinc/89/88/61/550898861.db2.gz LIAUBZDTRZXVKK-UHFFFAOYSA-N -1 1 371.397 2.248 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000280388056 550988289 /nfs/dbraw/zinc/98/82/89/550988289.db2.gz WMAVTTZXSDYMAM-NSHDSACASA-N -1 1 366.399 2.321 20 5 FEBDMM Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000281702966 551132767 /nfs/dbraw/zinc/13/27/67/551132767.db2.gz MEIDDCBNMJQHMP-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000284133114 551489337 /nfs/dbraw/zinc/48/93/37/551489337.db2.gz CVPLGIYADSNJBC-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000284971455 551680391 /nfs/dbraw/zinc/68/03/91/551680391.db2.gz FAUJCXIQFCVFQA-UHFFFAOYSA-N -1 1 366.395 2.465 20 5 FEBDMM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000292923991 552771444 /nfs/dbraw/zinc/77/14/44/552771444.db2.gz YHXNKCQHIOMNDU-UHFFFAOYSA-N -1 1 373.362 2.080 20 5 FEBDMM Cc1nc(-c2ccc(NCCn3cc([N+](=O)[O-])cn3)nc2)[n-]c(=O)c1C ZINC000301705295 553672794 /nfs/dbraw/zinc/67/27/94/553672794.db2.gz GDVZOWCXSWWZTR-UHFFFAOYSA-N -1 1 355.358 2.078 20 5 FEBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1CO ZINC000324779843 553773492 /nfs/dbraw/zinc/77/34/92/553773492.db2.gz HOMWIOWANPCUFD-UHFFFAOYSA-N -1 1 352.368 2.287 20 5 FEBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000326609445 553782112 /nfs/dbraw/zinc/78/21/12/553782112.db2.gz MSTJZKHIPGKYSX-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000327683086 553790447 /nfs/dbraw/zinc/79/04/47/553790447.db2.gz FEPBUOBUGAIKBZ-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c([N+](=O)[O-])n1 ZINC000331422019 554261714 /nfs/dbraw/zinc/26/17/14/554261714.db2.gz HTCBLIOQZKKVRB-SNVBAGLBSA-N -1 1 356.429 2.229 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000368286310 556268952 /nfs/dbraw/zinc/26/89/52/556268952.db2.gz ZMVSHOPJBOWPKB-LBPRGKRZSA-N -1 1 370.333 2.426 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000368422473 556304542 /nfs/dbraw/zinc/30/45/42/556304542.db2.gz OTZMHVDHMGGEIS-GFCCVEGCSA-N -1 1 357.322 2.401 20 5 FEBDMM CN1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000517943148 562101265 /nfs/dbraw/zinc/10/12/65/562101265.db2.gz NALKCBHQJAHKJH-HNNXBMFYSA-N -1 1 356.382 2.051 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000372301861 557434290 /nfs/dbraw/zinc/43/42/90/557434290.db2.gz PGXSPTFDVABTCE-SFHVURJKSA-N -1 1 355.350 2.357 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nccn1-c1ccccc1 ZINC000377115397 558269426 /nfs/dbraw/zinc/26/94/26/558269426.db2.gz DITAOHVDGUFSHS-NSHDSACASA-N -1 1 353.338 2.372 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1C ZINC000392230694 558616362 /nfs/dbraw/zinc/61/63/62/558616362.db2.gz RSILXCVPYUZGHB-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000392239336 558616966 /nfs/dbraw/zinc/61/69/66/558616966.db2.gz ZFCKDJYSAPQURU-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396417760 558623194 /nfs/dbraw/zinc/62/31/94/558623194.db2.gz MTJKYUXTXPXOEN-ZDUSSCGKSA-N -1 1 356.382 2.399 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(OC(F)F)cc1 ZINC000525698101 562252641 /nfs/dbraw/zinc/25/26/41/562252641.db2.gz ZBUNGVBFGHYFAX-UHFFFAOYSA-N -1 1 373.337 2.112 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC000525702419 562252752 /nfs/dbraw/zinc/25/27/52/562252752.db2.gz PYPVKLWNYFSROD-UHFFFAOYSA-N -1 1 353.375 2.385 20 5 FEBDMM Cc1ncccc1OC[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000416358659 559307339 /nfs/dbraw/zinc/30/73/39/559307339.db2.gz HHWBITQLWUKMEB-CYBMUJFWSA-N -1 1 358.354 2.082 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416615506 559325325 /nfs/dbraw/zinc/32/53/25/559325325.db2.gz GUKBPVMJBMRDBP-CMPLNLGQSA-N -1 1 350.824 2.322 20 5 FEBDMM Cc1cc(OCC(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1[N+](=O)[O-] ZINC000435580942 559925510 /nfs/dbraw/zinc/92/55/10/559925510.db2.gz SPBNAYBYBMSSJL-UHFFFAOYSA-N -1 1 354.326 2.101 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000442244382 560046605 /nfs/dbraw/zinc/04/66/05/560046605.db2.gz TZRABXUQIIXQLC-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000442329591 560049355 /nfs/dbraw/zinc/04/93/55/560049355.db2.gz VPUBWYNMNDATSO-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CCC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[n-]n1 ZINC000444232108 560106230 /nfs/dbraw/zinc/10/62/30/560106230.db2.gz NEVVNEKZHRMOKO-INIZCTEOSA-N -1 1 362.393 2.466 20 5 FEBDMM COc1ccc(OC(F)F)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445002994 560126416 /nfs/dbraw/zinc/12/64/16/560126416.db2.gz BSLDVIUHAVHCQW-UHFFFAOYSA-N -1 1 369.280 2.235 20 5 FEBDMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000447340225 560160478 /nfs/dbraw/zinc/16/04/78/560160478.db2.gz IQUHOUZSXMGGRZ-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000465148477 560859336 /nfs/dbraw/zinc/85/93/36/560859336.db2.gz IOXCXXWUSBZUIR-UHFFFAOYSA-N -1 1 355.354 2.218 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000471131546 560998872 /nfs/dbraw/zinc/99/88/72/560998872.db2.gz QZVWTANWKPVJOX-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ncoc1-c1ccccc1 ZINC000531865197 562459282 /nfs/dbraw/zinc/45/92/82/562459282.db2.gz KICHEABEUFCBHB-UHFFFAOYSA-N -1 1 360.351 2.123 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854288 562490415 /nfs/dbraw/zinc/49/04/15/562490415.db2.gz RDIJPHMKQWMEJH-RYUDHWBXSA-N -1 1 352.416 2.282 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000532853877 562490420 /nfs/dbraw/zinc/49/04/20/562490420.db2.gz PBFDLTWZIWDYDY-KGLIPLIRSA-N -1 1 364.427 2.426 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000533174827 562500413 /nfs/dbraw/zinc/50/04/13/562500413.db2.gz KDZBSXQHEBKWAS-SNVBAGLBSA-N -1 1 358.445 2.030 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000533634354 562514992 /nfs/dbraw/zinc/51/49/92/562514992.db2.gz WCEWDQZUYQQTEI-UHFFFAOYSA-N -1 1 350.356 2.036 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000570622099 568491643 /nfs/dbraw/zinc/49/16/43/568491643.db2.gz VSGHTRRLOAABOC-JTQLQIEISA-N -1 1 362.342 2.102 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccc(-n3cccn3)c2)c(-c2nnn[n-]2)c1 ZINC000738374616 599527422 /nfs/dbraw/zinc/52/74/22/599527422.db2.gz QXYGUFSIEPJPDH-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccc(-n3cccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738374616 599527423 /nfs/dbraw/zinc/52/74/23/599527423.db2.gz QXYGUFSIEPJPDH-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000823414598 599695596 /nfs/dbraw/zinc/69/55/96/599695596.db2.gz ZUVSZKPPEKGQFO-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000823414598 599695597 /nfs/dbraw/zinc/69/55/97/599695597.db2.gz ZUVSZKPPEKGQFO-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C([O-])c1cc(NC(=O)CSc2n[nH]c(=S)s2)cc([N+](=O)[O-])c1 ZINC000833116470 601287826 /nfs/dbraw/zinc/28/78/26/601287826.db2.gz YSCKIULEOSWILI-UHFFFAOYSA-N -1 1 372.409 2.164 20 5 FEBDMM CN(Cc1ccnc(-c2nn[n-]n2)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825986345 607516870 /nfs/dbraw/zinc/51/68/70/607516870.db2.gz ZNGBWDWWZXXNOC-UHFFFAOYSA-N -1 1 359.777 2.455 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)cc1Cl ZINC000809819143 674512390 /nfs/dbraw/zinc/51/23/90/674512390.db2.gz WGVGANHZGQIXFD-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818312 674512088 /nfs/dbraw/zinc/51/20/88/674512088.db2.gz BFEJDTGJLOVSJC-GFCCVEGCSA-N -1 1 354.787 2.217 20 5 FEBDMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835769 674514875 /nfs/dbraw/zinc/51/48/75/674514875.db2.gz GPXAKRJJXXIRSM-NSHDSACASA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2CC(O)C2)c(Cl)cc1Cl ZINC000809838524 674515099 /nfs/dbraw/zinc/51/50/99/674515099.db2.gz AUNBMVOYWAPGSE-UHFFFAOYSA-N -1 1 369.226 2.341 20 5 FEBDMM COC(=O)c1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821668625 606644820 /nfs/dbraw/zinc/64/48/20/606644820.db2.gz BAKRGEGSUFVVNO-UHFFFAOYSA-N -1 1 368.353 2.198 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2)CC1 ZINC000823620934 606699999 /nfs/dbraw/zinc/69/99/99/606699999.db2.gz TUYBKNHTXSEPEF-UHFFFAOYSA-N -1 1 355.333 2.453 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(F)cc2)CC1 ZINC000823620934 606700001 /nfs/dbraw/zinc/70/00/01/606700001.db2.gz TUYBKNHTXSEPEF-UHFFFAOYSA-N -1 1 355.333 2.453 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCc2ccccc2C1 ZINC000823619988 606711058 /nfs/dbraw/zinc/71/10/58/606711058.db2.gz FGSSGBWINSNVBR-LLVKDONJSA-N -1 1 351.370 2.387 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCc2ccccc2C1 ZINC000823619988 606711060 /nfs/dbraw/zinc/71/10/60/606711060.db2.gz FGSSGBWINSNVBR-LLVKDONJSA-N -1 1 351.370 2.387 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCOC2(CCCCC2)C1 ZINC000823621217 607132069 /nfs/dbraw/zinc/13/20/69/607132069.db2.gz ZLYKKFDHLLEGDL-NSHDSACASA-N -1 1 359.390 2.464 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCOC2(CCCCC2)C1 ZINC000823621217 607132071 /nfs/dbraw/zinc/13/20/71/607132071.db2.gz ZLYKKFDHLLEGDL-NSHDSACASA-N -1 1 359.390 2.464 20 5 FEBDMM O=Cc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826484150 608171821 /nfs/dbraw/zinc/17/18/21/608171821.db2.gz PNDKYNQZCORCMV-UHFFFAOYSA-N -1 1 352.719 2.490 20 5 FEBDMM COc1cc(COC(=O)c2sccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826179950 609467179 /nfs/dbraw/zinc/46/71/79/609467179.db2.gz MEESSXVTLKEUSN-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC=CO1 ZINC000815036562 674904925 /nfs/dbraw/zinc/90/49/25/674904925.db2.gz YPYHRCMHWJBIOV-QMMMGPOBSA-N -1 1 350.755 2.358 20 5 FEBDMM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1=O ZINC000120924146 671938179 /nfs/dbraw/zinc/93/81/79/671938179.db2.gz TYZKWQUQZQCNEZ-UHFFFAOYSA-N -1 1 355.347 2.025 20 5 FEBDMM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265202 675962726 /nfs/dbraw/zinc/96/27/26/675962726.db2.gz IZHVGWMRKBGCEY-ZBFHGGJFSA-N -1 1 363.395 2.007 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127794609 672041707 /nfs/dbraw/zinc/04/17/07/672041707.db2.gz NUDGEEICIIODGL-WCQYABFASA-N -1 1 360.407 2.344 20 5 FEBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000173810371 672354918 /nfs/dbraw/zinc/35/49/18/672354918.db2.gz QMTAIWDXFAJMQU-UHFFFAOYSA-N -1 1 359.404 2.274 20 5 FEBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(CC)CC ZINC000611106565 676017903 /nfs/dbraw/zinc/01/79/03/676017903.db2.gz WXXDDBHINGRVBP-QWHCGFSZSA-N -1 1 374.463 2.073 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000592381963 672794861 /nfs/dbraw/zinc/79/48/61/672794861.db2.gz BPMFRBAZJOJMKZ-HNNXBMFYSA-N -1 1 372.443 2.395 20 5 FEBDMM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594782297 673140619 /nfs/dbraw/zinc/14/06/19/673140619.db2.gz VVTOZIZAESJIKH-GFCCVEGCSA-N -1 1 367.358 2.103 20 5 FEBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540424445 673538962 /nfs/dbraw/zinc/53/89/62/673538962.db2.gz BRRFSDMJJBAATQ-SNVBAGLBSA-N -1 1 362.415 2.240 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000599207089 673641061 /nfs/dbraw/zinc/64/10/61/673641061.db2.gz KWWVMECVKNTNQR-LLVKDONJSA-N -1 1 364.427 2.247 20 5 FEBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000599210608 673641583 /nfs/dbraw/zinc/64/15/83/673641583.db2.gz HQOLAOPFHDJFTC-AWEZNQCLSA-N -1 1 350.400 2.066 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599211453 673641863 /nfs/dbraw/zinc/64/18/63/673641863.db2.gz OJHFCFSMMCHPPN-NSHDSACASA-N -1 1 358.807 2.411 20 5 FEBDMM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599252732 673648857 /nfs/dbraw/zinc/64/88/57/673648857.db2.gz ZILVYTIZDGWFDY-UHFFFAOYSA-N -1 1 352.416 2.104 20 5 FEBDMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567424758 675292096 /nfs/dbraw/zinc/29/20/96/675292096.db2.gz NZUIREUJJUFIHB-LLVKDONJSA-N -1 1 373.431 2.026 20 5 FEBDMM CSc1nc(C)c(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000819921136 675324505 /nfs/dbraw/zinc/32/45/05/675324505.db2.gz URSOXCSGJSGYAK-UHFFFAOYSA-N -1 1 363.399 2.274 20 5 FEBDMM CC1=CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000762552466 680753694 /nfs/dbraw/zinc/75/36/94/680753694.db2.gz YGQBATRVBRDXAA-UHFFFAOYSA-N -1 1 359.835 2.179 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1F ZINC000747595193 679892005 /nfs/dbraw/zinc/89/20/05/679892005.db2.gz JUISCPPVUSUODE-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831158805 679937315 /nfs/dbraw/zinc/93/73/15/679937315.db2.gz MBOAAMYTJWYONU-IUCAKERBSA-N -1 1 369.226 2.339 20 5 FEBDMM COC[C@]1(C(=O)[O-])CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000874043703 685278431 /nfs/dbraw/zinc/27/84/31/685278431.db2.gz XGNZOMGLGZXBLI-AWEZNQCLSA-N -1 1 373.203 2.280 20 5 FEBDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000749153498 680024245 /nfs/dbraw/zinc/02/42/45/680024245.db2.gz CSNRBUBQYLHRSY-UHFFFAOYSA-N -1 1 365.367 2.155 20 5 FEBDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000832524448 680143938 /nfs/dbraw/zinc/14/39/38/680143938.db2.gz OJKPSBLAFOHJKZ-FUXBKTLASA-N -1 1 366.798 2.479 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000754793498 680378929 /nfs/dbraw/zinc/37/89/29/680378929.db2.gz SDRFRFPNMFTNMP-SNVBAGLBSA-N -1 1 372.834 2.374 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CC1 ZINC000757744687 680534702 /nfs/dbraw/zinc/53/47/02/680534702.db2.gz NKYJPEGRGRCOSQ-UHFFFAOYSA-N -1 1 353.169 2.185 20 5 FEBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000841548089 680895599 /nfs/dbraw/zinc/89/55/99/680895599.db2.gz FNUNDHBFTGDWGI-CHWSQXEVSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccn(C)n1 ZINC000841552364 680896236 /nfs/dbraw/zinc/89/62/36/680896236.db2.gz WBSVBYHFPSFLRH-SSDOTTSWSA-N -1 1 362.770 2.160 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000859251910 683065477 /nfs/dbraw/zinc/06/54/77/683065477.db2.gz GTBUVDMVHOFMFY-VIFPVBQESA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795792949 683093167 /nfs/dbraw/zinc/09/31/67/683093167.db2.gz YWCGDIQOAWBSOE-RQJHMYQMSA-N -1 1 367.196 2.431 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)cc1Cl ZINC000798228952 683325252 /nfs/dbraw/zinc/32/52/52/683325252.db2.gz UDURQSBVLZNDSQ-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1F ZINC000867350652 684255493 /nfs/dbraw/zinc/25/54/93/684255493.db2.gz MDVUACSMIOQYMS-UHFFFAOYSA-N -1 1 364.370 2.087 20 5 FEBDMM CN1Cc2ccccc2[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867794224 684388504 /nfs/dbraw/zinc/38/85/04/684388504.db2.gz FXMNEVQZEWUMTF-GFCCVEGCSA-N -1 1 353.425 2.121 20 5 FEBDMM O=C([O-])Cc1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000910387598 685046129 /nfs/dbraw/zinc/04/61/29/685046129.db2.gz XEGNMBOAEGHELL-DOMZBBRYSA-N -1 1 351.428 2.214 20 5 FEBDMM COc1ccc(OC)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000024101159 539726853 /nfs/dbraw/zinc/72/68/53/539726853.db2.gz NYTAKPBGDOOBSA-UHFFFAOYSA-N -1 1 354.340 2.118 20 5 FEBDMM COc1ccc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031188909 539900604 /nfs/dbraw/zinc/90/06/04/539900604.db2.gz KVCWRYUMKBEHCB-UHFFFAOYSA-N -1 1 353.334 2.375 20 5 FEBDMM COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1[N-]S(C)(=O)=O ZINC000033069834 539966187 /nfs/dbraw/zinc/96/61/87/539966187.db2.gz FODAZUGCLUGYDR-UHFFFAOYSA-N -1 1 365.367 2.227 20 5 FEBDMM O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc([O-])cc1F ZINC000538823652 540895747 /nfs/dbraw/zinc/89/57/47/540895747.db2.gz RBZZVAGJMQYZMJ-UHFFFAOYSA-N -1 1 371.328 2.225 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067078690 541414590 /nfs/dbraw/zinc/41/45/90/541414590.db2.gz KZFSUYAKUNFQLF-UHFFFAOYSA-N -1 1 363.399 2.165 20 5 FEBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067079267 541414596 /nfs/dbraw/zinc/41/45/96/541414596.db2.gz PBMJDCBXOFNCAM-UHFFFAOYSA-N -1 1 373.398 2.033 20 5 FEBDMM CC1(C)CC[C@](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000552000666 674180673 /nfs/dbraw/zinc/18/06/73/674180673.db2.gz LTQNIQYOGZUGQB-CQSZACIVSA-N -1 1 360.363 2.046 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129166797 544095040 /nfs/dbraw/zinc/09/50/40/544095040.db2.gz ODXBEUXBSKHALQ-XWIASGKRSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1-n1cccn1 ZINC000150900899 544484778 /nfs/dbraw/zinc/48/47/78/544484778.db2.gz ASKSPXPAWFHKJO-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182484337 327777335 /nfs/dbraw/zinc/77/73/35/327777335.db2.gz VILGCTYWACDDGP-VIFPVBQESA-N -1 1 350.824 2.324 20 5 FEBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000192812974 328340883 /nfs/dbraw/zinc/34/08/83/328340883.db2.gz VWMHUMWXOKYXBU-UHFFFAOYSA-N -1 1 353.331 2.493 20 5 FEBDMM Cc1ccn(-c2ccccc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000193731432 328392321 /nfs/dbraw/zinc/39/23/21/328392321.db2.gz YKGXWMSSSADQJH-UHFFFAOYSA-N -1 1 353.338 2.120 20 5 FEBDMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1=N ZINC000118838846 326106330 /nfs/dbraw/zinc/10/63/30/326106330.db2.gz RAFJTEUMPJFSCE-UHFFFAOYSA-N -1 1 373.413 2.218 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000121837354 326371035 /nfs/dbraw/zinc/37/10/35/326371035.db2.gz MABQKYOASKFNBU-UHFFFAOYSA-N -1 1 360.351 2.287 20 5 FEBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000173525605 327263682 /nfs/dbraw/zinc/26/36/82/327263682.db2.gz KVOPWCOXMZPINE-MEBBXXQBSA-N -1 1 361.329 2.437 20 5 FEBDMM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264149947 328995311 /nfs/dbraw/zinc/99/53/11/328995311.db2.gz ZYYTTWPKPSIDAC-MRVPVSSYSA-N -1 1 367.221 2.061 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)[n-]1 ZINC000265056219 329086561 /nfs/dbraw/zinc/08/65/61/329086561.db2.gz UKLCXNWYRAWALE-UHFFFAOYSA-N -1 1 355.354 2.472 20 5 FEBDMM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000268695513 329447012 /nfs/dbraw/zinc/44/70/12/329447012.db2.gz QAHMQHBFGGFWFB-JTQLQIEISA-N -1 1 366.399 2.252 20 5 FEBDMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000270771689 329630002 /nfs/dbraw/zinc/63/00/02/329630002.db2.gz LYQCKGSHXPXZTD-UHFFFAOYSA-N -1 1 372.381 2.060 20 5 FEBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000555191079 674350883 /nfs/dbraw/zinc/35/08/83/674350883.db2.gz FTZFPCKEUGNUBG-UHFFFAOYSA-N -1 1 371.758 2.231 20 5 FEBDMM Cc1cccc(OCCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1C ZINC000555525486 674364546 /nfs/dbraw/zinc/36/45/46/674364546.db2.gz HQJVNOKYMBOYRX-UHFFFAOYSA-N -1 1 365.411 2.354 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178376706 546784230 /nfs/dbraw/zinc/78/42/30/546784230.db2.gz UOQYQZNZFCUQNT-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474051 546960383 /nfs/dbraw/zinc/96/03/83/546960383.db2.gz INLYMCLMVUHMTR-GFCCVEGCSA-N -1 1 357.370 2.316 20 5 FEBDMM COc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1O ZINC000484232101 561294162 /nfs/dbraw/zinc/29/41/62/561294162.db2.gz JOVHLCJJSYSURE-UHFFFAOYSA-N -1 1 352.368 2.293 20 5 FEBDMM COC(=O)c1cnc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]1 ZINC000484558803 561299943 /nfs/dbraw/zinc/29/99/43/561299943.db2.gz QTKDWXUCUHRQGO-LBPRGKRZSA-N -1 1 362.367 2.002 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000484558803 561299944 /nfs/dbraw/zinc/29/99/44/561299944.db2.gz QTKDWXUCUHRQGO-LBPRGKRZSA-N -1 1 362.367 2.002 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-] ZINC000185639556 548013715 /nfs/dbraw/zinc/01/37/15/548013715.db2.gz HQYZBIFOXCMUHY-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000485702818 561326238 /nfs/dbraw/zinc/32/62/38/561326238.db2.gz UDKRAPLVBRTRJF-HNNXBMFYSA-N -1 1 366.333 2.123 20 5 FEBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000486312987 561343831 /nfs/dbraw/zinc/34/38/31/561343831.db2.gz BAYBOKHKZAKSNR-CYBMUJFWSA-N -1 1 354.322 2.069 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)s1 ZINC000490426837 561432776 /nfs/dbraw/zinc/43/27/76/561432776.db2.gz RABKWPGYURKNMW-JTQLQIEISA-N -1 1 371.415 2.353 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000270060157 550246375 /nfs/dbraw/zinc/24/63/75/550246375.db2.gz WTRVQWYQTULDNO-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH]c21 ZINC000494097678 561462335 /nfs/dbraw/zinc/46/23/35/561462335.db2.gz WSGDIIOKIHNQIE-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM CCN(CC)C(=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277986718 550736107 /nfs/dbraw/zinc/73/61/07/550736107.db2.gz WHOSVWLFSXTVHL-UHFFFAOYSA-N -1 1 372.381 2.107 20 5 FEBDMM C[C@H](CCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279567324 550903701 /nfs/dbraw/zinc/90/37/01/550903701.db2.gz YHUZUCQUZHNWMW-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM C[C@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289668438 552359314 /nfs/dbraw/zinc/35/93/14/552359314.db2.gz BZXANDASWJLNJK-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)COC1 ZINC000290667331 552516301 /nfs/dbraw/zinc/51/63/01/552516301.db2.gz GBDDKYNFEUDIEA-UHFFFAOYSA-N -1 1 355.199 2.216 20 5 FEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000295023620 552952071 /nfs/dbraw/zinc/95/20/71/552952071.db2.gz VDHWBNYOXWAEQB-UHFFFAOYSA-N -1 1 355.351 2.050 20 5 FEBDMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295468668 553011518 /nfs/dbraw/zinc/01/15/18/553011518.db2.gz SPVILEFJBFVJHB-JTQLQIEISA-N -1 1 368.390 2.119 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2(O)CCC2)c1Cl ZINC000295835888 553065938 /nfs/dbraw/zinc/06/59/38/553065938.db2.gz CWJVVHFIMUTTJO-UHFFFAOYSA-N -1 1 369.226 2.485 20 5 FEBDMM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299449279 553564907 /nfs/dbraw/zinc/56/49/07/553564907.db2.gz QABHTXFNRSDDEZ-UHFFFAOYSA-N -1 1 360.395 2.364 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000322126474 553767767 /nfs/dbraw/zinc/76/77/67/553767767.db2.gz XRFIGAIVCFKJDG-QMMMGPOBSA-N -1 1 364.807 2.257 20 5 FEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@](C)(C(F)(F)F)O1 ZINC000505723185 561678422 /nfs/dbraw/zinc/67/84/22/561678422.db2.gz OADPAWDHQTZVJV-ZDUSSCGKSA-N -1 1 363.292 2.267 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332494209 554456390 /nfs/dbraw/zinc/45/63/90/554456390.db2.gz BHIXYENZNQQGMW-UHFFFAOYSA-N -1 1 371.397 2.290 20 5 FEBDMM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000511300188 561864385 /nfs/dbraw/zinc/86/43/85/561864385.db2.gz KCKRFYKDZGUIDA-CYBMUJFWSA-N -1 1 370.818 2.411 20 5 FEBDMM Cn1ccnc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000365338353 555547562 /nfs/dbraw/zinc/54/75/62/555547562.db2.gz TYOCEUBGHWBEJH-CQSZACIVSA-N -1 1 371.328 2.087 20 5 FEBDMM COc1cccc(NC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000365667865 555635710 /nfs/dbraw/zinc/63/57/10/555635710.db2.gz RVHXRRZBUCFXGH-UHFFFAOYSA-N -1 1 372.381 2.421 20 5 FEBDMM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000366628077 555894589 /nfs/dbraw/zinc/89/45/89/555894589.db2.gz GKSSQJUETCKISO-LBPRGKRZSA-N -1 1 370.365 2.186 20 5 FEBDMM O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000516546139 562046981 /nfs/dbraw/zinc/04/69/81/562046981.db2.gz NRLWSFTWJNMTPO-JQWIXIFHSA-N -1 1 374.390 2.436 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)cc1Cl ZINC000377888410 558442232 /nfs/dbraw/zinc/44/22/32/558442232.db2.gz JKWKUSMEHDIPBU-XXFPWJFMSA-N -1 1 364.782 2.233 20 5 FEBDMM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396432797 558623064 /nfs/dbraw/zinc/62/30/64/558623064.db2.gz WLBKDKGSWVDXCX-ZDUSSCGKSA-N -1 1 356.382 2.399 20 5 FEBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000525185211 562242166 /nfs/dbraw/zinc/24/21/66/562242166.db2.gz QEJWITFAUOSLJY-OAHLLOKOSA-N -1 1 363.395 2.428 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC000416628640 559326023 /nfs/dbraw/zinc/32/60/23/559326023.db2.gz AVIONMCPVZCIQA-NEPJUHHUSA-N -1 1 374.463 2.072 20 5 FEBDMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000421996628 559559549 /nfs/dbraw/zinc/55/95/49/559559549.db2.gz VQOFAEFATQLFNA-PWSUYJOCSA-N -1 1 365.386 2.135 20 5 FEBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293572 559694987 /nfs/dbraw/zinc/69/49/87/559694987.db2.gz CASILEAFAHVPMH-LBPRGKRZSA-N -1 1 371.353 2.044 20 5 FEBDMM O=C(NC1CCCC1)c1ccc(=NCCc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000432121992 559852510 /nfs/dbraw/zinc/85/25/10/559852510.db2.gz IWHJKIJUUCKPFZ-UHFFFAOYSA-N -1 1 355.398 2.712 20 5 FEBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000432288245 559855607 /nfs/dbraw/zinc/85/56/07/559855607.db2.gz XTWOXPWZHLMJEU-HNNXBMFYSA-N -1 1 366.399 2.198 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000432326827 559856465 /nfs/dbraw/zinc/85/64/65/559856465.db2.gz QVKBHVIRMJFMAR-UHFFFAOYSA-N -1 1 374.463 2.073 20 5 FEBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]1 ZINC000432661171 559862659 /nfs/dbraw/zinc/86/26/59/559862659.db2.gz VIGFNNIFVKFAJB-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000432661171 559862660 /nfs/dbraw/zinc/86/26/60/559862660.db2.gz VIGFNNIFVKFAJB-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM O=C(c1ccc([O-])cc1F)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000436766182 559951316 /nfs/dbraw/zinc/95/13/16/559951316.db2.gz CXEXDVGEXNVJJI-UHFFFAOYSA-N -1 1 373.340 2.038 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]c21 ZINC000436989383 559958676 /nfs/dbraw/zinc/95/86/76/559958676.db2.gz REJOBASZTOQIGW-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451945242 560339823 /nfs/dbraw/zinc/33/98/23/560339823.db2.gz IEOMCFGKSOICAU-PSASIEDQSA-N -1 1 356.791 2.429 20 5 FEBDMM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000463786865 560824474 /nfs/dbraw/zinc/82/44/74/560824474.db2.gz LPRZUSOWXGWXGF-UHFFFAOYSA-N -1 1 367.339 2.268 20 5 FEBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000466909140 560898947 /nfs/dbraw/zinc/89/89/47/560898947.db2.gz IJBZFGAHYPBJRA-UHFFFAOYSA-N -1 1 364.358 2.397 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1F ZINC000530338098 562407370 /nfs/dbraw/zinc/40/73/70/562407370.db2.gz KWKKXOBTUDQCSP-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000740145293 600093305 /nfs/dbraw/zinc/09/33/05/600093305.db2.gz QDJUZWYFPDRQJJ-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnc1Cl ZINC000832903834 600691373 /nfs/dbraw/zinc/69/13/73/600691373.db2.gz ZGTXVLWTZDSDOK-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739066038 601952627 /nfs/dbraw/zinc/95/26/27/601952627.db2.gz WDQZUSWTGNVUDX-QWRGUYRKSA-N -1 1 361.358 2.295 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)cc1Cl ZINC000809820812 674512499 /nfs/dbraw/zinc/51/24/99/674512499.db2.gz CNOFEWAZESGAGY-DTWKUNHWSA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c(Cl)cc1Cl ZINC000809821337 674512831 /nfs/dbraw/zinc/51/28/31/674512831.db2.gz LGTWPQZJRNBYPC-JTQLQIEISA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826227 674513469 /nfs/dbraw/zinc/51/34/69/674513469.db2.gz WMLOZIMTTSWSLH-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809829023 674513806 /nfs/dbraw/zinc/51/38/06/674513806.db2.gz XTBLZKXISHQEOS-LLVKDONJSA-N -1 1 355.199 2.359 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)CC2CC2)c(Cl)cc1Cl ZINC000809829124 674513864 /nfs/dbraw/zinc/51/38/64/674513864.db2.gz WACXNJWOWOCQSX-QMMMGPOBSA-N -1 1 369.226 2.341 20 5 FEBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830028 674514012 /nfs/dbraw/zinc/51/40/12/674514012.db2.gz QHXCBWPOQMXXJS-PELKAZGASA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOCC2CC2)cc1Cl ZINC000809815652 674511917 /nfs/dbraw/zinc/51/19/17/674511917.db2.gz MPZGZJDWLSRZKP-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)CNC(=O)[O-] ZINC000823722533 603630396 /nfs/dbraw/zinc/63/03/96/603630396.db2.gz GBZYHIDRICEUQF-LLVKDONJSA-N -1 1 352.391 2.147 20 5 FEBDMM CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000828114364 603988123 /nfs/dbraw/zinc/98/81/23/603988123.db2.gz GAYQOOIJTIGBMN-UHFFFAOYSA-N -1 1 370.793 2.261 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000827097507 604848102 /nfs/dbraw/zinc/84/81/02/604848102.db2.gz OUXVHDJJOLLAOP-DCAQKATOSA-N -1 1 350.375 2.299 20 5 FEBDMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1F ZINC000833166335 604997091 /nfs/dbraw/zinc/99/70/91/604997091.db2.gz WKNGYHRZMNSPKO-UHFFFAOYSA-N -1 1 371.284 2.470 20 5 FEBDMM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823409066 606134629 /nfs/dbraw/zinc/13/46/29/606134629.db2.gz BYEQRCUVYVQVGY-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823409066 606134632 /nfs/dbraw/zinc/13/46/32/606134632.db2.gz BYEQRCUVYVQVGY-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822226103 606238291 /nfs/dbraw/zinc/23/82/91/606238291.db2.gz CNHWOAZPAVVCLT-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM Cc1nsc(N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822226103 606238293 /nfs/dbraw/zinc/23/82/93/606238293.db2.gz CNHWOAZPAVVCLT-UHFFFAOYSA-N -1 1 359.371 2.125 20 5 FEBDMM CSc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821977250 606651250 /nfs/dbraw/zinc/65/12/50/606651250.db2.gz FICORPJYAIQWGQ-UHFFFAOYSA-N -1 1 372.366 2.249 20 5 FEBDMM CSc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821977250 606651251 /nfs/dbraw/zinc/65/12/51/606651251.db2.gz FICORPJYAIQWGQ-UHFFFAOYSA-N -1 1 372.366 2.249 20 5 FEBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823356403 606675833 /nfs/dbraw/zinc/67/58/33/606675833.db2.gz LIWYKIQCYMIAJB-UHFFFAOYSA-N -1 1 364.243 2.445 20 5 FEBDMM Cc1cccc(C)c1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822299936 606698306 /nfs/dbraw/zinc/69/83/06/606698306.db2.gz ZQEMWSYEZXQXTO-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM Cc1cccc(C)c1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822299936 606698308 /nfs/dbraw/zinc/69/83/08/606698308.db2.gz ZQEMWSYEZXQXTO-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM COCCOCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821692851 606699408 /nfs/dbraw/zinc/69/94/08/606699408.db2.gz GBGDCLOKOSZZIS-UHFFFAOYSA-N -1 1 371.357 2.077 20 5 FEBDMM COCCOCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821692851 606699410 /nfs/dbraw/zinc/69/94/10/606699410.db2.gz GBGDCLOKOSZZIS-UHFFFAOYSA-N -1 1 371.357 2.077 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(c2ccccc2)CC1 ZINC000823620314 606702090 /nfs/dbraw/zinc/70/20/90/606702090.db2.gz KENYMUTZMAPJTK-UHFFFAOYSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(c2ccccc2)CC1 ZINC000823620314 606702091 /nfs/dbraw/zinc/70/20/91/606702091.db2.gz KENYMUTZMAPJTK-UHFFFAOYSA-N -1 1 366.385 2.251 20 5 FEBDMM C[C@H](O)C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473649 606719169 /nfs/dbraw/zinc/71/91/69/606719169.db2.gz IPLYPJWPIVHBNW-WCQYABFASA-N -1 1 369.385 2.137 20 5 FEBDMM C[C@H](O)C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473649 606719171 /nfs/dbraw/zinc/71/91/71/606719171.db2.gz IPLYPJWPIVHBNW-WCQYABFASA-N -1 1 369.385 2.137 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cc2cccnc2)CC1 ZINC000826497041 608194771 /nfs/dbraw/zinc/19/47/71/608194771.db2.gz SDELPEZRARWPAX-UHFFFAOYSA-N -1 1 366.385 2.024 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cc2cccnc2)CC1 ZINC000826497041 608194773 /nfs/dbraw/zinc/19/47/73/608194773.db2.gz SDELPEZRARWPAX-UHFFFAOYSA-N -1 1 366.385 2.024 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc2c(s1)CCCC2 ZINC000826497307 608232824 /nfs/dbraw/zinc/23/28/24/608232824.db2.gz CAOZPVPAWGQISW-UHFFFAOYSA-N -1 1 372.414 2.160 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nc2c(s1)CCCC2 ZINC000826497307 608232826 /nfs/dbraw/zinc/23/28/26/608232826.db2.gz CAOZPVPAWGQISW-UHFFFAOYSA-N -1 1 372.414 2.160 20 5 FEBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826273222 608336739 /nfs/dbraw/zinc/33/67/39/608336739.db2.gz USNFISUJTSIEDA-UHFFFAOYSA-N -1 1 356.367 2.348 20 5 FEBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826273222 608336741 /nfs/dbraw/zinc/33/67/41/608336741.db2.gz USNFISUJTSIEDA-UHFFFAOYSA-N -1 1 356.367 2.348 20 5 FEBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017018 674897231 /nfs/dbraw/zinc/89/72/31/674897231.db2.gz CZJNDFBGZFVDOW-HQJQHLMTSA-N -1 1 354.787 2.073 20 5 FEBDMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023801 674900171 /nfs/dbraw/zinc/90/01/71/674900171.db2.gz IPISSAFOVPTBJZ-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM CC[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815038012 674905086 /nfs/dbraw/zinc/90/50/86/674905086.db2.gz CDZRSUPMPULKBG-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000112090681 670865648 /nfs/dbraw/zinc/86/56/48/670865648.db2.gz WILIIKYWJMZJOG-JTQLQIEISA-N -1 1 367.358 2.039 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1 ZINC000113945738 670888590 /nfs/dbraw/zinc/88/85/90/670888590.db2.gz VQWZGDYOUQUXAR-NSHDSACASA-N -1 1 354.359 2.480 20 5 FEBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000580434614 671806952 /nfs/dbraw/zinc/80/69/52/671806952.db2.gz PGPANHBVSWWFJS-UHFFFAOYSA-N -1 1 368.733 2.062 20 5 FEBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000118946897 671889283 /nfs/dbraw/zinc/88/92/83/671889283.db2.gz IJDJSJJKXXTEPT-OAHLLOKOSA-N -1 1 370.814 2.434 20 5 FEBDMM Cc1csc(CCCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000610262555 675962102 /nfs/dbraw/zinc/96/21/02/675962102.db2.gz TXFHOEJHDOFSNK-UHFFFAOYSA-N -1 1 356.429 2.056 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O ZINC000126378650 672023670 /nfs/dbraw/zinc/02/36/70/672023670.db2.gz HKDIJTYBVPKCRK-DZGCQCFKSA-N -1 1 368.798 2.185 20 5 FEBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000167897251 672320680 /nfs/dbraw/zinc/32/06/80/672320680.db2.gz AZVHJNPEEDTDKI-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(CO)c1 ZINC000178690501 672393916 /nfs/dbraw/zinc/39/39/16/672393916.db2.gz RUUXNKZPWBGXON-UHFFFAOYSA-N -1 1 356.787 2.219 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000611105092 676017379 /nfs/dbraw/zinc/01/73/79/676017379.db2.gz IXMAQSSVAFBRJA-UHFFFAOYSA-N -1 1 370.406 2.206 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000611107625 676018233 /nfs/dbraw/zinc/01/82/33/676018233.db2.gz YCXSLLLDRYGRES-UHFFFAOYSA-N -1 1 352.416 2.333 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144696 672453552 /nfs/dbraw/zinc/45/35/52/672453552.db2.gz RVDDBSAGJOIDFQ-JTQLQIEISA-N -1 1 354.306 2.209 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000588902033 672491329 /nfs/dbraw/zinc/49/13/29/672491329.db2.gz ALRGTPRGSLEDOL-LLVKDONJSA-N -1 1 354.306 2.223 20 5 FEBDMM COCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000592976125 672860285 /nfs/dbraw/zinc/86/02/85/672860285.db2.gz JUNLYKFWXMSPGC-UHFFFAOYSA-N -1 1 351.403 2.148 20 5 FEBDMM CC(C)(C)OC(=O)CC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000593814040 672994665 /nfs/dbraw/zinc/99/46/65/672994665.db2.gz SVXJWXJKGPNBFK-UHFFFAOYSA-N -1 1 351.359 2.080 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000594839566 673158317 /nfs/dbraw/zinc/15/83/17/673158317.db2.gz JPGDANYUJJGJOY-UHFFFAOYSA-N -1 1 367.358 2.149 20 5 FEBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854182 673164834 /nfs/dbraw/zinc/16/48/34/673164834.db2.gz FHIKZJCEJLXZMT-LBPRGKRZSA-N -1 1 371.434 2.419 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000544714549 673728534 /nfs/dbraw/zinc/72/85/34/673728534.db2.gz JHKBLFDTJNOQQO-HNNXBMFYSA-N -1 1 370.427 2.136 20 5 FEBDMM Cc1cc(Cl)c(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000828083046 675796922 /nfs/dbraw/zinc/79/69/22/675796922.db2.gz JSRYNHMQCUNLSC-UHFFFAOYSA-N -1 1 350.766 2.269 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000828288378 675810706 /nfs/dbraw/zinc/81/07/06/675810706.db2.gz ILAJHQTXVDEXDN-RNFRBKRXSA-N -1 1 355.199 2.357 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000830818991 677063120 /nfs/dbraw/zinc/06/31/20/677063120.db2.gz ZAHOUKYCTUUULQ-ZETCQYMHSA-N -1 1 371.198 2.132 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000761193805 680714382 /nfs/dbraw/zinc/71/43/82/680714382.db2.gz YLHBUUASJNPTQJ-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC000763088708 680771999 /nfs/dbraw/zinc/77/19/99/680771999.db2.gz ZKGRGCNHPAZJJH-UHFFFAOYSA-N -1 1 371.302 2.452 20 5 FEBDMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765173605 680833709 /nfs/dbraw/zinc/83/37/09/680833709.db2.gz BPEFIECACFUQDL-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])co1 ZINC000756531348 680483615 /nfs/dbraw/zinc/48/36/15/680483615.db2.gz YHPFBNJBQTVWOG-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000841560141 680897919 /nfs/dbraw/zinc/89/79/19/680897919.db2.gz KMCDBPFRJWNWAB-VGMNWLOBSA-N -1 1 366.798 2.479 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)O1 ZINC000841560476 680898103 /nfs/dbraw/zinc/89/81/03/680898103.db2.gz MCFFQDHYHMSPPU-HRDYMLBCSA-N -1 1 366.798 2.479 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000768865509 680962230 /nfs/dbraw/zinc/96/22/30/680962230.db2.gz KIMSKWIXGKZCFR-AUADJRAKSA-N -1 1 374.465 2.433 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000769926489 681000974 /nfs/dbraw/zinc/00/09/74/681000974.db2.gz LSYWNWZTDYROQF-UHFFFAOYSA-N -1 1 352.343 2.243 20 5 FEBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2n[n-]c(=S)n2c1 ZINC000774081292 681167477 /nfs/dbraw/zinc/16/74/77/681167477.db2.gz JKHPQLOATJLFLE-UHFFFAOYSA-N -1 1 355.339 2.055 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@](C)(O)c1ccccc1 ZINC000845975465 681168237 /nfs/dbraw/zinc/16/82/37/681168237.db2.gz BNRBAUIZQVJEBA-YGRLFVJLSA-N -1 1 356.425 2.231 20 5 FEBDMM O=C([N-]Cc1noc(C2CC2)n1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585009 681583499 /nfs/dbraw/zinc/58/34/99/681583499.db2.gz FETQNCUYJIYQSQ-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000778776205 681648890 /nfs/dbraw/zinc/64/88/90/681648890.db2.gz UDBSCVAXDKZCIT-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM Cc1oc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000798411881 683344162 /nfs/dbraw/zinc/34/41/62/683344162.db2.gz XOLIOUMIQSYPTH-UHFFFAOYSA-N -1 1 374.758 2.326 20 5 FEBDMM O=C([N-]CC1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1)C(F)(F)F ZINC000866296518 684090110 /nfs/dbraw/zinc/09/01/10/684090110.db2.gz SLRKJNDAOYSSOM-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C1(c2ccccc2F)COC1 ZINC000903654194 690950503 /nfs/dbraw/zinc/95/05/03/690950503.db2.gz ZILXVLIFFHGRTO-UHFFFAOYSA-N -1 1 366.370 2.079 20 5 FEBDMM COc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028041392 539824524 /nfs/dbraw/zinc/82/45/24/539824524.db2.gz GYNMUJQHTGKBJE-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2OC1 ZINC000800952542 674093314 /nfs/dbraw/zinc/09/33/14/674093314.db2.gz YXQKLKMBJQCQGL-GFCCVEGCSA-N -1 1 366.370 2.406 20 5 FEBDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000067119080 541420664 /nfs/dbraw/zinc/42/06/64/541420664.db2.gz BRJWGKCQCMWTHS-UHFFFAOYSA-N -1 1 364.431 2.293 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152079168 544611558 /nfs/dbraw/zinc/61/15/58/544611558.db2.gz SFLNLIWLYZFEDF-CJNGLKHVSA-N -1 1 370.409 2.336 20 5 FEBDMM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1 ZINC000153863526 544833571 /nfs/dbraw/zinc/83/35/71/544833571.db2.gz BXUNWSMSHOULDL-UHFFFAOYSA-N -1 1 367.312 2.332 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1noc(-c2ccccc2)n1 ZINC000155030499 544979115 /nfs/dbraw/zinc/97/91/15/544979115.db2.gz PLNZSIPWOJDLIV-SECBINFHSA-N -1 1 355.310 2.236 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1noc(Cc2ccccc2)n1 ZINC000179580691 327650578 /nfs/dbraw/zinc/65/05/78/327650578.db2.gz SJBYMOAFQSYWGR-SNVBAGLBSA-N -1 1 369.337 2.160 20 5 FEBDMM Cc1cccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1C ZINC000186870354 327987677 /nfs/dbraw/zinc/98/76/77/327987677.db2.gz BCHGYONOEVNEBC-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187011771 327997033 /nfs/dbraw/zinc/99/70/33/327997033.db2.gz UFSQMYUGNHJHJC-MRVPVSSYSA-N -1 1 353.281 2.171 20 5 FEBDMM CCc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000193651289 328387729 /nfs/dbraw/zinc/38/77/29/328387729.db2.gz UTHRWTCXKHTFPQ-UHFFFAOYSA-N -1 1 356.382 2.220 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013348625 324375200 /nfs/dbraw/zinc/37/52/00/324375200.db2.gz NVIWEKWRUCPHKY-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101682764 325476751 /nfs/dbraw/zinc/47/67/51/325476751.db2.gz VJUUSSSWVGNYFJ-UHFFFAOYSA-N -1 1 372.312 2.462 20 5 FEBDMM COc1cccc(-c2nsc([N-]C(=O)c3c([N+](=O)[O-])c(C)nn3C)n2)c1 ZINC000102910811 325501204 /nfs/dbraw/zinc/50/12/04/325501204.db2.gz PQVDKNWNFOLUFC-UHFFFAOYSA-N -1 1 374.382 2.416 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167266777 327084420 /nfs/dbraw/zinc/08/44/20/327084420.db2.gz DBHHCJHFCAXATI-ONERCXAPSA-N -1 1 370.402 2.360 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000173543909 327265353 /nfs/dbraw/zinc/26/53/53/327265353.db2.gz XAFLOZATASWXBC-QWHCGFSZSA-N -1 1 368.390 2.393 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000174258861 327315890 /nfs/dbraw/zinc/31/58/90/327315890.db2.gz ZSVOJSKYGMNFHH-JOCHJYFZSA-N -1 1 354.409 2.441 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)s1 ZINC000554914602 674341202 /nfs/dbraw/zinc/34/12/02/674341202.db2.gz JOPHLXFTRCVBBC-WFASDCNBSA-N -1 1 368.436 2.101 20 5 FEBDMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000555333288 674357015 /nfs/dbraw/zinc/35/70/15/674357015.db2.gz ZDKYBTGJJWRJCW-SNVBAGLBSA-N -1 1 351.388 2.126 20 5 FEBDMM Cn1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(-c2ccccc2)n1 ZINC000180884933 547201267 /nfs/dbraw/zinc/20/12/67/547201267.db2.gz LVJRIAFQJCPSRM-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187011752 548240427 /nfs/dbraw/zinc/24/04/27/548240427.db2.gz UFSQMYUGNHJHJC-QMMMGPOBSA-N -1 1 353.281 2.171 20 5 FEBDMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237062479 548798019 /nfs/dbraw/zinc/79/80/19/548798019.db2.gz MQBFRQLANQTSMS-UHFFFAOYSA-N -1 1 354.322 2.442 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000278031536 550741114 /nfs/dbraw/zinc/74/11/14/550741114.db2.gz KCQGIEPVFDHFJZ-ZDUSSCGKSA-N -1 1 367.365 2.350 20 5 FEBDMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278178729 550757598 /nfs/dbraw/zinc/75/75/98/550757598.db2.gz ZNYLRRDSFJOFEP-ZFWWWQNUSA-N -1 1 361.329 2.485 20 5 FEBDMM Cc1cnccc1OC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278632638 550806145 /nfs/dbraw/zinc/80/61/45/550806145.db2.gz LJLMGHQBASOCMN-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM Cc1cccc(CC2(O)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000280324978 550980847 /nfs/dbraw/zinc/98/08/47/550980847.db2.gz UUXQBJYMEGGXSO-UHFFFAOYSA-N -1 1 371.393 2.214 20 5 FEBDMM O=C([N-]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281692630 551131576 /nfs/dbraw/zinc/13/15/76/551131576.db2.gz LMXGJJVPNACIDW-UHFFFAOYSA-N -1 1 359.304 2.126 20 5 FEBDMM COc1ccccc1OC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000497724259 561507044 /nfs/dbraw/zinc/50/70/44/561507044.db2.gz URDBZGLNEPYKES-LLVKDONJSA-N -1 1 361.354 2.149 20 5 FEBDMM Cc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000499283439 561547750 /nfs/dbraw/zinc/54/77/50/561547750.db2.gz NHHJMTIYKCVHSM-UHFFFAOYSA-N -1 1 354.388 2.262 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c1Cl ZINC000289251597 552289323 /nfs/dbraw/zinc/28/93/23/552289323.db2.gz XHUAZPMBOCELOI-WPRPVWTQSA-N -1 1 369.226 2.483 20 5 FEBDMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289814404 552382787 /nfs/dbraw/zinc/38/27/87/552382787.db2.gz KJBBYEDEZLPKQL-XVKPBYJWSA-N -1 1 352.771 2.091 20 5 FEBDMM Cc1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000290480154 552485873 /nfs/dbraw/zinc/48/58/73/552485873.db2.gz WROGNUKUIVSXMZ-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290666084 552516162 /nfs/dbraw/zinc/51/61/62/552516162.db2.gz KASJCXRDZUNNLN-SNVBAGLBSA-N -1 1 363.340 2.015 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291122302 552589582 /nfs/dbraw/zinc/58/95/82/552589582.db2.gz NMODFUZPIUHFBU-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291138380 552591890 /nfs/dbraw/zinc/59/18/90/552591890.db2.gz XLWPTTIBBBQVRK-VIFPVBQESA-N -1 1 374.444 2.159 20 5 FEBDMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000298834374 553478831 /nfs/dbraw/zinc/47/88/31/553478831.db2.gz BOVXIBWWIYDCOH-UHFFFAOYSA-N -1 1 357.370 2.264 20 5 FEBDMM O=C(NCc1ccc(Br)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303324054 553744710 /nfs/dbraw/zinc/74/47/10/553744710.db2.gz RUILQXWLFHIDPA-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000324952592 553774511 /nfs/dbraw/zinc/77/45/11/553774511.db2.gz BWVNYDRTKVFFBD-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000507485207 561730573 /nfs/dbraw/zinc/73/05/73/561730573.db2.gz SBVFFUHRCGNBFY-UHFFFAOYSA-N -1 1 357.338 2.263 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(F)ccc32)c([N+](=O)[O-])n1 ZINC000332014038 554363949 /nfs/dbraw/zinc/36/39/49/554363949.db2.gz YPQJHTQIZYMPNL-ZDUSSCGKSA-N -1 1 368.390 2.306 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000332014008 554364024 /nfs/dbraw/zinc/36/40/24/554364024.db2.gz YOQBEEJHXATXMW-MRXNPFEDSA-N -1 1 364.427 2.341 20 5 FEBDMM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2N1 ZINC000362865131 554994482 /nfs/dbraw/zinc/99/44/82/554994482.db2.gz YVWDTSDIFINDNM-VIFPVBQESA-N -1 1 367.408 2.061 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000513846271 561952228 /nfs/dbraw/zinc/95/22/28/561952228.db2.gz KPTJOROEALBRRH-UHFFFAOYSA-N -1 1 368.367 2.188 20 5 FEBDMM Cc1sc(C(=O)[N-]c2nnc(-c3nccn3C)s2)cc1[N+](=O)[O-] ZINC000366832477 555945939 /nfs/dbraw/zinc/94/59/39/555945939.db2.gz QYXMWQSXCWEGTJ-UHFFFAOYSA-N -1 1 350.385 2.469 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2nccn2C)s1 ZINC000372892998 557583678 /nfs/dbraw/zinc/58/36/78/557583678.db2.gz TXAQRQXKJKTCTN-UHFFFAOYSA-N -1 1 360.355 2.108 20 5 FEBDMM CCOc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000373881547 557779376 /nfs/dbraw/zinc/77/93/76/557779376.db2.gz JRRNLRVHPLVAKY-ZDUSSCGKSA-N -1 1 359.338 2.348 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000375114916 557980034 /nfs/dbraw/zinc/98/00/34/557980034.db2.gz SJLWAKUGKGKZSL-UHFFFAOYSA-N -1 1 370.818 2.260 20 5 FEBDMM COc1ccccc1N1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000375718194 558072038 /nfs/dbraw/zinc/07/20/38/558072038.db2.gz JTXNPPCEOPAYOM-CYBMUJFWSA-N -1 1 372.381 2.103 20 5 FEBDMM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000376457258 558175893 /nfs/dbraw/zinc/17/58/93/558175893.db2.gz DFXDCTYNWWPWIF-LLVKDONJSA-N -1 1 370.456 2.270 20 5 FEBDMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000523399195 562212409 /nfs/dbraw/zinc/21/24/09/562212409.db2.gz HSQKKCCWFLYUIU-UHFFFAOYSA-N -1 1 352.372 2.327 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1[N+](=O)[O-] ZINC000523728319 562218562 /nfs/dbraw/zinc/21/85/62/562218562.db2.gz PMUQXSWMHWLVQU-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525188656 562242523 /nfs/dbraw/zinc/24/25/23/562242523.db2.gz PMFVPOBTNFBERN-GFCCVEGCSA-N -1 1 365.411 2.471 20 5 FEBDMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525688902 562252401 /nfs/dbraw/zinc/25/24/01/562252401.db2.gz IOMGZXSEHPQTIF-GFCCVEGCSA-N -1 1 351.384 2.044 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c(C)cc1[N+](=O)[O-] ZINC000414462117 559165812 /nfs/dbraw/zinc/16/58/12/559165812.db2.gz XYSOXDIEUOACLL-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000427237549 559751141 /nfs/dbraw/zinc/75/11/41/559751141.db2.gz DUFYPOIROBCOIE-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])n1 ZINC000435808469 559930523 /nfs/dbraw/zinc/93/05/23/559930523.db2.gz MPDMYJCEYMBZGQ-UHFFFAOYSA-N -1 1 373.460 2.098 20 5 FEBDMM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2C1 ZINC000436518961 559944071 /nfs/dbraw/zinc/94/40/71/559944071.db2.gz UJOQVVWRMSFLPT-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccncc2)n1 ZINC000437304653 559963054 /nfs/dbraw/zinc/96/30/54/559963054.db2.gz JBGJLVHBCDJLKO-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CN(CCOc1ccccc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444830278 560122035 /nfs/dbraw/zinc/12/20/35/560122035.db2.gz RMEFIPZKOMENMS-UHFFFAOYSA-N -1 1 351.746 2.500 20 5 FEBDMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444844151 560122327 /nfs/dbraw/zinc/12/23/27/560122327.db2.gz BWPGNSMLEUQBQS-JTQLQIEISA-N -1 1 359.338 2.175 20 5 FEBDMM CCOC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000445199128 560130574 /nfs/dbraw/zinc/13/05/74/560130574.db2.gz XIHNGZRJKPCEAF-ZDUSSCGKSA-N -1 1 359.338 2.120 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451945245 560339879 /nfs/dbraw/zinc/33/98/79/560339879.db2.gz IEOMCFGKSOICAU-WPRPVWTQSA-N -1 1 356.791 2.429 20 5 FEBDMM O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000467713266 560915562 /nfs/dbraw/zinc/91/55/62/560915562.db2.gz CPLGYGQWBLXNLE-UHFFFAOYSA-N -1 1 361.264 2.616 20 5 FEBDMM Cc1oc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000541003398 562600053 /nfs/dbraw/zinc/60/00/53/562600053.db2.gz UNAOVEITOWEPKU-UHFFFAOYSA-N -1 1 374.758 2.326 20 5 FEBDMM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000550121799 562643013 /nfs/dbraw/zinc/64/30/13/562643013.db2.gz FUGBNDFJTANBMH-VIFPVBQESA-N -1 1 357.326 2.185 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000570617255 568491499 /nfs/dbraw/zinc/49/14/99/568491499.db2.gz ZFWGIBXHJPEGHF-GHMZBOCLSA-N -1 1 369.424 2.250 20 5 FEBDMM O=C([O-])c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000740133080 600517904 /nfs/dbraw/zinc/51/79/04/600517904.db2.gz UHWAONAPZTUGRX-UHFFFAOYSA-N -1 1 360.731 2.018 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC000738068411 600540412 /nfs/dbraw/zinc/54/04/12/600540412.db2.gz KAOMFYSEAQFRKK-UHFFFAOYSA-N -1 1 366.355 2.115 20 5 FEBDMM O=C([O-])[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000548229883 601389565 /nfs/dbraw/zinc/38/95/65/601389565.db2.gz BDFZVXRVHGMAHU-SECBINFHSA-N -1 1 369.182 2.043 20 5 FEBDMM COc1cc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000831995057 601528544 /nfs/dbraw/zinc/52/85/44/601528544.db2.gz DHNGZYISZXOSJH-WPRPVWTQSA-N -1 1 360.313 2.357 20 5 FEBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739066039 601952657 /nfs/dbraw/zinc/95/26/57/601952657.db2.gz WDQZUSWTGNVUDX-WDEREUQCSA-N -1 1 361.358 2.295 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCn2ccnc2)c1Cl ZINC000809387736 674492759 /nfs/dbraw/zinc/49/27/59/674492759.db2.gz CNTHJSMVVFBJSU-UHFFFAOYSA-N -1 1 365.198 2.077 20 5 FEBDMM CN(C[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)C(=O)[O-] ZINC000739662884 602523480 /nfs/dbraw/zinc/52/34/80/602523480.db2.gz AOQLEWQNIWOFJW-CYBMUJFWSA-N -1 1 359.386 2.348 20 5 FEBDMM CC(C)(CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809827344 674513685 /nfs/dbraw/zinc/51/36/85/674513685.db2.gz LKCHYSJBELGNRY-UHFFFAOYSA-N -1 1 357.215 2.198 20 5 FEBDMM CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC(NC(=O)[O-])CC1 ZINC000827949236 603470015 /nfs/dbraw/zinc/47/00/15/603470015.db2.gz JAJQFNJCCYNAEV-UHFFFAOYSA-N -1 1 361.358 2.122 20 5 FEBDMM C[C@H](CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000827450166 604746209 /nfs/dbraw/zinc/74/62/09/604746209.db2.gz SNSJSIAUDSGCIQ-SECBINFHSA-N -1 1 355.778 2.372 20 5 FEBDMM CN1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000833697001 604861042 /nfs/dbraw/zinc/86/10/42/604861042.db2.gz ANZPAOAHGZMAFC-IRXDYDNUSA-N -1 1 369.377 2.468 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1[N+](=O)[O-] ZINC000824453596 605374147 /nfs/dbraw/zinc/37/41/47/605374147.db2.gz PXAGIRIEZFJSJE-UWVGGRQHSA-N -1 1 353.379 2.092 20 5 FEBDMM CC(C)CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820051634 606645497 /nfs/dbraw/zinc/64/54/97/606645497.db2.gz RTUQFXHHRGTTGW-UHFFFAOYSA-N -1 1 373.417 2.224 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000823620075 606725528 /nfs/dbraw/zinc/72/55/28/606725528.db2.gz HPDYUSFJGABOHZ-ZDUSSCGKSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000823620075 606725529 /nfs/dbraw/zinc/72/55/29/606725529.db2.gz HPDYUSFJGABOHZ-ZDUSSCGKSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(Cl)cc1 ZINC000823625472 607163093 /nfs/dbraw/zinc/16/30/93/607163093.db2.gz WKEBULLNJOOLSW-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(Cl)cc1 ZINC000823625472 607163096 /nfs/dbraw/zinc/16/30/96/607163096.db2.gz WKEBULLNJOOLSW-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM COc1cccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000826215468 608585721 /nfs/dbraw/zinc/58/57/21/608585721.db2.gz PNRGXVJKMSFFHH-UHFFFAOYSA-N -1 1 365.353 2.082 20 5 FEBDMM COc1cccc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000826215468 608585722 /nfs/dbraw/zinc/58/57/22/608585722.db2.gz PNRGXVJKMSFFHH-UHFFFAOYSA-N -1 1 365.353 2.082 20 5 FEBDMM CC[C@@H](C)Oc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000825075898 609172614 /nfs/dbraw/zinc/17/26/14/609172614.db2.gz SPLRTBSQMWMCKM-SNVBAGLBSA-N -1 1 370.373 2.354 20 5 FEBDMM CC[C@@H](C)Oc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000825075898 609172615 /nfs/dbraw/zinc/17/26/15/609172615.db2.gz SPLRTBSQMWMCKM-SNVBAGLBSA-N -1 1 370.373 2.354 20 5 FEBDMM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000561463911 674669633 /nfs/dbraw/zinc/66/96/33/674669633.db2.gz SNHDLHGPEFUVQM-UHFFFAOYSA-N -1 1 352.297 2.290 20 5 FEBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022193 674899751 /nfs/dbraw/zinc/89/97/51/674899751.db2.gz ULMOUDMQNIZQBW-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031217 674902855 /nfs/dbraw/zinc/90/28/55/674902855.db2.gz OMJNUEZEKZOKBZ-PELKAZGASA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039346 674905455 /nfs/dbraw/zinc/90/54/55/674905455.db2.gz VFMUOMDIHLDBOT-GMSGAONNSA-N -1 1 352.771 2.091 20 5 FEBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815040644 674905507 /nfs/dbraw/zinc/90/55/07/674905507.db2.gz IXYPKRPEGCBKNT-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044355 674906407 /nfs/dbraw/zinc/90/64/07/674906407.db2.gz BYQZONOMYWTDJG-DTWKUNHWSA-N -1 1 366.798 2.338 20 5 FEBDMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc21 ZINC000012968519 670005040 /nfs/dbraw/zinc/00/50/40/670005040.db2.gz VKEBAHDCMGYMGE-UHFFFAOYSA-N -1 1 365.342 2.054 20 5 FEBDMM CN(C)c1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579061201 671709309 /nfs/dbraw/zinc/70/93/09/671709309.db2.gz YRQXXVFDDBBSBH-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000119323103 671896830 /nfs/dbraw/zinc/89/68/30/671896830.db2.gz XVXAIWHBXJGXQG-BJOHPYRUSA-N -1 1 372.349 2.273 20 5 FEBDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119589537 671902951 /nfs/dbraw/zinc/90/29/51/671902951.db2.gz RWKMIUZQRMDOLQ-UHFFFAOYSA-N -1 1 370.456 2.376 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000610260932 675961719 /nfs/dbraw/zinc/96/17/19/675961719.db2.gz YHMMWGSUDVDSDA-UHFFFAOYSA-N -1 1 360.351 2.123 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000583393954 672090716 /nfs/dbraw/zinc/09/07/16/672090716.db2.gz FPBDMVOBYVDQDA-UHFFFAOYSA-N -1 1 370.818 2.432 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1F ZINC000159107938 672277519 /nfs/dbraw/zinc/27/75/19/672277519.db2.gz AIWUVBAVKLQUKA-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(CC)CC ZINC000611106566 676017975 /nfs/dbraw/zinc/01/79/75/676017975.db2.gz WXXDDBHINGRVBP-STQMWFEESA-N -1 1 374.463 2.073 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])n1 ZINC000611107000 676018269 /nfs/dbraw/zinc/01/82/69/676018269.db2.gz NMTPLJHGSMNUNL-UHFFFAOYSA-N -1 1 368.390 2.308 20 5 FEBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1[O-] ZINC000588099998 672449647 /nfs/dbraw/zinc/44/96/47/672449647.db2.gz JODWKSILXAQXPE-UHFFFAOYSA-N -1 1 368.733 2.035 20 5 FEBDMM C[C@@H]1CN(CCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000592967837 672859848 /nfs/dbraw/zinc/85/98/48/672859848.db2.gz IQMKOECZFNYKLQ-BETUJISGSA-N -1 1 351.403 2.133 20 5 FEBDMM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000702639002 673058103 /nfs/dbraw/zinc/05/81/03/673058103.db2.gz JMFGSCHKRMTCTP-ZETCQYMHSA-N -1 1 355.185 2.384 20 5 FEBDMM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381475 673238527 /nfs/dbraw/zinc/23/85/27/673238527.db2.gz LZRGPKJUYQLQHQ-PWSUYJOCSA-N -1 1 356.425 2.099 20 5 FEBDMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000537593070 673396181 /nfs/dbraw/zinc/39/61/81/673396181.db2.gz PVXVFWJQLUMCHW-CHWSQXEVSA-N -1 1 357.432 2.252 20 5 FEBDMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(O)c1 ZINC000538843141 673461834 /nfs/dbraw/zinc/46/18/34/673461834.db2.gz LWNGWFQYMCHBBL-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599214356 673642110 /nfs/dbraw/zinc/64/21/10/673642110.db2.gz JTERMXHSQFYUJJ-LLVKDONJSA-N -1 1 368.415 2.155 20 5 FEBDMM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CO2 ZINC000599373608 673665549 /nfs/dbraw/zinc/66/55/49/673665549.db2.gz BWMMHLNSGWKLQB-JTQLQIEISA-N -1 1 354.409 2.247 20 5 FEBDMM CCC(C)(C)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599484987 673682366 /nfs/dbraw/zinc/68/23/66/673682366.db2.gz RHORYKPCKBTDAF-MRXNPFEDSA-N -1 1 372.443 2.339 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000745976098 673859804 /nfs/dbraw/zinc/85/98/04/673859804.db2.gz CTRNYNPBTFLJCU-UHFFFAOYSA-N -1 1 365.367 2.073 20 5 FEBDMM O=C(CSc1nnc(C2CC2)s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000746391791 673875756 /nfs/dbraw/zinc/87/57/56/673875756.db2.gz AOMBMIWGEGNHLI-UHFFFAOYSA-N -1 1 364.408 2.372 20 5 FEBDMM Cc1cccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000547872905 673895443 /nfs/dbraw/zinc/89/54/43/673895443.db2.gz QWCCWKFSHOWMNH-ZDUSSCGKSA-N -1 1 368.342 2.147 20 5 FEBDMM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747287255 673919726 /nfs/dbraw/zinc/91/97/26/673919726.db2.gz KEPVGZCTNSRHPQ-ZDUSSCGKSA-N -1 1 368.386 2.270 20 5 FEBDMM CC1([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])CCCCC1 ZINC000548684042 673986467 /nfs/dbraw/zinc/98/64/67/673986467.db2.gz ZLRUUKYWORSFNI-ZDUSSCGKSA-N -1 1 374.390 2.436 20 5 FEBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819893905 675320917 /nfs/dbraw/zinc/32/09/17/675320917.db2.gz WOFATKYHEVFZIN-UHFFFAOYSA-N -1 1 364.383 2.191 20 5 FEBDMM CS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000619776683 676394524 /nfs/dbraw/zinc/39/45/24/676394524.db2.gz LSEHYADNZDXOGU-UHFFFAOYSA-N -1 1 354.315 2.095 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000832233265 680113337 /nfs/dbraw/zinc/11/33/37/680113337.db2.gz XJWYEWQCVAIEEA-IUODEOHRSA-N -1 1 374.846 2.324 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751488102 680182283 /nfs/dbraw/zinc/18/22/83/680182283.db2.gz QSSTUMKALHOOKM-RFAUZJTJSA-N -1 1 372.349 2.273 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841537620 680894048 /nfs/dbraw/zinc/89/40/48/680894048.db2.gz ZBYLZJVIKWAIQD-OCAPTIKFSA-N -1 1 352.771 2.233 20 5 FEBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000841548091 680895587 /nfs/dbraw/zinc/89/55/87/680895587.db2.gz FNUNDHBFTGDWGI-QWHCGFSZSA-N -1 1 360.819 2.484 20 5 FEBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845966725 681166526 /nfs/dbraw/zinc/16/65/26/681166526.db2.gz CAXHWWWPMCEADR-KCJUWKMLSA-N -1 1 368.814 2.463 20 5 FEBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000845969865 681167069 /nfs/dbraw/zinc/16/70/69/681167069.db2.gz UUZHJGZCHPELGC-GZMMTYOYSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000846018517 681173824 /nfs/dbraw/zinc/17/38/24/681173824.db2.gz IXBQDFTVQUEWDA-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]c1C1CC1 ZINC000776791124 681435859 /nfs/dbraw/zinc/43/58/59/681435859.db2.gz FTLIFNJCAGRWNF-UHFFFAOYSA-N -1 1 350.400 2.488 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000777917685 681543231 /nfs/dbraw/zinc/54/32/31/681543231.db2.gz ALZKTNLATRZRKI-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000851852852 682162904 /nfs/dbraw/zinc/16/29/04/682162904.db2.gz CJQPAWRKUMWQSU-NILFDRSVSA-N -1 1 366.345 2.490 20 5 FEBDMM COc1ccccc1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918190579 685537816 /nfs/dbraw/zinc/53/78/16/685537816.db2.gz LAGMOGRZNAAEHV-UHFFFAOYSA-N -1 1 370.358 2.100 20 5 FEBDMM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796102171 683127986 /nfs/dbraw/zinc/12/79/86/683127986.db2.gz DUDKNOZLKXFVTL-BZNIZROVSA-N -1 1 368.386 2.443 20 5 FEBDMM Cc1nn(C)c(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000866125693 684074773 /nfs/dbraw/zinc/07/47/73/684074773.db2.gz NSPBHYYKRNTQRI-UHFFFAOYSA-N -1 1 365.821 2.318 20 5 FEBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000882701930 687446534 /nfs/dbraw/zinc/44/65/34/687446534.db2.gz JAVNDHOEPFXCOS-OCAPTIKFSA-N -1 1 352.771 2.091 20 5 FEBDMM CS(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000549104375 674017172 /nfs/dbraw/zinc/01/71/72/674017172.db2.gz KIMCDEZGYZXFIS-UHFFFAOYSA-N -1 1 354.315 2.095 20 5 FEBDMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013849474 539592498 /nfs/dbraw/zinc/59/24/98/539592498.db2.gz BRUJELNZBOZZLS-UHFFFAOYSA-N -1 1 363.395 2.026 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000800931033 674090962 /nfs/dbraw/zinc/09/09/62/674090962.db2.gz WZYHPBGOJQCIMG-UHFFFAOYSA-N -1 1 371.758 2.231 20 5 FEBDMM COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1[N-]S(C)(=O)=O ZINC000052281044 540461187 /nfs/dbraw/zinc/46/11/87/540461187.db2.gz XEVUDWCFLGVQHH-UHFFFAOYSA-N -1 1 371.396 2.289 20 5 FEBDMM Cn1[n-]cc2c(=NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])ccnc1-2 ZINC000801700631 674144406 /nfs/dbraw/zinc/14/44/06/674144406.db2.gz NLTJPSZOWQUYNP-UHFFFAOYSA-N -1 1 363.736 2.224 20 5 FEBDMM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000101577471 543034965 /nfs/dbraw/zinc/03/49/65/543034965.db2.gz NLMWLRXMKFDVNA-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000181161676 327718607 /nfs/dbraw/zinc/71/86/07/327718607.db2.gz ZQFQDVHXRZUARR-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187197505 328008373 /nfs/dbraw/zinc/00/83/73/328008373.db2.gz DNWZIDBVSUFGPQ-UHFFFAOYSA-N -1 1 358.310 2.408 20 5 FEBDMM C[C@@H](O)[C@@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000192066390 328297832 /nfs/dbraw/zinc/29/78/32/328297832.db2.gz KVVUDJFKWMXJGB-KZULUSFZSA-N -1 1 359.382 2.055 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000193679050 328389083 /nfs/dbraw/zinc/38/90/83/328389083.db2.gz BUDNQSJJRKSOIF-SNVBAGLBSA-N -1 1 369.337 2.160 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089892364 325339959 /nfs/dbraw/zinc/33/99/59/325339959.db2.gz GEQSEKVIEZWPBO-CYBMUJFWSA-N -1 1 363.757 2.230 20 5 FEBDMM CC(C)(CO)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000154086822 326750792 /nfs/dbraw/zinc/75/07/92/326750792.db2.gz JRUINCJRSWEUTJ-OAHLLOKOSA-N -1 1 359.382 2.228 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000162669228 327031496 /nfs/dbraw/zinc/03/14/96/327031496.db2.gz HJZKCAZOAHGOLI-GWCFXTLKSA-N -1 1 360.819 2.484 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)c1 ZINC000164037870 327063664 /nfs/dbraw/zinc/06/36/64/327063664.db2.gz IUIKNTHNWIVCGW-MRXNPFEDSA-N -1 1 359.382 2.342 20 5 FEBDMM O=C(NCC1(c2ccccc2)CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171111650 327119128 /nfs/dbraw/zinc/11/91/28/327119128.db2.gz ZHWPCABDZUQGAC-UHFFFAOYSA-N -1 1 357.366 2.174 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccco1 ZINC000175208550 327379932 /nfs/dbraw/zinc/37/99/32/327379932.db2.gz KNMSLSIRAULNBO-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1O ZINC000178619964 327596152 /nfs/dbraw/zinc/59/61/52/327596152.db2.gz HEZVDDAWCJVHSA-UHFFFAOYSA-N -1 1 356.787 2.475 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)[n-]1 ZINC000265076647 329088468 /nfs/dbraw/zinc/08/84/68/329088468.db2.gz YQORHIJJEKVEDT-UHFFFAOYSA-N -1 1 355.354 2.472 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000158465581 545862956 /nfs/dbraw/zinc/86/29/56/545862956.db2.gz KVRAAFJFWZTWJX-UHFFFAOYSA-N -1 1 362.411 2.304 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000176421468 546443851 /nfs/dbraw/zinc/44/38/51/546443851.db2.gz IRZCCVDCMHQGSZ-UHFFFAOYSA-N -1 1 350.400 2.161 20 5 FEBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481468512 561233355 /nfs/dbraw/zinc/23/33/55/561233355.db2.gz RPBJYOGGKGIXGR-UHFFFAOYSA-N -1 1 369.381 2.127 20 5 FEBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000484568462 561300337 /nfs/dbraw/zinc/30/03/37/561300337.db2.gz AGXNLSUIYUDDKB-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000484568462 561300338 /nfs/dbraw/zinc/30/03/38/561300338.db2.gz AGXNLSUIYUDDKB-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)n[nH]1 ZINC000185000584 547915678 /nfs/dbraw/zinc/91/56/78/547915678.db2.gz WHUBSXHZWYIRMK-OAHLLOKOSA-N -1 1 353.338 2.246 20 5 FEBDMM O=C(NCc1nc2ccccc2n1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000185452367 547986976 /nfs/dbraw/zinc/98/69/76/547986976.db2.gz YUFRQIHGRZWVSC-UHFFFAOYSA-N -1 1 353.338 2.310 20 5 FEBDMM CC(C)OCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000186587537 548155396 /nfs/dbraw/zinc/15/53/96/548155396.db2.gz SYFNKLBMZWDRQF-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000195119548 548579864 /nfs/dbraw/zinc/57/98/64/548579864.db2.gz OPZMDRNVHMWCNM-UHFFFAOYSA-N -1 1 374.378 2.362 20 5 FEBDMM COc1ccc(-c2nc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n[n-]2)cc1 ZINC000195119548 548579868 /nfs/dbraw/zinc/57/98/68/548579868.db2.gz OPZMDRNVHMWCNM-UHFFFAOYSA-N -1 1 374.378 2.362 20 5 FEBDMM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000195480320 548647143 /nfs/dbraw/zinc/64/71/43/548647143.db2.gz QAHAEEACIMKRLR-UHFFFAOYSA-N -1 1 360.417 2.074 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 ZINC000246776854 549210360 /nfs/dbraw/zinc/21/03/60/549210360.db2.gz PDHWNQCCFFRTEO-OASPWFOLSA-N -1 1 358.441 2.282 20 5 FEBDMM COc1cc(C)c(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000277826402 550718631 /nfs/dbraw/zinc/71/86/31/550718631.db2.gz QTIGTMFLTAZFFB-UHFFFAOYSA-N -1 1 361.354 2.293 20 5 FEBDMM CC(C)c1nn(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000280908699 551044705 /nfs/dbraw/zinc/04/47/05/551044705.db2.gz GHGSGGMZJCTTLK-UHFFFAOYSA-N -1 1 352.416 2.436 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000284634247 551595362 /nfs/dbraw/zinc/59/53/62/551595362.db2.gz LAENFLOGSXYUEP-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000500108028 561566051 /nfs/dbraw/zinc/56/60/51/561566051.db2.gz DRKIDZNVZCHLAH-CQSZACIVSA-N -1 1 355.460 2.446 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c1Cl ZINC000289251592 552289128 /nfs/dbraw/zinc/28/91/28/552289128.db2.gz XHUAZPMBOCELOI-PSASIEDQSA-N -1 1 369.226 2.483 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)cc1Cl ZINC000289805064 552381062 /nfs/dbraw/zinc/38/10/62/552381062.db2.gz JSESBIUMFDDCBD-KCJUWKMLSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290709472 552524235 /nfs/dbraw/zinc/52/42/35/552524235.db2.gz JHEUXFDJLPFRDG-BQBZGAKWSA-N -1 1 357.215 2.197 20 5 FEBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290770860 552535524 /nfs/dbraw/zinc/53/55/24/552535524.db2.gz OLIGNFSQSXNBQF-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C(NCc1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302954489 553742662 /nfs/dbraw/zinc/74/26/62/553742662.db2.gz NITRQAMEHXAZTI-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000327340910 553787925 /nfs/dbraw/zinc/78/79/25/553787925.db2.gz GNKONNHSJQDZAT-OAHLLOKOSA-N -1 1 364.379 2.096 20 5 FEBDMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000508101317 561751700 /nfs/dbraw/zinc/75/17/00/561751700.db2.gz ZSFYWEHCTBBHGQ-UHFFFAOYSA-N -1 1 368.342 2.462 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000508238013 561756273 /nfs/dbraw/zinc/75/62/73/561756273.db2.gz AYPUIRXCRHVCEE-UHFFFAOYSA-N -1 1 356.331 2.036 20 5 FEBDMM CSc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000332298188 554420137 /nfs/dbraw/zinc/42/01/37/554420137.db2.gz HKCDFGYBNNCBHO-SECBINFHSA-N -1 1 364.383 2.425 20 5 FEBDMM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCN(Cc2ccncc2)CC1 ZINC000364393979 555305141 /nfs/dbraw/zinc/30/51/41/555305141.db2.gz NSYDDKADIZIHJQ-UHFFFAOYSA-N -1 1 370.409 2.432 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000364509435 555326641 /nfs/dbraw/zinc/32/66/41/555326641.db2.gz WCQHWHAPSCAJEJ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n[nH]2)cc1 ZINC000364509435 555326642 /nfs/dbraw/zinc/32/66/42/555326642.db2.gz WCQHWHAPSCAJEJ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000512620071 561910317 /nfs/dbraw/zinc/91/03/17/561910317.db2.gz OPRNGQXEFCDOBZ-UHFFFAOYSA-N -1 1 352.368 2.421 20 5 FEBDMM C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365767862 555663520 /nfs/dbraw/zinc/66/35/20/555663520.db2.gz DKHSWWRVBWUPGL-SNVBAGLBSA-N -1 1 369.337 2.106 20 5 FEBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370855047 556992103 /nfs/dbraw/zinc/99/21/03/556992103.db2.gz HQUYMDQCTAHKHL-INIZCTEOSA-N -1 1 360.377 2.115 20 5 FEBDMM COc1ccc(Cn2cc([N-]c3nccc(C(N)=O)c3[N+](=O)[O-])cn2)cc1 ZINC000519734932 562141791 /nfs/dbraw/zinc/14/17/91/562141791.db2.gz PQWSLWAUUDMEIO-UHFFFAOYSA-N -1 1 368.353 2.086 20 5 FEBDMM O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373667340 557734661 /nfs/dbraw/zinc/73/46/61/557734661.db2.gz JBMCVFXCQROIQW-LSDHHAIUSA-N -1 1 365.349 2.167 20 5 FEBDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000436727427 559950105 /nfs/dbraw/zinc/95/01/05/559950105.db2.gz ZKZPGLDMAQGKDH-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000438759580 559983211 /nfs/dbraw/zinc/98/32/11/559983211.db2.gz SGXDXIGNHPQOIX-QHCPKHFHSA-N -1 1 370.408 2.142 20 5 FEBDMM COC(=O)CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000445183294 560130402 /nfs/dbraw/zinc/13/04/02/560130402.db2.gz IUIMWMGSJDEKCB-CYBMUJFWSA-N -1 1 359.338 2.120 20 5 FEBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456776771 560532602 /nfs/dbraw/zinc/53/26/02/560532602.db2.gz FJGJHCAWDKVKBA-QMMMGPOBSA-N -1 1 369.328 2.450 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466511706 560888609 /nfs/dbraw/zinc/88/86/09/560888609.db2.gz BPIHJAAESOLYQV-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(Cl)c1 ZINC000532121460 562467681 /nfs/dbraw/zinc/46/76/81/562467681.db2.gz BYHMVTYWNDNGKW-UHFFFAOYSA-N -1 1 371.802 2.173 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000532707833 562486271 /nfs/dbraw/zinc/48/62/71/562486271.db2.gz WWHZCOORMYOOLD-ZETCQYMHSA-N -1 1 360.779 2.288 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])n1 ZINC000532854867 562490767 /nfs/dbraw/zinc/49/07/67/562490767.db2.gz KSDHTFPJWZXZLM-LBPRGKRZSA-N -1 1 352.416 2.029 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])n1 ZINC000533176467 562500565 /nfs/dbraw/zinc/50/05/65/562500565.db2.gz HOAURVUAJOVSHV-ZDUSSCGKSA-N -1 1 350.400 2.085 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])n1 ZINC000533179083 562500567 /nfs/dbraw/zinc/50/05/67/562500567.db2.gz UPNCKKCAWTWKTA-KOLCDFICSA-N -1 1 354.388 2.006 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000541088992 562602722 /nfs/dbraw/zinc/60/27/22/562602722.db2.gz KASDZEBAZCEEMP-UHFFFAOYSA-N -1 1 352.324 2.138 20 5 FEBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738230513 599062606 /nfs/dbraw/zinc/06/26/06/599062606.db2.gz FVXYMBWCWQBYTK-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738230513 599062609 /nfs/dbraw/zinc/06/26/09/599062609.db2.gz FVXYMBWCWQBYTK-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000823651923 599210571 /nfs/dbraw/zinc/21/05/71/599210571.db2.gz RQJFILULETWDIL-UHFFFAOYSA-N -1 1 372.366 2.482 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000737268130 600255060 /nfs/dbraw/zinc/25/50/60/600255060.db2.gz SCJNBOVPUHILPW-UHFFFAOYSA-N -1 1 353.356 2.293 20 5 FEBDMM CC(C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000826630813 600991257 /nfs/dbraw/zinc/99/12/57/600991257.db2.gz SMHSFWGQDDMQDD-UHFFFAOYSA-N -1 1 364.383 2.110 20 5 FEBDMM O=C([O-])NCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740679492 602657297 /nfs/dbraw/zinc/65/72/97/602657297.db2.gz JPPKUVLOLKZFEC-UHFFFAOYSA-N -1 1 351.340 2.163 20 5 FEBDMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819168 674512302 /nfs/dbraw/zinc/51/23/02/674512302.db2.gz OCJSHXPBKGQZBD-MRVPVSSYSA-N -1 1 354.787 2.073 20 5 FEBDMM CC[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819898 674512547 /nfs/dbraw/zinc/51/25/47/674512547.db2.gz HCCJIEDKDYTONM-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809822156 674512934 /nfs/dbraw/zinc/51/29/34/674512934.db2.gz DTFDXBPYEZCFPV-LLVKDONJSA-N -1 1 354.787 2.337 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccno2)c(Cl)cc1Cl ZINC000809832356 674514439 /nfs/dbraw/zinc/51/44/39/674514439.db2.gz JLBSZEHESRHOAW-UHFFFAOYSA-N -1 1 352.155 2.368 20 5 FEBDMM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832507 674514562 /nfs/dbraw/zinc/51/45/62/674514562.db2.gz QYVHEEDWDOYOGR-RQJHMYQMSA-N -1 1 357.215 2.339 20 5 FEBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCCNC(=O)[O-] ZINC000738627277 603251517 /nfs/dbraw/zinc/25/15/17/603251517.db2.gz GHGYEJNSNABISB-VIFPVBQESA-N -1 1 358.782 2.165 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830531326 603837047 /nfs/dbraw/zinc/83/70/47/603837047.db2.gz FBWJBYPRIFHONS-UHFFFAOYSA-N -1 1 364.402 2.352 20 5 FEBDMM O=C([O-])NC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000834206371 605989266 /nfs/dbraw/zinc/98/92/66/605989266.db2.gz LOFGCBWVQSWBNT-CYBMUJFWSA-N -1 1 369.337 2.210 20 5 FEBDMM O=[N+]([O-])c1cc(NC[C@H]2COc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC000823635107 606644628 /nfs/dbraw/zinc/64/46/28/606644628.db2.gz RNNRZVUNRMACTD-NSHDSACASA-N -1 1 354.326 2.027 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823436174 606647588 /nfs/dbraw/zinc/64/75/88/606647588.db2.gz KZIYXRIFUNSFPE-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823436174 606647589 /nfs/dbraw/zinc/64/75/89/606647589.db2.gz KZIYXRIFUNSFPE-UHFFFAOYSA-N -1 1 365.309 2.008 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(-n2ccnc2)c1 ZINC000823630017 606712737 /nfs/dbraw/zinc/71/27/37/606712737.db2.gz PSJJVDDSOXWFBL-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(-n2ccnc2)c1 ZINC000823630017 606712738 /nfs/dbraw/zinc/71/27/38/606712738.db2.gz PSJJVDDSOXWFBL-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824670144 607902907 /nfs/dbraw/zinc/90/29/07/607902907.db2.gz LASVTLNNQZIJIB-MGGBDBEPSA-N -1 1 373.398 2.080 20 5 FEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824670144 607902908 /nfs/dbraw/zinc/90/29/08/607902908.db2.gz LASVTLNNQZIJIB-MGGBDBEPSA-N -1 1 373.398 2.080 20 5 FEBDMM CC(C)OCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975024 674891032 /nfs/dbraw/zinc/89/10/32/674891032.db2.gz OSLMKKTYSDTBIH-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOCC1CC1 ZINC000815013607 674895687 /nfs/dbraw/zinc/89/56/87/674895687.db2.gz BZIFDIYYKSFFHZ-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017508 674897802 /nfs/dbraw/zinc/89/78/02/674897802.db2.gz NCXCSMYFLGHMTA-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCO1 ZINC000815023864 674900200 /nfs/dbraw/zinc/90/02/00/674900200.db2.gz KNIGHONGVHODCR-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029249 674902451 /nfs/dbraw/zinc/90/24/51/674902451.db2.gz PJCHWXSCZNHOFB-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034611 674903860 /nfs/dbraw/zinc/90/38/60/674903860.db2.gz VQEUFGRDVFJWFW-UHFFFAOYSA-N -1 1 352.771 2.281 20 5 FEBDMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815056027 674908441 /nfs/dbraw/zinc/90/84/41/674908441.db2.gz YQUNFPOOWITCCW-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000101569938 670768430 /nfs/dbraw/zinc/76/84/30/670768430.db2.gz QHWHWQNXILXYNT-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000572672299 671030205 /nfs/dbraw/zinc/03/02/05/671030205.db2.gz LPKWYRKRBLOPRV-ZANVPECISA-N -1 1 369.424 2.032 20 5 FEBDMM Cc1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579479257 671739262 /nfs/dbraw/zinc/73/92/62/671739262.db2.gz MRONIRZUDLALRV-UHFFFAOYSA-N -1 1 350.419 2.039 20 5 FEBDMM O=C([O-])c1cnc(N2CCN(CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000580716266 671826924 /nfs/dbraw/zinc/82/69/24/671826924.db2.gz DJWIVTQYAMHVAU-UHFFFAOYSA-N -1 1 362.411 2.114 20 5 FEBDMM Cc1cccn2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)nc12 ZINC000120220097 671920238 /nfs/dbraw/zinc/92/02/38/671920238.db2.gz SGOOKUQBNKOMDQ-UHFFFAOYSA-N -1 1 352.397 2.091 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000120845097 671936658 /nfs/dbraw/zinc/93/66/58/671936658.db2.gz UKXJGHQJYRSFCG-ZDUSSCGKSA-N -1 1 356.787 2.260 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000123171383 671976607 /nfs/dbraw/zinc/97/66/07/671976607.db2.gz PRWAWXCNIVONQS-ZDUSSCGKSA-N -1 1 354.359 2.136 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc([N+](=O)[O-])c1F ZINC000130018579 672069173 /nfs/dbraw/zinc/06/91/73/672069173.db2.gz YUJIYXQHMHLRRS-UHFFFAOYSA-N -1 1 365.342 2.338 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130794638 672079925 /nfs/dbraw/zinc/07/99/25/672079925.db2.gz YTFQFZRIQBPNRV-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000130794638 672079930 /nfs/dbraw/zinc/07/99/30/672079930.db2.gz YTFQFZRIQBPNRV-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000175892790 672371449 /nfs/dbraw/zinc/37/14/49/672371449.db2.gz WZQLQBBEBCHSGH-UHFFFAOYSA-N -1 1 358.807 2.195 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCOC1 ZINC000594696461 673118157 /nfs/dbraw/zinc/11/81/57/673118157.db2.gz OHWAJWHFPRAXJE-WFASDCNBSA-N -1 1 358.416 2.005 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c([N+](=O)[O-])n1 ZINC000462676297 673273655 /nfs/dbraw/zinc/27/36/55/673273655.db2.gz BUFLDKHYPLRSKE-UHFFFAOYSA-N -1 1 360.342 2.227 20 5 FEBDMM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599253702 673649170 /nfs/dbraw/zinc/64/91/70/673649170.db2.gz OHLRYLLJDBNLMG-OTYXRUKQSA-N -1 1 368.390 2.069 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599376252 673666046 /nfs/dbraw/zinc/66/60/46/673666046.db2.gz SEIKJTQMZXBYKL-KWCYVHTRSA-N -1 1 365.798 2.260 20 5 FEBDMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600140842 673743838 /nfs/dbraw/zinc/74/38/38/673743838.db2.gz FHPOEEBINDUJJY-MRXNPFEDSA-N -1 1 351.359 2.032 20 5 FEBDMM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)C ZINC000546775953 673817686 /nfs/dbraw/zinc/81/76/86/673817686.db2.gz AGOAHKUGJYAEFK-AWEZNQCLSA-N -1 1 372.443 2.381 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)co1 ZINC000547112119 673833338 /nfs/dbraw/zinc/83/33/38/673833338.db2.gz YLJVHXQCBMWDIZ-UHFFFAOYSA-N -1 1 364.339 2.121 20 5 FEBDMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000827890199 675785406 /nfs/dbraw/zinc/78/54/06/675785406.db2.gz TVLLDDZRLLZITM-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000604286065 675804310 /nfs/dbraw/zinc/80/43/10/675804310.db2.gz FAKYVWTYUOVROR-CYBMUJFWSA-N -1 1 358.745 2.281 20 5 FEBDMM CC(C)(C)CN1CCC[C@@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC000764555237 680814483 /nfs/dbraw/zinc/81/44/83/680814483.db2.gz KRDBSNVGZFHWPC-CQSZACIVSA-N -1 1 350.371 2.494 20 5 FEBDMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000748660001 679985800 /nfs/dbraw/zinc/98/58/00/679985800.db2.gz XATGFELXCUHINJ-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832024648 680077780 /nfs/dbraw/zinc/07/77/80/680077780.db2.gz DPWZITJCORAYQC-ZETCQYMHSA-N -1 1 354.787 2.215 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000751142892 680155954 /nfs/dbraw/zinc/15/59/54/680155954.db2.gz UVJVMBFADHGUSA-UHFFFAOYSA-N -1 1 367.295 2.002 20 5 FEBDMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751403464 680171524 /nfs/dbraw/zinc/17/15/24/680171524.db2.gz JVSLTPMZFJWZRZ-RISCZKNCSA-N -1 1 368.386 2.177 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000751425260 680173461 /nfs/dbraw/zinc/17/34/61/680173461.db2.gz XZWDFAAOIYNZKV-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000756816970 680499321 /nfs/dbraw/zinc/49/93/21/680499321.db2.gz ZTKRDWHYOMKPCO-UHFFFAOYSA-N -1 1 358.741 2.415 20 5 FEBDMM COCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000766572682 680881897 /nfs/dbraw/zinc/88/18/97/680881897.db2.gz UUNXOBQSLSSTQQ-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841549988 680895923 /nfs/dbraw/zinc/89/59/23/680895923.db2.gz JONXPBSXCOJVRB-KOLCDFICSA-N -1 1 352.771 2.233 20 5 FEBDMM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841554089 680896696 /nfs/dbraw/zinc/89/66/96/680896696.db2.gz JXSCOZCMXCHZQD-MRVPVSSYSA-N -1 1 354.787 2.338 20 5 FEBDMM CC(C)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000841776008 680911363 /nfs/dbraw/zinc/91/13/63/680911363.db2.gz IGPUYEOEKYVRQQ-VIFPVBQESA-N -1 1 368.770 2.165 20 5 FEBDMM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768807115 680959080 /nfs/dbraw/zinc/95/90/80/680959080.db2.gz ICKRQFMGPFSSIU-UHFFFAOYSA-N -1 1 357.413 2.317 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000770277397 681011403 /nfs/dbraw/zinc/01/14/03/681011403.db2.gz XVXLRPARXKKELR-JTQLQIEISA-N -1 1 362.816 2.322 20 5 FEBDMM CC(C)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000846769393 681287266 /nfs/dbraw/zinc/28/72/66/681287266.db2.gz KJHIGDBRMCQMOB-MRVPVSSYSA-N -1 1 368.770 2.022 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCCCC3)O2)s1 ZINC000775729046 681328896 /nfs/dbraw/zinc/32/88/96/681328896.db2.gz OEWUIEYTGNDTNS-JTQLQIEISA-N -1 1 362.429 2.010 20 5 FEBDMM Cc1cnc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000848477095 681558043 /nfs/dbraw/zinc/55/80/43/681558043.db2.gz LUGPZZIRSWNMAJ-UHFFFAOYSA-N -1 1 353.375 2.267 20 5 FEBDMM COCc1nc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)cs1 ZINC000848589300 681584652 /nfs/dbraw/zinc/58/46/52/681584652.db2.gz IVVZZVDFKYRAIH-UHFFFAOYSA-N -1 1 373.337 2.486 20 5 FEBDMM O=C(NCCSCc1ccnc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000780725171 681866183 /nfs/dbraw/zinc/86/61/83/681866183.db2.gz PHUBGMNTHJOZCK-UHFFFAOYSA-N -1 1 368.802 2.407 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000915416948 685515049 /nfs/dbraw/zinc/51/50/49/685515049.db2.gz RMQROMAZQNZPMX-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM C[C@H](O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000851831157 682152257 /nfs/dbraw/zinc/15/22/57/682152257.db2.gz NZDNUAUOVUIBFI-LURJTMIESA-N -1 1 355.199 2.093 20 5 FEBDMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916191179 685522486 /nfs/dbraw/zinc/52/24/86/685522486.db2.gz RMLRSVCFXWYCOL-AWEZNQCLSA-N -1 1 365.411 2.292 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000788722655 682554176 /nfs/dbraw/zinc/55/41/76/682554176.db2.gz RIUCMLFUZHOHQZ-LSDHHAIUSA-N -1 1 365.411 2.026 20 5 FEBDMM CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224612 683324028 /nfs/dbraw/zinc/32/40/28/683324028.db2.gz IPCBAVSBYCSLMF-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000920757631 683365754 /nfs/dbraw/zinc/36/57/54/683365754.db2.gz JIDNIYNDZFCMBF-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000867782117 684384583 /nfs/dbraw/zinc/38/45/83/684384583.db2.gz IHUVCSNFTSYWAL-RYUDHWBXSA-N -1 1 358.391 2.075 20 5 FEBDMM C[C@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000610847831 939808308 /nfs/dbraw/zinc/80/83/08/939808308.db2.gz WLIXNSCGWXQFFK-QGZVFWFLSA-N -1 1 354.322 2.201 20 5 FEBDMM COc1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000004593388 539389296 /nfs/dbraw/zinc/38/92/96/539389296.db2.gz BZEXNKHHGDTCCY-UHFFFAOYSA-N -1 1 364.383 2.447 20 5 FEBDMM O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029795590 539864703 /nfs/dbraw/zinc/86/47/03/539864703.db2.gz KHBVPXILGKHZLD-UHFFFAOYSA-N -1 1 357.244 2.112 20 5 FEBDMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000045939532 540234934 /nfs/dbraw/zinc/23/49/34/540234934.db2.gz AFXYLTPDOBBEFP-UHFFFAOYSA-N -1 1 363.395 2.454 20 5 FEBDMM CSc1nc(C)c(CCC(=O)NCc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000046149187 540244892 /nfs/dbraw/zinc/24/48/92/540244892.db2.gz DNPQXRUAWNKCHR-UHFFFAOYSA-N -1 1 362.411 2.370 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000125355952 543877041 /nfs/dbraw/zinc/87/70/41/543877041.db2.gz JTSSOZKDTAATNP-INIZCTEOSA-N -1 1 357.366 2.281 20 5 FEBDMM Cc1noc([N-]C(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000125415977 543880739 /nfs/dbraw/zinc/88/07/39/543880739.db2.gz FSBQSHSVFNVPSY-UHFFFAOYSA-N -1 1 374.094 2.143 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)Cc1ccccc1 ZINC000125856800 543905567 /nfs/dbraw/zinc/90/55/67/543905567.db2.gz FYBUCVSHRCJUJO-GFCCVEGCSA-N -1 1 370.814 2.130 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1[N+](=O)[O-] ZINC000130501813 544153524 /nfs/dbraw/zinc/15/35/24/544153524.db2.gz DYZXIFRVXSQAFS-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000151589954 544560402 /nfs/dbraw/zinc/56/04/02/544560402.db2.gz VTTLSRPBYXMJBL-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cnc([O-])c([N+](=O)[O-])c1 ZINC000185831604 327934893 /nfs/dbraw/zinc/93/48/93/327934893.db2.gz PUHDFQDDIPVDBS-UHFFFAOYSA-N -1 1 366.333 2.158 20 5 FEBDMM O=C(NC1(c2cccc(F)c2)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187567470 328033701 /nfs/dbraw/zinc/03/37/01/328033701.db2.gz IGACZOAOVPGBIE-UHFFFAOYSA-N -1 1 361.329 2.270 20 5 FEBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000193767993 328394186 /nfs/dbraw/zinc/39/41/86/328394186.db2.gz ZCRANKNPKUPDCR-SNVBAGLBSA-N -1 1 369.337 2.279 20 5 FEBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119498760 326168752 /nfs/dbraw/zinc/16/87/52/326168752.db2.gz SWQCQMGTEIZOJJ-GFCCVEGCSA-N -1 1 373.818 2.422 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000162638575 327030479 /nfs/dbraw/zinc/03/04/79/327030479.db2.gz JIKATVLTWXTWRE-YPMHNXCESA-N -1 1 360.819 2.484 20 5 FEBDMM COCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171425939 327138686 /nfs/dbraw/zinc/13/86/86/327138686.db2.gz OVPFMJCXLFBZMI-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000174998010 327366796 /nfs/dbraw/zinc/36/67/96/327366796.db2.gz GGJALUKDPCXDRK-UHFFFAOYSA-N -1 1 363.351 2.447 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155861264 545577316 /nfs/dbraw/zinc/57/73/16/545577316.db2.gz CFLKVEVFBXTQLH-IIMNLJJBSA-N -1 1 372.830 2.484 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000159984835 545997237 /nfs/dbraw/zinc/99/72/37/545997237.db2.gz JLUZUUNNCWNQID-JTQLQIEISA-N -1 1 357.413 2.490 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000478586180 561170290 /nfs/dbraw/zinc/17/02/90/561170290.db2.gz ZETKFLFQHBSURF-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000480064754 561202323 /nfs/dbraw/zinc/20/23/23/561202323.db2.gz DDTMVPLGIYIZAE-STQMWFEESA-N -1 1 374.463 2.073 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000176421313 546443922 /nfs/dbraw/zinc/44/39/22/546443922.db2.gz KWPDTGQGSFRAFZ-UHFFFAOYSA-N -1 1 350.400 2.161 20 5 FEBDMM Cc1nccn1-c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000187018197 548241555 /nfs/dbraw/zinc/24/15/55/548241555.db2.gz HKFQQIJXWBNDDW-UHFFFAOYSA-N -1 1 371.328 2.259 20 5 FEBDMM O=C([O-])c1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000238175172 548880465 /nfs/dbraw/zinc/88/04/65/548880465.db2.gz MZZGGIPGUBERSP-UHFFFAOYSA-N -1 1 358.285 2.238 20 5 FEBDMM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000270536825 550281628 /nfs/dbraw/zinc/28/16/28/550281628.db2.gz ANGWQJYWSCRQGP-MRVPVSSYSA-N -1 1 357.367 2.015 20 5 FEBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000270536825 550281631 /nfs/dbraw/zinc/28/16/31/550281631.db2.gz ANGWQJYWSCRQGP-MRVPVSSYSA-N -1 1 357.367 2.015 20 5 FEBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000276788808 550596086 /nfs/dbraw/zinc/59/60/86/550596086.db2.gz PIGRXWBXLRBAOX-LURJTMIESA-N -1 1 350.253 2.410 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)cc1Cl ZINC000289805062 552381168 /nfs/dbraw/zinc/38/11/68/552381168.db2.gz JSESBIUMFDDCBD-GZMMTYOYSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290478467 552485254 /nfs/dbraw/zinc/48/52/54/552485254.db2.gz WQGUEWIWVNOCNT-NSHDSACASA-N -1 1 373.331 2.054 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000298119849 553386657 /nfs/dbraw/zinc/38/66/57/553386657.db2.gz MSRLYYAGJDPRCR-GWCFXTLKSA-N -1 1 363.395 2.485 20 5 FEBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000299076440 553512196 /nfs/dbraw/zinc/51/21/96/553512196.db2.gz XNKZXNQKQAAQAJ-GFCCVEGCSA-N -1 1 373.431 2.377 20 5 FEBDMM CC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OC(C)C ZINC000299497338 553571839 /nfs/dbraw/zinc/57/18/39/553571839.db2.gz PGCBTGXEEIQEKT-ZDUSSCGKSA-N -1 1 351.384 2.045 20 5 FEBDMM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000319527376 553763850 /nfs/dbraw/zinc/76/38/50/553763850.db2.gz BQDWRRMFAIJUMV-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000325747989 553777933 /nfs/dbraw/zinc/77/79/33/553777933.db2.gz QUBAXKQVXRBOMX-UHFFFAOYSA-N -1 1 350.352 2.331 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c1 ZINC000507630552 561735790 /nfs/dbraw/zinc/73/57/90/561735790.db2.gz QRJUSQWLRPYVMZ-UHFFFAOYSA-N -1 1 352.368 2.157 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(F)ccc32)c([N+](=O)[O-])n1 ZINC000332014036 554364084 /nfs/dbraw/zinc/36/40/84/554364084.db2.gz YPQJHTQIZYMPNL-CYBMUJFWSA-N -1 1 368.390 2.306 20 5 FEBDMM COc1cc(C)cc2c1OCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365629914 555627047 /nfs/dbraw/zinc/62/70/47/555627047.db2.gz NXERUPAQYDJHKT-GFCCVEGCSA-N -1 1 359.338 2.266 20 5 FEBDMM COc1cc(C)cc2c1OCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365629920 555627084 /nfs/dbraw/zinc/62/70/84/555627084.db2.gz NXERUPAQYDJHKT-LBPRGKRZSA-N -1 1 359.338 2.266 20 5 FEBDMM Cn1cc(-c2cccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cn1 ZINC000365781888 555666651 /nfs/dbraw/zinc/66/66/51/555666651.db2.gz WQEGTOGYMVTKSC-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000365828183 555676550 /nfs/dbraw/zinc/67/65/50/555676550.db2.gz HDNQHZNKARNXIR-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(-c2ccccn2)n1 ZINC000366344336 555817466 /nfs/dbraw/zinc/81/74/66/555817466.db2.gz VROCGQWQAKKWDO-UHFFFAOYSA-N -1 1 354.326 2.222 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)cc1Cl ZINC000377888409 558442310 /nfs/dbraw/zinc/44/23/10/558442310.db2.gz JKWKUSMEHDIPBU-NYRNMGCKSA-N -1 1 364.782 2.233 20 5 FEBDMM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702652 562252842 /nfs/dbraw/zinc/25/28/42/562252842.db2.gz FGSWTLWEZFWVLM-DGCLKSJQSA-N -1 1 357.432 2.109 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000525755408 562254070 /nfs/dbraw/zinc/25/40/70/562254070.db2.gz VGAWKDQWQCBXIF-LBPRGKRZSA-N -1 1 373.394 2.215 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2c(n1)CCCC2 ZINC000414468161 559166604 /nfs/dbraw/zinc/16/66/04/559166604.db2.gz JUAALZFDMCLGBL-UHFFFAOYSA-N -1 1 353.425 2.461 20 5 FEBDMM Cc1ccc2c(CC[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c[nH]c2c1 ZINC000527121774 562277241 /nfs/dbraw/zinc/27/72/41/562277241.db2.gz OIFPJKPJJKOTMB-UHFFFAOYSA-N -1 1 360.395 2.301 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])n1 ZINC000420742462 559501732 /nfs/dbraw/zinc/50/17/32/559501732.db2.gz UXMLWNPOJUXESE-LLVKDONJSA-N -1 1 374.369 2.486 20 5 FEBDMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421927776 559557038 /nfs/dbraw/zinc/55/70/38/559557038.db2.gz SMDDMYBCBUJUAR-GHMZBOCLSA-N -1 1 365.386 2.278 20 5 FEBDMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000421996629 559559559 /nfs/dbraw/zinc/55/95/59/559559559.db2.gz VQOFAEFATQLFNA-ZYHUDNBSSA-N -1 1 365.386 2.135 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])n1 ZINC000435807063 559930477 /nfs/dbraw/zinc/93/04/77/559930477.db2.gz HLTCTRVZCQMERG-NSHDSACASA-N -1 1 371.444 2.006 20 5 FEBDMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436692458 559948980 /nfs/dbraw/zinc/94/89/80/559948980.db2.gz NGWDEDXJTXEXEY-UHFFFAOYSA-N -1 1 366.351 2.052 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000436784047 559951777 /nfs/dbraw/zinc/95/17/77/559951777.db2.gz OMPCAQOYBCYPFD-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000437303260 559963058 /nfs/dbraw/zinc/96/30/58/559963058.db2.gz IUULEAHUMFLWGV-SSDOTTSWSA-N -1 1 363.442 2.299 20 5 FEBDMM CCCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000445215767 560130804 /nfs/dbraw/zinc/13/08/04/560130804.db2.gz NGODCLHXHDDPEC-NSHDSACASA-N -1 1 353.375 2.326 20 5 FEBDMM Cc1cc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)nn1C(C)C ZINC000449846596 560242418 /nfs/dbraw/zinc/24/24/18/560242418.db2.gz ZHXALXUXKRTLND-UHFFFAOYSA-N -1 1 355.358 2.718 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1 ZINC000470253818 560977470 /nfs/dbraw/zinc/97/74/70/560977470.db2.gz FXKCHWAQZXVTFA-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1F ZINC000531142220 562436127 /nfs/dbraw/zinc/43/61/27/562436127.db2.gz AJHZZNPFPNREIR-NSHDSACASA-N -1 1 369.374 2.265 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC000533175947 562500374 /nfs/dbraw/zinc/50/03/74/562500374.db2.gz CVCPFFUNNNIKAX-UHFFFAOYSA-N -1 1 360.395 2.443 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000533621988 562514668 /nfs/dbraw/zinc/51/46/68/562514668.db2.gz HVZYGUPNYYLXQG-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000826051576 601201382 /nfs/dbraw/zinc/20/13/82/601201382.db2.gz CSLNQKCCUFATJJ-ZBEGNZNMSA-N -1 1 357.366 2.245 20 5 FEBDMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820733 674512561 /nfs/dbraw/zinc/51/25/61/674512561.db2.gz BAXFJJILGOEXGU-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822866 674513112 /nfs/dbraw/zinc/51/31/12/674513112.db2.gz UZZXMENDZACJQR-DTWKUNHWSA-N -1 1 368.814 2.463 20 5 FEBDMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823197 674513181 /nfs/dbraw/zinc/51/31/81/674513181.db2.gz ISFNSMUHQLRAAT-SECBINFHSA-N -1 1 357.215 2.197 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CO)CCCC2)cc1Cl ZINC000809832151 674514333 /nfs/dbraw/zinc/51/43/33/674514333.db2.gz MLJMYTKOHVBWQK-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809844789 674516127 /nfs/dbraw/zinc/51/61/27/674516127.db2.gz WFKFGZPCWZWJGY-RCOVLWMOSA-N -1 1 354.812 2.417 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000824452880 605389515 /nfs/dbraw/zinc/38/95/15/605389515.db2.gz DDCVEQNQSIZREM-JTQLQIEISA-N -1 1 355.395 2.196 20 5 FEBDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833812955 605604314 /nfs/dbraw/zinc/60/43/14/605604314.db2.gz MNTXKMCVDLHPAO-NEPJUHHUSA-N -1 1 365.386 2.234 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc(-c2ccccc2)c[nH]1 ZINC000823625543 606704072 /nfs/dbraw/zinc/70/40/72/606704072.db2.gz XYVYNNKIVABWMR-UHFFFAOYSA-N -1 1 363.341 2.172 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc(-c2ccccc2)c[nH]1 ZINC000823625543 606704073 /nfs/dbraw/zinc/70/40/73/606704073.db2.gz XYVYNNKIVABWMR-UHFFFAOYSA-N -1 1 363.341 2.172 20 5 FEBDMM CCN(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(C)c1 ZINC000821216024 607164056 /nfs/dbraw/zinc/16/40/56/607164056.db2.gz ZIHIAVXVYRBDEB-UHFFFAOYSA-N -1 1 368.401 2.417 20 5 FEBDMM CCN(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(C)c1 ZINC000821216024 607164057 /nfs/dbraw/zinc/16/40/57/607164057.db2.gz ZIHIAVXVYRBDEB-UHFFFAOYSA-N -1 1 368.401 2.417 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826293740 607864425 /nfs/dbraw/zinc/86/44/25/607864425.db2.gz ZUVZHRNZWHMGHH-UHFFFAOYSA-N -1 1 372.316 2.240 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826293740 607864426 /nfs/dbraw/zinc/86/44/26/607864426.db2.gz ZUVZHRNZWHMGHH-UHFFFAOYSA-N -1 1 372.316 2.240 20 5 FEBDMM C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000814041087 674813833 /nfs/dbraw/zinc/81/38/33/674813833.db2.gz NBZAWBZRBUMFCX-LBPRGKRZSA-N -1 1 364.379 2.309 20 5 FEBDMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019828 674898662 /nfs/dbraw/zinc/89/86/62/674898662.db2.gz OLZFJOVVHCOEIP-YUMQZZPRSA-N -1 1 354.787 2.073 20 5 FEBDMM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032979 674903897 /nfs/dbraw/zinc/90/38/97/674903897.db2.gz QUWOXPKISXOPMS-JMCQJSRRSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC=CO1 ZINC000815036561 674905081 /nfs/dbraw/zinc/90/50/81/674905081.db2.gz YPYHRCMHWJBIOV-MRVPVSSYSA-N -1 1 350.755 2.358 20 5 FEBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000815061397 674909414 /nfs/dbraw/zinc/90/94/14/674909414.db2.gz SUXQUIFDNXCSLY-AWEZNQCLSA-N -1 1 362.835 2.468 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000815081875 674914115 /nfs/dbraw/zinc/91/41/15/674914115.db2.gz RLHQGAYHRFLCOA-LLVKDONJSA-N -1 1 354.787 2.215 20 5 FEBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815093855 674916241 /nfs/dbraw/zinc/91/62/41/674916241.db2.gz AGGYCLCIONNLLE-ISVAXAHUSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]O[C@H]1CCCCO1 ZINC000087234570 670685770 /nfs/dbraw/zinc/68/57/70/670685770.db2.gz UWFGAVHMZUVYDJ-ZDUSSCGKSA-N -1 1 359.176 2.474 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000577691973 671613463 /nfs/dbraw/zinc/61/34/63/671613463.db2.gz IUMHWSVQVQMKJR-AULYBMBSSA-N -1 1 351.359 2.353 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000120901712 671937488 /nfs/dbraw/zinc/93/74/88/671937488.db2.gz DGYJOYUEPUGTHO-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000610500220 675976171 /nfs/dbraw/zinc/97/61/71/675976171.db2.gz NYFBUUQLBUDLIR-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711749 675991219 /nfs/dbraw/zinc/99/12/19/675991219.db2.gz BEYUKAKKPLPRQZ-JTQLQIEISA-N -1 1 355.759 2.055 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000591263253 672662807 /nfs/dbraw/zinc/66/28/07/672662807.db2.gz ICKLFFWVWNMKJJ-NSHDSACASA-N -1 1 356.322 2.469 20 5 FEBDMM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594782298 673140913 /nfs/dbraw/zinc/14/09/13/673140913.db2.gz VVTOZIZAESJIKH-LBPRGKRZSA-N -1 1 367.358 2.103 20 5 FEBDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000595302788 673219310 /nfs/dbraw/zinc/21/93/10/673219310.db2.gz NIZTXDUPHMDBTB-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000537184155 673383769 /nfs/dbraw/zinc/38/37/69/673383769.db2.gz BQHXVBZVFCKTPY-ZANVPECISA-N -1 1 362.429 2.057 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1C[C@H](O)C1 ZINC000596556452 673393596 /nfs/dbraw/zinc/39/35/96/673393596.db2.gz QMIPJHWVZAQJRW-JOCQHMNTSA-N -1 1 363.395 2.331 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000538662274 673449990 /nfs/dbraw/zinc/44/99/90/673449990.db2.gz PZYUFCDHYMIYOK-RXMQYKEDSA-N -1 1 366.186 2.059 20 5 FEBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597691990 673499550 /nfs/dbraw/zinc/49/95/50/673499550.db2.gz IBHBLCWASPCFCC-UHFFFAOYSA-N -1 1 352.372 2.323 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599376250 673666154 /nfs/dbraw/zinc/66/61/54/673666154.db2.gz SEIKJTQMZXBYKL-IACUBPJLSA-N -1 1 365.798 2.260 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)o1 ZINC000544960634 673741536 /nfs/dbraw/zinc/74/15/36/673741536.db2.gz HDCDXHFIKLTMGN-UHFFFAOYSA-N -1 1 364.339 2.121 20 5 FEBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000743046863 673747709 /nfs/dbraw/zinc/74/77/09/673747709.db2.gz NZPUYBQSEZGRBW-UHFFFAOYSA-N -1 1 369.359 2.324 20 5 FEBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1F ZINC000548215777 673936046 /nfs/dbraw/zinc/93/60/46/673936046.db2.gz GGUYFNLIFLGZOK-UHFFFAOYSA-N -1 1 364.307 2.434 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000619466272 676377947 /nfs/dbraw/zinc/37/79/47/676377947.db2.gz GCDGIISTXIHLNN-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)O ZINC000830618884 677051171 /nfs/dbraw/zinc/05/11/71/677051171.db2.gz QHKGIYNBPBFTFQ-ZCFIWIBFSA-N -1 1 357.215 2.339 20 5 FEBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)COC1 ZINC000832488874 680139224 /nfs/dbraw/zinc/13/92/24/680139224.db2.gz UFUCMWGYDYXMSI-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000841548090 680895644 /nfs/dbraw/zinc/89/56/44/680895644.db2.gz FNUNDHBFTGDWGI-OLZOCXBDSA-N -1 1 360.819 2.484 20 5 FEBDMM CCc1cc(=O)[n-]c(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000767058372 680897817 /nfs/dbraw/zinc/89/78/17/680897817.db2.gz VALZCLOUPFYBNW-UHFFFAOYSA-N -1 1 369.424 2.219 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)cc1Cl 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561246264 /nfs/dbraw/zinc/24/62/64/561246264.db2.gz KUQXIJYHRMKTDG-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=C([O-])c1cc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc([N+](=O)[O-])c1 ZINC000485751125 561327242 /nfs/dbraw/zinc/32/72/42/561327242.db2.gz KNQLVMKZVNIWIB-UHFFFAOYSA-N -1 1 353.294 2.330 20 5 FEBDMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000486029979 561335912 /nfs/dbraw/zinc/33/59/12/561335912.db2.gz QLQYFGQKEDVSLR-MRXNPFEDSA-N -1 1 366.333 2.295 20 5 FEBDMM CC1CCN(c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000186953702 548227702 /nfs/dbraw/zinc/22/77/02/548227702.db2.gz KWGROZPZDATDBQ-UHFFFAOYSA-N -1 1 371.397 2.257 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281707663 551133278 /nfs/dbraw/zinc/13/32/78/551133278.db2.gz MNEXIQSJBBBKQP-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290424208 552476894 /nfs/dbraw/zinc/47/68/94/552476894.db2.gz 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562118089 /nfs/dbraw/zinc/11/80/89/562118089.db2.gz YLTHSUMNCAYYIR-UHFFFAOYSA-N -1 1 366.395 2.329 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000520674832 562161417 /nfs/dbraw/zinc/16/14/17/562161417.db2.gz ISBMIXLUIILVCZ-UHFFFAOYSA-N -1 1 360.395 2.313 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(SC)cc2)c([N+](=O)[O-])n1 ZINC000527118551 562277043 /nfs/dbraw/zinc/27/70/43/562277043.db2.gz OUCHARSYPKLRHW-UHFFFAOYSA-N -1 1 356.429 2.012 20 5 FEBDMM CC(C)C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000424958714 559681430 /nfs/dbraw/zinc/68/14/30/559681430.db2.gz XDSGFCQMUGCGRB-LBPRGKRZSA-N -1 1 367.402 2.429 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1 ZINC000431171907 559835341 /nfs/dbraw/zinc/83/53/41/559835341.db2.gz HKGASDBZGMUWJZ-UHFFFAOYSA-N -1 1 368.346 2.334 20 5 FEBDMM COc1cc(CCNC(=O)c2c([O-])cccc2F)c([N+](=O)[O-])cc1OC ZINC000436944693 559957129 /nfs/dbraw/zinc/95/71/29/559957129.db2.gz RBTRDQAGQFBQHM-UHFFFAOYSA-N -1 1 364.329 2.429 20 5 FEBDMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436989785 559958712 /nfs/dbraw/zinc/95/87/12/559958712.db2.gz SEFLGIZJIYDCDU-UHFFFAOYSA-N -1 1 366.351 2.052 20 5 FEBDMM CO[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445001070 560126334 /nfs/dbraw/zinc/12/63/34/560126334.db2.gz RPKMDPUNWFAXCB-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451657520 560320077 /nfs/dbraw/zinc/32/00/77/560320077.db2.gz WKSOSXYFAMNHOV-SSDOTTSWSA-N -1 1 362.351 2.292 20 5 FEBDMM CC(C)N1CCc2nc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021779 560381366 /nfs/dbraw/zinc/38/13/66/560381366.db2.gz GDHJPMHVDZJSCB-ONEGZZNKSA-N -1 1 363.399 2.189 20 5 FEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000470183073 560976415 /nfs/dbraw/zinc/97/64/15/560976415.db2.gz PFSJFBFMWBFFPY-XFXZXTDPSA-N -1 1 360.443 2.254 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000473769065 561057602 /nfs/dbraw/zinc/05/76/02/561057602.db2.gz ZETPCULAEZIIOX-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c([N+](=O)[O-])n1 ZINC000532855830 562490610 /nfs/dbraw/zinc/49/06/10/562490610.db2.gz ZTLKLDHKQCRJCX-UHFFFAOYSA-N -1 1 370.456 2.230 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)c([N+](=O)[O-])n1 ZINC000532855521 562490674 /nfs/dbraw/zinc/49/06/74/562490674.db2.gz VMWYKMMOLFAEON-CYBMUJFWSA-N -1 1 350.400 2.085 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000532949202 562493459 /nfs/dbraw/zinc/49/34/59/562493459.db2.gz ZJHRMEKVUXGZRJ-UHFFFAOYSA-N -1 1 370.456 2.190 20 5 FEBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000534980501 562546691 /nfs/dbraw/zinc/54/66/91/562546691.db2.gz UABVWTMTDXBGSM-QMMMGPOBSA-N -1 1 357.367 2.015 20 5 FEBDMM CS(=O)(=O)[N-]c1ccc(Oc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC000568687221 568122782 /nfs/dbraw/zinc/12/27/82/568122782.db2.gz LHICEIOGKFRXCP-UHFFFAOYSA-N -1 1 367.368 2.158 20 5 FEBDMM O=C([O-])c1c(NS(=O)(=O)CCOCC2CCCC2)cccc1[N+](=O)[O-] ZINC000569819370 568427345 /nfs/dbraw/zinc/42/73/45/568427345.db2.gz OXSXLDHINLTMFA-UHFFFAOYSA-N -1 1 372.399 2.242 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000808351188 674455643 /nfs/dbraw/zinc/45/56/43/674455643.db2.gz MZWYGVPYWGMERE-NSHDSACASA-N -1 1 370.333 2.155 20 5 FEBDMM Cc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198859 599309296 /nfs/dbraw/zinc/30/92/96/599309296.db2.gz MJMCNYVMPQWDRW-XFFZJAGNSA-N -1 1 366.293 2.021 20 5 FEBDMM Cc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198859 599309299 /nfs/dbraw/zinc/30/92/99/599309299.db2.gz MJMCNYVMPQWDRW-XFFZJAGNSA-N -1 1 366.293 2.021 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)s1 ZINC000558094423 674482958 /nfs/dbraw/zinc/48/29/58/674482958.db2.gz AZOPWGJYBFFLOQ-JTQLQIEISA-N -1 1 358.372 2.077 20 5 FEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)cc1-c1nnn[n-]1 ZINC000826498877 607449213 /nfs/dbraw/zinc/44/92/13/607449213.db2.gz MZIYZNXAIFJWJJ-LLVKDONJSA-N -1 1 354.326 2.027 20 5 FEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)cc1-c1nn[n-]n1 ZINC000826498877 607449215 /nfs/dbraw/zinc/44/92/15/607449215.db2.gz MZIYZNXAIFJWJJ-LLVKDONJSA-N -1 1 354.326 2.027 20 5 FEBDMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000833345322 601383321 /nfs/dbraw/zinc/38/33/21/601383321.db2.gz VBPIGJMOWKULNK-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM CCOCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000592979561 602316568 /nfs/dbraw/zinc/31/65/68/602316568.db2.gz QJEUCZHFXSPNJU-CYBMUJFWSA-N -1 1 351.403 2.148 20 5 FEBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821786 674512783 /nfs/dbraw/zinc/51/27/83/674512783.db2.gz RHZSPOOEVFSGPI-QMMMGPOBSA-N -1 1 354.787 2.217 20 5 FEBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834040 674514773 /nfs/dbraw/zinc/51/47/73/674514773.db2.gz VWCXHDLQDLICRW-QWRGUYRKSA-N -1 1 369.226 2.339 20 5 FEBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000611478502 604997654 /nfs/dbraw/zinc/99/76/54/604997654.db2.gz FZMFGQOGBGFQIU-SNVBAGLBSA-N -1 1 360.370 2.434 20 5 FEBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833812957 605604194 /nfs/dbraw/zinc/60/41/94/605604194.db2.gz MNTXKMCVDLHPAO-RYUDHWBXSA-N -1 1 365.386 2.234 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2nccs2)CC1 ZINC000823620795 606705424 /nfs/dbraw/zinc/70/54/24/606705424.db2.gz QIQFRIAYLFALIT-UHFFFAOYSA-N -1 1 358.387 2.010 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2nccs2)CC1 ZINC000823620795 606705426 /nfs/dbraw/zinc/70/54/26/606705426.db2.gz QIQFRIAYLFALIT-UHFFFAOYSA-N -1 1 358.387 2.010 20 5 FEBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826472481 607834485 /nfs/dbraw/zinc/83/44/85/607834485.db2.gz LOOWPLGINKCUJA-UHFFFAOYSA-N -1 1 356.367 2.429 20 5 FEBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826472481 607834486 /nfs/dbraw/zinc/83/44/86/607834486.db2.gz LOOWPLGINKCUJA-UHFFFAOYSA-N -1 1 356.367 2.429 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CCC1 ZINC000813721108 674774041 /nfs/dbraw/zinc/77/40/41/674774041.db2.gz OIIYSMUWLIVGPX-CQSZACIVSA-N -1 1 360.407 2.199 20 5 FEBDMM CC(Nc1ccccc1[N+](=O)[O-])=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814344870 674832610 /nfs/dbraw/zinc/83/26/10/674832610.db2.gz IDKQEGBJJRGBKL-JLHYYAGUSA-N -1 1 362.411 2.180 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(O)CCCCC1 ZINC000815015064 674896494 /nfs/dbraw/zinc/89/64/94/674896494.db2.gz FVFJAURKFFZEOQ-UHFFFAOYSA-N -1 1 366.798 2.361 20 5 FEBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018824 674898489 /nfs/dbraw/zinc/89/84/89/674898489.db2.gz CDWBZGDZWFITPB-SECBINFHSA-N -1 1 368.814 2.464 20 5 FEBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022706 674899794 /nfs/dbraw/zinc/89/97/94/674899794.db2.gz WPKZWHFNZFPUKI-RKDXNWHRSA-N -1 1 368.814 2.463 20 5 FEBDMM Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815033356 674903808 /nfs/dbraw/zinc/90/38/08/674903808.db2.gz DXBUTFXCYVYVQY-UHFFFAOYSA-N -1 1 359.766 2.448 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCC1(O)CCC1 ZINC000817146824 675104940 /nfs/dbraw/zinc/10/49/40/675104940.db2.gz VWLAMJJQXXYGSY-UHFFFAOYSA-N -1 1 366.798 2.361 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000565238612 675105267 /nfs/dbraw/zinc/10/52/67/675105267.db2.gz XOSYREWXLBIHNE-CMPLNLGQSA-N -1 1 370.818 2.299 20 5 FEBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000101570203 670768376 /nfs/dbraw/zinc/76/83/76/670768376.db2.gz OMFASPWEJJXAGO-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000609871858 675940661 /nfs/dbraw/zinc/94/06/61/675940661.db2.gz YZVXBWWMMNDSHS-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121463480 671950058 /nfs/dbraw/zinc/95/00/58/671950058.db2.gz PVRUCRNLQCKPIY-CYBMUJFWSA-N -1 1 354.359 2.136 20 5 FEBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590564038 672589726 /nfs/dbraw/zinc/58/97/26/672589726.db2.gz CDVUWQLYAQIDCJ-UHFFFAOYSA-N -1 1 355.148 2.276 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC[C@@H](C)O)cc1 ZINC000591772080 672710186 /nfs/dbraw/zinc/71/01/86/672710186.db2.gz MRDZIDUIRMMCGQ-GFCCVEGCSA-N -1 1 365.411 2.497 20 5 FEBDMM CC[C@@H](OCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000593627706 672962562 /nfs/dbraw/zinc/96/25/62/672962562.db2.gz ZPBBWUJURACFBX-CQSZACIVSA-N -1 1 365.411 2.436 20 5 FEBDMM COCCCOC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593738502 672985583 /nfs/dbraw/zinc/98/55/83/672985583.db2.gz FTIFHECMGUXPJK-UHFFFAOYSA-N -1 1 352.387 2.311 20 5 FEBDMM COC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725822557 673092717 /nfs/dbraw/zinc/09/27/17/673092717.db2.gz AYAGLBZMTQSDSH-UHFFFAOYSA-N -1 1 364.807 2.260 20 5 FEBDMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000594838347 673157815 /nfs/dbraw/zinc/15/78/15/673157815.db2.gz XEWMATHBXTWCSN-YGUOUDRMSA-N -1 1 370.427 2.136 20 5 FEBDMM COc1cccc(C2([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])CCC2)c1 ZINC000595373187 673236018 /nfs/dbraw/zinc/23/60/18/673236018.db2.gz XXYLGYDYETWGDZ-UHFFFAOYSA-N -1 1 363.395 2.356 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3c(C)cccc32)c([N+](=O)[O-])n1 ZINC000595389594 673239880 /nfs/dbraw/zinc/23/98/80/673239880.db2.gz JAIDAIWTOFAZIU-CQSZACIVSA-N -1 1 364.427 2.476 20 5 FEBDMM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462587853 673266479 /nfs/dbraw/zinc/26/64/79/673266479.db2.gz BAIKOHRBJATDQW-SNVBAGLBSA-N -1 1 372.424 2.411 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000537417248 673388689 /nfs/dbraw/zinc/38/86/89/673388689.db2.gz RIZOWHMOWVHDAQ-UHFFFAOYSA-N -1 1 364.383 2.447 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1cccnc1 ZINC000734003388 673448784 /nfs/dbraw/zinc/44/87/84/673448784.db2.gz MRNMSVPUZXMZAF-UHFFFAOYSA-N -1 1 357.775 2.001 20 5 FEBDMM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734848333 673474586 /nfs/dbraw/zinc/47/45/86/673474586.db2.gz NKLGSLLVHUPDRF-ZDUSSCGKSA-N -1 1 366.374 2.188 20 5 FEBDMM CNc1nccc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1[N+](=O)[O-] ZINC000597871858 673514738 /nfs/dbraw/zinc/51/47/38/673514738.db2.gz LAAKBMUEYFMXSM-UHFFFAOYSA-N -1 1 350.404 2.724 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540424803 673538861 /nfs/dbraw/zinc/53/88/61/673538861.db2.gz YNPKOVYFOBQUHF-SECBINFHSA-N -1 1 358.383 2.342 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598609090 673589918 /nfs/dbraw/zinc/58/99/18/673589918.db2.gz VPRWJMWJQQANPF-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OC)c1 ZINC000599363019 673664160 /nfs/dbraw/zinc/66/41/60/673664160.db2.gz NTYWPSBEOVPSCP-GFCCVEGCSA-N -1 1 372.424 2.331 20 5 FEBDMM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742312908 673721312 /nfs/dbraw/zinc/72/13/12/673721312.db2.gz NUBMWKICRBATMC-UHFFFAOYSA-N -1 1 367.358 2.171 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000614482149 676177513 /nfs/dbraw/zinc/17/75/13/676177513.db2.gz PLIJAVVAPAZJGO-UHFFFAOYSA-N -1 1 360.294 2.388 20 5 FEBDMM COC(=O)c1nsc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000567816953 675326357 /nfs/dbraw/zinc/32/63/57/675326357.db2.gz OOLGZIJIZZTHIH-UHFFFAOYSA-N -1 1 354.369 2.207 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(CO)CC2)c(Cl)cc1Cl ZINC000832450170 680135587 /nfs/dbraw/zinc/13/55/87/680135587.db2.gz DUSUQJLKAYVKLU-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000756396293 680476371 /nfs/dbraw/zinc/47/63/71/680476371.db2.gz VQXDNJNIFVJIPD-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000759050661 680623611 /nfs/dbraw/zinc/62/36/11/680623611.db2.gz WORFHDZXKNPPLB-CYBMUJFWSA-N -1 1 358.416 2.136 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(C)C ZINC000841562020 680898310 /nfs/dbraw/zinc/89/83/10/680898310.db2.gz TWDAKDZYAPIXNQ-ZWNOBZJWSA-N -1 1 368.814 2.461 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)cc1Cl ZINC000841571047 680900548 /nfs/dbraw/zinc/90/05/48/680900548.db2.gz CZYNTHXVUGWZJC-DTWKUNHWSA-N -1 1 366.798 2.217 20 5 FEBDMM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768867180 680962513 /nfs/dbraw/zinc/96/25/13/680962513.db2.gz UEULUENCPPJPHB-CYBMUJFWSA-N -1 1 353.425 2.121 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 ZINC000769050405 680969163 /nfs/dbraw/zinc/96/91/63/680969163.db2.gz VINQASHJDJMKDR-UHFFFAOYSA-N -1 1 364.741 2.427 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1COC2(CCC2)C1 ZINC000849449120 681740488 /nfs/dbraw/zinc/74/04/88/681740488.db2.gz WJIGNCIVJMZEJA-QMMMGPOBSA-N -1 1 364.782 2.377 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2SCCS2)cc1Cl ZINC000851835347 682155561 /nfs/dbraw/zinc/15/55/61/682155561.db2.gz PTYUPFBEPSXYSG-UHFFFAOYSA-N -1 1 372.852 2.472 20 5 FEBDMM COC(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000789930495 682639186 /nfs/dbraw/zinc/63/91/86/682639186.db2.gz SIJJWRYLBOTPEH-UHFFFAOYSA-N -1 1 351.702 2.388 20 5 FEBDMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421537 682741954 /nfs/dbraw/zinc/74/19/54/682741954.db2.gz PITLSHCGWGBSHO-SNVBAGLBSA-N -1 1 357.215 2.197 20 5 FEBDMM CON(C)C(=O)[C@H](C)[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000858833906 683005749 /nfs/dbraw/zinc/00/57/49/683005749.db2.gz KLLSDRHGEQJUCM-LURJTMIESA-N -1 1 366.252 2.342 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859340372 683087121 /nfs/dbraw/zinc/08/71/21/683087121.db2.gz FKJHKEQCAQRMNY-ZYPMPIKKSA-N -1 1 366.798 2.478 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000859368322 683095296 /nfs/dbraw/zinc/09/52/96/683095296.db2.gz YCPDNDHXWDSCAY-UFBFGSQYSA-N -1 1 364.782 2.233 20 5 FEBDMM C[NH+](C)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000795946067 683111629 /nfs/dbraw/zinc/11/16/29/683111629.db2.gz USRRRQKXEDHOFN-UHFFFAOYSA-N -1 1 365.814 2.150 20 5 FEBDMM CCCN(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000859598085 683132899 /nfs/dbraw/zinc/13/28/99/683132899.db2.gz VBBHNOOQSRDGEY-UHFFFAOYSA-N -1 1 364.276 2.258 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1C ZINC000032087362 539928512 /nfs/dbraw/zinc/92/85/12/539928512.db2.gz YTSQNHLLCZEWIW-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000032592296 539944263 /nfs/dbraw/zinc/94/42/63/539944263.db2.gz RNBNQHWUFPXWLS-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800927846 674090235 /nfs/dbraw/zinc/09/02/35/674090235.db2.gz DQDIDFPJECVFMY-UHFFFAOYSA-N -1 1 371.302 2.452 20 5 FEBDMM COc1cc([N+](=O)[O-])c(C(=O)NCc2n[n-]c(=S)n2C)cc1SC ZINC000066625467 541349610 /nfs/dbraw/zinc/34/96/10/541349610.db2.gz OVPIXEDMBIAGHR-UHFFFAOYSA-N -1 1 369.428 2.046 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000081945157 542680638 /nfs/dbraw/zinc/68/06/38/542680638.db2.gz PGJNVUNOLPTXQS-UHFFFAOYSA-N -1 1 358.398 2.257 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000266337260 329212662 /nfs/dbraw/zinc/21/26/62/329212662.db2.gz UQTGMGNMHRRPHD-QMMMGPOBSA-N -1 1 367.246 2.141 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000080788076 325143298 /nfs/dbraw/zinc/14/32/98/325143298.db2.gz AGRGXLMZLXHXBU-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119140695 326131024 /nfs/dbraw/zinc/13/10/24/326131024.db2.gz RNTKOEQZBJINSX-LBPRGKRZSA-N -1 1 350.824 2.324 20 5 FEBDMM O=C(NCCOCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000152807863 326717005 /nfs/dbraw/zinc/71/70/05/326717005.db2.gz WYNLYPVVQIHIJK-UHFFFAOYSA-N -1 1 351.746 2.295 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167266589 327084241 /nfs/dbraw/zinc/08/42/41/327084241.db2.gz DBHHCJHFCAXATI-LKTVYLICSA-N -1 1 370.402 2.360 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccoc1 ZINC000171422723 327138497 /nfs/dbraw/zinc/13/84/97/327138497.db2.gz VOEAIQOETOIBKV-UHFFFAOYSA-N -1 1 361.173 2.429 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CCO3)c1 ZINC000478704738 561173138 /nfs/dbraw/zinc/17/31/38/561173138.db2.gz NNPFJFSLECSHQO-UHFFFAOYSA-N -1 1 364.335 2.029 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000178710833 546836365 /nfs/dbraw/zinc/83/63/65/546836365.db2.gz BWKSXPFPBNDETB-JSGCOSHPSA-N -1 1 368.798 2.185 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000483201176 561270361 /nfs/dbraw/zinc/27/03/61/561270361.db2.gz TVSXHKUPFVVOLR-UHFFFAOYSA-N -1 1 365.349 2.080 20 5 FEBDMM Cc1ccc(NC(=O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000484280713 561295558 /nfs/dbraw/zinc/29/55/58/561295558.db2.gz YUOWPOHQSKVNPH-UHFFFAOYSA-N -1 1 364.745 2.026 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000185748615 548029558 /nfs/dbraw/zinc/02/95/58/548029558.db2.gz OTFUHQVPHWEDQW-AWEZNQCLSA-N -1 1 357.366 2.374 20 5 FEBDMM Cn1cc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000194027894 548425004 /nfs/dbraw/zinc/42/50/04/548425004.db2.gz VQXYUXAGAVDBMT-HNNXBMFYSA-N -1 1 371.328 2.087 20 5 FEBDMM CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C1CCOCC1 ZINC000487985926 561380619 /nfs/dbraw/zinc/38/06/19/561380619.db2.gz IBKWCLPUQGLVEC-UHFFFAOYSA-N -1 1 372.381 2.426 20 5 FEBDMM COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249113885 549554814 /nfs/dbraw/zinc/55/48/14/549554814.db2.gz AZCKUXSTDJINEG-STQMWFEESA-N -1 1 371.459 2.002 20 5 FEBDMM CCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263897615 549952505 /nfs/dbraw/zinc/95/25/05/549952505.db2.gz AAVXXGARSAHZQC-UHFFFAOYSA-N -1 1 367.221 2.062 20 5 FEBDMM CN(C)c1cc(F)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000279225916 550866878 /nfs/dbraw/zinc/86/68/78/550866878.db2.gz PPPHJTGWHRITTL-UHFFFAOYSA-N -1 1 362.243 2.189 20 5 FEBDMM COCCCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000286093094 551847769 /nfs/dbraw/zinc/84/77/69/551847769.db2.gz WRODHUTWEPKOGE-UHFFFAOYSA-N -1 1 361.354 2.041 20 5 FEBDMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccnc1-2 ZINC000287662197 552031681 /nfs/dbraw/zinc/03/16/81/552031681.db2.gz PSBUADLGXCZSDL-PGMHBOJBSA-N -1 1 366.381 2.447 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])n1 ZINC000501183263 561592023 /nfs/dbraw/zinc/59/20/23/561592023.db2.gz CTSOGZYOHUBTSW-QMMMGPOBSA-N -1 1 360.342 2.129 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291122304 552589540 /nfs/dbraw/zinc/58/95/40/552589540.db2.gz NMODFUZPIUHFBU-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291138377 552591892 /nfs/dbraw/zinc/59/18/92/552591892.db2.gz XLWPTTIBBBQVRK-SECBINFHSA-N -1 1 374.444 2.159 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nn[n-]n1 ZINC000293412398 552820800 /nfs/dbraw/zinc/82/08/00/552820800.db2.gz GHENSIAZABXPHV-ZETCQYMHSA-N -1 1 358.280 2.002 20 5 FEBDMM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298854688 553481376 /nfs/dbraw/zinc/48/13/76/553481376.db2.gz PEVPPOAUMXBVJD-CYBMUJFWSA-N -1 1 373.369 2.476 20 5 FEBDMM COCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000505476934 561671801 /nfs/dbraw/zinc/67/18/01/561671801.db2.gz PPAMNMWJEHRITI-UHFFFAOYSA-N -1 1 361.354 2.041 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000327429448 553789139 /nfs/dbraw/zinc/78/91/39/553789139.db2.gz DGOYPKMKWSZZCD-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000327869729 553792085 /nfs/dbraw/zinc/79/20/85/553792085.db2.gz QNMVXFJPUDPAIF-UHFFFAOYSA-N -1 1 366.351 2.362 20 5 FEBDMM O=C(CCS(=O)(=O)c1ccc([O-])cc1)Nc1ccccc1[N+](=O)[O-] ZINC000507692276 561738318 /nfs/dbraw/zinc/73/83/18/561738318.db2.gz KSZNKERRZUSHKS-UHFFFAOYSA-N -1 1 350.352 2.103 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000509215925 561790358 /nfs/dbraw/zinc/79/03/58/561790358.db2.gz CUBGNPQGIPPNCJ-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332318875 554424592 /nfs/dbraw/zinc/42/45/92/554424592.db2.gz NIZVWNYRMIKCSZ-VIFPVBQESA-N -1 1 364.383 2.425 20 5 FEBDMM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364769410 555397669 /nfs/dbraw/zinc/39/76/69/555397669.db2.gz JXMZQHKEHDLURF-ZDUSSCGKSA-N -1 1 356.382 2.342 20 5 FEBDMM CCCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000374466490 557887697 /nfs/dbraw/zinc/88/76/97/557887697.db2.gz JFNYFJHRKYURFZ-UHFFFAOYSA-N -1 1 359.386 2.322 20 5 FEBDMM Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375098610 557977676 /nfs/dbraw/zinc/97/76/76/557977676.db2.gz CBEYEYYXBMACQZ-WBMJQRKESA-N -1 1 370.409 2.254 20 5 FEBDMM O=C(NCCc1ccc(Br)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000522715277 562202592 /nfs/dbraw/zinc/20/25/92/562202592.db2.gz BCQCBFOLYHXUBE-UHFFFAOYSA-N -1 1 366.171 2.430 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000525698543 562252618 /nfs/dbraw/zinc/25/26/18/562252618.db2.gz ORPLOOWXWBJAGS-UHFFFAOYSA-N -1 1 358.379 2.059 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000414476407 559167489 /nfs/dbraw/zinc/16/74/89/559167489.db2.gz JUGBOSBXJHGKMQ-NSHDSACASA-N -1 1 356.322 2.469 20 5 FEBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000416564879 559322220 /nfs/dbraw/zinc/32/22/20/559322220.db2.gz SDUVWAHSWQFRKD-NWDGAFQWSA-N -1 1 360.819 2.484 20 5 FEBDMM CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000421149188 559526679 /nfs/dbraw/zinc/52/66/79/559526679.db2.gz HGIWQRMGPKWDOY-CYBMUJFWSA-N -1 1 360.388 2.096 20 5 FEBDMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000425321969 559696714 /nfs/dbraw/zinc/69/67/14/559696714.db2.gz ICINDPJOCSXZRN-UHFFFAOYSA-N -1 1 353.375 2.183 20 5 FEBDMM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000432295271 559855733 /nfs/dbraw/zinc/85/57/33/559855733.db2.gz VPMMWQNQZCMFNU-OAHLLOKOSA-N -1 1 366.399 2.031 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000433367424 559878773 /nfs/dbraw/zinc/87/87/73/559878773.db2.gz QNUPXJIROGYTMJ-UHFFFAOYSA-N -1 1 374.846 2.469 20 5 FEBDMM COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000434560590 559902627 /nfs/dbraw/zinc/90/26/27/559902627.db2.gz ZBKCFLMPQUSGIW-UHFFFAOYSA-N -1 1 353.718 2.380 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000435803343 559930348 /nfs/dbraw/zinc/93/03/48/559930348.db2.gz FFPOAPKZYHAKBJ-ZDUSSCGKSA-N -1 1 368.415 2.249 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000436153592 559936250 /nfs/dbraw/zinc/93/62/50/559936250.db2.gz MDSADBILOJCASB-UHFFFAOYSA-N -1 1 350.352 2.173 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990687 559958776 /nfs/dbraw/zinc/95/87/76/559958776.db2.gz PIODBIVFZLGAPE-CQSZACIVSA-N -1 1 353.338 2.132 20 5 FEBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])cnc3N)[nH][n-]2)c1 ZINC000444819225 560121554 /nfs/dbraw/zinc/12/15/54/560121554.db2.gz YIWIHBIIURNSTO-UHFFFAOYSA-N -1 1 356.317 2.662 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000451660636 560320409 /nfs/dbraw/zinc/32/04/09/560320409.db2.gz GNHPUESAHJGACW-LBPRGKRZSA-N -1 1 356.425 2.192 20 5 FEBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1O ZINC000471133072 560998944 /nfs/dbraw/zinc/99/89/44/560998944.db2.gz KZCGNZOPGROPJN-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1F ZINC000531142219 562436037 /nfs/dbraw/zinc/43/60/37/562436037.db2.gz AJHZZNPFPNREIR-LLVKDONJSA-N -1 1 369.374 2.265 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2C)c([N+](=O)[O-])n1 ZINC000532854816 562490787 /nfs/dbraw/zinc/49/07/87/562490787.db2.gz NTKIQQFDERPQAG-UHFFFAOYSA-N -1 1 366.443 2.419 20 5 FEBDMM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000533094832 562498130 /nfs/dbraw/zinc/49/81/30/562498130.db2.gz IEKGETLZLYBKKW-UHFFFAOYSA-N -1 1 371.459 2.236 20 5 FEBDMM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000534638801 562538790 /nfs/dbraw/zinc/53/87/90/562538790.db2.gz JEQOOQDEYSRSSI-GFCCVEGCSA-N -1 1 365.411 2.156 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000541126799 562603909 /nfs/dbraw/zinc/60/39/09/562603909.db2.gz ARFLQMIZOSYUFQ-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808340934 674454219 /nfs/dbraw/zinc/45/42/19/674454219.db2.gz AYKDNJKCNMUWJG-ZUZCIYMTSA-N -1 1 354.359 2.134 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808340933 674454262 /nfs/dbraw/zinc/45/42/62/674454262.db2.gz AYKDNJKCNMUWJG-MEBBXXQBSA-N -1 1 354.359 2.134 20 5 FEBDMM COc1ccc([C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(=O)[O-])cc1 ZINC000737970627 599857934 /nfs/dbraw/zinc/85/79/34/599857934.db2.gz NFRXARYFVHAXPA-INIZCTEOSA-N -1 1 374.349 2.385 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738477054 600303093 /nfs/dbraw/zinc/30/30/93/600303093.db2.gz DSZFRIIZIZFHCX-UHFFFAOYSA-N -1 1 365.367 2.472 20 5 FEBDMM O=C([O-])CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000739712413 600539742 /nfs/dbraw/zinc/53/97/42/600539742.db2.gz UKFJRXKBFBQZKQ-UHFFFAOYSA-N -1 1 354.319 2.245 20 5 FEBDMM COc1ccc(OCC[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000565601094 600981127 /nfs/dbraw/zinc/98/11/27/600981127.db2.gz SVDGNEYMEKNBJP-QGZVFWFLSA-N -1 1 372.377 2.494 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000809821272 674512973 /nfs/dbraw/zinc/51/29/73/674512973.db2.gz KEVLWVBQMVPEBV-QPUJVOFHSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558764938 674514872 /nfs/dbraw/zinc/51/48/72/674514872.db2.gz PGYAWIDGHNGVMI-UHFFFAOYSA-N -1 1 361.745 2.129 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1[N+](=O)[O-] ZINC000824453597 605373750 /nfs/dbraw/zinc/37/37/50/605373750.db2.gz PXAGIRIEZFJSJE-VHSXEESVSA-N -1 1 353.379 2.092 20 5 FEBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823410247 606134800 /nfs/dbraw/zinc/13/48/00/606134800.db2.gz TYFRNYGUMRNASU-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823410247 606134802 /nfs/dbraw/zinc/13/48/02/606134802.db2.gz TYFRNYGUMRNASU-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(-c2nn[nH]n2)cs1 ZINC000823299371 606487569 /nfs/dbraw/zinc/48/75/69/606487569.db2.gz UPILSMJRVNMQIQ-UHFFFAOYSA-N -1 1 352.282 2.367 20 5 FEBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cncs1 ZINC000826450723 608162241 /nfs/dbraw/zinc/16/22/41/608162241.db2.gz ALTCWYBVZPZRMF-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM CC(C)(C)Oc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000824124242 608439358 /nfs/dbraw/zinc/43/93/58/608439358.db2.gz RJEQUAZYMYGRER-UHFFFAOYSA-N -1 1 370.373 2.354 20 5 FEBDMM CC(C)(C)Oc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000824124242 608439360 /nfs/dbraw/zinc/43/93/60/608439360.db2.gz RJEQUAZYMYGRER-UHFFFAOYSA-N -1 1 370.373 2.354 20 5 FEBDMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000813744804 674776481 /nfs/dbraw/zinc/77/64/81/674776481.db2.gz VGVBEKQEWUVJKP-UHFFFAOYSA-N -1 1 354.787 2.338 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000815018173 674897995 /nfs/dbraw/zinc/89/79/95/674897995.db2.gz IPJLSHPZBFOGNV-SFYZADRCSA-N -1 1 352.771 2.091 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000815024799 674900777 /nfs/dbraw/zinc/90/07/77/674900777.db2.gz NGGSNORFPXSIOX-MRVPVSSYSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)CC1 ZINC000815027902 674901748 /nfs/dbraw/zinc/90/17/48/674901748.db2.gz ZDKVJKXXJGGKQX-DTORHVGOSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039349 674905398 /nfs/dbraw/zinc/90/53/98/674905398.db2.gz VFMUOMDIHLDBOT-XCBNKYQSSA-N -1 1 352.771 2.091 20 5 FEBDMM COc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101570680 670768629 /nfs/dbraw/zinc/76/86/29/670768629.db2.gz GNAILRZNTWLVKS-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608908936 675906958 /nfs/dbraw/zinc/90/69/58/675906958.db2.gz CJNLUVMGVCKLTO-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000609657795 675931016 /nfs/dbraw/zinc/93/10/16/675931016.db2.gz CKPQAVRKSJGHBN-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM COC(=O)CCCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000610055681 675948877 /nfs/dbraw/zinc/94/88/77/675948877.db2.gz RQZPHYUBMFKFIC-UHFFFAOYSA-N -1 1 368.346 2.333 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccc(F)cc1 ZINC000119340382 671897222 /nfs/dbraw/zinc/89/72/22/671897222.db2.gz XLDWQGWYOQEFEW-SDBXPKJASA-N -1 1 360.388 2.196 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000610262370 675962229 /nfs/dbraw/zinc/96/22/29/675962229.db2.gz JJEZNZMQFXHAPE-UHFFFAOYSA-N -1 1 373.337 2.112 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000610263539 675962537 /nfs/dbraw/zinc/96/25/37/675962537.db2.gz FDWFCTCBOZWDEI-UHFFFAOYSA-N -1 1 358.379 2.059 20 5 FEBDMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000583506933 672101656 /nfs/dbraw/zinc/10/16/56/672101656.db2.gz JJNDHJDYMCNWES-UHFFFAOYSA-N -1 1 353.375 2.326 20 5 FEBDMM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714070 675991260 /nfs/dbraw/zinc/99/12/60/675991260.db2.gz JNHWLDYLNDQEDX-WCBMZHEXSA-N -1 1 368.781 2.186 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000610786526 675996642 /nfs/dbraw/zinc/99/66/42/675996642.db2.gz CYKYYIXDQGSXDW-GFCCVEGCSA-N -1 1 371.802 2.309 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000159050926 672276899 /nfs/dbraw/zinc/27/68/99/672276899.db2.gz UWSWIWWJFMIIJF-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)s1 ZINC000159324430 672280527 /nfs/dbraw/zinc/28/05/27/672280527.db2.gz WYFJWUAEYGZZET-SNVBAGLBSA-N -1 1 362.816 2.322 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1cccc(F)c1 ZINC000160053940 672288482 /nfs/dbraw/zinc/28/84/82/672288482.db2.gz AJBDMYYIVGWEII-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccn1C(F)F ZINC000173965088 672356398 /nfs/dbraw/zinc/35/63/98/672356398.db2.gz PXZIODGPXDEHPG-UHFFFAOYSA-N -1 1 366.733 2.318 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)c([N+](=O)[O-])n1 ZINC000592067706 672746175 /nfs/dbraw/zinc/74/61/75/672746175.db2.gz UDJARPOFLFTHBP-UHFFFAOYSA-N -1 1 350.400 2.087 20 5 FEBDMM CCOc1ncccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194341575 672757105 /nfs/dbraw/zinc/75/71/05/672757105.db2.gz OPDWMJOYYFUMSV-UHFFFAOYSA-N -1 1 355.347 2.006 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000725827833 673093491 /nfs/dbraw/zinc/09/34/91/673093491.db2.gz ZGUWUVKYJHANGU-UHFFFAOYSA-N -1 1 370.770 2.455 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000594724883 673123888 /nfs/dbraw/zinc/12/38/88/673123888.db2.gz ZXQRDZKCARCEJW-TZMCWYRMSA-N -1 1 358.416 2.005 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595414982 673247191 /nfs/dbraw/zinc/24/71/91/673247191.db2.gz PFXLCYZXVBVTAH-NSHDSACASA-N -1 1 363.395 2.354 20 5 FEBDMM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000462701400 673276886 /nfs/dbraw/zinc/27/68/86/673276886.db2.gz HWRFUPKVSYXMDC-JTQLQIEISA-N -1 1 372.424 2.411 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000537593629 673396106 /nfs/dbraw/zinc/39/61/06/673396106.db2.gz GINWGYVVAJCHBB-ABAIWWIYSA-N -1 1 364.427 2.413 20 5 FEBDMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000544182977 673696444 /nfs/dbraw/zinc/69/64/44/673696444.db2.gz ACUHRPVONVQXQG-RKDXNWHRSA-N -1 1 364.807 2.114 20 5 FEBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742320315 673721912 /nfs/dbraw/zinc/72/19/12/673721912.db2.gz FRWYGMGDQMUGEU-UHFFFAOYSA-N -1 1 369.330 2.163 20 5 FEBDMM CC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cc1 ZINC000547894109 673899279 /nfs/dbraw/zinc/89/92/79/673899279.db2.gz IJMDZKCZUYFNDF-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820063973 675333827 /nfs/dbraw/zinc/33/38/27/675333827.db2.gz QDSGLWBBLRGSQY-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000828288181 675810794 /nfs/dbraw/zinc/81/07/94/675810794.db2.gz CBYAKUIYUWCJCX-NKWVEPMBSA-N -1 1 355.199 2.357 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000619466410 676377927 /nfs/dbraw/zinc/37/79/27/676377927.db2.gz CVIKXYMQZKTMQJ-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCOC(=O)[C@]1(COC)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000619613047 676388043 /nfs/dbraw/zinc/38/80/43/676388043.db2.gz QUJWXPJWRQPAAI-QGZVFWFLSA-N -1 1 352.387 2.092 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000763365034 680781236 /nfs/dbraw/zinc/78/12/36/680781236.db2.gz LELQQKUTGWRBMY-SNVBAGLBSA-N -1 1 362.379 2.133 20 5 FEBDMM CC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OCC(C)C ZINC000748208868 679942101 /nfs/dbraw/zinc/94/21/01/679942101.db2.gz RFWCUTZEUVSBLR-AWEZNQCLSA-N -1 1 365.411 2.292 20 5 FEBDMM C[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000832030981 680079203 /nfs/dbraw/zinc/07/92/03/680079203.db2.gz SWQGFBOMEVHHOB-NHCYSSNCSA-N -1 1 367.368 2.126 20 5 FEBDMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751248714 680162853 /nfs/dbraw/zinc/16/28/53/680162853.db2.gz JYDBHPTXIRJWJJ-JTQLQIEISA-N -1 1 354.359 2.349 20 5 FEBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469233 680179971 /nfs/dbraw/zinc/17/99/71/680179971.db2.gz WAWOKSQTQOYRMS-GXSJLCMTSA-N -1 1 350.824 2.324 20 5 FEBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000845969617 681167077 /nfs/dbraw/zinc/16/70/77/681167077.db2.gz ROPHXQNOVQWXTQ-GXSJLCMTSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000777930096 681545093 /nfs/dbraw/zinc/54/50/93/681545093.db2.gz GONQYKUUXZTUIB-UHFFFAOYSA-N -1 1 365.342 2.087 20 5 FEBDMM C[C@@H](O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000851831158 682152217 /nfs/dbraw/zinc/15/22/17/682152217.db2.gz NZDNUAUOVUIBFI-ZCFIWIBFSA-N -1 1 355.199 2.093 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000784487405 682232844 /nfs/dbraw/zinc/23/28/44/682232844.db2.gz RLPHYMFUHGEAFF-ZIAGYGMSSA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2C1 ZINC000918194833 685537875 /nfs/dbraw/zinc/53/78/75/685537875.db2.gz YNIGCWXZXCKKHA-LLVKDONJSA-N -1 1 366.370 2.264 20 5 FEBDMM CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(I)c1 ZINC000795579180 683069420 /nfs/dbraw/zinc/06/94/20/683069420.db2.gz HIWANEHAPDBHBW-UHFFFAOYSA-N -1 1 370.168 2.351 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2cscn2)cc1Cl ZINC000798227234 683324685 /nfs/dbraw/zinc/32/46/85/683324685.db2.gz NHGQBRCMKSCYAH-UHFFFAOYSA-N -1 1 365.795 2.365 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800156733 674026997 /nfs/dbraw/zinc/02/69/97/674026997.db2.gz HXENTRBRLPLFEY-LBPRGKRZSA-N -1 1 353.787 2.089 20 5 FEBDMM COc1ccc(Cl)cc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025457430 539760415 /nfs/dbraw/zinc/76/04/15/539760415.db2.gz VQFRYOSAMCFXAA-UHFFFAOYSA-N -1 1 351.746 2.217 20 5 FEBDMM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000800967497 674095095 /nfs/dbraw/zinc/09/50/95/674095095.db2.gz MVFGLRVGBZWZJU-LBPRGKRZSA-N -1 1 356.425 2.285 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000055404673 540651140 /nfs/dbraw/zinc/65/11/40/540651140.db2.gz IWXKJXXTPCKWTB-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CC(C)n1c(CNC(=O)COc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000066640693 541352876 /nfs/dbraw/zinc/35/28/76/541352876.db2.gz PBDLPNYSXFRVNO-UHFFFAOYSA-N -1 1 351.388 2.125 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000186276045 327954941 /nfs/dbraw/zinc/95/49/41/327954941.db2.gz GKAKIQYUTBSQTL-UHFFFAOYSA-N -1 1 360.407 2.345 20 5 FEBDMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187215565 328009408 /nfs/dbraw/zinc/00/94/08/328009408.db2.gz BGVRKFRJZAZQAD-GFCCVEGCSA-N -1 1 360.345 2.233 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000189533290 328153510 /nfs/dbraw/zinc/15/35/10/328153510.db2.gz MGFSBKLUUGDICC-AWEZNQCLSA-N -1 1 365.292 2.187 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C(N)=O ZINC000191795824 328282219 /nfs/dbraw/zinc/28/22/19/328282219.db2.gz DNZQSPQVTGEIOV-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM O=C(NCc1ncc(-c2ccccc2)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194011292 328406751 /nfs/dbraw/zinc/40/67/51/328406751.db2.gz LWGJAHDROBESJQ-UHFFFAOYSA-N -1 1 351.322 2.082 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000194036497 328407906 /nfs/dbraw/zinc/40/79/06/328407906.db2.gz WFFOHTJLXCRBPW-AWEZNQCLSA-N -1 1 365.292 2.187 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000016494454 324386422 /nfs/dbraw/zinc/38/64/22/324386422.db2.gz ROFKRUPQXPBFJO-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024154522 324407854 /nfs/dbraw/zinc/40/78/54/324407854.db2.gz VHZXZKUKHRETKR-UHFFFAOYSA-N -1 1 353.281 2.157 20 5 FEBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119140606 326130912 /nfs/dbraw/zinc/13/09/12/326130912.db2.gz RNTKOEQZBJINSX-GFCCVEGCSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000119533410 326172249 /nfs/dbraw/zinc/17/22/49/326172249.db2.gz JFRSJVAQVLGCCM-UHFFFAOYSA-N -1 1 362.713 2.105 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000120808047 326289729 /nfs/dbraw/zinc/28/97/29/326289729.db2.gz MOKYYPOCAOJKOL-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@H]1O ZINC000178710822 327601959 /nfs/dbraw/zinc/60/19/59/327601959.db2.gz BWKSXPFPBNDETB-TZMCWYRMSA-N -1 1 368.798 2.185 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000268164710 329392260 /nfs/dbraw/zinc/39/22/60/329392260.db2.gz HZESEOUCEWHHNY-QMMMGPOBSA-N -1 1 368.889 2.375 20 5 FEBDMM COc1cc(F)c([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000275082906 330008572 /nfs/dbraw/zinc/00/85/72/330008572.db2.gz FCGXABNMPLJAOF-MRVPVSSYSA-N -1 1 365.317 2.343 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000479263076 561186084 /nfs/dbraw/zinc/18/60/84/561186084.db2.gz XUKHYQCZHYFNFQ-UHFFFAOYSA-N -1 1 366.351 2.441 20 5 FEBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000480895129 561219640 /nfs/dbraw/zinc/21/96/40/561219640.db2.gz GGBOSKREZKVSSE-UHFFFAOYSA-N -1 1 368.367 2.151 20 5 FEBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000484730940 561304652 /nfs/dbraw/zinc/30/46/52/561304652.db2.gz CIUROHTZYAOBLR-UHFFFAOYSA-N -1 1 366.333 2.217 20 5 FEBDMM O=C(NCc1ncc(-c2ccccc2)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184375970 547815526 /nfs/dbraw/zinc/81/55/26/547815526.db2.gz ZJBMBNNDQDKWRF-UHFFFAOYSA-N -1 1 351.322 2.082 20 5 FEBDMM C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644497 548964639 /nfs/dbraw/zinc/96/46/39/548964639.db2.gz LFKUIUVBCGSMED-RHSMWYFYSA-N -1 1 361.423 2.319 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000277826690 550718578 /nfs/dbraw/zinc/71/85/78/550718578.db2.gz QWKXSRYSMFZGDT-MRXNPFEDSA-N -1 1 357.366 2.281 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281053463 551058534 /nfs/dbraw/zinc/05/85/34/551058534.db2.gz XTOXVQKNQYKEJB-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281145418 551067850 /nfs/dbraw/zinc/06/78/50/551067850.db2.gz KFCHLNMATBCVQW-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM Cc1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000281632639 551123221 /nfs/dbraw/zinc/12/32/21/551123221.db2.gz GTSSTLMOHBUYLM-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000282600085 551250687 /nfs/dbraw/zinc/25/06/87/551250687.db2.gz IMDBSXFIXGNNNX-SNVBAGLBSA-N -1 1 370.362 2.001 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288633645 552188791 /nfs/dbraw/zinc/18/87/91/552188791.db2.gz OFMZOCZTVISXJW-NSHDSACASA-N -1 1 354.306 2.223 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000290752077 552531556 /nfs/dbraw/zinc/53/15/56/552531556.db2.gz MTQHQXVOBKBNPA-YUMQZZPRSA-N -1 1 352.771 2.091 20 5 FEBDMM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290893982 552557404 /nfs/dbraw/zinc/55/74/04/552557404.db2.gz ZYJMJUJFHRVSCV-UHFFFAOYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c1Cl ZINC000296328408 553141729 /nfs/dbraw/zinc/14/17/29/553141729.db2.gz QOAMTRLLRLEBIH-JGVFFNPUSA-N -1 1 369.226 2.341 20 5 FEBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000508093492 561751283 /nfs/dbraw/zinc/75/12/83/561751283.db2.gz HNLMYZAPACBEQU-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000509993316 561820978 /nfs/dbraw/zinc/82/09/78/561820978.db2.gz TZJNIAMOFBOVMF-UHFFFAOYSA-N -1 1 350.356 2.469 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])n1 ZINC000510667006 561842581 /nfs/dbraw/zinc/84/25/81/561842581.db2.gz VGBLUZBFSFMMON-UHFFFAOYSA-N -1 1 363.399 2.079 20 5 FEBDMM COc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000350735371 554810107 /nfs/dbraw/zinc/81/01/07/554810107.db2.gz GNLZCORSUIEGTJ-UHFFFAOYSA-N -1 1 373.325 2.171 20 5 FEBDMM COCCOc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000511735377 561879271 /nfs/dbraw/zinc/87/92/71/561879271.db2.gz CGVTZDAHDQSLHB-UHFFFAOYSA-N -1 1 368.367 2.126 20 5 FEBDMM COc1ccccc1NC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000370353345 556848207 /nfs/dbraw/zinc/84/82/07/556848207.db2.gz MDBGMUISQPEALG-UHFFFAOYSA-N -1 1 372.381 2.421 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000372895650 557583958 /nfs/dbraw/zinc/58/39/58/557583958.db2.gz OXCCPRIZIDJJNL-UHFFFAOYSA-N -1 1 360.355 2.406 20 5 FEBDMM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCN2)cc1 ZINC000374320043 557865078 /nfs/dbraw/zinc/86/50/78/557865078.db2.gz FBTYKMYSQQGWGY-HNNXBMFYSA-N -1 1 356.382 2.045 20 5 FEBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000375161278 557985459 /nfs/dbraw/zinc/98/54/59/557985459.db2.gz SEFKKFJAANNMQX-UONOGXRCSA-N -1 1 358.402 2.083 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nccn1-c1ccccc1 ZINC000377115396 558269211 /nfs/dbraw/zinc/26/92/11/558269211.db2.gz DITAOHVDGUFSHS-LLVKDONJSA-N -1 1 353.338 2.372 20 5 FEBDMM O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392238266 558616796 /nfs/dbraw/zinc/61/67/96/558616796.db2.gz XYAZIZJYYBOTFS-KOLCDFICSA-N -1 1 360.363 2.046 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000416420710 559311832 /nfs/dbraw/zinc/31/18/32/559311832.db2.gz XGIKVEADZJIDJU-GFCCVEGCSA-N -1 1 354.384 2.471 20 5 FEBDMM CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000423751470 559638323 /nfs/dbraw/zinc/63/83/23/559638323.db2.gz YSXUSRYOWGSAMH-IAQYHMDHSA-N -1 1 357.794 2.425 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CC[C@H]1O ZINC000425270986 559694266 /nfs/dbraw/zinc/69/42/66/559694266.db2.gz BOYNZLSZMMNEDD-GDBMZVCRSA-N -1 1 363.395 2.331 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000432660354 559862588 /nfs/dbraw/zinc/86/25/88/559862588.db2.gz SWKIZQVNENEONF-UHFFFAOYSA-N -1 1 370.774 2.489 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1[N+](=O)[O-] ZINC000436750704 559950967 /nfs/dbraw/zinc/95/09/67/559950967.db2.gz XRVFYWMPXROIEF-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000438749017 559983074 /nfs/dbraw/zinc/98/30/74/559983074.db2.gz AQPATRRVTZRDQC-UHFFFAOYSA-N -1 1 352.368 2.205 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])no1 ZINC000443134823 560072298 /nfs/dbraw/zinc/07/22/98/560072298.db2.gz BNQAEAIGOGGJNN-UHFFFAOYSA-N -1 1 354.388 2.062 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])n1 ZINC000451646612 560319039 /nfs/dbraw/zinc/31/90/39/560319039.db2.gz JPEOLYJWWYURQF-SNVBAGLBSA-N -1 1 356.379 2.298 20 5 FEBDMM COc1cc(OC)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000531780815 562456481 /nfs/dbraw/zinc/45/64/81/562456481.db2.gz QNQRIMIXMHQNAG-UHFFFAOYSA-N -1 1 372.330 2.258 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000532395421 562476374 /nfs/dbraw/zinc/47/63/74/562476374.db2.gz JZSZQYFTNQKXJG-SNVBAGLBSA-N -1 1 355.759 2.055 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])n1 ZINC000533407476 562507564 /nfs/dbraw/zinc/50/75/64/562507564.db2.gz PHQREHLIJKXVJJ-GFCCVEGCSA-N -1 1 370.818 2.430 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCSc2ccccc2)c([N+](=O)[O-])n1 ZINC000533634905 562515005 /nfs/dbraw/zinc/51/50/05/562515005.db2.gz XIIYBQIMXGCGFH-UHFFFAOYSA-N -1 1 370.456 2.272 20 5 FEBDMM COc1ccc(OCCSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737111411 598500598 /nfs/dbraw/zinc/50/05/98/598500598.db2.gz MFWDCSYVQMYMTG-UHFFFAOYSA-N -1 1 374.382 2.350 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808340929 674454257 /nfs/dbraw/zinc/45/42/57/674454257.db2.gz AYKDNJKCNMUWJG-BMIGLBTASA-N -1 1 354.359 2.134 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC000737268135 600514782 /nfs/dbraw/zinc/51/47/82/600514782.db2.gz SCNADJDNHDOKNY-UHFFFAOYSA-N -1 1 351.340 2.051 20 5 FEBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000827368338 601124125 /nfs/dbraw/zinc/12/41/25/601124125.db2.gz BPUZZSUBTWOUQN-JTQLQIEISA-N -1 1 370.793 2.261 20 5 FEBDMM Cc1cc(NC[C@H](C(C)C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967832 601544588 /nfs/dbraw/zinc/54/45/88/601544588.db2.gz HZHBVYZKTDGZKO-OAHLLOKOSA-N -1 1 351.403 2.370 20 5 FEBDMM Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833053530 601785271 /nfs/dbraw/zinc/78/52/71/601785271.db2.gz WZHQPFOEGNXDEC-UHFFFAOYSA-N -1 1 359.747 2.086 20 5 FEBDMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821397 674512961 /nfs/dbraw/zinc/51/29/61/674512961.db2.gz RPCVLHODUXHOKW-SNVBAGLBSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c(Cl)cc1Cl ZINC000809828572 674513872 /nfs/dbraw/zinc/51/38/72/674513872.db2.gz NEEUQJNWWOAZIP-ZKCHVHJHSA-N -1 1 369.226 2.483 20 5 FEBDMM CNc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000833699932 605059396 /nfs/dbraw/zinc/05/93/96/605059396.db2.gz COGUXDMEAIPXCR-UHFFFAOYSA-N -1 1 355.310 2.463 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833733452 605167944 /nfs/dbraw/zinc/16/79/44/605167944.db2.gz PTUACULKYOTMTK-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM O=C([O-])Nc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000834260860 605606818 /nfs/dbraw/zinc/60/68/18/605606818.db2.gz ZYOXSDKUPVPIPK-LBPRGKRZSA-N -1 1 358.358 2.161 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823621213 606720766 /nfs/dbraw/zinc/72/07/66/606720766.db2.gz ZKVOJCZMSBOWDL-LLVKDONJSA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823621213 606720768 /nfs/dbraw/zinc/72/07/68/606720768.db2.gz ZKVOJCZMSBOWDL-LLVKDONJSA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(-c2nnco2)c1 ZINC000823629821 607168246 /nfs/dbraw/zinc/16/82/46/607168246.db2.gz IPQAVLKQMNOJHI-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(-c2nnco2)c1 ZINC000823629821 607168247 /nfs/dbraw/zinc/16/82/47/607168247.db2.gz IPQAVLKQMNOJHI-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000824670622 607850113 /nfs/dbraw/zinc/85/01/13/607850113.db2.gz SOVCUJMDYZRPRI-CABZTGNLSA-N -1 1 353.342 2.147 20 5 FEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000824670622 607850114 /nfs/dbraw/zinc/85/01/14/607850114.db2.gz SOVCUJMDYZRPRI-CABZTGNLSA-N -1 1 353.342 2.147 20 5 FEBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cscn1 ZINC000826450753 607878248 /nfs/dbraw/zinc/87/82/48/607878248.db2.gz CHDVNRPZYUVIPZ-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM CCOC(=O)c1c(C)onc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000811153674 674583208 /nfs/dbraw/zinc/58/32/08/674583208.db2.gz QVXYMEAJNDWGDM-UHFFFAOYSA-N -1 1 350.283 2.131 20 5 FEBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016820 674897300 /nfs/dbraw/zinc/89/73/00/674897300.db2.gz AAXHSZCPOZLSLS-LBPRGKRZSA-N -1 1 354.787 2.217 20 5 FEBDMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019825 674898644 /nfs/dbraw/zinc/89/86/44/674898644.db2.gz OLZFJOVVHCOEIP-HTQZYQBOSA-N -1 1 354.787 2.073 20 5 FEBDMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044357 674906396 /nfs/dbraw/zinc/90/63/96/674906396.db2.gz BYQZONOMYWTDJG-RKDXNWHRSA-N -1 1 366.798 2.338 20 5 FEBDMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000032096902 670126579 /nfs/dbraw/zinc/12/65/79/670126579.db2.gz RYLGPSMBKTWLBN-UHFFFAOYSA-N -1 1 369.786 2.077 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000572672297 671029844 /nfs/dbraw/zinc/02/98/44/671029844.db2.gz LPKWYRKRBLOPRV-RNCFNFMXSA-N -1 1 369.424 2.032 20 5 FEBDMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120080543 671916236 /nfs/dbraw/zinc/91/62/36/671916236.db2.gz ZZSUOXOOTTUNHS-UHFFFAOYSA-N -1 1 369.302 2.164 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1O ZINC000126378886 672023656 /nfs/dbraw/zinc/02/36/56/672023656.db2.gz HKDIJTYBVPKCRK-UKRRQHHQSA-N -1 1 368.798 2.185 20 5 FEBDMM COC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135114714 672129915 /nfs/dbraw/zinc/12/99/15/672129915.db2.gz COQIMQHAIXXFHT-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000159048178 672276408 /nfs/dbraw/zinc/27/64/08/672276408.db2.gz MSLNLKYHRSSSDN-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000159551796 672282932 /nfs/dbraw/zinc/28/29/32/672282932.db2.gz OKKRNUZHHMGBIK-CYBMUJFWSA-N -1 1 362.835 2.468 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000611104655 676017310 /nfs/dbraw/zinc/01/73/10/676017310.db2.gz BVOMCPBVTJOIHP-UHFFFAOYSA-N -1 1 352.416 2.112 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])n1 ZINC000611105413 676017572 /nfs/dbraw/zinc/01/75/72/676017572.db2.gz KUKVBPNCPISSET-CYBMUJFWSA-N -1 1 350.400 2.085 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000611083194 676015744 /nfs/dbraw/zinc/01/57/44/676015744.db2.gz XITKLWHSQXQLDO-UHFFFAOYSA-N -1 1 371.802 2.138 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589922475 672547910 /nfs/dbraw/zinc/54/79/10/672547910.db2.gz HFKVWBKAZHLJJK-XCBNKYQSSA-N -1 1 374.362 2.089 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(F)cc1[N+](=O)[O-] ZINC000590590245 672593505 /nfs/dbraw/zinc/59/35/05/672593505.db2.gz AYWSCRGBVITOTR-UHFFFAOYSA-N -1 1 364.305 2.112 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3cccc(C)c3)CCC2)c([N+](=O)[O-])n1 ZINC000592074994 672748609 /nfs/dbraw/zinc/74/86/09/672748609.db2.gz VINDBPWQGJNKLZ-UHFFFAOYSA-N -1 1 364.427 2.477 20 5 FEBDMM CN(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194337627 672756534 /nfs/dbraw/zinc/75/65/34/672756534.db2.gz KLCZVWFBNOMFBZ-UHFFFAOYSA-N -1 1 353.375 2.149 20 5 FEBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594392991 673067151 /nfs/dbraw/zinc/06/71/51/673067151.db2.gz JUBCRWKHMOGEGT-NSHDSACASA-N -1 1 353.375 2.039 20 5 FEBDMM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])ccn1 ZINC000594773942 673137802 /nfs/dbraw/zinc/13/78/02/673137802.db2.gz WHUPQQMOGAEVIP-NSHDSACASA-N -1 1 366.399 2.041 20 5 FEBDMM COc1ccnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1F ZINC000594854529 673164822 /nfs/dbraw/zinc/16/48/22/673164822.db2.gz PLQNBUNIWPOWTI-UHFFFAOYSA-N -1 1 369.374 2.233 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000733774991 673437375 /nfs/dbraw/zinc/43/73/75/673437375.db2.gz VXSHIGJIAMCOTM-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM CN(CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000597609667 673492560 /nfs/dbraw/zinc/49/25/60/673492560.db2.gz JJQGQOUJSMLVIE-UHFFFAOYSA-N -1 1 352.778 2.253 20 5 FEBDMM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599298698 673655475 /nfs/dbraw/zinc/65/54/75/673655475.db2.gz XLQMIVOVEFOSBT-VIFPVBQESA-N -1 1 356.429 2.090 20 5 FEBDMM CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000544843856 673736134 /nfs/dbraw/zinc/73/61/34/673736134.db2.gz XQLVFAKUUSMDIS-JTQLQIEISA-N -1 1 364.807 2.258 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000547310031 673841669 /nfs/dbraw/zinc/84/16/69/673841669.db2.gz FERCSFPJPQXJGB-UHFFFAOYSA-N -1 1 350.400 2.036 20 5 FEBDMM CO[C@H](CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000601400492 673855999 /nfs/dbraw/zinc/85/59/99/673855999.db2.gz SJSQYGZUEATUJC-MRVPVSSYSA-N -1 1 362.351 2.210 20 5 FEBDMM CCN(CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000566828977 675245599 /nfs/dbraw/zinc/24/55/99/675245599.db2.gz VSBZCJNRIUUZBM-UHFFFAOYSA-N -1 1 364.427 2.185 20 5 FEBDMM CC[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000829546763 675882755 /nfs/dbraw/zinc/88/27/55/675882755.db2.gz IDTQVQILCJSSDG-ZETCQYMHSA-N -1 1 350.253 2.458 20 5 FEBDMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831878163 680056269 /nfs/dbraw/zinc/05/62/69/680056269.db2.gz YOQDZONZJHKMGE-NSHDSACASA-N -1 1 352.771 2.233 20 5 FEBDMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000832180881 680106948 /nfs/dbraw/zinc/10/69/48/680106948.db2.gz WEJVHOIGHFGWFW-DGCLKSJQSA-N -1 1 360.407 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)cc1Cl ZINC000832318033 680123240 /nfs/dbraw/zinc/12/32/40/680123240.db2.gz SMXFRVVRJSIIFM-LBPRGKRZSA-N -1 1 364.782 2.235 20 5 FEBDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000832525490 680144111 /nfs/dbraw/zinc/14/41/11/680144111.db2.gz ZAJCYDSZXQCHGW-UHLUBPPHSA-N -1 1 366.798 2.479 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CO)c(Cl)cc1Cl ZINC000832605746 680154961 /nfs/dbraw/zinc/15/49/61/680154961.db2.gz MWHMXLUZFZCDAC-XVKPBYJWSA-N -1 1 369.226 2.341 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)co1 ZINC000756533144 680483436 /nfs/dbraw/zinc/48/34/36/680483436.db2.gz QPZJPJITCKRCER-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768809897 680959180 /nfs/dbraw/zinc/95/91/80/680959180.db2.gz BXOHESYPOSEKDR-UHFFFAOYSA-N -1 1 370.408 2.312 20 5 FEBDMM Cn1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768892485 680963966 /nfs/dbraw/zinc/96/39/66/680963966.db2.gz QQQUMUDVYCMTKH-UHFFFAOYSA-N -1 1 352.397 2.022 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845980815 681168939 /nfs/dbraw/zinc/16/89/39/681168939.db2.gz QVGLZNZEACHLAX-BZNIZROVSA-N -1 1 368.386 2.308 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)C2CCC2)c1Cl ZINC000849419575 681726098 /nfs/dbraw/zinc/72/60/98/681726098.db2.gz PCKMJAUYBBJYIT-SECBINFHSA-N -1 1 369.226 2.341 20 5 FEBDMM CCN(C(C)=O)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780073119 681789966 /nfs/dbraw/zinc/78/99/66/681789966.db2.gz YTDSQFQAPMGQRC-UHFFFAOYSA-N -1 1 365.367 2.487 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1c(F)cccc1F ZINC000780077247 681790781 /nfs/dbraw/zinc/79/07/81/681790781.db2.gz WBEIPKDFGAGQPQ-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1SCCS1 ZINC000851835521 682155366 /nfs/dbraw/zinc/15/53/66/682155366.db2.gz YTBJGGBUWPOMNV-UHFFFAOYSA-N -1 1 372.852 2.472 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCCF)c(Cl)cc1Cl ZINC000851893093 682179700 /nfs/dbraw/zinc/17/97/00/682179700.db2.gz QAHFUGSXEXKVEC-UHFFFAOYSA-N -1 1 361.178 2.166 20 5 FEBDMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795975852 683114446 /nfs/dbraw/zinc/11/44/46/683114446.db2.gz PABDUACIOZODLN-SVGQVSJJSA-N -1 1 353.169 2.183 20 5 FEBDMM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000798473874 683355047 /nfs/dbraw/zinc/35/50/47/683355047.db2.gz RLNXDODCNQLPKC-UHFFFAOYSA-N -1 1 365.411 2.264 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000921319996 683421595 /nfs/dbraw/zinc/42/15/95/683421595.db2.gz ZJYQCSYCNBXQHO-BBRMVZONSA-N -1 1 366.370 2.486 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000921577583 683507947 /nfs/dbraw/zinc/50/79/47/683507947.db2.gz LRNJIRHMUOXUDQ-HTQZYQBOSA-N -1 1 374.362 2.435 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000877776873 686455021 /nfs/dbraw/zinc/45/50/21/686455021.db2.gz FCBFVKVQYKBCGK-UHFFFAOYSA-N -1 1 361.320 2.104 20 5 FEBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000029337763 539850878 /nfs/dbraw/zinc/85/08/78/539850878.db2.gz OWMXYYZZQCLUDY-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM C[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000091013459 542790319 /nfs/dbraw/zinc/79/03/19/542790319.db2.gz DQPHGBVTUJLACN-NSHDSACASA-N -1 1 351.384 2.188 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184617819 327875582 /nfs/dbraw/zinc/87/55/82/327875582.db2.gz LBRUCGKIKHFQSQ-ZDUSSCGKSA-N -1 1 354.384 2.303 20 5 FEBDMM Cn1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000186182434 327950351 /nfs/dbraw/zinc/95/03/51/327950351.db2.gz RDIHLABGGILESF-UHFFFAOYSA-N -1 1 366.424 2.064 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccncc1)Cc1cccnc1 ZINC000188417216 328085536 /nfs/dbraw/zinc/08/55/36/328085536.db2.gz URZUIGSMTXAGDZ-UHFFFAOYSA-N -1 1 365.349 2.328 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000193680497 328389327 /nfs/dbraw/zinc/38/93/27/328389327.db2.gz WERGXRJNVXLHNP-JTQLQIEISA-N -1 1 369.337 2.160 20 5 FEBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000193805228 328396468 /nfs/dbraw/zinc/39/64/68/328396468.db2.gz ZTRIGVJQLAIHBY-GFCCVEGCSA-N -1 1 353.281 2.091 20 5 FEBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000173525626 327263826 /nfs/dbraw/zinc/26/38/26/327263826.db2.gz KVOPWCOXMZPINE-ZUZCIYMTSA-N -1 1 361.329 2.437 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000268905065 329466889 /nfs/dbraw/zinc/46/68/89/329466889.db2.gz XLKQVDDFUHVGPL-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM O=C(NCc1ccsc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000555324064 674356751 /nfs/dbraw/zinc/35/67/51/674356751.db2.gz FAERMBDMGISKBC-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM C[C@@](CO)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000480851000 561218255 /nfs/dbraw/zinc/21/82/55/561218255.db2.gz ZOGIJWUJVJYWCY-HNNXBMFYSA-N -1 1 370.452 2.176 20 5 FEBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000179624786 546987934 /nfs/dbraw/zinc/98/79/34/546987934.db2.gz CYJONCPIERZVOQ-UHFFFAOYSA-N -1 1 370.362 2.083 20 5 FEBDMM CCOc1cc2c(cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000484097079 561291424 /nfs/dbraw/zinc/29/14/24/561291424.db2.gz QKEAOPQYOQJPKK-SNVBAGLBSA-N -1 1 373.365 2.348 20 5 FEBDMM O=C(NCCCCOCCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194121325 548437710 /nfs/dbraw/zinc/43/77/10/548437710.db2.gz NCWAODBJBIFBPZ-UHFFFAOYSA-N -1 1 359.382 2.465 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])n1 ZINC000489973120 561423814 /nfs/dbraw/zinc/42/38/14/561423814.db2.gz ROZUHDQWNBVCCG-JTQLQIEISA-N -1 1 366.390 2.305 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)c([N+](=O)[O-])n1 ZINC000494346498 561467752 /nfs/dbraw/zinc/46/77/52/561467752.db2.gz IQGDTXMLHOYFRU-QMMMGPOBSA-N -1 1 358.342 2.211 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([C@H]2CCCOC2)n[nH]1 ZINC000280222412 550972872 /nfs/dbraw/zinc/97/28/72/550972872.db2.gz GMULSOCYVNSYJI-NSHDSACASA-N -1 1 366.399 2.321 20 5 FEBDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000281627961 551122622 /nfs/dbraw/zinc/12/26/22/551122622.db2.gz GIRRZFYZUIQZFF-CQSZACIVSA-N -1 1 358.354 2.093 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1C ZINC000285036182 551694218 /nfs/dbraw/zinc/69/42/18/551694218.db2.gz IQVWWIKWOAALBR-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM Cc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000290322945 552460266 /nfs/dbraw/zinc/46/02/66/552460266.db2.gz IPDAULOMZMDRFV-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290776690 552536247 /nfs/dbraw/zinc/53/62/47/552536247.db2.gz OZCBABKLMAEPLA-YUMQZZPRSA-N -1 1 352.771 2.233 20 5 FEBDMM CSc1cc2c(cc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C)OCCO2 ZINC000501135894 561591169 /nfs/dbraw/zinc/59/11/69/561591169.db2.gz RDBKHFJGRAXZFS-UHFFFAOYSA-N -1 1 350.356 2.074 20 5 FEBDMM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295722125 553049949 /nfs/dbraw/zinc/04/99/49/553049949.db2.gz LTEYQDUWMWFYMJ-QMMMGPOBSA-N -1 1 354.787 2.217 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2c3cc(C)ccc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000503825322 561648669 /nfs/dbraw/zinc/64/86/69/561648669.db2.gz JUUXGHDOKGTLOY-XHDPSFHLSA-N -1 1 364.427 2.331 20 5 FEBDMM CC(C)C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000326540318 553781714 /nfs/dbraw/zinc/78/17/14/553781714.db2.gz KFZREEXNISOFBB-JTQLQIEISA-N -1 1 362.379 2.149 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)no1 ZINC000508105056 561752001 /nfs/dbraw/zinc/75/20/01/561752001.db2.gz SONJCDDTGCWBEN-UHFFFAOYSA-N -1 1 374.806 2.462 20 5 FEBDMM CCOC(=O)C1CCC(N(CC)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000514035798 561958277 /nfs/dbraw/zinc/95/82/77/561958277.db2.gz FGMKBLKIOCNYAS-UHFFFAOYSA-N -1 1 365.386 2.279 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)ccc1[N+](=O)[O-] ZINC000516206793 562035761 /nfs/dbraw/zinc/03/57/61/562035761.db2.gz SMFNZMZIQGDIFV-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000373348984 557677458 /nfs/dbraw/zinc/67/74/58/557677458.db2.gz QRIJFYYPVQDLKT-CABCVRRESA-N -1 1 358.391 2.217 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000520307523 562153137 /nfs/dbraw/zinc/15/31/37/562153137.db2.gz HZLHXPSPNKYLQR-QFIPXVFZSA-N -1 1 354.409 2.441 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000375116015 557980028 /nfs/dbraw/zinc/98/00/28/557980028.db2.gz WQZUNWZIOOAKBD-UHFFFAOYSA-N -1 1 370.818 2.260 20 5 FEBDMM O=C(c1c(F)ccc([O-])c1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000377839459 558432465 /nfs/dbraw/zinc/43/24/65/558432465.db2.gz JFAVUOQLTVLLSL-UHFFFAOYSA-N -1 1 352.297 2.252 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000410422347 558756641 /nfs/dbraw/zinc/75/66/41/558756641.db2.gz YBHOWYJDFDSWEZ-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416437359 559312832 /nfs/dbraw/zinc/31/28/32/559312832.db2.gz GYNCUQXLCOQYBU-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM CSc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000425326313 559696847 /nfs/dbraw/zinc/69/68/47/559696847.db2.gz UPZUWCHXWUZIDD-UHFFFAOYSA-N -1 1 364.383 2.425 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)s1 ZINC000443939009 560096642 /nfs/dbraw/zinc/09/66/42/560096642.db2.gz XHLBCPIGSACWPT-UHFFFAOYSA-N -1 1 353.425 2.409 20 5 FEBDMM Cn1ccnc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000444828966 560122085 /nfs/dbraw/zinc/12/20/85/560122085.db2.gz PMWJWBIPGPOARB-CQSZACIVSA-N -1 1 371.328 2.087 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])n1 ZINC000451645687 560319051 /nfs/dbraw/zinc/31/90/51/560319051.db2.gz FNIQDIGJYBYWAK-SNVBAGLBSA-N -1 1 356.379 2.298 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000530825660 562425314 /nfs/dbraw/zinc/42/53/14/562425314.db2.gz IGVKSWKIDHKJCO-UHFFFAOYSA-N -1 1 364.408 2.121 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000531143810 562436294 /nfs/dbraw/zinc/43/62/94/562436294.db2.gz STXWOSYPPNLIAZ-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000531786690 562456666 /nfs/dbraw/zinc/45/66/66/562456666.db2.gz LNBGIMMEFBTYEB-HNNXBMFYSA-N -1 1 370.427 2.136 20 5 FEBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000532854524 562490495 /nfs/dbraw/zinc/49/04/95/562490495.db2.gz HPFDOPDHFHVGHN-UHFFFAOYSA-N -1 1 368.415 2.079 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000532855201 562490652 /nfs/dbraw/zinc/49/06/52/562490652.db2.gz WNTWLTGRYFGNAX-LBPRGKRZSA-N -1 1 352.416 2.202 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])n1 ZINC000533175192 562500409 /nfs/dbraw/zinc/50/04/09/562500409.db2.gz JMTAOYASJXVCNM-ZDUSSCGKSA-N -1 1 366.443 2.338 20 5 FEBDMM O=[N+]([O-])c1ccc(NC2CCN(c3ccccn3)CC2)cc1-c1nn[n-]n1 ZINC000826498622 607452574 /nfs/dbraw/zinc/45/25/74/607452574.db2.gz CXFPIWJBHSAUBV-UHFFFAOYSA-N -1 1 366.385 2.251 20 5 FEBDMM COc1cc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000831995054 601528697 /nfs/dbraw/zinc/52/86/97/601528697.db2.gz DHNGZYISZXOSJH-PSASIEDQSA-N -1 1 360.313 2.357 20 5 FEBDMM CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359170 602546955 /nfs/dbraw/zinc/54/69/55/602546955.db2.gz IYKYVGRIXAJBSL-CQSZACIVSA-N -1 1 365.386 2.426 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCO1 ZINC000809825548 674513449 /nfs/dbraw/zinc/51/34/49/674513449.db2.gz QMJDMOLQBAHRJZ-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810557 674511526 /nfs/dbraw/zinc/51/15/26/674511526.db2.gz CWZQOBWFZXLEQJ-LURJTMIESA-N -1 1 371.198 2.132 20 5 FEBDMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837108 674514943 /nfs/dbraw/zinc/51/49/43/674514943.db2.gz SWHOKPCCCYVXOX-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740632569 602993632 /nfs/dbraw/zinc/99/36/32/602993632.db2.gz MVVNRXQVIHYRDJ-CABZTGNLSA-N -1 1 361.358 2.027 20 5 FEBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809844788 674516073 /nfs/dbraw/zinc/51/60/73/674516073.db2.gz WFKFGZPCWZWJGY-MUWHJKNJSA-N -1 1 354.812 2.417 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826466956 607606389 /nfs/dbraw/zinc/60/63/89/607606389.db2.gz AXJWMUBSNJJPBA-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826466956 607606390 /nfs/dbraw/zinc/60/63/90/607606390.db2.gz AXJWMUBSNJJPBA-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCS[C@@H](c2ccccc2)C1 ZINC000826497686 607728642 /nfs/dbraw/zinc/72/86/42/607728642.db2.gz QBVJAUXYMCBJPH-CYBMUJFWSA-N -1 1 369.410 2.464 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCS[C@@H](c2ccccc2)C1 ZINC000826497686 607728644 /nfs/dbraw/zinc/72/86/44/607728644.db2.gz QBVJAUXYMCBJPH-CYBMUJFWSA-N -1 1 369.410 2.464 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCS[C@H](c2ccccc2)C1 ZINC000826497687 607728854 /nfs/dbraw/zinc/72/88/54/607728854.db2.gz QBVJAUXYMCBJPH-ZDUSSCGKSA-N -1 1 369.410 2.464 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCS[C@H](c2ccccc2)C1 ZINC000826497687 607728856 /nfs/dbraw/zinc/72/88/56/607728856.db2.gz QBVJAUXYMCBJPH-ZDUSSCGKSA-N -1 1 369.410 2.464 20 5 FEBDMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000834288156 605780457 /nfs/dbraw/zinc/78/04/57/605780457.db2.gz UNKWXFIIJIRJSY-NHYWBVRUSA-N -1 1 363.370 2.295 20 5 FEBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000810105148 674532071 /nfs/dbraw/zinc/53/20/71/674532071.db2.gz CIDXNPRRGAQSDI-CYBMUJFWSA-N -1 1 362.835 2.324 20 5 FEBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813587 606508247 /nfs/dbraw/zinc/50/82/47/606508247.db2.gz KETDPFDDCYGIJM-MRVPVSSYSA-N -1 1 356.367 2.428 20 5 FEBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813587 606508249 /nfs/dbraw/zinc/50/82/49/606508249.db2.gz KETDPFDDCYGIJM-MRVPVSSYSA-N -1 1 356.367 2.428 20 5 FEBDMM COc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1OC ZINC000821821598 606644413 /nfs/dbraw/zinc/64/44/13/606644413.db2.gz MOCAASJRYFJSAQ-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM O=C(CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000822968829 606646048 /nfs/dbraw/zinc/64/60/48/606646048.db2.gz BBPRZCUAYAHNSD-UHFFFAOYSA-N -1 1 359.390 2.026 20 5 FEBDMM Cc1cc(C)cc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822197492 606701553 /nfs/dbraw/zinc/70/15/53/606701553.db2.gz CMPWIMXMXMSAQC-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM Cc1cc(C)cc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822197492 606701554 /nfs/dbraw/zinc/70/15/54/606701554.db2.gz CMPWIMXMXMSAQC-UHFFFAOYSA-N -1 1 355.358 2.278 20 5 FEBDMM CCOc1ccccc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821431567 606706743 /nfs/dbraw/zinc/70/67/43/606706743.db2.gz VWQCVDLLSUUQPY-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM CCOc1ccccc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821431567 606706744 /nfs/dbraw/zinc/70/67/44/606706744.db2.gz VWQCVDLLSUUQPY-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM COc1ccc2c(c1)CCCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000821850144 606707086 /nfs/dbraw/zinc/70/70/86/606707086.db2.gz XFCYRFSOICQZNW-UHFFFAOYSA-N -1 1 367.369 2.131 20 5 FEBDMM COc1ccc2c(c1)CCCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000821850144 606707087 /nfs/dbraw/zinc/70/70/87/606707087.db2.gz XFCYRFSOICQZNW-UHFFFAOYSA-N -1 1 367.369 2.131 20 5 FEBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823379712 607110013 /nfs/dbraw/zinc/11/00/13/607110013.db2.gz FSSTULSBLPXXBG-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823379712 607110014 /nfs/dbraw/zinc/11/00/14/607110014.db2.gz FSSTULSBLPXXBG-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000561562860 674680420 /nfs/dbraw/zinc/68/04/20/674680420.db2.gz MNBIUBXCQQLSSE-GFCCVEGCSA-N -1 1 371.802 2.045 20 5 FEBDMM Cn1cc(Br)c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000814460976 674850387 /nfs/dbraw/zinc/85/03/87/674850387.db2.gz VVZMFGDNOHTANG-UHFFFAOYSA-N -1 1 356.132 2.153 20 5 FEBDMM CCOC(=O)c1csc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000814460665 674850398 /nfs/dbraw/zinc/85/03/98/674850398.db2.gz MUUXHSXGOLCTPF-UHFFFAOYSA-N -1 1 352.324 2.291 20 5 FEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2ccsc2)N(C)C)n1 ZINC000563206764 674858369 /nfs/dbraw/zinc/85/83/69/674858369.db2.gz NLSFBFIOBNOSOO-GFCCVEGCSA-N -1 1 350.400 2.773 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1CCOCC1 ZINC000815008722 674895213 /nfs/dbraw/zinc/89/52/13/674895213.db2.gz LXBOUYDHGMREKX-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017021 674897047 /nfs/dbraw/zinc/89/70/47/674897047.db2.gz CZJNDFBGZFVDOW-WRWORJQWSA-N -1 1 354.787 2.073 20 5 FEBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024885 674900721 /nfs/dbraw/zinc/90/07/21/674900721.db2.gz BQRVUBUXIVQKGD-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000815037492 674905054 /nfs/dbraw/zinc/90/50/54/674905054.db2.gz MHPDHGMVEIRIAJ-GZMMTYOYSA-N -1 1 366.798 2.217 20 5 FEBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000579675343 671751976 /nfs/dbraw/zinc/75/19/76/671751976.db2.gz AKYPZAQTIYTAMK-CYBMUJFWSA-N -1 1 362.411 2.239 20 5 FEBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119209099 671894550 /nfs/dbraw/zinc/89/45/50/671894550.db2.gz GTBQQQWOCXCPPM-RNCFNFMXSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000610262765 675962146 /nfs/dbraw/zinc/96/21/46/675962146.db2.gz IYJFYBXFTUYQLB-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000129130648 672057693 /nfs/dbraw/zinc/05/76/93/672057693.db2.gz MOYYGVCSFDFTAA-ZETCQYMHSA-N -1 1 369.262 2.387 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000610591707 675983474 /nfs/dbraw/zinc/98/34/74/675983474.db2.gz PPCXBSWHUQTXJG-UHFFFAOYSA-N -1 1 365.264 2.025 20 5 FEBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1[O-] ZINC000588098174 672449233 /nfs/dbraw/zinc/44/92/33/672449233.db2.gz GSTWYROXTCLDHS-UHFFFAOYSA-N -1 1 354.706 2.024 20 5 FEBDMM O=C(Nc1cc(I)ccc1O)c1ccc([N+](=O)[O-])[n-]1 ZINC000611156364 676021764 /nfs/dbraw/zinc/02/17/64/676021764.db2.gz DBVZSXASHMPNLI-UHFFFAOYSA-N -1 1 373.106 2.485 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000192836123 672703986 /nfs/dbraw/zinc/70/39/86/672703986.db2.gz FJGQRYIFLYVUFU-UHFFFAOYSA-N -1 1 362.411 2.304 20 5 FEBDMM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194345559 672757039 /nfs/dbraw/zinc/75/70/39/672757039.db2.gz BDROGGUCHHTDKH-UHFFFAOYSA-N -1 1 367.358 2.171 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CCOCC1 ZINC000592350578 672790287 /nfs/dbraw/zinc/79/02/87/672790287.db2.gz UMFYUIJULBOGAW-MRXNPFEDSA-N -1 1 372.443 2.395 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000313503631 673029861 /nfs/dbraw/zinc/02/98/61/673029861.db2.gz JGZYVVYMMKEDQH-VIFPVBQESA-N -1 1 367.221 2.061 20 5 FEBDMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000728933579 673215867 /nfs/dbraw/zinc/21/58/67/673215867.db2.gz QQPCHTVDUMFHSS-UHFFFAOYSA-N -1 1 365.198 2.114 20 5 FEBDMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000595327239 673225160 /nfs/dbraw/zinc/22/51/60/673225160.db2.gz NGOBSHAHDDEDJW-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538284855 673431400 /nfs/dbraw/zinc/43/14/00/673431400.db2.gz IXCNKQZITXVGNR-QMTHXVAHSA-N -1 1 369.374 2.183 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCn1ccnc1 ZINC000542800055 673606961 /nfs/dbraw/zinc/60/69/61/673606961.db2.gz RXRCCGCDKMWBSQ-UHFFFAOYSA-N -1 1 358.807 2.203 20 5 FEBDMM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599222136 673643230 /nfs/dbraw/zinc/64/32/30/673643230.db2.gz UYCZKPUPCQCBIQ-NSHDSACASA-N -1 1 368.415 2.155 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)COc2ccccc2O1 ZINC000599366510 673664765 /nfs/dbraw/zinc/66/47/65/673664765.db2.gz SWLKWZMGNSXOSO-AWEZNQCLSA-N -1 1 370.408 2.165 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599466266 673679359 /nfs/dbraw/zinc/67/93/59/673679359.db2.gz COVDGDCDNQGOJD-DDTOSNHZSA-N -1 1 365.798 2.260 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000546794629 673819663 /nfs/dbraw/zinc/81/96/63/673819663.db2.gz JQDNRQZXRYRIPZ-UHFFFAOYSA-N -1 1 359.367 2.117 20 5 FEBDMM CCC[C@H](C)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548262225 673944474 /nfs/dbraw/zinc/94/44/74/673944474.db2.gz JAVDVEOKDHWATK-ONGXEEELSA-N -1 1 362.379 2.292 20 5 FEBDMM Nc1nccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1[N+](=O)[O-] ZINC000548387340 673954967 /nfs/dbraw/zinc/95/49/67/673954967.db2.gz BFNLRQKQCMSJND-UHFFFAOYSA-N -1 1 359.733 2.263 20 5 FEBDMM CC(C)(C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548535124 673967393 /nfs/dbraw/zinc/96/73/93/673967393.db2.gz LUOXCLUKXRYGSD-VIFPVBQESA-N -1 1 362.379 2.149 20 5 FEBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828075730 675796497 /nfs/dbraw/zinc/79/64/97/675796497.db2.gz ISVGDZWKIKZSRJ-MWLCHTKSSA-N -1 1 350.824 2.324 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(C)o1 ZINC000619488619 676380563 /nfs/dbraw/zinc/38/05/63/676380563.db2.gz PASAJUFJJGPZSY-NSHDSACASA-N -1 1 370.383 2.171 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)s1 ZINC000762521172 680752226 /nfs/dbraw/zinc/75/22/26/680752226.db2.gz CFEROMCVOQEEPC-XLDPMVHQSA-N -1 1 366.511 2.314 20 5 FEBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC ZINC000831764488 680040310 /nfs/dbraw/zinc/04/03/10/680040310.db2.gz VSYQOMVJAYIDIG-MRVPVSSYSA-N -1 1 354.787 2.481 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000831814023 680047544 /nfs/dbraw/zinc/04/75/44/680047544.db2.gz BLTQGVKCONUJQJ-ZDUSSCGKSA-N -1 1 368.386 2.270 20 5 FEBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831839397 680050577 /nfs/dbraw/zinc/05/05/77/680050577.db2.gz REDWPCPEZAXYQF-UHFFFAOYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751434768 680174844 /nfs/dbraw/zinc/17/48/44/680174844.db2.gz GXGXYGYOFQYIQG-SNVBAGLBSA-N -1 1 360.388 2.197 20 5 FEBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000756216139 680466884 /nfs/dbraw/zinc/46/68/84/680466884.db2.gz JZUVPMXWQIACET-CYBMUJFWSA-N -1 1 374.390 2.134 20 5 FEBDMM CC1CCC(N(C)C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000769049749 680969066 /nfs/dbraw/zinc/96/90/66/680969066.db2.gz SHOCIKZZFGLDPV-UHFFFAOYSA-N -1 1 350.371 2.494 20 5 FEBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842936278 680976199 /nfs/dbraw/zinc/97/61/99/680976199.db2.gz SLSFRHJCYBVZNK-VHSXEESVSA-N -1 1 355.778 2.372 20 5 FEBDMM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)c([O-])c1 ZINC000778827039 681653106 /nfs/dbraw/zinc/65/31/06/681653106.db2.gz HQUBRALRLNEXST-UHFFFAOYSA-N -1 1 356.132 2.116 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1 ZINC000849337090 681690671 /nfs/dbraw/zinc/69/06/71/681690671.db2.gz 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CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000859409249 683103057 /nfs/dbraw/zinc/10/30/57/683103057.db2.gz PAFOTTDYMRMTPN-LJGSYFOKSA-N -1 1 355.199 2.357 20 5 FEBDMM CC(C)(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000796445388 683162389 /nfs/dbraw/zinc/16/23/89/683162389.db2.gz XTRLIPOCXVGIBT-UHFFFAOYSA-N -1 1 362.304 2.484 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000867114105 684212445 /nfs/dbraw/zinc/21/24/45/684212445.db2.gz ZWDCHBOTFNVZEE-SMDDNHRTSA-N -1 1 358.391 2.278 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000011908677 539538621 /nfs/dbraw/zinc/53/86/21/539538621.db2.gz LXQYGOKADBZIMB-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000543130199 541537628 /nfs/dbraw/zinc/53/76/28/541537628.db2.gz MZNOPGKBXLOYKO-UHFFFAOYSA-N -1 1 362.342 2.156 20 5 FEBDMM Cc1nc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n[nH]1 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CCC(CC)(CO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000159244786 545935341 /nfs/dbraw/zinc/93/53/41/545935341.db2.gz TWISRJVDKKIORX-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)OCCO2 ZINC000479814563 561197552 /nfs/dbraw/zinc/19/75/52/561197552.db2.gz KNGRVFUGWHVEDB-UHFFFAOYSA-N -1 1 373.365 2.174 20 5 FEBDMM O=C(NCc1ccnc(OC2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484244826 561294357 /nfs/dbraw/zinc/29/43/57/561294357.db2.gz NNYDREHWKJGYNX-UHFFFAOYSA-N -1 1 358.354 2.342 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000268788314 550116265 /nfs/dbraw/zinc/11/62/65/550116265.db2.gz LBMKVUVAYBECSL-SNVBAGLBSA-N -1 1 356.791 2.327 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000493340641 561455500 /nfs/dbraw/zinc/45/55/00/561455500.db2.gz WQUMALWWQDUFMQ-UHFFFAOYSA-N -1 1 351.384 2.470 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279714825 550920553 /nfs/dbraw/zinc/92/05/53/550920553.db2.gz OOAMQSVBERCYPI-UHFFFAOYSA-N -1 1 371.397 2.248 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1[N+](=O)[O-] ZINC000284918093 551667325 /nfs/dbraw/zinc/66/73/25/551667325.db2.gz ANZSBMKISYUDST-UHFFFAOYSA-N -1 1 366.395 2.465 20 5 FEBDMM COC(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289328679 552302032 /nfs/dbraw/zinc/30/20/32/552302032.db2.gz LUMXFUIQEOYWMZ-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000289413488 552316871 /nfs/dbraw/zinc/31/68/71/552316871.db2.gz BIQQAIHYSYMMLA-UHFFFAOYSA-N -1 1 356.429 2.050 20 5 FEBDMM O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290478459 552485230 /nfs/dbraw/zinc/48/52/30/552485230.db2.gz WQGUEWIWVNOCNT-LLVKDONJSA-N -1 1 373.331 2.054 20 5 FEBDMM Cc1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000290480148 552485697 /nfs/dbraw/zinc/48/56/97/552485697.db2.gz WROGNUKUIVSXMZ-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290776682 552536192 /nfs/dbraw/zinc/53/61/92/552536192.db2.gz OZCBABKLMAEPLA-HTQZYQBOSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295722124 553049864 /nfs/dbraw/zinc/04/98/64/553049864.db2.gz LTEYQDUWMWFYMJ-MRVPVSSYSA-N -1 1 354.787 2.217 20 5 FEBDMM Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000325692598 553777851 /nfs/dbraw/zinc/77/78/51/553777851.db2.gz CXDJSVBHSBCLTL-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000325824889 553778256 /nfs/dbraw/zinc/77/82/56/553778256.db2.gz SGWMIGIBDDTYSX-UHFFFAOYSA-N -1 1 354.388 2.425 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506363179 561696615 /nfs/dbraw/zinc/69/66/15/561696615.db2.gz LUASJGPTRZORSF-HNNXBMFYSA-N -1 1 353.338 2.132 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)COC3)ccc1[N+](=O)[O-] ZINC000507002763 561713611 /nfs/dbraw/zinc/71/36/11/561713611.db2.gz RMIXIDASCUOGQT-UHFFFAOYSA-N -1 1 364.335 2.124 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)s1 ZINC000512762827 561914527 /nfs/dbraw/zinc/91/45/27/561914527.db2.gz GAZVAENBRZJARU-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM CN(C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000373113067 557631282 /nfs/dbraw/zinc/63/12/82/557631282.db2.gz RJCNEHFBECELOD-OAHLLOKOSA-N -1 1 356.382 2.436 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000373348987 557677339 /nfs/dbraw/zinc/67/73/39/557677339.db2.gz QRIJFYYPVQDLKT-LSDHHAIUSA-N -1 1 358.391 2.217 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000374141917 557830922 /nfs/dbraw/zinc/83/09/22/557830922.db2.gz GLURGOAVKRWCDT-CUOATXAZSA-N -1 1 358.391 2.216 20 5 FEBDMM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347996 557869223 /nfs/dbraw/zinc/86/92/23/557869223.db2.gz DTUMYXCWTPOYOA-AWEZNQCLSA-N -1 1 365.386 2.199 20 5 FEBDMM C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000521638565 562180883 /nfs/dbraw/zinc/18/08/83/562180883.db2.gz YMQCOQAYBZULII-NSHDSACASA-N -1 1 367.452 2.386 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000378565049 558584516 /nfs/dbraw/zinc/58/45/16/558584516.db2.gz DFVVNGRECJSRQE-GFCCVEGCSA-N -1 1 353.338 2.132 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000525128379 562241007 /nfs/dbraw/zinc/24/10/07/562241007.db2.gz AVOQYDVOVQJCNL-UHFFFAOYSA-N -1 1 350.381 2.078 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000416663020 559328524 /nfs/dbraw/zinc/32/85/24/559328524.db2.gz LILGEZZBXLOCJA-UHFFFAOYSA-N -1 1 366.443 2.419 20 5 FEBDMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421927777 559557015 /nfs/dbraw/zinc/55/70/15/559557015.db2.gz SMDDMYBCBUJUAR-MNOVXSKESA-N -1 1 365.386 2.278 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425106236 559687576 /nfs/dbraw/zinc/68/75/76/559687576.db2.gz KDFAXNZMKPLLQV-ZIAGYGMSSA-N -1 1 363.757 2.297 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425298871 559695440 /nfs/dbraw/zinc/69/54/40/559695440.db2.gz JWSODONWXYAQLO-VIFPVBQESA-N -1 1 358.310 2.449 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000438717356 559982632 /nfs/dbraw/zinc/98/26/32/559982632.db2.gz NNJPFUCXIGONQR-UHFFFAOYSA-N -1 1 366.351 2.191 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000451945243 560339915 /nfs/dbraw/zinc/33/99/15/560339915.db2.gz IEOMCFGKSOICAU-SCZZXKLOSA-N -1 1 356.791 2.429 20 5 FEBDMM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000451967235 560341166 /nfs/dbraw/zinc/34/11/66/560341166.db2.gz QJYRRNSVZIEALC-NWDGAFQWSA-N -1 1 354.409 2.499 20 5 FEBDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000477130057 561137401 /nfs/dbraw/zinc/13/74/01/561137401.db2.gz WZSSZPQZJAQTTF-UHFFFAOYSA-N -1 1 374.378 2.432 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC000530486184 562413086 /nfs/dbraw/zinc/41/30/86/562413086.db2.gz HKZBEYPHHJAVLT-CYBMUJFWSA-N -1 1 351.359 2.485 20 5 FEBDMM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530531526 562414753 /nfs/dbraw/zinc/41/47/53/562414753.db2.gz PMDODEAKTHFMNP-UHFFFAOYSA-N -1 1 360.395 2.268 20 5 FEBDMM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000531014574 562431940 /nfs/dbraw/zinc/43/19/40/562431940.db2.gz IUIAJDUKGSDIQX-UHFFFAOYSA-N -1 1 357.301 2.155 20 5 FEBDMM O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000531014574 562431941 /nfs/dbraw/zinc/43/19/41/562431941.db2.gz IUIAJDUKGSDIQX-UHFFFAOYSA-N -1 1 357.301 2.155 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000570073869 568456532 /nfs/dbraw/zinc/45/65/32/568456532.db2.gz PZYRZOWWIHIRLR-ZIAGYGMSSA-N -1 1 363.395 2.188 20 5 FEBDMM C[N@H+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000570283607 568472327 /nfs/dbraw/zinc/47/23/27/568472327.db2.gz YPYQCQKHUCBDPL-AWEZNQCLSA-N -1 1 356.382 2.051 20 5 FEBDMM CN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000570283607 568472329 /nfs/dbraw/zinc/47/23/29/568472329.db2.gz YPYQCQKHUCBDPL-AWEZNQCLSA-N -1 1 356.382 2.051 20 5 FEBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000611463987 601736580 /nfs/dbraw/zinc/73/65/80/601736580.db2.gz NPWKQEMWPCDNHD-AWEZNQCLSA-N -1 1 358.285 2.166 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832905711 601783835 /nfs/dbraw/zinc/78/38/35/601783835.db2.gz PQVMZKUITZMJEZ-UHFFFAOYSA-N -1 1 353.356 2.049 20 5 FEBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821513 674512807 /nfs/dbraw/zinc/51/28/07/674512807.db2.gz NTIJTKYVUNVRLM-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM COC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810213 674511288 /nfs/dbraw/zinc/51/12/88/674511288.db2.gz OYGZMMPMIBEWKO-SSDOTTSWSA-N -1 1 357.215 2.462 20 5 FEBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817667 674512038 /nfs/dbraw/zinc/51/20/38/674512038.db2.gz JPQVNKJNQJNEPG-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)O ZINC000809818690 674512112 /nfs/dbraw/zinc/51/21/12/674512112.db2.gz GXGWQGGGOSENFC-LURJTMIESA-N -1 1 357.215 2.339 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC=CO2)cc1Cl ZINC000809834588 674514721 /nfs/dbraw/zinc/51/47/21/674514721.db2.gz BYTSGEOEIRHMHO-MRVPVSSYSA-N -1 1 350.755 2.358 20 5 FEBDMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845757 674516052 /nfs/dbraw/zinc/51/60/52/674516052.db2.gz VFUIXQWUBSRJHI-MRVPVSSYSA-N -1 1 371.242 2.444 20 5 FEBDMM CCCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826917165 603910619 /nfs/dbraw/zinc/91/06/19/603910619.db2.gz YPJZKVDIWLYOLO-GFCCVEGCSA-N -1 1 362.390 2.070 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097444 604848154 /nfs/dbraw/zinc/84/81/54/604848154.db2.gz OUXVHDJJOLLAOP-AXFHLTTASA-N -1 1 350.375 2.299 20 5 FEBDMM C[C@@H](C[C@H](O)c1cccs1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824394144 607733116 /nfs/dbraw/zinc/73/31/16/607733116.db2.gz VZPWLVFCLRWKSA-WPRPVWTQSA-N -1 1 361.387 2.156 20 5 FEBDMM C[C@@H](C[C@H](O)c1cccs1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824394144 607733119 /nfs/dbraw/zinc/73/31/19/607733119.db2.gz VZPWLVFCLRWKSA-WPRPVWTQSA-N -1 1 361.387 2.156 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccccc1Cl ZINC000826497356 607737116 /nfs/dbraw/zinc/73/71/16/607737116.db2.gz DWRXYEFRBFJRGD-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccccc1Cl ZINC000826497356 607737117 /nfs/dbraw/zinc/73/71/17/607737117.db2.gz DWRXYEFRBFJRGD-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM CCCCOc1ncccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821077576 606702418 /nfs/dbraw/zinc/70/24/18/606702418.db2.gz MEEVQYMKKXIXTO-UHFFFAOYSA-N -1 1 370.373 2.356 20 5 FEBDMM CCCCOc1ncccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821077576 606702420 /nfs/dbraw/zinc/70/24/20/606702420.db2.gz MEEVQYMKKXIXTO-UHFFFAOYSA-N -1 1 370.373 2.356 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC000823613429 607165646 /nfs/dbraw/zinc/16/56/46/607165646.db2.gz IOLXYPIUUCCDKP-UHFFFAOYSA-N -1 1 365.353 2.169 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC000823613429 607165648 /nfs/dbraw/zinc/16/56/48/607165648.db2.gz IOLXYPIUUCCDKP-UHFFFAOYSA-N -1 1 365.353 2.169 20 5 FEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824670145 607903136 /nfs/dbraw/zinc/90/31/36/607903136.db2.gz LASVTLNNQZIJIB-UAXLGHPASA-N -1 1 373.398 2.080 20 5 FEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824670145 607903137 /nfs/dbraw/zinc/90/31/37/607903137.db2.gz LASVTLNNQZIJIB-UAXLGHPASA-N -1 1 373.398 2.080 20 5 FEBDMM CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C(=O)[O-])C1 ZINC000563456256 674891639 /nfs/dbraw/zinc/89/16/39/674891639.db2.gz UHLMGZBKIXNKKZ-LSDHHAIUSA-N -1 1 352.387 2.446 20 5 FEBDMM CCCCOCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815003228 674894656 /nfs/dbraw/zinc/89/46/56/674894656.db2.gz KDCOHSJXGIHMTD-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1CO ZINC000815015395 674896499 /nfs/dbraw/zinc/89/64/99/674896499.db2.gz KDQRVMCRRXBXNQ-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016960 674897266 /nfs/dbraw/zinc/89/72/66/674897266.db2.gz SGUQUHNEQYOQMT-QMMMGPOBSA-N -1 1 354.787 2.073 20 5 FEBDMM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023800 674900180 /nfs/dbraw/zinc/90/01/80/674900180.db2.gz IPISSAFOVPTBJZ-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1 ZINC000029834568 670104117 /nfs/dbraw/zinc/10/41/17/670104117.db2.gz QRFKDIRUKOZYQG-UHFFFAOYSA-N -1 1 369.742 2.484 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000609494666 675923580 /nfs/dbraw/zinc/92/35/80/675923580.db2.gz HEPVRAMQDWHPNI-JOCHJYFZSA-N -1 1 354.409 2.441 20 5 FEBDMM CC(C)CCSc1ccc(C(=O)NCc2nn[n-]n2)cc1[N+](=O)[O-] ZINC000609532373 675924843 /nfs/dbraw/zinc/92/48/43/675924843.db2.gz LYJQYNMVTOBNJV-UHFFFAOYSA-N -1 1 350.404 2.176 20 5 FEBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119735696 671906958 /nfs/dbraw/zinc/90/69/58/671906958.db2.gz OURPZVAJKAKRRM-UHFFFAOYSA-N -1 1 357.413 2.319 20 5 FEBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F ZINC000610259660 675961471 /nfs/dbraw/zinc/96/14/71/675961471.db2.gz JDGRBHOPOSFNAY-SECBINFHSA-N -1 1 355.347 2.177 20 5 FEBDMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610267153 675963341 /nfs/dbraw/zinc/96/33/41/675963341.db2.gz FEHXXOMXTNYYDP-LBPRGKRZSA-N -1 1 351.384 2.044 20 5 FEBDMM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582416744 672000537 /nfs/dbraw/zinc/00/05/37/672000537.db2.gz XPUHZJWGPHYMOF-UHFFFAOYSA-N -1 1 373.431 2.026 20 5 FEBDMM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175131826 672365602 /nfs/dbraw/zinc/36/56/02/672365602.db2.gz SFEGLZKMHFEPIC-XHDPSFHLSA-N -1 1 360.407 2.463 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])n1 ZINC000611107557 676018209 /nfs/dbraw/zinc/01/82/09/676018209.db2.gz QTIJOGCWWYSCMG-ZDUSSCGKSA-N -1 1 367.431 2.190 20 5 FEBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ncc2Br)s1 ZINC000312231236 673028132 /nfs/dbraw/zinc/02/81/32/673028132.db2.gz KSLBTHVWOZTRHM-UHFFFAOYSA-N -1 1 358.177 2.419 20 5 FEBDMM CC(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594392990 673067023 /nfs/dbraw/zinc/06/70/23/673067023.db2.gz JUBCRWKHMOGEGT-LLVKDONJSA-N -1 1 353.375 2.039 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000539796961 673507013 /nfs/dbraw/zinc/50/70/13/673507013.db2.gz BXPYNXULKCEFDG-LBPRGKRZSA-N -1 1 367.358 2.321 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598610443 673590094 /nfs/dbraw/zinc/59/00/94/673590094.db2.gz BXZHPASJGJSRDS-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000599207778 673641381 /nfs/dbraw/zinc/64/13/81/673641381.db2.gz BCZNGVONZMUNGB-ZDUSSCGKSA-N -1 1 356.379 2.143 20 5 FEBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000547891219 673898552 /nfs/dbraw/zinc/89/85/52/673898552.db2.gz RSOSWWJXNGFVNG-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM CCOc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000548764230 673993263 /nfs/dbraw/zinc/99/32/63/673993263.db2.gz DJMNKHSYEFPEIG-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000566367531 675208603 /nfs/dbraw/zinc/20/86/03/675208603.db2.gz FRKWFHMLPYXJCX-PSASIEDQSA-N -1 1 360.313 2.500 20 5 FEBDMM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC000820753436 675385301 /nfs/dbraw/zinc/38/53/01/675385301.db2.gz GEGQEXAHHDOSIV-UHFFFAOYSA-N -1 1 355.225 2.244 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000828288377 675810664 /nfs/dbraw/zinc/81/06/64/675810664.db2.gz ILAJHQTXVDEXDN-NKWVEPMBSA-N -1 1 355.199 2.357 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](C)O ZINC000832308762 680122325 /nfs/dbraw/zinc/12/23/25/680122325.db2.gz CWMLFMSUUKQEDK-SVRRBLITSA-N -1 1 357.215 2.339 20 5 FEBDMM CCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC ZINC000751987307 680216070 /nfs/dbraw/zinc/21/60/70/680216070.db2.gz FJEKYCXEDBFOLN-VIFPVBQESA-N -1 1 350.418 2.057 20 5 FEBDMM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000754039129 680332738 /nfs/dbraw/zinc/33/27/38/680332738.db2.gz ZMLGDLQIWBERGA-UHFFFAOYSA-N -1 1 371.802 2.173 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])co1 ZINC000756531351 680483596 /nfs/dbraw/zinc/48/35/96/680483596.db2.gz YHPFBNJBQTVWOG-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1 ZINC000841573874 680900982 /nfs/dbraw/zinc/90/09/82/680900982.db2.gz FFTLGAZAMBAQED-LBPRGKRZSA-N -1 1 360.407 2.344 20 5 FEBDMM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836017 680960429 /nfs/dbraw/zinc/96/04/29/680960429.db2.gz RCUTZSVJBUXSAC-UHFFFAOYSA-N -1 1 357.413 2.155 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(F)cc1F ZINC000769049897 680969102 /nfs/dbraw/zinc/96/91/02/680969102.db2.gz XYAFMHZJYXGIPI-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cc(F)ccc1F ZINC000769050463 680969115 /nfs/dbraw/zinc/96/91/15/680969115.db2.gz WVTLUBISCXBHAT-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000769900146 680999553 /nfs/dbraw/zinc/99/95/53/680999553.db2.gz ADEXYQYMVKZCSR-ZETCQYMHSA-N -1 1 360.779 2.288 20 5 FEBDMM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000775723936 681328572 /nfs/dbraw/zinc/32/85/72/681328572.db2.gz IFJQDRCVRNQFAH-ZUZCIYMTSA-N -1 1 374.390 2.134 20 5 FEBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000848478645 681558397 /nfs/dbraw/zinc/55/83/97/681558397.db2.gz QNGWOHFPYJCPEV-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM O=C([N-]CCOCC(F)(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580530 681581748 /nfs/dbraw/zinc/58/17/48/681581748.db2.gz XGFSQUAIMZWNOF-UHFFFAOYSA-N -1 1 358.219 2.262 20 5 FEBDMM O=C([N-]Cc1nnc(C2CC2)o1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588518 681584005 /nfs/dbraw/zinc/58/40/05/681584005.db2.gz UWFGANAQGRUELW-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1SCCS1 ZINC000851832362 682152766 /nfs/dbraw/zinc/15/27/66/682152766.db2.gz ITXPSJYVYZONAM-UHFFFAOYSA-N -1 1 354.862 2.333 20 5 FEBDMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000784374999 682221068 /nfs/dbraw/zinc/22/10/68/682221068.db2.gz YJEGFUARQYHSJS-NSHDSACASA-N -1 1 372.374 2.253 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000788688989 682550725 /nfs/dbraw/zinc/55/07/25/682550725.db2.gz QVVIMPCNGCGVDI-UHFFFAOYSA-N -1 1 374.846 2.469 20 5 FEBDMM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796008871 683117518 /nfs/dbraw/zinc/11/75/18/683117518.db2.gz LDRFPPZKAUGRAF-CQSZACIVSA-N -1 1 368.386 2.308 20 5 FEBDMM CO[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000921403527 683458522 /nfs/dbraw/zinc/45/85/22/683458522.db2.gz ZAPBQXSZIAIMGM-LBPRGKRZSA-N -1 1 366.848 2.049 20 5 FEBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872652214 684995892 /nfs/dbraw/zinc/99/58/92/684995892.db2.gz AIFPCDPNRBKAAZ-AWAWDMARSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000882870629 687519448 /nfs/dbraw/zinc/51/94/48/687519448.db2.gz NKBVAWBTLICTCM-RXMQYKEDSA-N -1 1 359.148 2.289 20 5 FEBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000024485208 539733056 /nfs/dbraw/zinc/73/30/56/539733056.db2.gz YRJSNTOEBGHYMT-JTQLQIEISA-N -1 1 370.408 2.239 20 5 FEBDMM CN(C)c1ncnc(Cl)c1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000801289857 674117892 /nfs/dbraw/zinc/11/78/92/674117892.db2.gz MFMHDSQPLNYMCO-UHFFFAOYSA-N -1 1 352.734 2.167 20 5 FEBDMM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124697431 543837266 /nfs/dbraw/zinc/83/72/66/543837266.db2.gz KNBSLSAUKWCFFQ-WCQYABFASA-N -1 1 370.452 2.489 20 5 FEBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000125311705 543874625 /nfs/dbraw/zinc/87/46/25/543874625.db2.gz XBHJXZLNJMOEQA-LLVKDONJSA-N -1 1 356.425 2.285 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000126904384 543963207 /nfs/dbraw/zinc/96/32/07/543963207.db2.gz DAZRBCCMCUJHPW-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000130312150 544146170 /nfs/dbraw/zinc/14/61/70/544146170.db2.gz XSOLZOMEDDGRTK-MRXNPFEDSA-N -1 1 359.382 2.342 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154918402 544965152 /nfs/dbraw/zinc/96/51/52/544965152.db2.gz CFXZQSGJQPYWNA-UHFFFAOYSA-N -1 1 373.340 2.038 20 5 FEBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000184118228 327851871 /nfs/dbraw/zinc/85/18/71/327851871.db2.gz YSSFNEPTNFVIIA-UHFFFAOYSA-N -1 1 358.741 2.415 20 5 FEBDMM O=C(NCCc1nc(C(F)(F)F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187153123 328005459 /nfs/dbraw/zinc/00/54/59/328005459.db2.gz OUUVYXJVASXDTG-UHFFFAOYSA-N -1 1 362.289 2.143 20 5 FEBDMM O=C(NCc1ccccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193402800 328373224 /nfs/dbraw/zinc/37/32/24/328373224.db2.gz QPJPGXUNPIVUAS-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000193454584 328376574 /nfs/dbraw/zinc/37/65/74/328376574.db2.gz IZSZCHVUPSVIQZ-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)s1 ZINC000121418559 326337296 /nfs/dbraw/zinc/33/72/96/326337296.db2.gz ZSPVDPOLGXPODZ-GFCCVEGCSA-N -1 1 356.425 2.448 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163197510 327045696 /nfs/dbraw/zinc/04/56/96/327045696.db2.gz WRNPSLDNKMIDRH-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000170873870 327104369 /nfs/dbraw/zinc/10/43/69/327104369.db2.gz TVLSKDZETUGJMA-UHFFFAOYSA-N -1 1 360.388 2.325 20 5 FEBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000173350911 327251503 /nfs/dbraw/zinc/25/15/03/327251503.db2.gz WWRTVWLCEOUSQC-AWEZNQCLSA-N -1 1 354.384 2.416 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000246712499 328639364 /nfs/dbraw/zinc/63/93/64/328639364.db2.gz CSUVPQKDLNGEIR-ZWKOPEQDSA-N -1 1 360.819 2.340 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)s1 ZINC000554914599 674341196 /nfs/dbraw/zinc/34/11/96/674341196.db2.gz JOPHLXFTRCVBBC-SWLSCSKDSA-N -1 1 368.436 2.101 20 5 FEBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000478602830 561170808 /nfs/dbraw/zinc/17/08/08/561170808.db2.gz OSYWRZJYTDLPCZ-JTQLQIEISA-N -1 1 364.431 2.486 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160430206 546039929 /nfs/dbraw/zinc/03/99/29/546039929.db2.gz FSXYVMSVNUOXDA-CJNGLKHVSA-N -1 1 370.409 2.336 20 5 FEBDMM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl ZINC000160547984 546051479 /nfs/dbraw/zinc/05/14/79/546051479.db2.gz YAAKRGPYBKHFOP-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000480064752 561202380 /nfs/dbraw/zinc/20/23/80/561202380.db2.gz DDTMVPLGIYIZAE-QWHCGFSZSA-N -1 1 374.463 2.073 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)s1 ZINC000178882117 546866259 /nfs/dbraw/zinc/86/62/59/546866259.db2.gz WRTUFELCMWOYCJ-GFCCVEGCSA-N -1 1 356.425 2.101 20 5 FEBDMM O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182632870 547525033 /nfs/dbraw/zinc/52/50/33/547525033.db2.gz ZFCTWQXNPUHYHP-KBPBESRZSA-N -1 1 365.292 2.234 20 5 FEBDMM Cc1cc(Br)c([O-])c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000182928834 547573834 /nfs/dbraw/zinc/57/38/34/547573834.db2.gz AHWJWHVOBROMHV-UHFFFAOYSA-N -1 1 355.148 2.207 20 5 FEBDMM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000484545761 561299631 /nfs/dbraw/zinc/29/96/31/561299631.db2.gz XAIYGWRKQFSINX-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC000491605213 561447086 /nfs/dbraw/zinc/44/70/86/561447086.db2.gz TUFADDJTKDPDGB-UHFFFAOYSA-N -1 1 361.379 2.256 20 5 FEBDMM O=C(NCc1ccc(N2CCCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274909929 550564209 /nfs/dbraw/zinc/56/42/09/550564209.db2.gz TYAQKGPVLOWOTI-UHFFFAOYSA-N -1 1 357.370 2.011 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000277000936 550620370 /nfs/dbraw/zinc/62/03/70/550620370.db2.gz WKSFVMOSFNDKHT-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277972415 550734604 /nfs/dbraw/zinc/73/46/04/550734604.db2.gz FHAOAQCCRXJPHN-BONVTDFDSA-N -1 1 361.354 2.210 20 5 FEBDMM O=c1nc(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000281038280 551057088 /nfs/dbraw/zinc/05/70/88/551057088.db2.gz VHKZYCULUQDCMC-UHFFFAOYSA-N -1 1 368.191 2.153 20 5 FEBDMM O=c1nc([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000285740220 551803905 /nfs/dbraw/zinc/80/39/05/551803905.db2.gz UBVAIMLOEDBLKE-MRVPVSSYSA-N -1 1 357.292 2.409 20 5 FEBDMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000290368815 552468005 /nfs/dbraw/zinc/46/80/05/552468005.db2.gz NCVNNACMKGVJMV-JTQLQIEISA-N -1 1 359.304 2.126 20 5 FEBDMM C[C@@](CO)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000325927278 553778654 /nfs/dbraw/zinc/77/86/54/553778654.db2.gz WLGLJFAWSLYCSE-HNNXBMFYSA-N -1 1 370.814 2.434 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000511159029 561859576 /nfs/dbraw/zinc/85/95/76/561859576.db2.gz XCRYSHPXSCYGMM-LLVKDONJSA-N -1 1 362.835 2.468 20 5 FEBDMM Cc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000364032139 555236665 /nfs/dbraw/zinc/23/66/65/555236665.db2.gz HYEORGCGESUZQL-UHFFFAOYSA-N -1 1 356.382 2.356 20 5 FEBDMM C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365767861 555663444 /nfs/dbraw/zinc/66/34/44/555663444.db2.gz DKHSWWRVBWUPGL-JTQLQIEISA-N -1 1 369.337 2.106 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000365779588 555666278 /nfs/dbraw/zinc/66/62/78/555666278.db2.gz IVTKQSJXRLAXMW-CYBMUJFWSA-N -1 1 353.338 2.132 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](CO)c3ccccc32)s1 ZINC000370408365 556863689 /nfs/dbraw/zinc/86/36/89/556863689.db2.gz VQMDBKFHGVTRPZ-SKDRFNHKSA-N -1 1 354.409 2.156 20 5 FEBDMM Cc1ccc(N2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000373106568 557630081 /nfs/dbraw/zinc/63/00/81/557630081.db2.gz KLGXCKTWRMOJMA-UHFFFAOYSA-N -1 1 356.382 2.356 20 5 FEBDMM C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373885748 557780107 /nfs/dbraw/zinc/78/01/07/557780107.db2.gz NGNRKMJHSHNTCU-AWEZNQCLSA-N -1 1 370.409 2.432 20 5 FEBDMM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000374514093 557893490 /nfs/dbraw/zinc/89/34/90/557893490.db2.gz MXQGDXFZDNHGGM-LBPRGKRZSA-N -1 1 370.818 2.338 20 5 FEBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000375161276 557985472 /nfs/dbraw/zinc/98/54/72/557985472.db2.gz SEFKKFJAANNMQX-KBPBESRZSA-N -1 1 358.402 2.083 20 5 FEBDMM COc1cccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000523415657 562212606 /nfs/dbraw/zinc/21/26/06/562212606.db2.gz HQHFFQCZTBZBTO-UHFFFAOYSA-N -1 1 372.424 2.412 20 5 FEBDMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000393151317 558620233 /nfs/dbraw/zinc/62/02/33/558620233.db2.gz HMWHEPDFIISCOX-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525186363 562242320 /nfs/dbraw/zinc/24/23/20/562242320.db2.gz MVJCCFUFDXMGKA-NSHDSACASA-N -1 1 351.384 2.428 20 5 FEBDMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424258278 559659541 /nfs/dbraw/zinc/65/95/41/559659541.db2.gz LMRUWXVDXGORSM-AWEZNQCLSA-N -1 1 361.398 2.203 20 5 FEBDMM C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425039170 559684609 /nfs/dbraw/zinc/68/46/09/559684609.db2.gz MNOMZQQGVXKYNF-GWCFXTLKSA-N -1 1 365.386 2.278 20 5 FEBDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432258754 559854961 /nfs/dbraw/zinc/85/49/61/559854961.db2.gz OQLPXQRRDBWORK-OAHLLOKOSA-N -1 1 366.399 2.198 20 5 FEBDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000432274144 559855266 /nfs/dbraw/zinc/85/52/66/559855266.db2.gz HSLTWIDNJDDKRF-OAHLLOKOSA-N -1 1 366.399 2.198 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000435796864 559930239 /nfs/dbraw/zinc/93/02/39/559930239.db2.gz CKNOQBWWABUKML-ZDUSSCGKSA-N -1 1 364.427 2.210 20 5 FEBDMM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC000436775873 559951610 /nfs/dbraw/zinc/95/16/10/559951610.db2.gz YHXZWZAHRQXLHJ-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000437002838 559959296 /nfs/dbraw/zinc/95/92/96/559959296.db2.gz NJDUYNLNBSSEDS-UHFFFAOYSA-N -1 1 366.351 2.318 20 5 FEBDMM O=C(NC1(Cc2ccccc2)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456817531 560533670 /nfs/dbraw/zinc/53/36/70/560533670.db2.gz ZRRNKAUVEYHTTK-UHFFFAOYSA-N -1 1 357.366 2.217 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000469012308 560944814 /nfs/dbraw/zinc/94/48/14/560944814.db2.gz PYCVYIMSVVICFR-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477044032 561135222 /nfs/dbraw/zinc/13/52/22/561135222.db2.gz OMVLPOCBJKLKBW-UHFFFAOYSA-N -1 1 362.415 2.275 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000532605535 562483028 /nfs/dbraw/zinc/48/30/28/562483028.db2.gz RWNKZDMISPZJDO-LBPRGKRZSA-N -1 1 355.416 2.150 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000533174952 562500271 /nfs/dbraw/zinc/50/02/71/562500271.db2.gz SHSZCZROVDUDSO-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000556177422 674391017 /nfs/dbraw/zinc/39/10/17/674391017.db2.gz VGNGZANZKNHYKK-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM O=C(c1c(F)ccc([O-])c1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000569493509 568403335 /nfs/dbraw/zinc/40/33/35/568403335.db2.gz UINQPSZCXLWYRR-UHFFFAOYSA-N -1 1 350.277 2.482 20 5 FEBDMM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821611254 607348105 /nfs/dbraw/zinc/34/81/05/607348105.db2.gz XYMGOOPCEXHGDG-AREMUKBSSA-N -1 1 372.410 2.149 20 5 FEBDMM CN(Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825971821 607453717 /nfs/dbraw/zinc/45/37/17/607453717.db2.gz OQXHJCQNGIQVGR-SANMLTNESA-N -1 1 372.410 2.149 20 5 FEBDMM CN(Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825971821 607453718 /nfs/dbraw/zinc/45/37/18/607453718.db2.gz OQXHJCQNGIQVGR-SANMLTNESA-N -1 1 372.410 2.149 20 5 FEBDMM O=C([O-])c1cc(NC(=O)c2cn[nH]c2-c2ccncc2)cc([N+](=O)[O-])c1 ZINC000833300376 601084067 /nfs/dbraw/zinc/08/40/67/601084067.db2.gz MUHWIHUUYKRBEE-UHFFFAOYSA-N -1 1 353.294 2.330 20 5 FEBDMM O=C([O-])CCC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000833225312 601798296 /nfs/dbraw/zinc/79/82/96/601798296.db2.gz FUKKARJCDCJZBW-UHFFFAOYSA-N -1 1 359.386 2.388 20 5 FEBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830633139 677051713 /nfs/dbraw/zinc/05/17/13/677051713.db2.gz JTEXISHJTDPEKL-GFCCVEGCSA-N -1 1 369.226 2.341 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809825384 674513336 /nfs/dbraw/zinc/51/33/36/674513336.db2.gz NZXSOVQSSAXPHZ-MRVPVSSYSA-N -1 1 371.198 2.132 20 5 FEBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829851 674513958 /nfs/dbraw/zinc/51/39/58/674513958.db2.gz NJYKRYWBQGETDV-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000809848372 674516298 /nfs/dbraw/zinc/51/62/98/674516298.db2.gz AXFCWMTWERKYOO-UHFFFAOYSA-N -1 1 351.768 2.322 20 5 FEBDMM COc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829501293 603987370 /nfs/dbraw/zinc/98/73/70/603987370.db2.gz YSEYKRSWZJNIEE-OLZOCXBDSA-N -1 1 365.386 2.199 20 5 FEBDMM CC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000829161727 604263407 /nfs/dbraw/zinc/26/34/07/604263407.db2.gz POEDLKBPDJRZGF-NSHDSACASA-N -1 1 371.821 2.493 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097170 604930417 /nfs/dbraw/zinc/93/04/17/604930417.db2.gz GQZBFFNFZOXPIZ-AWEZNQCLSA-N -1 1 358.354 2.266 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823066414 606293486 /nfs/dbraw/zinc/29/34/86/606293486.db2.gz YMXRHMCYLBVAOO-UHFFFAOYSA-N -1 1 372.366 2.211 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000823614552 606698610 /nfs/dbraw/zinc/69/86/10/606698610.db2.gz QMOLMJBNROXHGI-UHFFFAOYSA-N -1 1 373.323 2.127 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000823614552 606698614 /nfs/dbraw/zinc/69/86/14/606698614.db2.gz QMOLMJBNROXHGI-UHFFFAOYSA-N -1 1 373.323 2.127 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOCCc1ccccc1 ZINC000823625496 606700953 /nfs/dbraw/zinc/70/09/53/606700953.db2.gz WRMYPTGZPJLTOP-UHFFFAOYSA-N -1 1 369.385 2.231 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOCCc1ccccc1 ZINC000823625496 606700955 /nfs/dbraw/zinc/70/09/55/606700955.db2.gz WRMYPTGZPJLTOP-UHFFFAOYSA-N -1 1 369.385 2.231 20 5 FEBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232099 607039620 /nfs/dbraw/zinc/03/96/20/607039620.db2.gz DGAVJFUUNOAIAX-NOZJJQNGSA-N -1 1 373.348 2.233 20 5 FEBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232099 607039621 /nfs/dbraw/zinc/03/96/21/607039621.db2.gz DGAVJFUUNOAIAX-NOZJJQNGSA-N -1 1 373.348 2.233 20 5 FEBDMM CCn1cc(C2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)cn1 ZINC000825800017 607841137 /nfs/dbraw/zinc/84/11/37/607841137.db2.gz ZKZITYALBMZNPP-UHFFFAOYSA-N -1 1 368.401 2.375 20 5 FEBDMM Cc1csc([C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CCO2)n1 ZINC000826321072 607841548 /nfs/dbraw/zinc/84/15/48/607841548.db2.gz PCBBQCIMNTXFPQ-ZDUSSCGKSA-N -1 1 373.398 2.118 20 5 FEBDMM Cc1csc([C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CCO2)n1 ZINC000826321072 607841549 /nfs/dbraw/zinc/84/15/49/607841549.db2.gz PCBBQCIMNTXFPQ-ZDUSSCGKSA-N -1 1 373.398 2.118 20 5 FEBDMM Cc1ccoc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000813744475 674776621 /nfs/dbraw/zinc/77/66/21/674776621.db2.gz MAMHHQKIIGNOOZ-UHFFFAOYSA-N -1 1 369.355 2.500 20 5 FEBDMM CC(Nc1ccc([N+](=O)[O-])cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814347387 674833143 /nfs/dbraw/zinc/83/31/43/674833143.db2.gz NGRGVFICHDQDCW-JLHYYAGUSA-N -1 1 362.411 2.180 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000815016676 674897308 /nfs/dbraw/zinc/89/73/08/674897308.db2.gz LTNPZEQUFUCBFT-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000815019827 674898562 /nfs/dbraw/zinc/89/85/62/674898562.db2.gz OLZFJOVVHCOEIP-SFYZADRCSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000016151526 670016059 /nfs/dbraw/zinc/01/60/59/670016059.db2.gz GZBYJHODORSSQO-UHFFFAOYSA-N -1 1 362.289 2.314 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCC2(O)CCC2)cc1Cl ZINC000817146595 675104977 /nfs/dbraw/zinc/10/49/77/675104977.db2.gz ROYFJRYQURFODB-UHFFFAOYSA-N -1 1 366.798 2.361 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000066587213 670444391 /nfs/dbraw/zinc/44/43/91/670444391.db2.gz GDKBWZXYPYCMFU-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM Cn1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc2ccccc21 ZINC000119362567 671897635 /nfs/dbraw/zinc/89/76/35/671897635.db2.gz OLECIWLADCUCGF-UHFFFAOYSA-N -1 1 352.397 2.022 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000610260034 675961538 /nfs/dbraw/zinc/96/15/38/675961538.db2.gz VPBYGIPNSXTHNF-UHFFFAOYSA-N -1 1 361.301 2.487 20 5 FEBDMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610263379 675962407 /nfs/dbraw/zinc/96/24/07/675962407.db2.gz OSDBSCBELMOVCK-UHFFFAOYSA-N -1 1 365.411 2.255 20 5 FEBDMM CS(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC000610339840 675967285 /nfs/dbraw/zinc/96/72/85/675967285.db2.gz WKKVZFJVWAJEFM-UHFFFAOYSA-N -1 1 354.315 2.095 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000134667051 672125388 /nfs/dbraw/zinc/12/53/88/672125388.db2.gz VZMZQKKLWDLATE-UHFFFAOYSA-N -1 1 358.322 2.475 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000610786527 675996947 /nfs/dbraw/zinc/99/69/47/675996947.db2.gz CYKYYIXDQGSXDW-LBPRGKRZSA-N -1 1 371.802 2.309 20 5 FEBDMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175131840 672365492 /nfs/dbraw/zinc/36/54/92/672365492.db2.gz SFEGLZKMHFEPIC-NHYWBVRUSA-N -1 1 360.407 2.463 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])n1 ZINC000611105414 676017727 /nfs/dbraw/zinc/01/77/27/676017727.db2.gz KUKVBPNCPISSET-ZDUSSCGKSA-N -1 1 350.400 2.085 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)cc2C)c([N+](=O)[O-])n1 ZINC000611105823 676017748 /nfs/dbraw/zinc/01/77/48/676017748.db2.gz WKKJIDLABYOTCC-CYBMUJFWSA-N -1 1 366.443 2.338 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000589302045 672520882 /nfs/dbraw/zinc/52/08/82/672520882.db2.gz ISWZMQUHBHQWCV-VIFPVBQESA-N -1 1 367.221 2.061 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246062361 672829176 /nfs/dbraw/zinc/82/91/76/672829176.db2.gz WKBGGIIIJIDARW-LOWVWBTDSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000612174216 676072105 /nfs/dbraw/zinc/07/21/05/676072105.db2.gz BFEUZAMAQHKXDS-ZIAGYGMSSA-N -1 1 360.819 2.484 20 5 FEBDMM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000462689489 673275788 /nfs/dbraw/zinc/27/57/88/673275788.db2.gz OWUYCSLBMQYIHU-SECBINFHSA-N -1 1 364.445 2.445 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c([N+](=O)[O-])c1 ZINC000733868400 673441365 /nfs/dbraw/zinc/44/13/65/673441365.db2.gz FXQRVTGWKXHBOB-UHFFFAOYSA-N -1 1 365.411 2.466 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c1 ZINC000542713804 673599173 /nfs/dbraw/zinc/59/91/73/673599173.db2.gz KIMPIKOJPQHDTA-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM CCC(C)(C)CS(=O)(=O)[N-][C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599484985 673682331 /nfs/dbraw/zinc/68/23/31/673682331.db2.gz RHORYKPCKBTDAF-INIZCTEOSA-N -1 1 372.443 2.339 20 5 FEBDMM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000742283229 673718622 /nfs/dbraw/zinc/71/86/22/673718622.db2.gz HRMHXHJNTDCFJR-LBPRGKRZSA-N -1 1 351.384 2.044 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000545364042 673763509 /nfs/dbraw/zinc/76/35/09/673763509.db2.gz PWCTWFFVOSUHKW-CYBMUJFWSA-N -1 1 372.349 2.026 20 5 FEBDMM NC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000760773607 680700574 /nfs/dbraw/zinc/70/05/74/680700574.db2.gz SPCSMFZLFIMPJQ-AWEZNQCLSA-N -1 1 364.741 2.207 20 5 FEBDMM O=C(CSc1ccc(Cl)nn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000747805364 679903880 /nfs/dbraw/zinc/90/38/80/679903880.db2.gz GWWNGWJIQVHDQJ-UHFFFAOYSA-N -1 1 352.759 2.087 20 5 FEBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000748319215 679952012 /nfs/dbraw/zinc/95/20/12/679952012.db2.gz QOASKJXPXASOAK-UHFFFAOYSA-N -1 1 353.375 2.278 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000831814022 680047650 /nfs/dbraw/zinc/04/76/50/680047650.db2.gz BLTQGVKCONUJQJ-CYBMUJFWSA-N -1 1 368.386 2.270 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2=CCOCC2)cc1Cl ZINC000831835708 680050151 /nfs/dbraw/zinc/05/01/51/680050151.db2.gz XXACFCHYLXVJFS-UHFFFAOYSA-N -1 1 350.755 2.012 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000841573971 680901080 /nfs/dbraw/zinc/90/10/80/680901080.db2.gz QONRTFJFCTXKFT-RKDXNWHRSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000768811083 680959334 /nfs/dbraw/zinc/95/93/34/680959334.db2.gz GDDMJSYADMJROH-SECBINFHSA-N -1 1 371.444 2.014 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@](C)(O)c1ccccc1 ZINC000845975459 681167986 /nfs/dbraw/zinc/16/79/86/681167986.db2.gz BNRBAUIZQVJEBA-QMTHXVAHSA-N -1 1 356.425 2.231 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000774990117 681263389 /nfs/dbraw/zinc/26/33/89/681263389.db2.gz XZBQTNMIAVDYGF-UHFFFAOYSA-N -1 1 359.260 2.302 20 5 FEBDMM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000775723931 681328548 /nfs/dbraw/zinc/32/85/48/681328548.db2.gz IFJQDRCVRNQFAH-MEBBXXQBSA-N -1 1 374.390 2.134 20 5 FEBDMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067569 681789228 /nfs/dbraw/zinc/78/92/28/681789228.db2.gz HVPKRMSPQDSLRL-IAQYHMDHSA-N -1 1 350.371 2.494 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCOC(F)(F)F)c1 ZINC000788915985 682565748 /nfs/dbraw/zinc/56/57/48/682565748.db2.gz HXXZLBLTGZGRFD-UHFFFAOYSA-N -1 1 362.713 2.371 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc[nH]n1 ZINC000791423600 682742427 /nfs/dbraw/zinc/74/24/27/682742427.db2.gz WAMOVQDFNRCJPC-RXMQYKEDSA-N -1 1 366.186 2.059 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859340826 683087516 /nfs/dbraw/zinc/08/75/16/683087516.db2.gz IVQLUKZBUOSVCX-WEJSYRTGSA-N -1 1 366.798 2.478 20 5 FEBDMM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796100557 683127673 /nfs/dbraw/zinc/12/76/73/683127673.db2.gz SVWVLQXNXPCVCP-HZMBPMFUSA-N -1 1 356.425 2.365 20 5 FEBDMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921497576 683485647 /nfs/dbraw/zinc/48/56/47/683485647.db2.gz PYAYMSZUXGLUNG-HZGVNTEJSA-N -1 1 355.199 2.215 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC3(COC3)CC2)cc1F ZINC000882822168 687503343 /nfs/dbraw/zinc/50/33/43/687503343.db2.gz WSIKEHRZQUJQNZ-UHFFFAOYSA-N -1 1 358.391 2.280 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)cc1F ZINC000908122360 691618480 /nfs/dbraw/zinc/61/84/80/691618480.db2.gz QQBOIKVMWUYKJT-XHDPSFHLSA-N -1 1 370.402 2.280 20 5 FEBDMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000008962425 539495495 /nfs/dbraw/zinc/49/54/95/539495495.db2.gz PIRNTAAZOUZYCY-UHFFFAOYSA-N -1 1 361.379 2.305 20 5 FEBDMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000026541581 539789686 /nfs/dbraw/zinc/78/96/86/539789686.db2.gz KGHLRFBLXXFVFP-UHFFFAOYSA-N -1 1 355.759 2.148 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000800928858 674090593 /nfs/dbraw/zinc/09/05/93/674090593.db2.gz VMJPTBQQGDNIKI-UHFFFAOYSA-N -1 1 360.344 2.383 20 5 FEBDMM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000800967496 674095056 /nfs/dbraw/zinc/09/50/56/674095056.db2.gz MVFGLRVGBZWZJU-GFCCVEGCSA-N -1 1 356.425 2.285 20 5 FEBDMM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1c(F)cccc1F ZINC000115715734 543583229 /nfs/dbraw/zinc/58/32/29/543583229.db2.gz WSGSTVOWXYOOAC-ZDUSSCGKSA-N -1 1 366.324 2.006 20 5 FEBDMM CSCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000128708393 544068111 /nfs/dbraw/zinc/06/81/11/544068111.db2.gz OJWRXSJUXCTALK-UHFFFAOYSA-N -1 1 369.262 2.389 20 5 FEBDMM CSC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000129136355 544092795 /nfs/dbraw/zinc/09/27/95/544092795.db2.gz PGKQUJFDCNRBNO-ZETCQYMHSA-N -1 1 369.262 2.387 20 5 FEBDMM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000129371065 544108893 /nfs/dbraw/zinc/10/88/93/544108893.db2.gz JTZGPPMESOCRHE-GFCCVEGCSA-N -1 1 358.402 2.425 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccco1 ZINC000184269695 327859088 /nfs/dbraw/zinc/85/90/88/327859088.db2.gz UVEJWAGNAJNIHQ-SNVBAGLBSA-N -1 1 360.775 2.243 20 5 FEBDMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000185893845 327937785 /nfs/dbraw/zinc/93/77/85/327937785.db2.gz QOOVMNRUBPMWQM-UHFFFAOYSA-N -1 1 361.383 2.294 20 5 FEBDMM CCc1ccc([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)cc1 ZINC000190912968 328239890 /nfs/dbraw/zinc/23/98/90/328239890.db2.gz GQUSBTOXJZWMJL-MRXNPFEDSA-N -1 1 357.366 2.472 20 5 FEBDMM O=C(NCc1sccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193491715 328378314 /nfs/dbraw/zinc/37/83/14/328378314.db2.gz SZGDVZUDCNEGIV-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000193625570 328386383 /nfs/dbraw/zinc/38/63/83/328386383.db2.gz VYMFNXNGKLTFRV-MEBBXXQBSA-N -1 1 361.329 2.437 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193706227 328390578 /nfs/dbraw/zinc/39/05/78/328390578.db2.gz PWJBWCVMGYVPQQ-UHFFFAOYSA-N -1 1 374.378 2.264 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCOCC1 ZINC000005582873 324349736 /nfs/dbraw/zinc/34/97/36/324349736.db2.gz HCSFNOARJCJHSA-UHFFFAOYSA-N -1 1 363.395 2.232 20 5 FEBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000007907964 324359527 /nfs/dbraw/zinc/35/95/27/324359527.db2.gz DOYUUFCLEPXAOK-UHFFFAOYSA-N -1 1 357.338 2.263 20 5 FEBDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000031669364 324471029 /nfs/dbraw/zinc/47/10/29/324471029.db2.gz XZNNZYVCSQROIH-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM Cc1nn(C)c(C(=O)[N-]c2nc(-c3ccsc3)ns2)c1[N+](=O)[O-] ZINC000109111993 325659147 /nfs/dbraw/zinc/65/91/47/325659147.db2.gz IXGYBDHMKPARHA-UHFFFAOYSA-N -1 1 350.385 2.469 20 5 FEBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000123764463 326441982 /nfs/dbraw/zinc/44/19/82/326441982.db2.gz YKJGXQCBZMMETQ-SNVBAGLBSA-N -1 1 350.824 2.325 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124831443 326460823 /nfs/dbraw/zinc/46/08/23/326460823.db2.gz VIASJRXFLFGTKB-JSGCOSHPSA-N -1 1 362.835 2.468 20 5 FEBDMM CC(C)OCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000169027163 327087714 /nfs/dbraw/zinc/08/77/14/327087714.db2.gz XVKNQTKAXUKHTM-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000171208669 327124911 /nfs/dbraw/zinc/12/49/11/327124911.db2.gz CJXUNJKZPGYMAG-CQSZACIVSA-N -1 1 365.292 2.187 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(CO)c1 ZINC000178690615 327600788 /nfs/dbraw/zinc/60/07/88/327600788.db2.gz WNTXBDKQUBVPMR-UHFFFAOYSA-N -1 1 356.787 2.219 20 5 FEBDMM COc1ncc(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157285903 545723163 /nfs/dbraw/zinc/72/31/63/545723163.db2.gz HJNFADXKUMUEBX-UHFFFAOYSA-N -1 1 351.384 2.291 20 5 FEBDMM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185195778 547949820 /nfs/dbraw/zinc/94/98/20/547949820.db2.gz OJTJPAMOIOLEJT-QMMMGPOBSA-N -1 1 351.331 2.337 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC000192834550 548374761 /nfs/dbraw/zinc/37/47/61/548374761.db2.gz RQPADIYTNNZEND-UHFFFAOYSA-N -1 1 374.422 2.230 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)c1 ZINC000195125382 548581451 /nfs/dbraw/zinc/58/14/51/548581451.db2.gz YXBDSSARDWXYJQ-UHFFFAOYSA-N -1 1 362.342 2.493 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)c1 ZINC000195125382 548581455 /nfs/dbraw/zinc/58/14/55/548581455.db2.gz YXBDSSARDWXYJQ-UHFFFAOYSA-N -1 1 362.342 2.493 20 5 FEBDMM O=C(NCc1ccccc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000498315101 561521926 /nfs/dbraw/zinc/52/19/26/561521926.db2.gz HNRIWRKCRYOGSS-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCOC2)c(Cl)cc1Cl ZINC000289811841 552382062 /nfs/dbraw/zinc/38/20/62/552382062.db2.gz KCEBFVFQSIDYSX-ZETCQYMHSA-N -1 1 355.199 2.359 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291126979 552590147 /nfs/dbraw/zinc/59/01/47/552590147.db2.gz NXJYKYNYJPSKOB-UHFFFAOYSA-N -1 1 352.372 2.021 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c1Cl ZINC000296328405 553141849 /nfs/dbraw/zinc/14/18/49/553141849.db2.gz QOAMTRLLRLEBIH-HTQZYQBOSA-N -1 1 369.226 2.341 20 5 FEBDMM CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OC(C)C ZINC000299497334 553571884 /nfs/dbraw/zinc/57/18/84/553571884.db2.gz PGCBTGXEEIQEKT-CYBMUJFWSA-N -1 1 351.384 2.045 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000511325682 561865296 /nfs/dbraw/zinc/86/52/96/561865296.db2.gz QIBRUOSXRKMDFP-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000363040629 555016244 /nfs/dbraw/zinc/01/62/44/555016244.db2.gz ZLLUKJVGKONLQG-LLVKDONJSA-N -1 1 373.365 2.342 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513798167 561950266 /nfs/dbraw/zinc/95/02/66/561950266.db2.gz VSNYLGDXFHALPP-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000368286309 556268802 /nfs/dbraw/zinc/26/88/02/556268802.db2.gz ZMVSHOPJBOWPKB-GFCCVEGCSA-N -1 1 370.333 2.426 20 5 FEBDMM CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369355669 556578453 /nfs/dbraw/zinc/57/84/53/556578453.db2.gz YHSCFIAVIBZIQP-CYBMUJFWSA-N -1 1 359.386 2.493 20 5 FEBDMM CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000370876660 556999018 /nfs/dbraw/zinc/99/90/18/556999018.db2.gz NVDLUIDICRSUQR-GFCCVEGCSA-N -1 1 359.386 2.493 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000374141922 557830670 /nfs/dbraw/zinc/83/06/70/557830670.db2.gz GLURGOAVKRWCDT-FZZIBODNSA-N -1 1 358.391 2.216 20 5 FEBDMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525183070 562242105 /nfs/dbraw/zinc/24/21/05/562242105.db2.gz AKGGUBBLOKKCBN-LBPRGKRZSA-N -1 1 351.384 2.044 20 5 FEBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525663213 562251606 /nfs/dbraw/zinc/25/16/06/562251606.db2.gz YBDJDAJFJSZQNU-UHFFFAOYSA-N -1 1 370.364 2.041 20 5 FEBDMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000414382011 559159936 /nfs/dbraw/zinc/15/99/36/559159936.db2.gz JPFPLFNXUFYMIH-UHFFFAOYSA-N -1 1 356.400 2.385 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(C)cc1[N+](=O)[O-] ZINC000414445639 559164371 /nfs/dbraw/zinc/16/43/71/559164371.db2.gz SRGIPPPGNGVXIX-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416475183 559315977 /nfs/dbraw/zinc/31/59/77/559315977.db2.gz SYGORNQRIXSSCU-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])n1 ZINC000416553705 559321402 /nfs/dbraw/zinc/32/14/02/559321402.db2.gz XTFRIBBUBMSODM-NSHDSACASA-N -1 1 368.415 2.168 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)[C@@H]1O ZINC000416616803 559325456 /nfs/dbraw/zinc/32/54/56/559325456.db2.gz APKBDETWVCQEBH-GZMMTYOYSA-N -1 1 370.761 2.075 20 5 FEBDMM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432192313 559853834 /nfs/dbraw/zinc/85/38/34/559853834.db2.gz MPRBMIYXOBBSQG-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000432666580 559862717 /nfs/dbraw/zinc/86/27/17/559862717.db2.gz SAXRZRXLDOIYCV-UHFFFAOYSA-N -1 1 350.356 2.144 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000435799674 559930209 /nfs/dbraw/zinc/93/02/09/559930209.db2.gz MYYXQQKKARULAG-LBPRGKRZSA-N -1 1 352.416 2.111 20 5 FEBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000436163605 559936491 /nfs/dbraw/zinc/93/64/91/559936491.db2.gz WOBGOFLRAFXSGU-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1n[nH]cc1[N+](=O)[O-] ZINC000444373749 560112150 /nfs/dbraw/zinc/11/21/50/560112150.db2.gz LSCNMDMEMIECRI-UHFFFAOYSA-N -1 1 373.369 2.338 20 5 FEBDMM CC(C)(CF)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000472956343 561038687 /nfs/dbraw/zinc/03/86/87/561038687.db2.gz RWOHLFXWZJTABY-UHFFFAOYSA-N -1 1 355.185 2.384 20 5 FEBDMM C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000475010329 561087595 /nfs/dbraw/zinc/08/75/95/561087595.db2.gz VYKYBEOLAFUSEQ-LLVKDONJSA-N -1 1 373.417 2.009 20 5 FEBDMM CN1CCN(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)CC1 ZINC000532643717 562484103 /nfs/dbraw/zinc/48/41/03/562484103.db2.gz CNTRNLNCQWZCRB-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000533175307 562500401 /nfs/dbraw/zinc/50/04/01/562500401.db2.gz PBCPTMKMQLLSIE-SNVBAGLBSA-N -1 1 356.379 2.032 20 5 FEBDMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000536309780 562574205 /nfs/dbraw/zinc/57/42/05/562574205.db2.gz COVSYPPKMURDJF-UHFFFAOYSA-N -1 1 369.330 2.063 20 5 FEBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235880 599163599 /nfs/dbraw/zinc/16/35/99/599163599.db2.gz BEKOVNBRAIEGDW-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235880 599163601 /nfs/dbraw/zinc/16/36/01/599163601.db2.gz BEKOVNBRAIEGDW-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000818853292 597315153 /nfs/dbraw/zinc/31/51/53/597315153.db2.gz ZSLBFUHWBRRQMA-UHFFFAOYSA-N -1 1 350.352 2.331 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000832957393 602201985 /nfs/dbraw/zinc/20/19/85/602201985.db2.gz CMQRIUVZZLPUMA-UHFFFAOYSA-N -1 1 353.356 2.049 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(Cl)cc1Cl ZINC000809829123 674513837 /nfs/dbraw/zinc/51/38/37/674513837.db2.gz WACXNJWOWOCQSX-MRVPVSSYSA-N -1 1 369.226 2.341 20 5 FEBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000611478501 604997737 /nfs/dbraw/zinc/99/77/37/604997737.db2.gz FZMFGQOGBGFQIU-JTQLQIEISA-N -1 1 360.370 2.434 20 5 FEBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833812958 605604612 /nfs/dbraw/zinc/60/46/12/605604612.db2.gz MNTXKMCVDLHPAO-VXGBXAGGSA-N -1 1 365.386 2.234 20 5 FEBDMM O=[N+]([O-])c1cc(NC[C@@H]2COc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC000823635104 606644485 /nfs/dbraw/zinc/64/44/85/606644485.db2.gz RNNRZVUNRMACTD-LLVKDONJSA-N -1 1 354.326 2.027 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC2CCCCC2)CC1 ZINC000823621227 606706366 /nfs/dbraw/zinc/70/63/66/606706366.db2.gz ZYMPYUDWTLNEGH-UHFFFAOYSA-N -1 1 373.417 2.488 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC2CCCCC2)CC1 ZINC000823621227 606706368 /nfs/dbraw/zinc/70/63/68/606706368.db2.gz ZYMPYUDWTLNEGH-UHFFFAOYSA-N -1 1 373.417 2.488 20 5 FEBDMM CCOC(=O)Cc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821333894 606712226 /nfs/dbraw/zinc/71/22/26/606712226.db2.gz DALWGXZTQPZYID-UHFFFAOYSA-N -1 1 369.341 2.019 20 5 FEBDMM CCOC(=O)Cc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821333894 606712227 /nfs/dbraw/zinc/71/22/27/606712227.db2.gz DALWGXZTQPZYID-UHFFFAOYSA-N -1 1 369.341 2.019 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820280587 606712734 /nfs/dbraw/zinc/71/27/34/606712734.db2.gz JTGXLWSUTVWBGS-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820280587 606712735 /nfs/dbraw/zinc/71/27/35/606712735.db2.gz JTGXLWSUTVWBGS-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM Cc1ccc(O[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822258862 606714349 /nfs/dbraw/zinc/71/43/49/606714349.db2.gz FTFIWEJELVBQCU-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1ccc(O[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822258862 606714351 /nfs/dbraw/zinc/71/43/51/606714351.db2.gz FTFIWEJELVBQCU-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM CN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821600451 607162522 /nfs/dbraw/zinc/16/25/22/607162522.db2.gz NCRIXNZWKRRLGT-UHFFFAOYSA-N -1 1 354.374 2.108 20 5 FEBDMM CN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821600451 607162524 /nfs/dbraw/zinc/16/25/24/607162524.db2.gz NCRIXNZWKRRLGT-UHFFFAOYSA-N -1 1 354.374 2.108 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1nc2ccccc2[nH]1 ZINC000823625516 607165422 /nfs/dbraw/zinc/16/54/22/607165422.db2.gz XHOAYQJJRWXWDP-UHFFFAOYSA-N -1 1 365.357 2.091 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1nc2ccccc2[nH]1 ZINC000823625516 607165423 /nfs/dbraw/zinc/16/54/23/607165423.db2.gz XHOAYQJJRWXWDP-UHFFFAOYSA-N -1 1 365.357 2.091 20 5 FEBDMM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826333344 607841943 /nfs/dbraw/zinc/84/19/43/607841943.db2.gz DISNUJXFFPRZBK-AWEZNQCLSA-N -1 1 368.401 2.467 20 5 FEBDMM COc1ccc(C[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000826191545 607968287 /nfs/dbraw/zinc/96/82/87/607968287.db2.gz JEYUFLRSIZLYIB-NSHDSACASA-N -1 1 369.385 2.469 20 5 FEBDMM COc1ccc(C[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000826191545 607968288 /nfs/dbraw/zinc/96/82/88/607968288.db2.gz JEYUFLRSIZLYIB-NSHDSACASA-N -1 1 369.385 2.469 20 5 FEBDMM O=C1CCCc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2N1 ZINC000826480520 608150835 /nfs/dbraw/zinc/15/08/35/608150835.db2.gz FQNMUYMQMCCPGW-UHFFFAOYSA-N -1 1 367.325 2.237 20 5 FEBDMM O=C1CCCc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2N1 ZINC000826480520 608150837 /nfs/dbraw/zinc/15/08/37/608150837.db2.gz FQNMUYMQMCCPGW-UHFFFAOYSA-N -1 1 367.325 2.237 20 5 FEBDMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000813243770 674731342 /nfs/dbraw/zinc/73/13/42/674731342.db2.gz XOYCMRZGPPHYCN-UHFFFAOYSA-N -1 1 373.774 2.344 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000815017022 674897208 /nfs/dbraw/zinc/89/72/08/674897208.db2.gz VAIIBBHIAFABPP-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCO1 ZINC000815023863 674900182 /nfs/dbraw/zinc/90/01/82/674900182.db2.gz KNIGHONGVHODCR-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cn1 ZINC000815025189 674900894 /nfs/dbraw/zinc/90/08/94/674900894.db2.gz SBIUGWYBXBDNNF-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815027011 674901286 /nfs/dbraw/zinc/90/12/86/674901286.db2.gz WOTPUCYZMCARGY-SNVBAGLBSA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC000815033708 674903733 /nfs/dbraw/zinc/90/37/33/674903733.db2.gz QIUFRKNJMLFBJQ-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000815034420 674903842 /nfs/dbraw/zinc/90/38/42/674903842.db2.gz NYZITTFHIIXKCL-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609920989 675943280 /nfs/dbraw/zinc/94/32/80/675943280.db2.gz BIESDZXIXLPEGL-CYBMUJFWSA-N -1 1 358.745 2.281 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124823138 672002717 /nfs/dbraw/zinc/00/27/17/672002717.db2.gz ZFTBVYCAOVGLIS-KBPBESRZSA-N -1 1 362.835 2.468 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127794820 672041509 /nfs/dbraw/zinc/04/15/09/672041509.db2.gz NUDGEEICIIODGL-DGCLKSJQSA-N -1 1 360.407 2.344 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)ccc1[O-] ZINC000152646924 672185248 /nfs/dbraw/zinc/18/52/48/672185248.db2.gz XBBHDWIAEFGLEJ-UHFFFAOYSA-N -1 1 374.172 2.259 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000585722748 672227457 /nfs/dbraw/zinc/22/74/57/672227457.db2.gz YBQLUSQRCMWLDS-UHFFFAOYSA-N -1 1 366.277 2.146 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000159661200 672283982 /nfs/dbraw/zinc/28/39/82/672283982.db2.gz BWLYHOMTQGSHEH-UHFFFAOYSA-N -1 1 356.787 2.475 20 5 FEBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000611104668 676017422 /nfs/dbraw/zinc/01/74/22/676017422.db2.gz CGNHLBIFYXSNLA-NSHDSACASA-N -1 1 368.415 2.249 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589922473 672547914 /nfs/dbraw/zinc/54/79/14/672547914.db2.gz HFKVWBKAZHLJJK-GMSGAONNSA-N -1 1 374.362 2.089 20 5 FEBDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194339902 672756408 /nfs/dbraw/zinc/75/64/08/672756408.db2.gz IMUNJSVRIJNKFX-UHFFFAOYSA-N -1 1 367.358 2.171 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000593740451 672985524 /nfs/dbraw/zinc/98/55/24/672985524.db2.gz YXIYXQIGMZQYIP-OAHLLOKOSA-N -1 1 350.371 2.063 20 5 FEBDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783280 673140637 /nfs/dbraw/zinc/14/06/37/673140637.db2.gz BZPMJCMSDZRYPX-UHFFFAOYSA-N -1 1 350.400 2.161 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])n1 ZINC000594801457 673147973 /nfs/dbraw/zinc/14/79/73/673147973.db2.gz OSRKWMYJKYUVOZ-NSHDSACASA-N -1 1 370.406 2.168 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000733320067 673409350 /nfs/dbraw/zinc/40/93/50/673409350.db2.gz CRFNOLUEDDRLRO-VIFPVBQESA-N -1 1 362.713 2.104 20 5 FEBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(F)c1[O-] ZINC000600445064 673769314 /nfs/dbraw/zinc/76/93/14/673769314.db2.gz LGJNAIVTWIYYGW-JTQLQIEISA-N -1 1 351.338 2.311 20 5 FEBDMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603572231 675800160 /nfs/dbraw/zinc/80/01/60/675800160.db2.gz CPBDLNJUMNMGES-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000603983882 675802714 /nfs/dbraw/zinc/80/27/14/675802714.db2.gz QGXIZOZCBPXTGE-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CCc1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619487462 676380473 /nfs/dbraw/zinc/38/04/73/676380473.db2.gz GFDHNXZSHCRUQG-UHFFFAOYSA-N -1 1 357.413 2.101 20 5 FEBDMM CC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830614408 677050871 /nfs/dbraw/zinc/05/08/71/677050871.db2.gz HYMJYCMGMDMAQJ-NSHDSACASA-N -1 1 357.215 2.341 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)O1 ZINC000841560479 680898095 /nfs/dbraw/zinc/89/80/95/680898095.db2.gz MCFFQDHYHMSPPU-VGMNWLOBSA-N -1 1 366.798 2.479 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000841561992 680898244 /nfs/dbraw/zinc/89/82/44/680898244.db2.gz SGMNHAGEQBYMLA-MFKMUULPSA-N -1 1 350.824 2.322 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)cc1Cl ZINC000841571048 680900625 /nfs/dbraw/zinc/90/06/25/680900625.db2.gz CZYNTHXVUGWZJC-IUCAKERBSA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000841573965 680901154 /nfs/dbraw/zinc/90/11/54/680901154.db2.gz QONRTFJFCTXKFT-DTWKUNHWSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(CSc1ncc2ccccn21)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000844266182 681046971 /nfs/dbraw/zinc/04/69/71/681046971.db2.gz PKYCOYKMPJMCTQ-UHFFFAOYSA-N -1 1 356.363 2.291 20 5 FEBDMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000776555748 681404968 /nfs/dbraw/zinc/40/49/68/681404968.db2.gz TVNAAUIEWVODCR-LLVKDONJSA-N -1 1 374.390 2.293 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cnc1Cl ZINC000776561502 681405495 /nfs/dbraw/zinc/40/54/95/681405495.db2.gz MIIYJKCCNNVCMU-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM O=C([N-]CCOCC(F)(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580280 681581799 /nfs/dbraw/zinc/58/17/99/681581799.db2.gz LOUZMWNZQVLOHD-UHFFFAOYSA-N -1 1 358.219 2.262 20 5 FEBDMM CCOC(=O)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780073640 681789768 /nfs/dbraw/zinc/78/97/68/681789768.db2.gz CIQCJMSVDQEWAM-UHFFFAOYSA-N -1 1 352.324 2.291 20 5 FEBDMM Cc1ccn2cc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc2c1 ZINC000918195854 685537913 /nfs/dbraw/zinc/53/79/13/685537913.db2.gz FXGGKGJVQGIOFO-UHFFFAOYSA-N -1 1 364.358 2.169 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859340829 683087466 /nfs/dbraw/zinc/08/74/66/683087466.db2.gz IVQLUKZBUOSVCX-ZYPMPIKKSA-N -1 1 366.798 2.478 20 5 FEBDMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921497579 683485604 /nfs/dbraw/zinc/48/56/04/683485604.db2.gz PYAYMSZUXGLUNG-RCOVLWMOSA-N -1 1 355.199 2.215 20 5 FEBDMM O=C([N-]CC1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1)C(F)(F)F ZINC000866294329 684089700 /nfs/dbraw/zinc/08/97/00/684089700.db2.gz OAQNKSVTZFAEQU-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM COC[C@]1(C(=O)[O-])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000873643333 685181422 /nfs/dbraw/zinc/18/14/22/685181422.db2.gz HLQDOSPOGYHUPH-AWEZNQCLSA-N -1 1 373.203 2.280 20 5 FEBDMM CCNc1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000003539418 539369839 /nfs/dbraw/zinc/36/98/39/539369839.db2.gz YWSKDIQSZBWZPS-JTQLQIEISA-N -1 1 356.791 2.184 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1 ZINC000064808097 541218360 /nfs/dbraw/zinc/21/83/60/541218360.db2.gz VAGAZMTZEGDAFM-UHFFFAOYSA-N -1 1 353.338 2.496 20 5 FEBDMM CCn1c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n[n-]c1=S ZINC000066636707 541351511 /nfs/dbraw/zinc/35/15/11/541351511.db2.gz KKWHEHFRBNMPTH-UHFFFAOYSA-N -1 1 366.359 2.015 20 5 FEBDMM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000068460644 541595335 /nfs/dbraw/zinc/59/53/35/541595335.db2.gz RCAGACRJGSZUIZ-HNNXBMFYSA-N -1 1 373.394 2.089 20 5 FEBDMM CCOC(=O)C(=C([O-])Cn1nc(C)c([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC000115644634 543579228 /nfs/dbraw/zinc/57/92/28/543579228.db2.gz JOCVRPMJMGYPEX-LBPRGKRZSA-N -1 1 366.399 2.089 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000185748591 327931247 /nfs/dbraw/zinc/93/12/47/327931247.db2.gz OTFUHQVPHWEDQW-CQSZACIVSA-N -1 1 357.366 2.374 20 5 FEBDMM CN(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000187097159 328001908 /nfs/dbraw/zinc/00/19/08/328001908.db2.gz YVTDXJQOPAEWAY-CYBMUJFWSA-N -1 1 366.324 2.006 20 5 FEBDMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187171849 328006796 /nfs/dbraw/zinc/00/67/96/328006796.db2.gz GJEIXVPWIJXULZ-GFCCVEGCSA-N -1 1 362.773 2.358 20 5 FEBDMM CN(Cc1cc(Br)cn1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187185871 328007698 /nfs/dbraw/zinc/00/76/98/328007698.db2.gz GTFGNWGMGVBVKY-UHFFFAOYSA-N -1 1 369.175 2.069 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000193452802 328376152 /nfs/dbraw/zinc/37/61/52/328376152.db2.gz IYDDNYCWZUFWGS-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193666299 328388606 /nfs/dbraw/zinc/38/86/06/328388606.db2.gz YQKMWDWKNHRAKA-REFGNXHDSA-N -1 1 363.395 2.266 20 5 FEBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000007909005 324359426 /nfs/dbraw/zinc/35/94/26/324359426.db2.gz CSGVHGRHSFEODA-UHFFFAOYSA-N -1 1 357.338 2.263 20 5 FEBDMM O=C(NCCc1ccc(Br)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000014418846 324378601 /nfs/dbraw/zinc/37/86/01/324378601.db2.gz CKTHQKMPULQGLW-UHFFFAOYSA-N -1 1 372.200 2.492 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000230627305 328487123 /nfs/dbraw/zinc/48/71/23/328487123.db2.gz KAQNANISQOUWLB-QMMMGPOBSA-N -1 1 367.246 2.141 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000080790356 325144382 /nfs/dbraw/zinc/14/43/82/325144382.db2.gz YTPFCJWJSGSHBA-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000097271750 325460613 /nfs/dbraw/zinc/46/06/13/325460613.db2.gz MFGOBGXYZSJNAX-HIFRSBDPSA-N -1 1 368.798 2.185 20 5 FEBDMM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1=N ZINC000118838572 326106603 /nfs/dbraw/zinc/10/66/03/326106603.db2.gz FFTKPBKQCZXKCT-UHFFFAOYSA-N -1 1 373.413 2.218 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000119435514 326162159 /nfs/dbraw/zinc/16/21/59/326162159.db2.gz KEJIHIZJWCBROV-GOSISDBHSA-N -1 1 355.350 2.010 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173543869 327265417 /nfs/dbraw/zinc/26/54/17/327265417.db2.gz XAFLOZATASWXBC-OLZOCXBDSA-N -1 1 368.390 2.393 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1[N+](=O)[O-] ZINC000275760312 330085733 /nfs/dbraw/zinc/08/57/33/330085733.db2.gz ZPLFZFMDIJGRII-UHFFFAOYSA-N -1 1 364.379 2.482 20 5 FEBDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000477421014 561144532 /nfs/dbraw/zinc/14/45/32/561144532.db2.gz DZTGDQYNOCKDFX-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000185776329 548033889 /nfs/dbraw/zinc/03/38/89/548033889.db2.gz KYHNUVHALWMOAR-NSHDSACASA-N -1 1 353.338 2.372 20 5 FEBDMM CN(c1ccccc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185817309 548039610 /nfs/dbraw/zinc/03/96/10/548039610.db2.gz PVHAEXWNVRFXAM-UHFFFAOYSA-N -1 1 356.382 2.436 20 5 FEBDMM O=C(NCCSCc1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186789561 548193500 /nfs/dbraw/zinc/19/35/00/548193500.db2.gz UAIIDZHJEKRHSK-UHFFFAOYSA-N -1 1 351.359 2.498 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000268774556 550114712 /nfs/dbraw/zinc/11/47/12/550114712.db2.gz GKHYUEUIFWTMTG-JTQLQIEISA-N -1 1 356.791 2.327 20 5 FEBDMM Cc1cc(F)c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000282305926 551209264 /nfs/dbraw/zinc/20/92/64/551209264.db2.gz MQEDQPCWLQDMFG-SNVBAGLBSA-N -1 1 370.362 2.001 20 5 FEBDMM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000290422105 552476625 /nfs/dbraw/zinc/47/66/25/552476625.db2.gz RURJVDTZHODGQM-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)C[C@@H](C)O1 ZINC000299110620 553516947 /nfs/dbraw/zinc/51/69/47/553516947.db2.gz DZIMIZQHUQCVFK-NXEZZACHSA-N -1 1 365.415 2.241 20 5 FEBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000328181947 553793526 /nfs/dbraw/zinc/79/35/26/553793526.db2.gz WUPZMQMORNBPCN-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365641791 555629384 /nfs/dbraw/zinc/62/93/84/555629384.db2.gz VJHSQNKMIHIDGC-UHFFFAOYSA-N -1 1 357.301 2.155 20 5 FEBDMM COc1cccc(COCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000513847185 561952226 /nfs/dbraw/zinc/95/22/26/561952226.db2.gz FXTGFBVERIZJSO-UHFFFAOYSA-N -1 1 372.424 2.160 20 5 FEBDMM CCCC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000515429526 562010263 /nfs/dbraw/zinc/01/02/63/562010263.db2.gz YOEDHDULWKSBNC-UHFFFAOYSA-N -1 1 358.354 2.364 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000371932829 557332444 /nfs/dbraw/zinc/33/24/44/557332444.db2.gz QTTWQAKDJCHMKD-LBPRGKRZSA-N -1 1 352.343 2.287 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Sc2ccccn2)CC1 ZINC000375723095 558073184 /nfs/dbraw/zinc/07/31/84/558073184.db2.gz COXUCZGKKSPJRS-UHFFFAOYSA-N -1 1 360.395 2.487 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)cc1Cl ZINC000377888407 558442265 /nfs/dbraw/zinc/44/22/65/558442265.db2.gz JKWKUSMEHDIPBU-HNBZJPLGSA-N -1 1 364.782 2.233 20 5 FEBDMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000378253647 558512784 /nfs/dbraw/zinc/51/27/84/558512784.db2.gz REYIGKCOSQQAJI-LLVKDONJSA-N -1 1 368.390 2.095 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000410415862 558756345 /nfs/dbraw/zinc/75/63/45/558756345.db2.gz FHBFCBHJUGSGRM-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174216 562241862 /nfs/dbraw/zinc/24/18/62/562241862.db2.gz PRHIEEXBIFQTNB-UHFFFAOYSA-N -1 1 365.411 2.471 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccnc1 ZINC000525687653 562252123 /nfs/dbraw/zinc/25/21/23/562252123.db2.gz LMQPMNUEYNXAJC-INIZCTEOSA-N -1 1 370.390 2.453 20 5 FEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414451242 559164708 /nfs/dbraw/zinc/16/47/08/559164708.db2.gz JCKRJGYHZJJRTF-UHFFFAOYSA-N -1 1 365.293 2.095 20 5 FEBDMM C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416568360 559322302 /nfs/dbraw/zinc/32/23/02/559322302.db2.gz WXYBAVPKVZBBKV-LLVKDONJSA-N -1 1 361.851 2.258 20 5 FEBDMM Cc1noc(C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000430415482 559819786 /nfs/dbraw/zinc/81/97/86/559819786.db2.gz FSZJCPSVRQVTCL-ZDUSSCGKSA-N -1 1 369.337 2.101 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000435796861 559930221 /nfs/dbraw/zinc/93/02/21/559930221.db2.gz CKNOQBWWABUKML-CYBMUJFWSA-N -1 1 364.427 2.210 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000445719691 560134231 /nfs/dbraw/zinc/13/42/31/560134231.db2.gz AIVAUYGLEDHJQW-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(C(=O)[O-])c1C ZINC000471121421 560998683 /nfs/dbraw/zinc/99/86/83/560998683.db2.gz QRWDQEHKWZNFLO-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000474181453 561067681 /nfs/dbraw/zinc/06/76/81/561067681.db2.gz HTELSAWNIWRQLD-LBPRGKRZSA-N -1 1 370.383 2.171 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1O ZINC000475796394 561105621 /nfs/dbraw/zinc/10/56/21/561105621.db2.gz ZFQMZTIUQPSSGK-UHFFFAOYSA-N -1 1 369.330 2.199 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])n1 ZINC000532855409 562490763 /nfs/dbraw/zinc/49/07/63/562490763.db2.gz SFSCBNRZUMLHNE-JTQLQIEISA-N -1 1 356.404 2.012 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])n1 ZINC000533179084 562500586 /nfs/dbraw/zinc/50/05/86/562500586.db2.gz UPNCKKCAWTWKTA-MWLCHTKSSA-N -1 1 354.388 2.006 20 5 FEBDMM O=[N+]([O-])c1ccc(OCCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000738366726 598594213 /nfs/dbraw/zinc/59/42/13/598594213.db2.gz IQYMBZWEEGVHEJ-UHFFFAOYSA-N -1 1 367.778 2.376 20 5 FEBDMM O=[N+]([O-])c1ccc(OCCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000738366726 598594215 /nfs/dbraw/zinc/59/42/15/598594215.db2.gz IQYMBZWEEGVHEJ-UHFFFAOYSA-N -1 1 367.778 2.376 20 5 FEBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)C3)c2)C1 ZINC000820728644 599512852 /nfs/dbraw/zinc/51/28/52/599512852.db2.gz XQAHCDJBVXUAGE-RYUDHWBXSA-N -1 1 357.418 2.467 20 5 FEBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@H](C)C3)c2)C1 ZINC000820728644 599512853 /nfs/dbraw/zinc/51/28/53/599512853.db2.gz XQAHCDJBVXUAGE-RYUDHWBXSA-N -1 1 357.418 2.467 20 5 FEBDMM O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740001752 600303712 /nfs/dbraw/zinc/30/37/12/600303712.db2.gz PAUWXNHDCFHXQM-UHFFFAOYSA-N -1 1 351.340 2.163 20 5 FEBDMM CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000824005512 607451098 /nfs/dbraw/zinc/45/10/98/607451098.db2.gz VTNRQOAFCXFYBV-UHFFFAOYSA-N -1 1 353.342 2.345 20 5 FEBDMM CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000824005512 607451100 /nfs/dbraw/zinc/45/11/00/607451100.db2.gz VTNRQOAFCXFYBV-UHFFFAOYSA-N -1 1 353.342 2.345 20 5 FEBDMM Cc1[nH]nc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000832847241 601092140 /nfs/dbraw/zinc/09/21/40/601092140.db2.gz FYNWJRAGJIWZFY-RYUDHWBXSA-N -1 1 350.375 2.122 20 5 FEBDMM CC(C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830395572 677037242 /nfs/dbraw/zinc/03/72/42/677037242.db2.gz RGYSBYZMVBLMKI-UHFFFAOYSA-N -1 1 371.198 2.132 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c1Cl ZINC000830664533 677053274 /nfs/dbraw/zinc/05/32/74/677053274.db2.gz RTBFKVAXMWJDLF-VIFPVBQESA-N -1 1 369.226 2.341 20 5 FEBDMM Cc1c(NC(=O)CCN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000740050751 602831210 /nfs/dbraw/zinc/83/12/10/602831210.db2.gz TWWLXYQEEMPLJC-VXGBXAGGSA-N -1 1 364.402 2.304 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC000823620320 606709104 /nfs/dbraw/zinc/70/91/04/606709104.db2.gz KJCGVOAHSZOICG-NSHDSACASA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC000823620320 606709106 /nfs/dbraw/zinc/70/91/06/606709106.db2.gz KJCGVOAHSZOICG-NSHDSACASA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC000823620491 606710987 /nfs/dbraw/zinc/71/09/87/606710987.db2.gz LSKALWUSDTYULP-ZDUSSCGKSA-N -1 1 367.369 2.218 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC000823620491 606710989 /nfs/dbraw/zinc/71/09/89/606710989.db2.gz LSKALWUSDTYULP-ZDUSSCGKSA-N -1 1 367.369 2.218 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000823625008 606712937 /nfs/dbraw/zinc/71/29/37/606712937.db2.gz NUURQIQGTLCNAF-LBPRGKRZSA-N -1 1 369.341 2.081 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000823625008 606712939 /nfs/dbraw/zinc/71/29/39/606712939.db2.gz NUURQIQGTLCNAF-LBPRGKRZSA-N -1 1 369.341 2.081 20 5 FEBDMM COc1ccccc1O[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821903694 606714135 /nfs/dbraw/zinc/71/41/35/606714135.db2.gz LDHBOZFYZGXRIS-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM COc1ccccc1O[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821903694 606714137 /nfs/dbraw/zinc/71/41/37/606714137.db2.gz LDHBOZFYZGXRIS-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826451257 608108057 /nfs/dbraw/zinc/10/80/57/608108057.db2.gz XTQNBJIPQCRQJL-UHFFFAOYSA-N -1 1 365.309 2.214 20 5 FEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000563206769 674858267 /nfs/dbraw/zinc/85/82/67/674858267.db2.gz NLSFBFIOBNOSOO-LBPRGKRZSA-N -1 1 350.400 2.773 20 5 FEBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016959 674897050 /nfs/dbraw/zinc/89/70/50/674897050.db2.gz SGUQUHNEQYOQMT-MRVPVSSYSA-N -1 1 354.787 2.073 20 5 FEBDMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000565333624 675112284 /nfs/dbraw/zinc/11/22/84/675112284.db2.gz UVVXTJDNXYQXOU-LLVKDONJSA-N -1 1 354.409 2.247 20 5 FEBDMM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000565333625 675112350 /nfs/dbraw/zinc/11/23/50/675112350.db2.gz UVVXTJDNXYQXOU-NSHDSACASA-N -1 1 354.409 2.247 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000608858308 675905960 /nfs/dbraw/zinc/90/59/60/675905960.db2.gz QCQFTAYVCLEEKV-UHFFFAOYSA-N -1 1 372.349 2.403 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(F)c1 ZINC000608909019 675906887 /nfs/dbraw/zinc/90/68/87/675906887.db2.gz LNWRQIWZYZERND-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccc(F)cc1 ZINC000119340525 671897211 /nfs/dbraw/zinc/89/72/11/671897211.db2.gz XLDWQGWYOQEFEW-OQPBUACISA-N -1 1 360.388 2.196 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccc(F)cc1 ZINC000119340747 671897414 /nfs/dbraw/zinc/89/74/14/671897414.db2.gz XLDWQGWYOQEFEW-AMIZOPFISA-N -1 1 360.388 2.196 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1Cl ZINC000120901868 671937787 /nfs/dbraw/zinc/93/77/87/671937787.db2.gz DGYJOYUEPUGTHO-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610260272 675961881 /nfs/dbraw/zinc/96/18/81/675961881.db2.gz JIJXMSIQHQJKLW-LLVKDONJSA-N -1 1 351.384 2.428 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000610263907 675962494 /nfs/dbraw/zinc/96/24/94/675962494.db2.gz XPDKQDDOLDEUKR-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000159420418 672282079 /nfs/dbraw/zinc/28/20/79/672282079.db2.gz JTSBGYWNCUVCEJ-CYBMUJFWSA-N -1 1 354.359 2.054 20 5 FEBDMM C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000590899715 672630560 /nfs/dbraw/zinc/63/05/60/672630560.db2.gz FRIQEZMJUXHIJY-PHDIDXHHSA-N -1 1 371.198 2.289 20 5 FEBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000195234122 672779967 /nfs/dbraw/zinc/77/99/67/672779967.db2.gz OKWORBKIIBFSPT-UHFFFAOYSA-N -1 1 355.303 2.121 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CCOCC1 ZINC000592350577 672790195 /nfs/dbraw/zinc/79/01/95/672790195.db2.gz UMFYUIJULBOGAW-INIZCTEOSA-N -1 1 372.443 2.395 20 5 FEBDMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593768723 672989515 /nfs/dbraw/zinc/98/95/15/672989515.db2.gz DQSXPMCGVVYYEA-MWLCHTKSSA-N -1 1 351.359 2.030 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCOC1 ZINC000594696455 673118173 /nfs/dbraw/zinc/11/81/73/673118173.db2.gz OHWAJWHFPRAXJE-DOMZBBRYSA-N -1 1 358.416 2.005 20 5 FEBDMM CC1CCC(O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000595410367 673245816 /nfs/dbraw/zinc/24/58/16/673245816.db2.gz KKSYWXFXUMLSJM-UHFFFAOYSA-N -1 1 362.835 2.468 20 5 FEBDMM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000462701401 673276739 /nfs/dbraw/zinc/27/67/39/673276739.db2.gz HWRFUPKVSYXMDC-SNVBAGLBSA-N -1 1 372.424 2.411 20 5 FEBDMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000613476782 676130640 /nfs/dbraw/zinc/13/06/40/676130640.db2.gz JXAAEEKCNLFUTB-UHFFFAOYSA-N -1 1 374.396 2.213 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000538662279 673450108 /nfs/dbraw/zinc/45/01/08/673450108.db2.gz PZYUFCDHYMIYOK-YFKPBYRVSA-N -1 1 366.186 2.059 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)nc1 ZINC000599500868 673684942 /nfs/dbraw/zinc/68/49/42/673684942.db2.gz CFMLQKBTLXCSLI-UHFFFAOYSA-N -1 1 353.322 2.391 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000546174101 673795211 /nfs/dbraw/zinc/79/52/11/673795211.db2.gz DQFWSGBSZRYBFN-UHFFFAOYSA-N -1 1 354.306 2.367 20 5 FEBDMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000745942407 673857944 /nfs/dbraw/zinc/85/79/44/673857944.db2.gz ITSBSKRMSVXRBT-UHFFFAOYSA-N -1 1 362.379 2.134 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000567294090 675281957 /nfs/dbraw/zinc/28/19/57/675281957.db2.gz UYZBLSSRBNGYSM-KWQFWETISA-N -1 1 355.322 2.102 20 5 FEBDMM CSc1nsc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000762816694 680762321 /nfs/dbraw/zinc/76/23/21/680762321.db2.gz UDGKNEBNCKHKRR-UHFFFAOYSA-N -1 1 354.398 2.425 20 5 FEBDMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832024647 680077761 /nfs/dbraw/zinc/07/77/61/680077761.db2.gz DPWZITJCORAYQC-SSDOTTSWSA-N -1 1 354.787 2.215 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])n1 ZINC000832364198 680127021 /nfs/dbraw/zinc/12/70/21/680127021.db2.gz DWPTXVBYTHEHEM-SNVBAGLBSA-N -1 1 371.246 2.064 20 5 FEBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000751445776 680176701 /nfs/dbraw/zinc/17/67/01/680176701.db2.gz IUPMLXGSLQFGBF-LLVKDONJSA-N -1 1 360.775 2.162 20 5 FEBDMM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751468686 680179906 /nfs/dbraw/zinc/17/99/06/680179906.db2.gz QDINJZYZFDTETN-ZDUSSCGKSA-N -1 1 354.359 2.054 20 5 FEBDMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000760365704 680684561 /nfs/dbraw/zinc/68/45/61/680684561.db2.gz OJFTXDBCJKCIRH-UHFFFAOYSA-N -1 1 366.330 2.489 20 5 FEBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841553654 680896519 /nfs/dbraw/zinc/89/65/19/680896519.db2.gz FKCSURDHKOVMLW-QMMMGPOBSA-N -1 1 354.787 2.338 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])n1 ZINC000846023339 681174805 /nfs/dbraw/zinc/17/48/05/681174805.db2.gz SJAZRCCLZDMCKF-QMMMGPOBSA-N -1 1 371.246 2.064 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000776445515 681392994 /nfs/dbraw/zinc/39/29/94/681392994.db2.gz YMWQCBIOCWLVLY-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000777598262 681509023 /nfs/dbraw/zinc/50/90/23/681509023.db2.gz IJSXTIQTQDXGPG-UHFFFAOYSA-N -1 1 366.355 2.156 20 5 FEBDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000851792281 682136710 /nfs/dbraw/zinc/13/67/10/682136710.db2.gz KDORUXAAXJUIQX-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM Cc1nc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000788495514 682534139 /nfs/dbraw/zinc/53/41/39/682534139.db2.gz NUDFLNSTJGHXFO-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cnc1C ZINC000794026271 682928678 /nfs/dbraw/zinc/92/86/78/682928678.db2.gz LDLNUAQCGVEZAS-UHFFFAOYSA-N -1 1 369.330 2.025 20 5 FEBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228910 683325648 /nfs/dbraw/zinc/32/56/48/683325648.db2.gz RRCGMMXVZYSNSF-MRVPVSSYSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000798473340 683354997 /nfs/dbraw/zinc/35/49/97/683354997.db2.gz IABLLTNHWFORBB-LBPRGKRZSA-N -1 1 360.407 2.201 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000920935805 683380788 /nfs/dbraw/zinc/38/07/88/683380788.db2.gz DFTDLEFWESOCES-RQJHMYQMSA-N -1 1 360.335 2.045 20 5 FEBDMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000907723528 691546315 /nfs/dbraw/zinc/54/63/15/691546315.db2.gz JTMRPLXPQCVIQS-FDMSEYEVSA-N -1 1 360.819 2.484 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028727 691881962 /nfs/dbraw/zinc/88/19/62/691881962.db2.gz VJFPISNFOIBMBE-NWDGAFQWSA-N -1 1 360.288 2.310 20 5 FEBDMM O=C(NCc1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028677455 539835360 /nfs/dbraw/zinc/83/53/60/539835360.db2.gz JHCGNRRJICULDC-UHFFFAOYSA-N -1 1 357.244 2.112 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)s1 ZINC000066000480 541277740 /nfs/dbraw/zinc/27/77/40/541277740.db2.gz QJESNLUGXYIJKQ-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)s1 ZINC000066333895 541303092 /nfs/dbraw/zinc/30/30/92/541303092.db2.gz OUBCWVXJOLWYBR-GFCCVEGCSA-N -1 1 367.452 2.461 20 5 FEBDMM CC(C)n1c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[n-]c1=S ZINC000066639057 541352624 /nfs/dbraw/zinc/35/26/24/541352624.db2.gz MCYCJXMZCUFKDJ-UHFFFAOYSA-N -1 1 354.367 2.081 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2)CC1 ZINC000130443726 544151282 /nfs/dbraw/zinc/15/12/82/544151282.db2.gz YLXBQGSCMNEEOI-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000193717697 328391394 /nfs/dbraw/zinc/39/13/94/328391394.db2.gz YHAKFURXIIRACC-VIFPVBQESA-N -1 1 355.310 2.236 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193782026 328395168 /nfs/dbraw/zinc/39/51/68/328395168.db2.gz TXTSSXKPGYQPNY-UHFFFAOYSA-N -1 1 358.310 2.408 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1C ZINC000029834959 324452296 /nfs/dbraw/zinc/45/22/96/324452296.db2.gz KGGCZUPTFFROQS-UHFFFAOYSA-N -1 1 363.351 2.447 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000159917471 326946721 /nfs/dbraw/zinc/94/67/21/326946721.db2.gz WCTNPZSVAYJRES-JTQLQIEISA-N -1 1 357.413 2.490 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000162638724 327030726 /nfs/dbraw/zinc/03/07/26/327030726.db2.gz JIKATVLTWXTWRE-AAEUAGOBSA-N -1 1 360.819 2.484 20 5 FEBDMM COc1cc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000275181532 330019368 /nfs/dbraw/zinc/01/93/68/330019368.db2.gz XZYFGLWFOZCNNC-UHFFFAOYSA-N -1 1 359.338 2.214 20 5 FEBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000479174470 561183467 /nfs/dbraw/zinc/18/34/67/561183467.db2.gz XNKIWLGCOOFRTB-JTQLQIEISA-N -1 1 368.367 2.404 20 5 FEBDMM Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000480438097 561209283 /nfs/dbraw/zinc/20/92/83/561209283.db2.gz AUEGPKOAZZHCPZ-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM Cc1nn(C)c(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000179653782 546993027 /nfs/dbraw/zinc/99/30/27/546993027.db2.gz XPSZGRYAZASTDP-UHFFFAOYSA-N -1 1 355.148 2.357 20 5 FEBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1Oc1ccccc1 ZINC000483950106 561287647 /nfs/dbraw/zinc/28/76/47/561287647.db2.gz CKTUDDUDRLZUAQ-OAGGEKHMSA-N -1 1 373.365 2.050 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)c1ccco1 ZINC000184281342 547799644 /nfs/dbraw/zinc/79/96/44/547799644.db2.gz CANJXTYIDCUZHO-SNVBAGLBSA-N -1 1 360.775 2.243 20 5 FEBDMM CO[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185758027 548031127 /nfs/dbraw/zinc/03/11/27/548031127.db2.gz HCCMLIWCQQIOFE-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000486193487 561340657 /nfs/dbraw/zinc/34/06/57/561340657.db2.gz KYKYSWVJRBGWGR-NHYWBVRUSA-N -1 1 361.329 2.342 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000193984986 548417628 /nfs/dbraw/zinc/41/76/28/548417628.db2.gz ZISYMAUWJJOHJN-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM COC(=O)CCSc1ncccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000487010492 561361347 /nfs/dbraw/zinc/36/13/47/561361347.db2.gz MOHYLIRUMMEDSC-UHFFFAOYSA-N -1 1 350.356 2.225 20 5 FEBDMM C[C@@H](CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)CO)c1ccccc1 ZINC000489486138 561412634 /nfs/dbraw/zinc/41/26/34/561412634.db2.gz WAQHVFSNNHQHST-STQMWFEESA-N -1 1 359.382 2.322 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000493128893 561454683 /nfs/dbraw/zinc/45/46/83/561454683.db2.gz DKMJHGZKWDCSDR-UHFFFAOYSA-N -1 1 350.400 2.473 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000273647588 550506814 /nfs/dbraw/zinc/50/68/14/550506814.db2.gz VYMAGEAINWSTQQ-VIFPVBQESA-N -1 1 356.429 2.411 20 5 FEBDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274916326 550564918 /nfs/dbraw/zinc/56/49/18/550564918.db2.gz WCTKSTSJMVYUSN-LLVKDONJSA-N -1 1 372.381 2.154 20 5 FEBDMM COCCCOc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000278141184 550753642 /nfs/dbraw/zinc/75/36/42/550753642.db2.gz VXRBPCXYMLHMCF-UHFFFAOYSA-N -1 1 361.354 2.041 20 5 FEBDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000497961399 561512562 /nfs/dbraw/zinc/51/25/62/561512562.db2.gz VDRXXFMKWNVHEJ-UHFFFAOYSA-N -1 1 363.395 2.340 20 5 FEBDMM Cc1noc2ncc(NS(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)cc12 ZINC000499262124 561547107 /nfs/dbraw/zinc/54/71/07/561547107.db2.gz AIGHWCJPCNCQAT-UHFFFAOYSA-N -1 1 364.339 2.254 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCOCC2)cc1Cl ZINC000290807919 552541802 /nfs/dbraw/zinc/54/18/02/552541802.db2.gz RYNJLUSHBTVPQM-QMMMGPOBSA-N -1 1 352.771 2.235 20 5 FEBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000326861903 553784051 /nfs/dbraw/zinc/78/40/51/553784051.db2.gz UNXIEOULGYJXHR-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000327506470 553789549 /nfs/dbraw/zinc/78/95/49/553789549.db2.gz OJEKBXXYOSVVLC-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000327826711 553791641 /nfs/dbraw/zinc/79/16/41/553791641.db2.gz HYIWYZRZQIPYKF-UHFFFAOYSA-N -1 1 366.351 2.362 20 5 FEBDMM CC[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CCC(=O)NC1=O ZINC000509367510 561796523 /nfs/dbraw/zinc/79/65/23/561796523.db2.gz UGZZJLGSQFZGAO-GOSISDBHSA-N -1 1 370.365 2.260 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(F)cccc2SC)c([N+](=O)[O-])n1 ZINC000509575150 561805681 /nfs/dbraw/zinc/80/56/81/561805681.db2.gz ZQASBJZSEJHXCN-UHFFFAOYSA-N -1 1 374.419 2.151 20 5 FEBDMM NC(=O)c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000364946010 555446687 /nfs/dbraw/zinc/44/66/87/555446687.db2.gz GFNVMQZCRHLHAC-UHFFFAOYSA-N -1 1 369.377 2.499 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367556391 556082024 /nfs/dbraw/zinc/08/20/24/556082024.db2.gz YAAMSRRIMVKBFA-SUMWQHHRSA-N -1 1 370.409 2.336 20 5 FEBDMM Cc1csc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000370444590 556875406 /nfs/dbraw/zinc/87/54/06/556875406.db2.gz MNZOIYLZPYXHCX-UHFFFAOYSA-N -1 1 363.399 2.177 20 5 FEBDMM COC(=O)c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c[nH]1 ZINC000518708813 562116882 /nfs/dbraw/zinc/11/68/82/562116882.db2.gz ABYAYWLTUWEFMD-UHFFFAOYSA-N -1 1 361.339 2.413 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000372322919 557439685 /nfs/dbraw/zinc/43/96/85/557439685.db2.gz ABZMSDNMAHFNJZ-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521249214 562172961 /nfs/dbraw/zinc/17/29/61/562172961.db2.gz QEWLJQQQIILBNO-UHFFFAOYSA-N -1 1 367.321 2.216 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(c2ccccc2F)CC1 ZINC000377109368 558268213 /nfs/dbraw/zinc/26/82/13/558268213.db2.gz BTQZKXUHVZXBJI-UHFFFAOYSA-N -1 1 360.345 2.187 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377977266 558456614 /nfs/dbraw/zinc/45/66/14/558456614.db2.gz VERBCLZZTBZYBZ-GOSISDBHSA-N -1 1 355.350 2.305 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CC1)OCCc1ccccc12 ZINC000412427184 559034717 /nfs/dbraw/zinc/03/47/17/559034717.db2.gz OTDIOCUTZDRKJK-UHFFFAOYSA-N -1 1 369.377 2.400 20 5 FEBDMM CC(C)Oc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1[N+](=O)[O-] ZINC000413468254 559109980 /nfs/dbraw/zinc/10/99/80/559109980.db2.gz GTMBNXNOBCLZJB-UHFFFAOYSA-N -1 1 360.374 2.094 20 5 FEBDMM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCOC2 ZINC000416100024 559292035 /nfs/dbraw/zinc/29/20/35/559292035.db2.gz UPEBVZHLTAMRST-UHFFFAOYSA-N -1 1 352.324 2.361 20 5 FEBDMM CCO[C@H]1C[C@](N)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000423751472 559638325 /nfs/dbraw/zinc/63/83/25/559638325.db2.gz YSXUSRYOWGSAMH-NHYWBVRUSA-N -1 1 357.794 2.425 20 5 FEBDMM NC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000431158822 559835221 /nfs/dbraw/zinc/83/52/21/559835221.db2.gz DVERJDIRVIAAPD-UHFFFAOYSA-N -1 1 354.319 2.025 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436159027 559936408 /nfs/dbraw/zinc/93/64/08/559936408.db2.gz XWHMDKHNEPVZLA-UHFFFAOYSA-N -1 1 364.379 2.482 20 5 FEBDMM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442322726 560049188 /nfs/dbraw/zinc/04/91/88/560049188.db2.gz MTHJHQZMDUUHIT-UHFFFAOYSA-N -1 1 363.395 2.159 20 5 FEBDMM NC(=O)[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1cccc(Br)c1 ZINC000443507378 560085810 /nfs/dbraw/zinc/08/58/10/560085810.db2.gz GLDAVYVVAXQNTD-VIFPVBQESA-N -1 1 357.189 2.452 20 5 FEBDMM O=C(Cc1noc(-c2ccc([O-])cc2F)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445704626 560133984 /nfs/dbraw/zinc/13/39/84/560133984.db2.gz KSRWACWMKALFNG-UHFFFAOYSA-N -1 1 372.312 2.348 20 5 FEBDMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451657522 560320099 /nfs/dbraw/zinc/32/00/99/560320099.db2.gz WKSOSXYFAMNHOV-ZETCQYMHSA-N -1 1 362.351 2.292 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000451946470 560339902 /nfs/dbraw/zinc/33/99/02/560339902.db2.gz LQRJVJUEVQEFGE-UHFFFAOYSA-N -1 1 368.390 2.004 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000472686020 561032930 /nfs/dbraw/zinc/03/29/30/561032930.db2.gz MZTVUUSDWXCREJ-JTQLQIEISA-N -1 1 362.816 2.322 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000530917258 562428522 /nfs/dbraw/zinc/42/85/22/562428522.db2.gz OIDLDGZTOWFAHP-KGLIPLIRSA-N -1 1 369.443 2.396 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1C ZINC000531444369 562446312 /nfs/dbraw/zinc/44/63/12/562446312.db2.gz CFWXFMYOGHMQSM-CYBMUJFWSA-N -1 1 365.411 2.434 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533557016 562513097 /nfs/dbraw/zinc/51/30/97/562513097.db2.gz QLEJMRGXCMAYAT-HNNXBMFYSA-N -1 1 370.427 2.136 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000533634921 562514957 /nfs/dbraw/zinc/51/49/57/562514957.db2.gz YDMBPLYIWTWFLK-UHFFFAOYSA-N -1 1 364.383 2.078 20 5 FEBDMM O=c1c(-c2nn[n-]n2)cn(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc12 ZINC000738372462 599159857 /nfs/dbraw/zinc/15/98/57/599159857.db2.gz QOVMCEZLAMMSDE-UHFFFAOYSA-N -1 1 366.312 2.277 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccn(C2CCCC2)n1 ZINC000823624782 607307562 /nfs/dbraw/zinc/30/75/62/607307562.db2.gz JGTMEDDOSZYZLW-UHFFFAOYSA-N -1 1 355.362 2.094 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccn(C2CCCC2)n1 ZINC000823624782 607307563 /nfs/dbraw/zinc/30/75/63/607307563.db2.gz JGTMEDDOSZYZLW-UHFFFAOYSA-N -1 1 355.362 2.094 20 5 FEBDMM COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000561734847 599760281 /nfs/dbraw/zinc/76/02/81/599760281.db2.gz YGXWGGCLIHRJPA-AWEZNQCLSA-N -1 1 370.321 2.035 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000543662897 602307737 /nfs/dbraw/zinc/30/77/37/602307737.db2.gz MXTZMNAAQAMCRZ-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827108 674513603 /nfs/dbraw/zinc/51/36/03/674513603.db2.gz BYOIBUYQBABOSY-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)CNC(=O)[O-] ZINC000823722534 603630566 /nfs/dbraw/zinc/63/05/66/603630566.db2.gz GBZYHIDRICEUQF-NSHDSACASA-N -1 1 352.391 2.147 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000827097511 604848134 /nfs/dbraw/zinc/84/81/34/604848134.db2.gz OUXVHDJJOLLAOP-VWYCJHECSA-N -1 1 350.375 2.299 20 5 FEBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440183 606380827 /nfs/dbraw/zinc/38/08/27/606380827.db2.gz GQXPECMXCBROTJ-UHFFFAOYSA-N -1 1 372.322 2.335 20 5 FEBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440183 606380828 /nfs/dbraw/zinc/38/08/28/606380828.db2.gz GQXPECMXCBROTJ-UHFFFAOYSA-N -1 1 372.322 2.335 20 5 FEBDMM CCOC(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821334628 606698247 /nfs/dbraw/zinc/69/82/47/606698247.db2.gz PKEZFNVWUKWFNT-UHFFFAOYSA-N -1 1 370.329 2.482 20 5 FEBDMM CCOC(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821334628 606698249 /nfs/dbraw/zinc/69/82/49/606698249.db2.gz PKEZFNVWUKWFNT-UHFFFAOYSA-N -1 1 370.329 2.482 20 5 FEBDMM Cc1ccc2c(c1C)OC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822280461 606706603 /nfs/dbraw/zinc/70/66/03/606706603.db2.gz OKMJFZWEKSGEQB-GFCCVEGCSA-N -1 1 353.342 2.332 20 5 FEBDMM Cc1ccc2c(c1C)OC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822280461 606706605 /nfs/dbraw/zinc/70/66/05/606706605.db2.gz OKMJFZWEKSGEQB-GFCCVEGCSA-N -1 1 353.342 2.332 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823619997 606711115 /nfs/dbraw/zinc/71/11/15/606711115.db2.gz FQULECBQDSMRAC-KCJUWKMLSA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823619997 606711116 /nfs/dbraw/zinc/71/11/16/606711116.db2.gz FQULECBQDSMRAC-KCJUWKMLSA-N -1 1 359.296 2.416 20 5 FEBDMM COc1ccccc1[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821889379 606712151 /nfs/dbraw/zinc/71/21/51/606712151.db2.gz AFFBQBDXTMZAAL-LLVKDONJSA-N -1 1 367.369 2.172 20 5 FEBDMM COc1ccccc1[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821889379 606712152 /nfs/dbraw/zinc/71/21/52/606712152.db2.gz AFFBQBDXTMZAAL-LLVKDONJSA-N -1 1 367.369 2.172 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000823620843 606712979 /nfs/dbraw/zinc/71/29/79/606712979.db2.gz QVFAJAWEHLGTQN-ZDUSSCGKSA-N -1 1 351.370 2.239 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000823620843 606712980 /nfs/dbraw/zinc/71/29/80/606712980.db2.gz QVFAJAWEHLGTQN-ZDUSSCGKSA-N -1 1 351.370 2.239 20 5 FEBDMM Cc1ccc(O[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822258863 606714303 /nfs/dbraw/zinc/71/43/03/606714303.db2.gz FTFIWEJELVBQCU-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1ccc(O[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822258863 606714304 /nfs/dbraw/zinc/71/43/04/606714304.db2.gz FTFIWEJELVBQCU-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000561563738 674680317 /nfs/dbraw/zinc/68/03/17/674680317.db2.gz REDSMLVBSULZBB-ZDUSSCGKSA-N -1 1 365.411 2.264 20 5 FEBDMM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000812515392 674681386 /nfs/dbraw/zinc/68/13/86/674681386.db2.gz CVDQETCBIWUVIQ-CYBMUJFWSA-N -1 1 366.798 2.481 20 5 FEBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000813767974 674778790 /nfs/dbraw/zinc/77/87/90/674778790.db2.gz CSQCSFDIFBAGQM-UHFFFAOYSA-N -1 1 362.379 2.134 20 5 FEBDMM C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814045654 674814232 /nfs/dbraw/zinc/81/42/32/674814232.db2.gz WVIURJZBXUFWCI-LBPRGKRZSA-N -1 1 364.379 2.309 20 5 FEBDMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000815008572 674895173 /nfs/dbraw/zinc/89/51/73/674895173.db2.gz HTAZNZSDLOXDMB-GFCCVEGCSA-N -1 1 368.770 2.007 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000815081876 674913860 /nfs/dbraw/zinc/91/38/60/674913860.db2.gz RLHQGAYHRFLCOA-NSHDSACASA-N -1 1 354.787 2.215 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000564645360 675047618 /nfs/dbraw/zinc/04/76/18/675047618.db2.gz DVSXPXWYMFHCJO-UHFFFAOYSA-N -1 1 364.358 2.131 20 5 FEBDMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2N1 ZINC000005403064 669951761 /nfs/dbraw/zinc/95/17/61/669951761.db2.gz SQVWNMPJVODYED-UHFFFAOYSA-N -1 1 351.315 2.029 20 5 FEBDMM O=C1OCCN1c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000041378494 670145217 /nfs/dbraw/zinc/14/52/17/670145217.db2.gz NNSGQPQMODSZKV-UHFFFAOYSA-N -1 1 363.351 2.352 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000610264966 675962749 /nfs/dbraw/zinc/96/27/49/675962749.db2.gz HABGNLUTDKLMMR-UHFFFAOYSA-N -1 1 365.198 2.412 20 5 FEBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000173388097 672350502 /nfs/dbraw/zinc/35/05/02/672350502.db2.gz ABMHETNTYVBCHC-QWHCGFSZSA-N -1 1 358.391 2.360 20 5 FEBDMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000611106590 676017942 /nfs/dbraw/zinc/01/79/42/676017942.db2.gz YCPBQLFRZGLQKN-STQMWFEESA-N -1 1 374.463 2.073 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)c([N+](=O)[O-])n1 ZINC000592066655 672745663 /nfs/dbraw/zinc/74/56/63/672745663.db2.gz FBSQEAQUZWEHLU-UHFFFAOYSA-N -1 1 370.818 2.432 20 5 FEBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000194333741 672756683 /nfs/dbraw/zinc/75/66/83/672756683.db2.gz XVHUSPIRVOLKIL-LLVKDONJSA-N -1 1 373.431 2.377 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000194337417 672756704 /nfs/dbraw/zinc/75/67/04/672756704.db2.gz HKQACFGUVSATEB-UHFFFAOYSA-N -1 1 354.359 2.481 20 5 FEBDMM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000194724841 672766679 /nfs/dbraw/zinc/76/66/79/672766679.db2.gz GCBMQTOFTRMJRP-UHFFFAOYSA-N -1 1 372.378 2.151 20 5 FEBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000592773082 672836512 /nfs/dbraw/zinc/83/65/12/672836512.db2.gz UYARFQOWVDHSIL-UHFFFAOYSA-N -1 1 351.750 2.092 20 5 FEBDMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000263330049 672931253 /nfs/dbraw/zinc/93/12/53/672931253.db2.gz LHVVADHPNWXESV-UWVGGRQHSA-N -1 1 355.778 2.229 20 5 FEBDMM C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945254 673014306 /nfs/dbraw/zinc/01/43/06/673014306.db2.gz PINDMTDRDXFQNN-KXUCPTDWSA-N -1 1 374.390 2.148 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000537593644 673396059 /nfs/dbraw/zinc/39/60/59/673396059.db2.gz GINWGYVVAJCHBB-XHDPSFHLSA-N -1 1 364.427 2.413 20 5 FEBDMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000537593072 673396232 /nfs/dbraw/zinc/39/62/32/673396232.db2.gz PVXVFWJQLUMCHW-QWHCGFSZSA-N -1 1 357.432 2.252 20 5 FEBDMM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538284856 673431429 /nfs/dbraw/zinc/43/14/29/673431429.db2.gz IXCNKQZITXVGNR-YGRLFVJLSA-N -1 1 369.374 2.183 20 5 FEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000738404462 673620887 /nfs/dbraw/zinc/62/08/87/673620887.db2.gz WDDCRANBDZOSJU-UHFFFAOYSA-N -1 1 362.161 2.157 20 5 FEBDMM CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599265187 673650820 /nfs/dbraw/zinc/65/08/20/673650820.db2.gz IJSKUSCWXXHUDF-UHFFFAOYSA-N -1 1 366.443 2.494 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c([N+](=O)[O-])n1 ZINC000599411931 673672016 /nfs/dbraw/zinc/67/20/16/673672016.db2.gz LTTULOFIDLSTRJ-AWEZNQCLSA-N -1 1 365.415 2.026 20 5 FEBDMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000545291179 673757199 /nfs/dbraw/zinc/75/71/99/673757199.db2.gz RJBPMXMVXRWUHH-UHFFFAOYSA-N -1 1 358.807 2.195 20 5 FEBDMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746401396 673876593 /nfs/dbraw/zinc/87/65/93/673876593.db2.gz YIFDPSPDKHJNRQ-SECBINFHSA-N -1 1 364.807 2.114 20 5 FEBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823379998 675548903 /nfs/dbraw/zinc/54/89/03/675548903.db2.gz NPVCGNLRYNZEPV-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823379998 675548904 /nfs/dbraw/zinc/54/89/04/675548904.db2.gz NPVCGNLRYNZEPV-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603978923 675802669 /nfs/dbraw/zinc/80/26/69/675802669.db2.gz QBBGRJJAOCAQLQ-UHFFFAOYSA-N -1 1 370.314 2.027 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)s1 ZINC000618179864 676323434 /nfs/dbraw/zinc/32/34/34/676323434.db2.gz CODPPLWJXRUSON-LLVKDONJSA-N -1 1 354.409 2.198 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000761099853 680710906 /nfs/dbraw/zinc/71/09/06/680710906.db2.gz DNVMMMQLTBGUKN-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000748658695 679985236 /nfs/dbraw/zinc/98/52/36/679985236.db2.gz QYKHSROGJLOKRH-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832364706 680127133 /nfs/dbraw/zinc/12/71/33/680127133.db2.gz MIPXSKGHJQQQGC-SNVBAGLBSA-N -1 1 354.215 2.242 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000832579003 680151826 /nfs/dbraw/zinc/15/18/26/680151826.db2.gz APWWVBHKMBVAHW-SECBINFHSA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751403467 680171742 /nfs/dbraw/zinc/17/17/42/680171742.db2.gz JVSLTPMZFJWZRZ-SMDDNHRTSA-N -1 1 368.386 2.177 20 5 FEBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469237 680179914 /nfs/dbraw/zinc/17/99/14/680179914.db2.gz WAWOKSQTQOYRMS-MWLCHTKSSA-N -1 1 350.824 2.324 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1cccc(F)c1 ZINC000751486352 680182189 /nfs/dbraw/zinc/18/21/89/680182189.db2.gz JXLJAOUARVSHFF-ISVAXAHUSA-N -1 1 360.388 2.196 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])co1 ZINC000756404839 680477052 /nfs/dbraw/zinc/47/70/52/680477052.db2.gz NSMAXGZVAIWHAP-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000757426674 680524067 /nfs/dbraw/zinc/52/40/67/680524067.db2.gz XNOVFQVPAVZFNZ-UHFFFAOYSA-N -1 1 352.690 2.187 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000759506275 680653365 /nfs/dbraw/zinc/65/33/65/680653365.db2.gz WJLKJDJEFLKJDX-UHFFFAOYSA-N -1 1 367.339 2.454 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000841573873 680900990 /nfs/dbraw/zinc/90/09/90/680900990.db2.gz FFTLGAZAMBAQED-GFCCVEGCSA-N -1 1 360.407 2.344 20 5 FEBDMM COCCOc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768806634 680959036 /nfs/dbraw/zinc/95/90/36/680959036.db2.gz CVQWDLWAVJCOCT-UHFFFAOYSA-N -1 1 372.424 2.160 20 5 FEBDMM COc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1OC ZINC000768815022 680959485 /nfs/dbraw/zinc/95/94/85/680959485.db2.gz GINSDUAXCGPABA-UHFFFAOYSA-N -1 1 358.397 2.152 20 5 FEBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000848478995 681558604 /nfs/dbraw/zinc/55/86/04/681558604.db2.gz XHPHQNNGQLMPNJ-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM COC1CC(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849412818 681721434 /nfs/dbraw/zinc/72/14/34/681721434.db2.gz ZMVIIVDWDLOYRM-UHFFFAOYSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)cc1Cl ZINC000849469159 681751663 /nfs/dbraw/zinc/75/16/63/681751663.db2.gz QBNFYMBVPQXPAN-VIFPVBQESA-N -1 1 366.798 2.074 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1 ZINC000849469652 681752110 /nfs/dbraw/zinc/75/21/10/681752110.db2.gz XNXAEZBPCWNEEM-SECBINFHSA-N -1 1 366.798 2.074 20 5 FEBDMM Cc1cc(F)cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000854342554 682539255 /nfs/dbraw/zinc/53/92/55/682539255.db2.gz XJIJMXJBJVINHT-UHFFFAOYSA-N -1 1 350.306 2.151 20 5 FEBDMM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000861538153 683432499 /nfs/dbraw/zinc/43/24/99/683432499.db2.gz PQMVLULBDHQKDA-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]O[C@@H]1CCCCO1 ZINC000865081423 683933176 /nfs/dbraw/zinc/93/31/76/683933176.db2.gz LFPWWHSTNAOPFD-CYBMUJFWSA-N -1 1 359.176 2.474 20 5 FEBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000907723529 691546472 /nfs/dbraw/zinc/54/64/72/691546472.db2.gz JTMRPLXPQCVIQS-VOIZVOFFSA-N -1 1 360.819 2.484 20 5 FEBDMM CCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000021634919 539685687 /nfs/dbraw/zinc/68/56/87/539685687.db2.gz VMYDAUFGBRFDMP-UHFFFAOYSA-N -1 1 350.356 2.422 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1OC(F)F ZINC000025298934 539753896 /nfs/dbraw/zinc/75/38/96/539753896.db2.gz VRKBQBHACIQQNH-MRVPVSSYSA-N -1 1 353.281 2.376 20 5 FEBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000030007910 539872462 /nfs/dbraw/zinc/87/24/62/539872462.db2.gz ZLQCSLFJFJUMPI-PELKAZGASA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000032588585 539943632 /nfs/dbraw/zinc/94/36/32/539943632.db2.gz GBSKNSIKDCOBOB-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000800990165 674096063 /nfs/dbraw/zinc/09/60/63/674096063.db2.gz OCBFWYJCFJGDCQ-LURJTMIESA-N -1 1 353.316 2.314 20 5 FEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051266016 540428458 /nfs/dbraw/zinc/42/84/58/540428458.db2.gz QBIWQJBDLNRJQB-UHFFFAOYSA-N -1 1 367.247 2.170 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)c1 ZINC000070880976 541748475 /nfs/dbraw/zinc/74/84/75/541748475.db2.gz KNFFQAVDONVOTC-MRXNPFEDSA-N -1 1 359.382 2.342 20 5 FEBDMM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000124739150 543840801 /nfs/dbraw/zinc/84/08/01/543840801.db2.gz XIJHOJSQGBAKCC-SNVBAGLBSA-N -1 1 358.280 2.398 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000130793649 544165215 /nfs/dbraw/zinc/16/52/15/544165215.db2.gz KOIXWJJDCXSOJA-UHFFFAOYSA-N -1 1 366.399 2.175 20 5 FEBDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000153437549 544775206 /nfs/dbraw/zinc/77/52/06/544775206.db2.gz DTFKMCANJSPPTC-JCOFBHIZSA-N -1 1 360.819 2.340 20 5 FEBDMM CCc1cc(=O)[n-]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000188118212 328067207 /nfs/dbraw/zinc/06/72/07/328067207.db2.gz CYHJBBQEWBVHST-CYBMUJFWSA-N -1 1 360.395 2.138 20 5 FEBDMM O=C(NCc1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188319457 328080337 /nfs/dbraw/zinc/08/03/37/328080337.db2.gz SPSQVJRBHPKMMN-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)s1 ZINC000081187212 325162840 /nfs/dbraw/zinc/16/28/40/325162840.db2.gz CZCYBUGGICVQOP-GHMZBOCLSA-N -1 1 356.429 2.315 20 5 FEBDMM O=C(CCN1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531568 325321267 /nfs/dbraw/zinc/32/12/67/325321267.db2.gz OPMUDLYYZZVZIQ-UHFFFAOYSA-N -1 1 370.409 2.451 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000102888500 325500812 /nfs/dbraw/zinc/50/08/12/325500812.db2.gz KLCLEIGNUKEPCT-LBPRGKRZSA-N -1 1 356.787 2.260 20 5 FEBDMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000103498529 325522617 /nfs/dbraw/zinc/52/26/17/325522617.db2.gz FVQJOGYHISCNTG-UHFFFAOYSA-N -1 1 369.424 2.136 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CSCCS1 ZINC000268164708 329392180 /nfs/dbraw/zinc/39/21/80/329392180.db2.gz HZESEOUCEWHHNY-MRVPVSSYSA-N -1 1 368.889 2.375 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)s1 ZINC000554914588 674341220 /nfs/dbraw/zinc/34/12/20/674341220.db2.gz JOPHLXFTRCVBBC-DOMZBBRYSA-N -1 1 368.436 2.101 20 5 FEBDMM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479230999 561185398 /nfs/dbraw/zinc/18/53/98/561185398.db2.gz YGJLAFZEYPCEFH-QMMMGPOBSA-N -1 1 350.418 2.055 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)s1 ZINC000480863490 561218570 /nfs/dbraw/zinc/21/85/70/561218570.db2.gz FTDDHLFZEZBCSW-SNVBAGLBSA-N -1 1 370.408 2.165 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000178489285 546801864 /nfs/dbraw/zinc/80/18/64/546801864.db2.gz CSQWEYZZJYRCRB-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000481604491 561237216 /nfs/dbraw/zinc/23/72/16/561237216.db2.gz LVTHOOSCWALMMU-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM Cn1ccnc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186860328 548207894 /nfs/dbraw/zinc/20/78/94/548207894.db2.gz ZZGIEYDQLDNFBC-AWEZNQCLSA-N -1 1 371.328 2.087 20 5 FEBDMM O=C(NCc1ccnc(N2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186963154 548228590 /nfs/dbraw/zinc/22/85/90/548228590.db2.gz BUYBAGFERMSYLZ-UHFFFAOYSA-N -1 1 357.370 2.011 20 5 FEBDMM Cc1oc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000486209901 561341123 /nfs/dbraw/zinc/34/11/23/561341123.db2.gz LOWPLQRDQGUZMG-UHFFFAOYSA-N -1 1 358.310 2.343 20 5 FEBDMM COCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000487833912 561376857 /nfs/dbraw/zinc/37/68/57/561376857.db2.gz APFQITBVCMVNEM-UHFFFAOYSA-N -1 1 366.761 2.205 20 5 FEBDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262338235 549812374 /nfs/dbraw/zinc/81/23/74/549812374.db2.gz XUIKJIQXGCVCKX-FZQKWOKYSA-N -1 1 358.354 2.329 20 5 FEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492581850 561451875 /nfs/dbraw/zinc/45/18/75/561451875.db2.gz UOHLZTVIHZMEQV-CQSZACIVSA-N -1 1 353.338 2.280 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)c1 ZINC000280706314 551023426 /nfs/dbraw/zinc/02/34/26/551023426.db2.gz GCLPAQLKLSTZLC-HNNXBMFYSA-N -1 1 359.382 2.342 20 5 FEBDMM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000282861183 551278787 /nfs/dbraw/zinc/27/87/87/551278787.db2.gz YKSDSZOFVULEGS-GFCCVEGCSA-N -1 1 370.818 2.338 20 5 FEBDMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000498452789 561524881 /nfs/dbraw/zinc/52/48/81/561524881.db2.gz OGCWCLRQCBVUJB-SNVBAGLBSA-N -1 1 359.338 2.175 20 5 FEBDMM O=c1nc([C@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000285740222 551804014 /nfs/dbraw/zinc/80/40/14/551804014.db2.gz UBVAIMLOEDBLKE-QMMMGPOBSA-N -1 1 357.292 2.409 20 5 FEBDMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289803085 552381153 /nfs/dbraw/zinc/38/11/53/552381153.db2.gz JNMNYVCUBAMKSI-IUCAKERBSA-N -1 1 366.798 2.338 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c(Cl)cc1Cl ZINC000289828804 552385422 /nfs/dbraw/zinc/38/54/22/552385422.db2.gz LBHLCHMKJBIPEX-YUMQZZPRSA-N -1 1 369.226 2.341 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])n1 ZINC000501183262 561592115 /nfs/dbraw/zinc/59/21/15/561592115.db2.gz CTSOGZYOHUBTSW-MRVPVSSYSA-N -1 1 360.342 2.129 20 5 FEBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000292114572 552695261 /nfs/dbraw/zinc/69/52/61/552695261.db2.gz VZZFJQNMSWGSGP-UHFFFAOYSA-N -1 1 357.363 2.461 20 5 FEBDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000507612643 561735070 /nfs/dbraw/zinc/73/50/70/561735070.db2.gz GNHRFZIDOWZKGO-UHFFFAOYSA-N -1 1 368.346 2.286 20 5 FEBDMM CC(=O)Nc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000350788788 554813326 /nfs/dbraw/zinc/81/33/26/554813326.db2.gz WBRFSNWJRLGECZ-UHFFFAOYSA-N -1 1 370.325 2.113 20 5 FEBDMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000511367283 561867040 /nfs/dbraw/zinc/86/70/40/561867040.db2.gz NYIIRIYPNPBERR-UHFFFAOYSA-N -1 1 373.337 2.069 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000518618340 562115480 /nfs/dbraw/zinc/11/54/80/562115480.db2.gz MGGZYVDZTCTVBM-SECBINFHSA-N -1 1 354.340 2.014 20 5 FEBDMM Cn1cc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(-c2ccccn2)n1 ZINC000373907344 557784352 /nfs/dbraw/zinc/78/43/52/557784352.db2.gz GEHQNCRIOAUGIJ-UHFFFAOYSA-N -1 1 373.394 2.332 20 5 FEBDMM CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000376203363 558140442 /nfs/dbraw/zinc/14/04/42/558140442.db2.gz MWOULAQMPNCORL-UHFFFAOYSA-N -1 1 355.350 2.139 20 5 FEBDMM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000409916959 558727227 /nfs/dbraw/zinc/72/72/27/558727227.db2.gz AOMYEWXCMVEOGD-UHFFFAOYSA-N -1 1 373.822 2.073 20 5 FEBDMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174289 562241948 /nfs/dbraw/zinc/24/19/48/562241948.db2.gz DSWSWXSJDDMQCI-UHFFFAOYSA-N -1 1 365.411 2.298 20 5 FEBDMM COc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000525771246 562254463 /nfs/dbraw/zinc/25/44/63/562254463.db2.gz INQKFDDFDYWDJZ-JTQLQIEISA-N -1 1 361.354 2.074 20 5 FEBDMM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421927778 559556999 /nfs/dbraw/zinc/55/69/99/559556999.db2.gz SMDDMYBCBUJUAR-QWRGUYRKSA-N -1 1 365.386 2.278 20 5 FEBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000432274143 559855277 /nfs/dbraw/zinc/85/52/77/559855277.db2.gz HSLTWIDNJDDKRF-HNNXBMFYSA-N -1 1 366.399 2.198 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000435179080 559917727 /nfs/dbraw/zinc/91/77/27/559917727.db2.gz WVMWTDQIMDRUGL-UHFFFAOYSA-N -1 1 362.367 2.291 20 5 FEBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443327927 560080222 /nfs/dbraw/zinc/08/02/22/560080222.db2.gz OOJAYKFYESMFCL-ZJUUUORDSA-N -1 1 350.824 2.324 20 5 FEBDMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445013695 560126538 /nfs/dbraw/zinc/12/65/38/560126538.db2.gz VNEWAANJVHMBIZ-UHFFFAOYSA-N -1 1 367.365 2.212 20 5 FEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000445174551 560130351 /nfs/dbraw/zinc/13/03/51/560130351.db2.gz RGOBTZQMHPSLAR-UHFFFAOYSA-N -1 1 359.338 2.132 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)s1 ZINC000447846105 560170998 /nfs/dbraw/zinc/17/09/98/560170998.db2.gz XFWUYIVXHATLFH-UHFFFAOYSA-N -1 1 365.339 2.131 20 5 FEBDMM COC(=O)c1cc(C)nc([N-]c2cnn([C@H]3CCOC3)c2C)c1[N+](=O)[O-] ZINC000450789494 560273430 /nfs/dbraw/zinc/27/34/30/560273430.db2.gz GAHQZSYKWCIUHB-NSHDSACASA-N -1 1 361.358 2.295 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)s1 ZINC000451896889 560335556 /nfs/dbraw/zinc/33/55/56/560335556.db2.gz GXDZXQPWRKQBQL-NWDGAFQWSA-N -1 1 369.424 2.250 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CCc3ccccc3CC2)c([N+](=O)[O-])n1 ZINC000451951577 560340375 /nfs/dbraw/zinc/34/03/75/560340375.db2.gz CXEIOCQZYHQBGW-UHFFFAOYSA-N -1 1 364.427 2.037 20 5 FEBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@](C)(C(F)(F)F)O1 ZINC000452143587 560353690 /nfs/dbraw/zinc/35/36/90/560353690.db2.gz ASBUSVXJGXQVSE-CYBMUJFWSA-N -1 1 363.292 2.267 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000472700443 561033313 /nfs/dbraw/zinc/03/33/13/561033313.db2.gz QOBGEUMBBBXSMJ-SNVBAGLBSA-N -1 1 362.816 2.322 20 5 FEBDMM CCCOC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000530728083 562422104 /nfs/dbraw/zinc/42/21/04/562422104.db2.gz DAIYZTAGHOTWJY-UHFFFAOYSA-N -1 1 357.432 2.398 20 5 FEBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000531856686 562458909 /nfs/dbraw/zinc/45/89/09/562458909.db2.gz YSQZVCGGYAARPM-NSHDSACASA-N -1 1 373.431 2.025 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)c([N+](=O)[O-])n1 ZINC000533174465 562500321 /nfs/dbraw/zinc/50/03/21/562500321.db2.gz KUYCHSUDKIXWAB-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533177739 562500455 /nfs/dbraw/zinc/50/04/55/562500455.db2.gz DZGHSYLTVCBQLJ-GFCCVEGCSA-N -1 1 366.443 2.456 20 5 FEBDMM O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc([O-])cc1 ZINC000534312565 562531246 /nfs/dbraw/zinc/53/12/46/562531246.db2.gz DYEQZRRMMIGSPX-UHFFFAOYSA-N -1 1 353.128 2.108 20 5 FEBDMM Cc1c(C=C([O-])Nc2nc(-c3cccnc3)ns2)cccc1[N+](=O)[O-] ZINC000534439554 562534238 /nfs/dbraw/zinc/53/42/38/562534238.db2.gz FGKCKPDCQVYDNH-UHFFFAOYSA-N -1 1 355.379 2.420 20 5 FEBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000537183098 562587275 /nfs/dbraw/zinc/58/72/75/562587275.db2.gz OMKXQLMPKOKDCP-ZDUSSCGKSA-N -1 1 362.835 2.324 20 5 FEBDMM COc1ccc([O-])c(S(=O)(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000537197189 562587634 /nfs/dbraw/zinc/58/76/34/562587634.db2.gz PEPOJLYGLPGYJE-UHFFFAOYSA-N -1 1 364.379 2.451 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000542003112 562625455 /nfs/dbraw/zinc/62/54/55/562625455.db2.gz JCULWQCDHVNBAJ-UHFFFAOYSA-N -1 1 366.351 2.175 20 5 FEBDMM COc1cc(CN2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000568063009 567823704 /nfs/dbraw/zinc/82/37/04/567823704.db2.gz YWJZIACVXJNYQM-VIFPVBQESA-N -1 1 360.313 2.154 20 5 FEBDMM Cn1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833052764 601785208 /nfs/dbraw/zinc/78/52/08/601785208.db2.gz HTGPDMWOSGQGOZ-UHFFFAOYSA-N -1 1 359.747 2.086 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2CO)cc1Cl ZINC000809819856 674512694 /nfs/dbraw/zinc/51/26/94/674512694.db2.gz ZODZSLPDIJQBQG-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740632565 602993627 /nfs/dbraw/zinc/99/36/27/602993627.db2.gz MVVNRXQVIHYRDJ-BXKDBHETSA-N -1 1 361.358 2.027 20 5 FEBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809844786 674515895 /nfs/dbraw/zinc/51/58/95/674515895.db2.gz WFKFGZPCWZWJGY-HZGVNTEJSA-N -1 1 354.812 2.417 20 5 FEBDMM Cc1c(NC(=O)[C@H](C)N(C)CC(C)(C)CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829876560 603630087 /nfs/dbraw/zinc/63/00/87/603630087.db2.gz GOMDZYYEERKPRL-LBPRGKRZSA-N -1 1 366.418 2.456 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500491 604048802 /nfs/dbraw/zinc/04/88/02/604048802.db2.gz KZGONPVXGWTUBL-TZMCWYRMSA-N -1 1 367.402 2.493 20 5 FEBDMM C[C@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000833567933 604807641 /nfs/dbraw/zinc/80/76/41/604807641.db2.gz ASJOLZXGPUOYMX-XPTSAGLGSA-N -1 1 360.363 2.046 20 5 FEBDMM CN1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833696999 604860906 /nfs/dbraw/zinc/86/09/06/604860906.db2.gz ANZPAOAHGZMAFC-DLBZAZTESA-N -1 1 369.377 2.468 20 5 FEBDMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833383515 605366896 /nfs/dbraw/zinc/36/68/96/605366896.db2.gz UQKMGWXRYCRLJZ-YBEMTRGBSA-N -1 1 361.398 2.006 20 5 FEBDMM CC(C)CCOC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820076991 606698895 /nfs/dbraw/zinc/69/88/95/606698895.db2.gz XEXVKDPDZXNEAO-UHFFFAOYSA-N -1 1 361.406 2.201 20 5 FEBDMM CC(C)CCOC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820076991 606698896 /nfs/dbraw/zinc/69/88/96/606698896.db2.gz XEXVKDPDZXNEAO-UHFFFAOYSA-N -1 1 361.406 2.201 20 5 FEBDMM CC(C)(O)COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819991135 606710359 /nfs/dbraw/zinc/71/03/59/606710359.db2.gz ADCQEQXBTSNWIE-UHFFFAOYSA-N -1 1 371.357 2.063 20 5 FEBDMM CC(C)(O)COc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819991135 606710360 /nfs/dbraw/zinc/71/03/60/606710360.db2.gz ADCQEQXBTSNWIE-UHFFFAOYSA-N -1 1 371.357 2.063 20 5 FEBDMM COc1cccc(OCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821877633 606712477 /nfs/dbraw/zinc/71/24/77/606712477.db2.gz OFEQLWPGMQHDDX-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM COc1cccc(OCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821877633 606712479 /nfs/dbraw/zinc/71/24/79/606712479.db2.gz OFEQLWPGMQHDDX-UHFFFAOYSA-N -1 1 371.357 2.060 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820281215 606713075 /nfs/dbraw/zinc/71/30/75/606713075.db2.gz UBFZWUIXBXSMHN-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820281215 606713076 /nfs/dbraw/zinc/71/30/76/606713076.db2.gz UBFZWUIXBXSMHN-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(F)ccc(F)c2C1 ZINC000823620257 606718906 /nfs/dbraw/zinc/71/89/06/606718906.db2.gz JDLMBKPBUDDPTC-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c(F)ccc(F)c2C1 ZINC000823620257 606718908 /nfs/dbraw/zinc/71/89/08/606718908.db2.gz JDLMBKPBUDDPTC-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2ccc(F)c(F)c2C1 ZINC000823620484 607131703 /nfs/dbraw/zinc/13/17/03/607131703.db2.gz LNLYQPWGSNWFHE-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2ccc(F)c(F)c2C1 ZINC000823620484 607131705 /nfs/dbraw/zinc/13/17/05/607131705.db2.gz LNLYQPWGSNWFHE-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM COc1ccc(C)cc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821783185 607164828 /nfs/dbraw/zinc/16/48/28/607164828.db2.gz YWHAHGATINLQOD-UHFFFAOYSA-N -1 1 355.358 2.142 20 5 FEBDMM COc1ccc(C)cc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821783185 607164829 /nfs/dbraw/zinc/16/48/29/607164829.db2.gz YWHAHGATINLQOD-UHFFFAOYSA-N -1 1 355.358 2.142 20 5 FEBDMM Cc1csc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826321161 607841468 /nfs/dbraw/zinc/84/14/68/607841468.db2.gz SHGQGKUZVHSSKP-ZDUSSCGKSA-N -1 1 373.398 2.118 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000815018114 674897781 /nfs/dbraw/zinc/89/77/81/674897781.db2.gz GSORLDCOTSURFX-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020990 674899181 /nfs/dbraw/zinc/89/91/81/674899181.db2.gz AECXJQUOHGYCAA-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039348 674905513 /nfs/dbraw/zinc/90/55/13/674905513.db2.gz VFMUOMDIHLDBOT-OIBJUYFYSA-N -1 1 352.771 2.091 20 5 FEBDMM Cc1nccnc1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815078246 674912926 /nfs/dbraw/zinc/91/29/26/674912926.db2.gz TYBLIZSJDRLZSH-UHFFFAOYSA-N -1 1 374.781 2.007 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c1 ZINC000577220487 671425151 /nfs/dbraw/zinc/42/51/51/671425151.db2.gz RJBUNCSNZSKUKR-UHFFFAOYSA-N -1 1 352.372 2.013 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608909034 675906873 /nfs/dbraw/zinc/90/68/73/675906873.db2.gz MNPMUPOHPMGRLE-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000581401863 671892821 /nfs/dbraw/zinc/89/28/21/671892821.db2.gz FYQOOHKUESYWKO-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM CC(C)Oc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000120117471 671917335 /nfs/dbraw/zinc/91/73/35/671917335.db2.gz QDFUUFQTTIABMR-UHFFFAOYSA-N -1 1 357.413 2.317 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000120844936 671936654 /nfs/dbraw/zinc/93/66/54/671936654.db2.gz UKXJGHQJYRSFCG-CYBMUJFWSA-N -1 1 356.787 2.260 20 5 FEBDMM CCN(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(C)c1 ZINC000610211881 675959465 /nfs/dbraw/zinc/95/94/65/675959465.db2.gz FLWUAYDAFLXFKM-UHFFFAOYSA-N -1 1 364.427 2.103 20 5 FEBDMM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265199 675962702 /nfs/dbraw/zinc/96/27/02/675962702.db2.gz IZHVGWMRKBGCEY-GDBMZVCRSA-N -1 1 363.395 2.007 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129177138 672058281 /nfs/dbraw/zinc/05/82/81/672058281.db2.gz QRBLWJMXHOSPDH-BXUZGUMPSA-N -1 1 368.386 2.004 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1F ZINC000177867293 672387000 /nfs/dbraw/zinc/38/70/00/672387000.db2.gz DJDBUYQGODVIGW-UHFFFAOYSA-N -1 1 371.321 2.081 20 5 FEBDMM CCOc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000611466352 676039028 /nfs/dbraw/zinc/03/90/28/676039028.db2.gz BEPLFCZQMPPJCQ-UHFFFAOYSA-N -1 1 351.384 2.373 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000594488691 673091596 /nfs/dbraw/zinc/09/15/96/673091596.db2.gz UMFCQLWZOZEXAZ-CMPLNLGQSA-N -1 1 368.333 2.373 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000536758925 673380556 /nfs/dbraw/zinc/38/05/56/673380556.db2.gz ZFQXNBDOVZUWGY-UKRRQHHQSA-N -1 1 363.395 2.046 20 5 FEBDMM O=C([O-])CCC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000596654818 673401225 /nfs/dbraw/zinc/40/12/25/673401225.db2.gz VEUBVEVMZDNUAL-UHFFFAOYSA-N -1 1 350.371 2.443 20 5 FEBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000736061878 673512238 /nfs/dbraw/zinc/51/22/38/673512238.db2.gz MRTBQHYFAKNTRG-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM CC(C)(CO)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000597845116 673512371 /nfs/dbraw/zinc/51/23/71/673512371.db2.gz FOQIOMWTOYDNBF-LBPRGKRZSA-N -1 1 351.384 2.247 20 5 FEBDMM Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000827225230 675741456 /nfs/dbraw/zinc/74/14/56/675741456.db2.gz WRESUZKBNYLPSH-SECBINFHSA-N -1 1 350.766 2.090 20 5 FEBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828075729 675796393 /nfs/dbraw/zinc/79/63/93/675796393.db2.gz ISVGDZWKIKZSRJ-KOLCDFICSA-N -1 1 350.824 2.324 20 5 FEBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000604286066 675804291 /nfs/dbraw/zinc/80/42/91/675804291.db2.gz FAKYVWTYUOVROR-ZDUSSCGKSA-N -1 1 358.745 2.281 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2CC(O)C2)c1Cl ZINC000831277364 679959692 /nfs/dbraw/zinc/95/96/92/679959692.db2.gz WBDHSWHLFJHTAH-UHFFFAOYSA-N -1 1 369.226 2.341 20 5 FEBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000749299990 680037144 /nfs/dbraw/zinc/03/71/44/680037144.db2.gz BTWQMGFKGYYQSJ-UHFFFAOYSA-N -1 1 362.379 2.134 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000832231247 680112908 /nfs/dbraw/zinc/11/29/08/680112908.db2.gz JHOHFWJACBFUCM-SMDDNHRTSA-N -1 1 362.423 2.301 20 5 FEBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000841535575 680893780 /nfs/dbraw/zinc/89/37/80/680893780.db2.gz SWTFZAAFGBSGRP-SFYZADRCSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000769046510 680968913 /nfs/dbraw/zinc/96/89/13/680968913.db2.gz KJASDULAUGVGSA-VIFPVBQESA-N -1 1 350.352 2.224 20 5 FEBDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000846011181 681173255 /nfs/dbraw/zinc/17/32/55/681173255.db2.gz VJLWEVKPCPWVEB-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM CO[C@@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000848583905 681583446 /nfs/dbraw/zinc/58/34/46/681583446.db2.gz ZYLUYGWSYUAUMI-VIFPVBQESA-N -1 1 358.219 2.260 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000788722652 682554185 /nfs/dbraw/zinc/55/41/85/682554185.db2.gz RIUCMLFUZHOHQZ-GJZGRUSLSA-N -1 1 365.411 2.026 20 5 FEBDMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000793353712 682884176 /nfs/dbraw/zinc/88/41/76/682884176.db2.gz QKSOQTXWCCSDQV-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000920937183 683382046 /nfs/dbraw/zinc/38/20/46/683382046.db2.gz RKJFZYGBTNTRSE-OIBJUYFYSA-N -1 1 372.296 2.122 20 5 FEBDMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921497578 683485752 /nfs/dbraw/zinc/48/57/52/683485752.db2.gz PYAYMSZUXGLUNG-MUWHJKNJSA-N -1 1 355.199 2.215 20 5 FEBDMM Cn1cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000877705345 686441697 /nfs/dbraw/zinc/44/16/97/686441697.db2.gz AHCSSRYXVOIXGC-UHFFFAOYSA-N -1 1 365.821 2.005 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)s1 ZINC000066327602 541302829 /nfs/dbraw/zinc/30/28/29/541302829.db2.gz FOCYJCDGUIDYED-UHFFFAOYSA-N -1 1 372.815 2.436 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000067116741 541419578 /nfs/dbraw/zinc/41/95/78/541419578.db2.gz MOCLOPIYCRNHIE-UHFFFAOYSA-N -1 1 364.383 2.449 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1F ZINC000076556463 542292636 /nfs/dbraw/zinc/29/26/36/542292636.db2.gz LVSNATFMADSMRS-UHFFFAOYSA-N -1 1 353.331 2.493 20 5 FEBDMM COC(=O)c1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000552743012 674222840 /nfs/dbraw/zinc/22/28/40/674222840.db2.gz FOYIZZCINWHQTC-UHFFFAOYSA-N -1 1 370.115 2.384 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000178882131 327613397 /nfs/dbraw/zinc/61/33/97/327613397.db2.gz FMWFNQUZDSPHJL-ZDUSSCGKSA-N -1 1 368.386 2.178 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-] ZINC000181163263 327718924 /nfs/dbraw/zinc/71/89/24/327718924.db2.gz DWSWIKMPFZBOEI-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184669901 327878093 /nfs/dbraw/zinc/87/80/93/327878093.db2.gz NCRSSEFVKMIMLZ-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000188010821 328060185 /nfs/dbraw/zinc/06/01/85/328060185.db2.gz KVLQCOUQLCXPMH-HNNXBMFYSA-N -1 1 357.366 2.169 20 5 FEBDMM C[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008177610 324361150 /nfs/dbraw/zinc/36/11/50/324361150.db2.gz TXRWKSVZUVWIRA-NSHDSACASA-N -1 1 351.384 2.188 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155860893 326808139 /nfs/dbraw/zinc/80/81/39/326808139.db2.gz CFLKVEVFBXTQLH-FZZIBODNSA-N -1 1 372.830 2.484 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000273585307 329876956 /nfs/dbraw/zinc/87/69/56/329876956.db2.gz IYOICZAHALJKRD-ZETCQYMHSA-N -1 1 360.392 2.242 20 5 FEBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000159948695 545994988 /nfs/dbraw/zinc/99/49/88/545994988.db2.gz GLRKBAULUPMXAM-UHFFFAOYSA-N -1 1 354.388 2.470 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000479210185 561184919 /nfs/dbraw/zinc/18/49/19/561184919.db2.gz ZDAMNYZPJKYUNQ-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM Cn1c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2cccc(Cl)c21 ZINC000483585772 561280169 /nfs/dbraw/zinc/28/01/69/561280169.db2.gz QBKBVPKMNBAYTM-UHFFFAOYSA-N -1 1 361.745 2.166 20 5 FEBDMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484254743 561294710 /nfs/dbraw/zinc/29/47/10/561294710.db2.gz GFIZYBRZADWFMC-UHFFFAOYSA-N -1 1 358.354 2.023 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000484562773 561300069 /nfs/dbraw/zinc/30/00/69/561300069.db2.gz WNEKOMBYUCOIOT-UHFFFAOYSA-N -1 1 370.774 2.489 20 5 FEBDMM Cc1ccccc1C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOCC1 ZINC000187014774 548241034 /nfs/dbraw/zinc/24/10/34/548241034.db2.gz UPWBONJRQTVXMS-UHFFFAOYSA-N -1 1 371.393 2.482 20 5 FEBDMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000486630257 561352885 /nfs/dbraw/zinc/35/28/85/561352885.db2.gz OTMTWVKNCHCLEB-UHFFFAOYSA-N -1 1 351.326 2.223 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])n1 ZINC000489973125 561423843 /nfs/dbraw/zinc/42/38/43/561423843.db2.gz ROZUHDQWNBVCCG-SNVBAGLBSA-N -1 1 366.390 2.305 20 5 FEBDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262338238 549812420 /nfs/dbraw/zinc/81/24/20/549812420.db2.gz XUIKJIQXGCVCKX-FZZIBODNSA-N -1 1 358.354 2.329 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 ZINC000268299835 550046483 /nfs/dbraw/zinc/04/64/83/550046483.db2.gz XUPQXFIZSPRVJG-LBPRGKRZSA-N -1 1 370.383 2.171 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273568846 550503527 /nfs/dbraw/zinc/50/35/27/550503527.db2.gz GFRVBNLGPVTNOD-ZCFIWIBFSA-N -1 1 362.820 2.448 20 5 FEBDMM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278223827 550762655 /nfs/dbraw/zinc/76/26/55/550762655.db2.gz URUXYEBOISZVDW-MRXNPFEDSA-N -1 1 351.359 2.033 20 5 FEBDMM Cc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000281571551 551114699 /nfs/dbraw/zinc/11/46/99/551114699.db2.gz AVCAUWMJORQHLA-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000289638726 552354010 /nfs/dbraw/zinc/35/40/10/552354010.db2.gz SJMNZSDYQHSHIE-HTQZYQBOSA-N -1 1 367.221 2.059 20 5 FEBDMM CC(C)c1nc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)no1 ZINC000294014410 552875447 /nfs/dbraw/zinc/87/54/47/552875447.db2.gz NAQMKGRDFAFRLX-UHFFFAOYSA-N -1 1 361.358 2.222 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000325395212 553775787 /nfs/dbraw/zinc/77/57/87/553775787.db2.gz AFQCWLKJPVSLSC-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000327691199 553790561 /nfs/dbraw/zinc/79/05/61/553790561.db2.gz SPWXLHAGNIROFE-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(Cn2ccnc2)cn1 ZINC000508066539 561749816 /nfs/dbraw/zinc/74/98/16/561749816.db2.gz CMIBWXZHEJUJFG-UHFFFAOYSA-N -1 1 373.394 2.177 20 5 FEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1ccncc1 ZINC000366757177 555926233 /nfs/dbraw/zinc/92/62/33/555926233.db2.gz REYZHLKXXKIGTP-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000515202634 562000432 /nfs/dbraw/zinc/00/04/32/562000432.db2.gz UKFJIQTUKHEHBM-LLVKDONJSA-N -1 1 371.271 2.178 20 5 FEBDMM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000521173840 562170934 /nfs/dbraw/zinc/17/09/34/562170934.db2.gz GUJUZFUEPDXDPE-UONOGXRCSA-N -1 1 363.395 2.223 20 5 FEBDMM C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000521638564 562180906 /nfs/dbraw/zinc/18/09/06/562180906.db2.gz YMQCOQAYBZULII-LLVKDONJSA-N -1 1 367.452 2.386 20 5 FEBDMM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525185270 562242118 /nfs/dbraw/zinc/24/21/18/562242118.db2.gz RCXANCVVQPEBOY-GFCCVEGCSA-N -1 1 365.411 2.298 20 5 FEBDMM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000416550464 559321141 /nfs/dbraw/zinc/32/11/41/559321141.db2.gz RJHXKSQMBZOKNK-SNVBAGLBSA-N -1 1 354.409 2.111 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416615510 559325268 /nfs/dbraw/zinc/32/52/68/559325268.db2.gz GUKBPVMJBMRDBP-ZYHUDNBSSA-N -1 1 350.824 2.322 20 5 FEBDMM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432199714 559854063 /nfs/dbraw/zinc/85/40/63/559854063.db2.gz ADZKHEZGGSRSTM-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671284 559948348 /nfs/dbraw/zinc/94/83/48/559948348.db2.gz VIYANMYHYKHBDY-UHFFFAOYSA-N -1 1 356.338 2.472 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436992387 559958750 /nfs/dbraw/zinc/95/87/50/559958750.db2.gz VGDBTFPTVQJAGQ-ZDUSSCGKSA-N -1 1 353.338 2.132 20 5 FEBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437666488 559967498 /nfs/dbraw/zinc/96/74/98/559967498.db2.gz KWGPQHQEMOHJKL-UHFFFAOYSA-N -1 1 370.291 2.326 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)n(C)c2c1 ZINC000442223018 560046477 /nfs/dbraw/zinc/04/64/77/560046477.db2.gz XASIWONSWPQNIV-UHFFFAOYSA-N -1 1 362.367 2.296 20 5 FEBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000445220027 560130968 /nfs/dbraw/zinc/13/09/68/560130968.db2.gz ZKLBETZGMSWAOZ-UHFFFAOYSA-N -1 1 361.745 2.166 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Cl)c1 ZINC000451740898 560325881 /nfs/dbraw/zinc/32/58/81/560325881.db2.gz ZWTAAYPPQIUUFT-UHFFFAOYSA-N -1 1 352.771 2.045 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000466510157 560888649 /nfs/dbraw/zinc/88/86/49/560888649.db2.gz NREADVVVQPHIDN-UHFFFAOYSA-N -1 1 354.340 2.242 20 5 FEBDMM CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471130781 560998915 /nfs/dbraw/zinc/99/89/15/560998915.db2.gz LMCLCYLBNDDWOS-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531047558 562432870 /nfs/dbraw/zinc/43/28/70/562432870.db2.gz ZGOXIUPVZDZIKC-UHFFFAOYSA-N -1 1 355.310 2.213 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000532107834 562467165 /nfs/dbraw/zinc/46/71/65/562467165.db2.gz AAGSOWUVOSIHGY-GFCCVEGCSA-N -1 1 373.394 2.215 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000532853871 562490457 /nfs/dbraw/zinc/49/04/57/562490457.db2.gz CZUNGYRTOSIAPO-VIFPVBQESA-N -1 1 374.369 2.171 20 5 FEBDMM COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000569656493 568416264 /nfs/dbraw/zinc/41/62/64/568416264.db2.gz LMWYDTJWQAXBJQ-UHFFFAOYSA-N -1 1 360.294 2.388 20 5 FEBDMM COc1ccccc1[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)C ZINC000570048414 568443330 /nfs/dbraw/zinc/44/33/30/568443330.db2.gz TUZDZZBYBIOTML-ZDUSSCGKSA-N -1 1 360.370 2.411 20 5 FEBDMM O=[N+]([O-])c1ccc(OC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000823644770 599091564 /nfs/dbraw/zinc/09/15/64/599091564.db2.gz MPITVSYVPNBGBL-UHFFFAOYSA-N -1 1 367.369 2.218 20 5 FEBDMM O=[N+]([O-])c1ccc(OC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000823644770 599091566 /nfs/dbraw/zinc/09/15/66/599091566.db2.gz MPITVSYVPNBGBL-UHFFFAOYSA-N -1 1 367.369 2.218 20 5 FEBDMM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000823651460 599394294 /nfs/dbraw/zinc/39/42/94/599394294.db2.gz KOBAUVKMPWRUKW-UHFFFAOYSA-N -1 1 358.339 2.092 20 5 FEBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000740177129 600005203 /nfs/dbraw/zinc/00/52/03/600005203.db2.gz FJVGHQRLAMPSLY-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967831 601544024 /nfs/dbraw/zinc/54/40/24/601544024.db2.gz HZHBVYZKTDGZKO-HNNXBMFYSA-N -1 1 351.403 2.370 20 5 FEBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)o1 ZINC000832907707 602143992 /nfs/dbraw/zinc/14/39/92/602143992.db2.gz HXVYTQHRGLTURD-UHFFFAOYSA-N -1 1 357.282 2.232 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000832098174 602308971 /nfs/dbraw/zinc/30/89/71/602308971.db2.gz WCSMSDOWGJMVNW-UHFFFAOYSA-N -1 1 367.339 2.494 20 5 FEBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818860 674512315 /nfs/dbraw/zinc/51/23/15/674512315.db2.gz KLOSZUIDOUCMGD-OQPBUACISA-N -1 1 368.814 2.463 20 5 FEBDMM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809826474 674513481 /nfs/dbraw/zinc/51/34/81/674513481.db2.gz GYVNFZBOJSPAMP-UHFFFAOYSA-N -1 1 355.199 2.359 20 5 FEBDMM CCCCOCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809811608 674511344 /nfs/dbraw/zinc/51/13/44/674511344.db2.gz OIOXKDZTPXRUQD-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM O=C([O-])N[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000740532342 603031996 /nfs/dbraw/zinc/03/19/96/603031996.db2.gz CDCIGOAXXZKOHS-CQSZACIVSA-N -1 1 369.337 2.210 20 5 FEBDMM Cc1[nH]nc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000832847614 604790346 /nfs/dbraw/zinc/79/03/46/604790346.db2.gz OOGTUIFANUFQQL-UHFFFAOYSA-N -1 1 373.369 2.041 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000788752384 605288364 /nfs/dbraw/zinc/28/83/64/605288364.db2.gz ADIKNCNEVAENEW-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820456542 606645605 /nfs/dbraw/zinc/64/56/05/606645605.db2.gz VFBDNPKOEDDLRW-SNVBAGLBSA-N -1 1 353.342 2.214 20 5 FEBDMM CCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821422175 606697844 /nfs/dbraw/zinc/69/78/44/606697844.db2.gz RBIAAGJOYFSXFD-UHFFFAOYSA-N -1 1 371.357 2.189 20 5 FEBDMM CCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821422175 606697845 /nfs/dbraw/zinc/69/78/45/606697845.db2.gz RBIAAGJOYFSXFD-UHFFFAOYSA-N -1 1 371.357 2.189 20 5 FEBDMM COc1cccc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821862895 606710090 /nfs/dbraw/zinc/71/00/90/606710090.db2.gz GFFPTIKMCDBFRI-SNVBAGLBSA-N -1 1 355.358 2.222 20 5 FEBDMM COc1cccc(C[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821862895 606710092 /nfs/dbraw/zinc/71/00/92/606710092.db2.gz GFFPTIKMCDBFRI-SNVBAGLBSA-N -1 1 355.358 2.222 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc2ccccc2s1 ZINC000823625554 607165504 /nfs/dbraw/zinc/16/55/04/607165504.db2.gz YKYNXJKBVFUZON-UHFFFAOYSA-N -1 1 368.382 2.434 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nc2ccccc2s1 ZINC000823625554 607165506 /nfs/dbraw/zinc/16/55/06/607165506.db2.gz YKYNXJKBVFUZON-UHFFFAOYSA-N -1 1 368.382 2.434 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000562313165 674740168 /nfs/dbraw/zinc/74/01/68/674740168.db2.gz KHXARFFPFLWCHJ-UKRRQHHQSA-N -1 1 363.395 2.046 20 5 FEBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024970 674900794 /nfs/dbraw/zinc/90/07/94/674900794.db2.gz AGMABNATGBMMKQ-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)CC1CCC1 ZINC000815043581 674905898 /nfs/dbraw/zinc/90/58/98/674905898.db2.gz VCOWUBWJXWXLDJ-VIFPVBQESA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000815043219 674905929 /nfs/dbraw/zinc/90/59/29/674905929.db2.gz QBNHKSMLQUFJQI-ZETCQYMHSA-N -1 1 354.812 2.419 20 5 FEBDMM O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])ccc1I ZINC000060393488 670385094 /nfs/dbraw/zinc/38/50/94/670385094.db2.gz UUSHRGXZMYSYRE-UHFFFAOYSA-N -1 1 359.079 2.440 20 5 FEBDMM COc1nnccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000565742367 675148006 /nfs/dbraw/zinc/14/80/06/675148006.db2.gz OIZVOFIBVHMGPM-UHFFFAOYSA-N -1 1 359.161 2.470 20 5 FEBDMM CC(C)(C)C1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000609550258 675925970 /nfs/dbraw/zinc/92/59/70/675925970.db2.gz XPVVHHQVVVBMAM-UHFFFAOYSA-N -1 1 351.403 2.393 20 5 FEBDMM O=C(NCc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000609531903 675924664 /nfs/dbraw/zinc/92/46/64/675924664.db2.gz AUHKJRDTWLIKFY-UHFFFAOYSA-N -1 1 356.367 2.189 20 5 FEBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119138536 671893274 /nfs/dbraw/zinc/89/32/74/671893274.db2.gz IPCUCLDGPAAJBF-LBPRGKRZSA-N -1 1 350.824 2.324 20 5 FEBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610260275 675961692 /nfs/dbraw/zinc/96/16/92/675961692.db2.gz JIJXMSIQHQJKLW-NSHDSACASA-N -1 1 351.384 2.428 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000610261522 675961775 /nfs/dbraw/zinc/96/17/75/675961775.db2.gz WWCIFEMBHJNWRO-UHFFFAOYSA-N -1 1 362.411 2.069 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1O ZINC000126379072 672023716 /nfs/dbraw/zinc/02/37/16/672023716.db2.gz HKDIJTYBVPKCRK-ZFWWWQNUSA-N -1 1 368.798 2.185 20 5 FEBDMM COCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000134281430 672121927 /nfs/dbraw/zinc/12/19/27/672121927.db2.gz FMBVXPBHHVHIPB-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM Cn1cnc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000151411982 672162091 /nfs/dbraw/zinc/16/20/91/672162091.db2.gz HMGPFCAKOAFNNA-UHFFFAOYSA-N -1 1 372.834 2.283 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)s1 ZINC000585739883 672229071 /nfs/dbraw/zinc/22/90/71/672229071.db2.gz YHJSQHDBRCYCMV-UHFFFAOYSA-N -1 1 352.397 2.054 20 5 FEBDMM COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000590398217 672578427 /nfs/dbraw/zinc/57/84/27/672578427.db2.gz KLQGVWMAZHHKOP-UHFFFAOYSA-N -1 1 358.257 2.194 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])n1 ZINC000592070318 672746992 /nfs/dbraw/zinc/74/69/92/672746992.db2.gz NBVYYOQTDAUXPP-UHFFFAOYSA-N -1 1 368.390 2.308 20 5 FEBDMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC000537739418 673404730 /nfs/dbraw/zinc/40/47/30/673404730.db2.gz KLQOTVDUSABJRM-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1[O-] ZINC000538754401 673455757 /nfs/dbraw/zinc/45/57/57/673455757.db2.gz NDKSZGKKUPVSOR-UHFFFAOYSA-N -1 1 365.367 2.368 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000736421469 673525243 /nfs/dbraw/zinc/52/52/43/673525243.db2.gz UBXHIDBDSLDJBW-UHFFFAOYSA-N -1 1 359.747 2.384 20 5 FEBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(F)c1[O-] ZINC000600445079 673769477 /nfs/dbraw/zinc/76/94/77/673769477.db2.gz LGJNAIVTWIYYGW-SNVBAGLBSA-N -1 1 351.338 2.311 20 5 FEBDMM Cc1ccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548199197 673933119 /nfs/dbraw/zinc/93/31/19/673933119.db2.gz KTYQNPISTHFUSM-CYBMUJFWSA-N -1 1 368.342 2.147 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc2ccccc2o1 ZINC000820720214 675381909 /nfs/dbraw/zinc/38/19/09/675381909.db2.gz JFCQWKIQURORBQ-UHFFFAOYSA-N -1 1 351.315 2.354 20 5 FEBDMM Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000765141226 680832524 /nfs/dbraw/zinc/83/25/24/680832524.db2.gz LDGCVCGNHGTWIV-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751253316 680163358 /nfs/dbraw/zinc/16/33/58/680163358.db2.gz FYQUFMZUDRXKDH-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000756216143 680466938 /nfs/dbraw/zinc/46/69/38/680466938.db2.gz JZUVPMXWQIACET-ZDUSSCGKSA-N -1 1 374.390 2.134 20 5 FEBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000841535948 680893684 /nfs/dbraw/zinc/89/36/84/680893684.db2.gz XJEUUMHOWGYKGB-HTQZYQBOSA-N -1 1 352.771 2.233 20 5 FEBDMM CC[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000841776354 680911430 /nfs/dbraw/zinc/91/14/30/680911430.db2.gz IKOFWACPMUSEJO-KGFZYKRKSA-N -1 1 368.770 2.165 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn(C)c1=O ZINC000767716011 680923747 /nfs/dbraw/zinc/92/37/47/680923747.db2.gz GUPCLBYRYRBRHV-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 ZINC000769047685 680968981 /nfs/dbraw/zinc/96/89/81/680968981.db2.gz PAWYCFALVKJCIJ-UHFFFAOYSA-N -1 1 351.702 2.144 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000769908314 681000140 /nfs/dbraw/zinc/00/01/40/681000140.db2.gz OWGVVLCKLMJOEX-SSDOTTSWSA-N -1 1 360.779 2.288 20 5 FEBDMM CC(C)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000846769395 681287211 /nfs/dbraw/zinc/28/72/11/681287211.db2.gz KJHIGDBRMCQMOB-QMMMGPOBSA-N -1 1 368.770 2.022 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000776434589 681391579 /nfs/dbraw/zinc/39/15/79/681391579.db2.gz XAWMRXUJGMQYKN-UHFFFAOYSA-N -1 1 370.774 2.489 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848466772 681555422 /nfs/dbraw/zinc/55/54/22/681555422.db2.gz SEFNUGBPBPWOCA-TZMCWYRMSA-N -1 1 358.391 2.360 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848466770 681555653 /nfs/dbraw/zinc/55/56/53/681555653.db2.gz SEFNUGBPBPWOCA-JSGCOSHPSA-N -1 1 358.391 2.360 20 5 FEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000784215742 682207987 /nfs/dbraw/zinc/20/79/87/682207987.db2.gz PFROFHFNDNXZIT-UTUOFQBUSA-N -1 1 350.371 2.350 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]CC2(Br)CC2)c([N+](=O)[O-])s1 ZINC000920053580 683315973 /nfs/dbraw/zinc/31/59/73/683315973.db2.gz XJAJDZMWVGBGKP-UHFFFAOYSA-N -1 1 355.235 2.171 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c([N+](=O)[O-])s1 ZINC000867514791 684299665 /nfs/dbraw/zinc/29/96/65/684299665.db2.gz FMTZOMBHGIVOGS-KOLCDFICSA-N -1 1 368.383 2.057 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC12CCOCC2 ZINC000867778166 684382217 /nfs/dbraw/zinc/38/22/17/684382217.db2.gz XDKPMXMQWZLIRE-LLVKDONJSA-N -1 1 358.391 2.219 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(C2)CO[C@H](C)C3)cc1F ZINC000907735478 691549831 /nfs/dbraw/zinc/54/98/31/691549831.db2.gz JCTADKRSFBZFJJ-RWWNRMGGSA-N -1 1 358.391 2.278 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000014870012 539607097 /nfs/dbraw/zinc/60/70/97/539607097.db2.gz KAECHYKMPCNNOG-UHFFFAOYSA-N -1 1 370.408 2.108 20 5 FEBDMM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000101579393 543034914 /nfs/dbraw/zinc/03/49/14/543034914.db2.gz SIKDSXFCMIIFHS-UHFFFAOYSA-N -1 1 369.424 2.136 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)ccc1F ZINC000105590176 543177659 /nfs/dbraw/zinc/17/76/59/543177659.db2.gz OYONGCNKJOMIPJ-UHFFFAOYSA-N -1 1 369.374 2.247 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129167018 544094957 /nfs/dbraw/zinc/09/49/57/544094957.db2.gz ODXBEUXBSKHALQ-CDMKHQONSA-N -1 1 360.819 2.484 20 5 FEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134543258 544312341 /nfs/dbraw/zinc/31/23/41/544312341.db2.gz CBXDCMYCUCDEIW-UHFFFAOYSA-N -1 1 367.247 2.170 20 5 FEBDMM Cc1ccc(C)c(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000151283273 544525118 /nfs/dbraw/zinc/52/51/18/544525118.db2.gz YCLFTRJZBIRLHF-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000192005654 328293582 /nfs/dbraw/zinc/29/35/82/328293582.db2.gz JGVLYRLDLDOBAL-LBPRGKRZSA-N -1 1 354.384 2.471 20 5 FEBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000193805213 328396311 /nfs/dbraw/zinc/39/63/11/328396311.db2.gz ZTRIGVJQLAIHBY-LBPRGKRZSA-N -1 1 353.281 2.091 20 5 FEBDMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194633528 328433673 /nfs/dbraw/zinc/43/36/73/328433673.db2.gz AJCILFPMOJXMGD-QFIPXVFZSA-N -1 1 354.409 2.274 20 5 FEBDMM CC(C)(NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000080376536 325129995 /nfs/dbraw/zinc/12/99/95/325129995.db2.gz ZNHHXFVKPJIDFM-UHFFFAOYSA-N -1 1 352.350 2.496 20 5 FEBDMM CC(C)(C)c1nc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cs1 ZINC000130755741 326562645 /nfs/dbraw/zinc/56/26/45/326562645.db2.gz AKHMOFUGOUGWSP-UHFFFAOYSA-N -1 1 350.400 2.422 20 5 FEBDMM CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C ZINC000157256861 326860066 /nfs/dbraw/zinc/86/00/66/326860066.db2.gz IIPHZVQCYBSATI-UHFFFAOYSA-N -1 1 354.388 2.243 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1COc2ccccc21 ZINC000167500992 327085267 /nfs/dbraw/zinc/08/52/67/327085267.db2.gz JBSDRPXGOBVSLV-GXSJLCMTSA-N -1 1 354.409 2.499 20 5 FEBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000157883014 545795181 /nfs/dbraw/zinc/79/51/81/545795181.db2.gz MDTWLFOSBMKNCY-UHFFFAOYSA-N -1 1 350.334 2.030 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000180161984 547061018 /nfs/dbraw/zinc/06/10/18/547061018.db2.gz ZTQKPAWXGDOMBD-UHFFFAOYSA-N -1 1 362.367 2.182 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)c1 ZINC000180820479 547185827 /nfs/dbraw/zinc/18/58/27/547185827.db2.gz CDTVXCQECZMIQH-UHFFFAOYSA-N -1 1 359.367 2.322 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000181071535 547242650 /nfs/dbraw/zinc/24/26/50/547242650.db2.gz WEUAJBUWMNIGTK-UHFFFAOYSA-N -1 1 367.358 2.287 20 5 FEBDMM CCOc1cc2c(cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000484097075 561291488 /nfs/dbraw/zinc/29/14/88/561291488.db2.gz QKEAOPQYOQJPKK-JTQLQIEISA-N -1 1 373.365 2.348 20 5 FEBDMM Cc1cc(Br)c([O-])c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000182919563 547571969 /nfs/dbraw/zinc/57/19/69/547571969.db2.gz QAORGUVYOSSIPY-UHFFFAOYSA-N -1 1 355.148 2.207 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)c1 ZINC000184606743 547853706 /nfs/dbraw/zinc/85/37/06/547853706.db2.gz IJIRWFGMRKISAE-INIZCTEOSA-N -1 1 359.382 2.342 20 5 FEBDMM CC(C)(C)CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000485045426 561311185 /nfs/dbraw/zinc/31/11/85/561311185.db2.gz XSTJPBDOWRXFBX-JTQLQIEISA-N -1 1 362.379 2.292 20 5 FEBDMM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000186210024 548100708 /nfs/dbraw/zinc/10/07/08/548100708.db2.gz IREFSWSKJONDJE-UHFFFAOYSA-N -1 1 369.399 2.376 20 5 FEBDMM O=C(NCC1(c2ccccc2)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186926307 548220940 /nfs/dbraw/zinc/22/09/40/548220940.db2.gz ILGMSMAVZIQXBM-UHFFFAOYSA-N -1 1 357.366 2.174 20 5 FEBDMM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488725357 561395405 /nfs/dbraw/zinc/39/54/05/561395405.db2.gz LWBKZESJRIENMV-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM CC(C)(NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000494436596 561469769 /nfs/dbraw/zinc/46/97/69/561469769.db2.gz QWTFHNNNTQLOSI-UHFFFAOYSA-N -1 1 352.350 2.496 20 5 FEBDMM COc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499272618 561547419 /nfs/dbraw/zinc/54/74/19/561547419.db2.gz LIFDWEVWWKOXSR-UHFFFAOYSA-N -1 1 354.340 2.124 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCOCC2)c1Cl ZINC000289272351 552293272 /nfs/dbraw/zinc/29/32/72/552293272.db2.gz ZRIQZDTVVQFOTI-UHFFFAOYSA-N -1 1 355.199 2.359 20 5 FEBDMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000289528419 552336077 /nfs/dbraw/zinc/33/60/77/552336077.db2.gz LSMWCRSYDUAMDG-HTQZYQBOSA-N -1 1 367.221 2.059 20 5 FEBDMM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000290284043 552453646 /nfs/dbraw/zinc/45/36/46/552453646.db2.gz DNQGLKOZHVBLQA-SNVBAGLBSA-N -1 1 359.304 2.126 20 5 FEBDMM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290414336 552475217 /nfs/dbraw/zinc/47/52/17/552475217.db2.gz RBAAXYNQOISVCZ-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000290724226 552526392 /nfs/dbraw/zinc/52/63/92/552526392.db2.gz KRLGEYLYCHAMDO-MRVPVSSYSA-N -1 1 366.798 2.481 20 5 FEBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290807475 552541998 /nfs/dbraw/zinc/54/19/98/552541998.db2.gz ZFXVGUSWPNFOCX-JTQLQIEISA-N -1 1 363.340 2.015 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1C[C@@H](O)C1 ZINC000295385698 552997673 /nfs/dbraw/zinc/99/76/73/552997673.db2.gz QMIPJHWVZAQJRW-BETUJISGSA-N -1 1 363.395 2.331 20 5 FEBDMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507380842 561727190 /nfs/dbraw/zinc/72/71/90/561727190.db2.gz MJOCKQKXRTVHQT-UONOGXRCSA-N -1 1 355.460 2.444 20 5 FEBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330450021 554123350 /nfs/dbraw/zinc/12/33/50/554123350.db2.gz IFCUNJURPNNQJT-WDEREUQCSA-N -1 1 362.477 2.154 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1[N+](=O)[O-] ZINC000330782965 554170511 /nfs/dbraw/zinc/17/05/11/554170511.db2.gz ZKYZKRZFAZXCRQ-UHFFFAOYSA-N -1 1 368.333 2.293 20 5 FEBDMM O=C(N=c1cc(CCc2ccccc2)[nH][nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610139873 554466893 /nfs/dbraw/zinc/46/68/93/554466893.db2.gz MGKNODUESWORBY-UHFFFAOYSA-N -1 1 353.338 2.456 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC000363796781 555188360 /nfs/dbraw/zinc/18/83/60/555188360.db2.gz DCXXTBIHOGISFP-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COc1ccc(-c2nc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000363796781 555188363 /nfs/dbraw/zinc/18/83/63/555188363.db2.gz DCXXTBIHOGISFP-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H](CO)c2ccccc21 ZINC000364950043 555447847 /nfs/dbraw/zinc/44/78/47/555447847.db2.gz ANTYYDUIPRGTGF-QMTHXVAHSA-N -1 1 366.370 2.233 20 5 FEBDMM O=C(N=c1cc(CCc2ccccc2)[nH][nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618377958 555629570 /nfs/dbraw/zinc/62/95/70/555629570.db2.gz QJGMBJSKBJVCDT-UHFFFAOYSA-N -1 1 353.338 2.456 20 5 FEBDMM CC(=O)c1ccc2c(c1)CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000365792566 555668922 /nfs/dbraw/zinc/66/89/22/555668922.db2.gz QDAMMGMSRDYBFP-UHFFFAOYSA-N -1 1 355.350 2.139 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000371733174 557278155 /nfs/dbraw/zinc/27/81/55/557278155.db2.gz SXHPAPNNSQLVCX-MRXNPFEDSA-N -1 1 365.349 2.137 20 5 FEBDMM COc1ccccc1[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000518380823 562110106 /nfs/dbraw/zinc/11/01/06/562110106.db2.gz AVWKNVIHGKDZQP-AWEZNQCLSA-N -1 1 360.370 2.411 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CC12CC2 ZINC000416648392 559327468 /nfs/dbraw/zinc/32/74/68/559327468.db2.gz OHBHKMGBMITJAG-MRVPVSSYSA-N -1 1 361.217 2.436 20 5 FEBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O ZINC000447344259 560160600 /nfs/dbraw/zinc/16/06/00/560160600.db2.gz WCMIQPPAPBGMTO-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM Cc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000470703019 560987814 /nfs/dbraw/zinc/98/78/14/560987814.db2.gz JEVLJYHFSWDRLQ-UHFFFAOYSA-N -1 1 359.273 2.044 20 5 FEBDMM COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(Cl)c1 ZINC000473557352 561052659 /nfs/dbraw/zinc/05/26/59/561052659.db2.gz WXMPOVYTYJLSCE-UHFFFAOYSA-N -1 1 351.746 2.330 20 5 FEBDMM CC(C)Cc1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000475823855 561106230 /nfs/dbraw/zinc/10/62/30/561106230.db2.gz ASLNOXVPVJSRAJ-UHFFFAOYSA-N -1 1 352.372 2.090 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000532707832 562486238 /nfs/dbraw/zinc/48/62/38/562486238.db2.gz WWHZCOORMYOOLD-SSDOTTSWSA-N -1 1 360.779 2.288 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c([N+](=O)[O-])n1 ZINC000533178500 562500477 /nfs/dbraw/zinc/50/04/77/562500477.db2.gz OEFYOJJOIJZXEC-UHFFFAOYSA-N -1 1 350.400 2.169 20 5 FEBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000533179277 562500527 /nfs/dbraw/zinc/50/05/27/562500527.db2.gz FGKMGVLXOIVKLD-NSHDSACASA-N -1 1 368.415 2.249 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000546538680 562637680 /nfs/dbraw/zinc/63/76/80/562637680.db2.gz NLLZSPVUCXNNQH-UHFFFAOYSA-N -1 1 366.351 2.031 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000569045353 568281222 /nfs/dbraw/zinc/28/12/22/568281222.db2.gz LKXWZMFCFNYSIE-LLVKDONJSA-N -1 1 372.296 2.362 20 5 FEBDMM O=C([O-])N1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000740529500 602246212 /nfs/dbraw/zinc/24/62/12/602246212.db2.gz KJZWNWCTDSDZNM-UHFFFAOYSA-N -1 1 363.351 2.436 20 5 FEBDMM Cc1cc(N2CCN(CCOC(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571926201 602321211 /nfs/dbraw/zinc/32/12/11/602321211.db2.gz LFQMUIIINNFGKC-UHFFFAOYSA-N -1 1 351.403 2.148 20 5 FEBDMM Cc1c(NC(=O)CCN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000740050750 602831523 /nfs/dbraw/zinc/83/15/23/602831523.db2.gz TWWLXYQEEMPLJC-TXEJJXNPSA-N -1 1 364.402 2.304 20 5 FEBDMM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818764 674512289 /nfs/dbraw/zinc/51/22/89/674512289.db2.gz HUAAOHBPXJMSIB-NSHDSACASA-N -1 1 357.215 2.341 20 5 FEBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000809830681 674514210 /nfs/dbraw/zinc/51/42/10/674514210.db2.gz ZIOHBNBNMPGSQG-UHFFFAOYSA-N -1 1 365.198 2.114 20 5 FEBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822865 674513171 /nfs/dbraw/zinc/51/31/71/674513171.db2.gz UZZXMENDZACJQR-BDAKNGLRSA-N -1 1 368.814 2.463 20 5 FEBDMM COc1ccc(OCCN2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829501289 604106224 /nfs/dbraw/zinc/10/62/24/604106224.db2.gz YPWHQZRJXKLGOD-LBPRGKRZSA-N -1 1 353.375 2.056 20 5 FEBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000825264494 604216940 /nfs/dbraw/zinc/21/69/40/604216940.db2.gz KQYRHSZMZMSWAR-NWDGAFQWSA-N -1 1 365.386 2.329 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000833308041 604269867 /nfs/dbraw/zinc/26/98/67/604269867.db2.gz WCMFDIUSUBHQTK-NSHDSACASA-N -1 1 369.805 2.105 20 5 FEBDMM O=C([O-])NCCc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000834244972 605780562 /nfs/dbraw/zinc/78/05/62/605780562.db2.gz JJICOKYJCDTTTO-UHFFFAOYSA-N -1 1 359.338 2.041 20 5 FEBDMM CCC(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820838063 606699440 /nfs/dbraw/zinc/69/94/40/606699440.db2.gz PGRHUTIRLAUORC-UHFFFAOYSA-N -1 1 368.357 2.131 20 5 FEBDMM CCC(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820838063 606699442 /nfs/dbraw/zinc/69/94/42/606699442.db2.gz PGRHUTIRLAUORC-UHFFFAOYSA-N -1 1 368.357 2.131 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC000823621167 606709231 /nfs/dbraw/zinc/70/92/31/606709231.db2.gz XRXSCZGKTHPWPI-CQSZACIVSA-N -1 1 367.369 2.138 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC000823621167 606709232 /nfs/dbraw/zinc/70/92/32/606709232.db2.gz XRXSCZGKTHPWPI-CQSZACIVSA-N -1 1 367.369 2.138 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820280637 606712804 /nfs/dbraw/zinc/71/28/04/606712804.db2.gz LCIYWCXJKVLATG-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820280637 606712805 /nfs/dbraw/zinc/71/28/05/606712805.db2.gz LCIYWCXJKVLATG-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM COc1ccc(O[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821837739 606713317 /nfs/dbraw/zinc/71/33/17/606713317.db2.gz GVUQQSONRUHOGB-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM COc1ccc(O[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821837739 606713318 /nfs/dbraw/zinc/71/33/18/606713318.db2.gz GVUQQSONRUHOGB-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM Cc1ccccc1O[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822366567 606714112 /nfs/dbraw/zinc/71/41/12/606714112.db2.gz NJCBFASHONHNOU-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1ccccc1O[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822366567 606714113 /nfs/dbraw/zinc/71/41/13/606714113.db2.gz NJCBFASHONHNOU-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1ccccc1O[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822366566 606714282 /nfs/dbraw/zinc/71/42/82/606714282.db2.gz NJCBFASHONHNOU-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1ccccc1O[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822366566 606714284 /nfs/dbraw/zinc/71/42/84/606714284.db2.gz NJCBFASHONHNOU-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM COc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821777867 606715546 /nfs/dbraw/zinc/71/55/46/606715546.db2.gz NFVLZOWLGWRIRD-MRVPVSSYSA-N -1 1 359.321 2.491 20 5 FEBDMM COc1ccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821777867 606715547 /nfs/dbraw/zinc/71/55/47/606715547.db2.gz NFVLZOWLGWRIRD-MRVPVSSYSA-N -1 1 359.321 2.491 20 5 FEBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823379649 607106990 /nfs/dbraw/zinc/10/69/90/607106990.db2.gz CBPUWHDBQIWKRP-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823379649 607106992 /nfs/dbraw/zinc/10/69/92/607106992.db2.gz CBPUWHDBQIWKRP-UHFFFAOYSA-N -1 1 351.735 2.137 20 5 FEBDMM O=[N+]([O-])c1ccc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000826498460 607821083 /nfs/dbraw/zinc/82/10/83/607821083.db2.gz VSVPQQVQCCICRI-UHFFFAOYSA-N -1 1 359.327 2.370 20 5 FEBDMM O=[N+]([O-])c1ccc(CSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000826498460 607821084 /nfs/dbraw/zinc/82/10/84/607821084.db2.gz VSVPQQVQCCICRI-UHFFFAOYSA-N -1 1 359.327 2.370 20 5 FEBDMM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826333345 607842010 /nfs/dbraw/zinc/84/20/10/607842010.db2.gz DISNUJXFFPRZBK-CQSZACIVSA-N -1 1 368.401 2.467 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000824670621 607850242 /nfs/dbraw/zinc/85/02/42/607850242.db2.gz SOVCUJMDYZRPRI-BXKDBHETSA-N -1 1 353.342 2.147 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000824670621 607850243 /nfs/dbraw/zinc/85/02/43/607850243.db2.gz SOVCUJMDYZRPRI-BXKDBHETSA-N -1 1 353.342 2.147 20 5 FEBDMM Cc1nc2c(s1)[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000826328404 609566166 /nfs/dbraw/zinc/56/61/66/609566166.db2.gz QENIVHWADZUHEI-SNVBAGLBSA-N -1 1 358.387 2.424 20 5 FEBDMM Cc1nc2c(s1)[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000826328404 609566168 /nfs/dbraw/zinc/56/61/68/609566168.db2.gz QENIVHWADZUHEI-SNVBAGLBSA-N -1 1 358.387 2.424 20 5 FEBDMM Cn1ncc2ccc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc21 ZINC000812513865 674681101 /nfs/dbraw/zinc/68/11/01/674681101.db2.gz XZKUMXJULCDLQG-UHFFFAOYSA-N -1 1 364.358 2.099 20 5 FEBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017630 674897972 /nfs/dbraw/zinc/89/79/72/674897972.db2.gz QUGNRUWKKINSQU-GFCCVEGCSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1 ZINC000815018674 674898634 /nfs/dbraw/zinc/89/86/34/674898634.db2.gz XTSAEWCYOQBEFB-BDAKNGLRSA-N -1 1 366.798 2.217 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815022292 674899814 /nfs/dbraw/zinc/89/98/14/674899814.db2.gz NSHJNXCYAXHEET-NSHDSACASA-N -1 1 354.787 2.337 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000038039668 670139355 /nfs/dbraw/zinc/13/93/55/670139355.db2.gz UFFMRWJKIGGNFZ-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM O=c1[nH]c2cccc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2[nH]1 ZINC000571847837 670931293 /nfs/dbraw/zinc/93/12/93/670931293.db2.gz MYZXDMOYPFFRII-UHFFFAOYSA-N -1 1 362.367 2.161 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000608857764 675905958 /nfs/dbraw/zinc/90/59/58/675905958.db2.gz BAYIDZGXCYSBDJ-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608909165 675906815 /nfs/dbraw/zinc/90/68/15/675906815.db2.gz XWDLLMQJPCVCTN-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000608909048 675906822 /nfs/dbraw/zinc/90/68/22/675906822.db2.gz NZFULDPRVDBHPW-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CC3CCC2CC3)c([N+](=O)[O-])n1 ZINC000577617044 671608479 /nfs/dbraw/zinc/60/84/79/671608479.db2.gz NTUXMYJSYDGTGX-YWPUVAFDSA-N -1 1 356.448 2.304 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000578659688 671681015 /nfs/dbraw/zinc/68/10/15/671681015.db2.gz BOXHYKMPPTWTKV-QFIPXVFZSA-N -1 1 354.409 2.441 20 5 FEBDMM Cc1cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1Cl ZINC000581641244 671920749 /nfs/dbraw/zinc/92/07/49/671920749.db2.gz YUAOWMLNHNDUCV-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124822895 672002549 /nfs/dbraw/zinc/00/25/49/672002549.db2.gz ZFTBVYCAOVGLIS-UONOGXRCSA-N -1 1 362.835 2.468 20 5 FEBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000128775558 672053105 /nfs/dbraw/zinc/05/31/05/672053105.db2.gz DOAIDSHXAIEQRH-JTQLQIEISA-N -1 1 350.824 2.324 20 5 FEBDMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000610590632 675983245 /nfs/dbraw/zinc/98/32/45/675983245.db2.gz IEFZAOZRRIAHNW-UHFFFAOYSA-N -1 1 368.367 2.151 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000161991918 672301139 /nfs/dbraw/zinc/30/11/39/672301139.db2.gz MZUSIWIRYZCKHM-ZDUSSCGKSA-N -1 1 360.407 2.344 20 5 FEBDMM CC(C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(F)F ZINC000594578474 673101953 /nfs/dbraw/zinc/10/19/53/673101953.db2.gz CTBYXCUMRVQNOO-UHFFFAOYSA-N -1 1 366.342 2.078 20 5 FEBDMM Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594800841 673147638 /nfs/dbraw/zinc/14/76/38/673147638.db2.gz HZJWCADNFSKFCX-LLVKDONJSA-N -1 1 353.375 2.347 20 5 FEBDMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000727460090 673170547 /nfs/dbraw/zinc/17/05/47/673170547.db2.gz HVDNMBNMRZSPPG-UHFFFAOYSA-N -1 1 356.379 2.046 20 5 FEBDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000595318524 673223036 /nfs/dbraw/zinc/22/30/36/673223036.db2.gz MVBFQEWBDDFHDK-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM Cc1nc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[n-]c(=O)c1C ZINC000538516390 673444040 /nfs/dbraw/zinc/44/40/40/673444040.db2.gz YEWIRAIJYFFAOU-UHFFFAOYSA-N -1 1 360.395 2.389 20 5 FEBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540424804 673538941 /nfs/dbraw/zinc/53/89/41/673538941.db2.gz YNPKOVYFOBQUHF-VIFPVBQESA-N -1 1 358.383 2.342 20 5 FEBDMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000745522779 673839985 /nfs/dbraw/zinc/83/99/85/673839985.db2.gz NJMLMADDBZQZMB-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000601430302 673861035 /nfs/dbraw/zinc/86/10/35/673861035.db2.gz RVEXPIQIYAJNTR-UHFFFAOYSA-N -1 1 364.370 2.087 20 5 FEBDMM Cc1ccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000820781293 675387241 /nfs/dbraw/zinc/38/72/41/675387241.db2.gz OYQMYQDZJNODCV-UHFFFAOYSA-N -1 1 351.262 2.413 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)nc2)c(-c2nnn[n-]2)c1 ZINC000823652184 675565311 /nfs/dbraw/zinc/56/53/11/675565311.db2.gz WKFUNJAQNIBHHD-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)nc2)c(-c2nn[n-]n2)c1 ZINC000823652184 675565313 /nfs/dbraw/zinc/56/53/13/675565313.db2.gz WKFUNJAQNIBHHD-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=C([N-]c1nn2cnnc2s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000604522456 675805723 /nfs/dbraw/zinc/80/57/23/675805723.db2.gz CHWRACJSWSASSJ-UHFFFAOYSA-N -1 1 373.379 2.470 20 5 FEBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccnn1C ZINC000615946777 676234690 /nfs/dbraw/zinc/23/46/90/676234690.db2.gz HAUFXUGXZBFLPT-JTQLQIEISA-N -1 1 358.445 2.108 20 5 FEBDMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831533077 679999451 /nfs/dbraw/zinc/99/94/51/679999451.db2.gz AXVUVNCKLQNQQY-MRVPVSSYSA-N -1 1 371.242 2.444 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)cc1Cl ZINC000831738419 680035885 /nfs/dbraw/zinc/03/58/85/680035885.db2.gz LZMNSANLUWATSO-SECBINFHSA-N -1 1 360.754 2.007 20 5 FEBDMM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831940553 680064515 /nfs/dbraw/zinc/06/45/15/680064515.db2.gz YBUYXQOHJXHZNV-QMMMGPOBSA-N -1 1 354.787 2.217 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000832175226 680106009 /nfs/dbraw/zinc/10/60/09/680106009.db2.gz PAPYEOSLBAUWPX-UHFFFAOYSA-N -1 1 366.798 2.293 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](C)O ZINC000832308400 680122094 /nfs/dbraw/zinc/12/20/94/680122094.db2.gz CNIQGQURTDMWDT-IMTBSYHQSA-N -1 1 357.215 2.339 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2nccn21 ZINC000832426696 680133216 /nfs/dbraw/zinc/13/32/16/680133216.db2.gz ITUWFTIKJUDCNV-WPRPVWTQSA-N -1 1 356.791 2.429 20 5 FEBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000752454155 680243506 /nfs/dbraw/zinc/24/35/06/680243506.db2.gz UUNYYZMYQURPEU-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])n1 ZINC000754790359 680378434 /nfs/dbraw/zinc/37/84/34/680378434.db2.gz RDILVOCLBZXRPG-UHFFFAOYSA-N -1 1 368.459 2.306 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@](C)(CC)c2ccccc2)c([N+](=O)[O-])n1 ZINC000754806401 680380289 /nfs/dbraw/zinc/38/02/89/680380289.db2.gz XRMPYCGLPDHMQG-OAHLLOKOSA-N -1 1 352.416 2.415 20 5 FEBDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768865434 680962366 /nfs/dbraw/zinc/96/23/66/680962366.db2.gz BDKQZFWFHVMMCN-UHFFFAOYSA-N -1 1 360.344 2.383 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000769908317 681000152 /nfs/dbraw/zinc/00/01/52/681000152.db2.gz OWGVVLCKLMJOEX-ZETCQYMHSA-N -1 1 360.779 2.288 20 5 FEBDMM CC(C)(O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000773009153 681121420 /nfs/dbraw/zinc/12/14/20/681121420.db2.gz KOLRNJVBVUVMGV-UHFFFAOYSA-N -1 1 356.425 2.362 20 5 FEBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000845942555 681164003 /nfs/dbraw/zinc/16/40/03/681164003.db2.gz PYEHNPIJQDSRAH-SNVBAGLBSA-N -1 1 354.215 2.242 20 5 FEBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000845969870 681167043 /nfs/dbraw/zinc/16/70/43/681167043.db2.gz UUZHJGZCHPELGC-LDYMZIIASA-N -1 1 368.814 2.463 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)co1 ZINC000778838771 681654913 /nfs/dbraw/zinc/65/49/13/681654913.db2.gz ZGAYMPCFLKPHSJ-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000918009940 685536417 /nfs/dbraw/zinc/53/64/17/685536417.db2.gz XXUUETZPTXCITI-UHFFFAOYSA-N -1 1 356.260 2.467 20 5 FEBDMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859291587 683074893 /nfs/dbraw/zinc/07/48/93/683074893.db2.gz IVLHIWMQQDPZSO-WPPNPWJKSA-N -1 1 364.782 2.233 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)Cc1ccccc1 ZINC000799829865 683501555 /nfs/dbraw/zinc/50/15/55/683501555.db2.gz IUYFEQQLETXJTK-CYBMUJFWSA-N -1 1 368.386 2.006 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000921577584 683507936 /nfs/dbraw/zinc/50/79/36/683507936.db2.gz LRNJIRHMUOXUDQ-JGVFFNPUSA-N -1 1 374.362 2.435 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)O2)s1 ZINC000921587418 683511431 /nfs/dbraw/zinc/51/14/31/683511431.db2.gz SDCWVEZPQSXWCL-HTQZYQBOSA-N -1 1 374.362 2.435 20 5 FEBDMM O=C([N-]CC1CN(c2c3ccccc3ncc2[N+](=O)[O-])C1)C(F)(F)F ZINC000866294288 684089664 /nfs/dbraw/zinc/08/96/64/684089664.db2.gz NSDSJESSAYKKLU-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM CN1Cc2ccccc2[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000867796646 684389537 /nfs/dbraw/zinc/38/95/37/684389537.db2.gz ZVOSLGZADSZBFW-CQSZACIVSA-N -1 1 365.386 2.199 20 5 FEBDMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069125255 541660709 /nfs/dbraw/zinc/66/07/09/541660709.db2.gz YAXBGZOUHUYISD-SECBINFHSA-N -1 1 358.807 2.330 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000074049882 542029547 /nfs/dbraw/zinc/02/95/47/542029547.db2.gz PHBKYGRPNDNLAD-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1Cl ZINC000079882450 542547034 /nfs/dbraw/zinc/54/70/34/542547034.db2.gz CSTMXMKJSOZJFT-SSDOTTSWSA-N -1 1 355.199 2.359 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000109424391 543324785 /nfs/dbraw/zinc/32/47/85/543324785.db2.gz ACEQQRLGEDURGV-UHFFFAOYSA-N -1 1 351.384 2.470 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000130311918 544146133 /nfs/dbraw/zinc/14/61/33/544146133.db2.gz XSOLZOMEDDGRTK-INIZCTEOSA-N -1 1 359.382 2.342 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000186776316 327981922 /nfs/dbraw/zinc/98/19/22/327981922.db2.gz WJFOZAVXIFILJX-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187171826 328006900 /nfs/dbraw/zinc/00/69/00/328006900.db2.gz GJEIXVPWIJXULZ-LBPRGKRZSA-N -1 1 362.773 2.358 20 5 FEBDMM Cc1ccn(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000151988739 326696246 /nfs/dbraw/zinc/69/62/46/326696246.db2.gz CQTDAIVAECQIFQ-UHFFFAOYSA-N -1 1 353.338 2.120 20 5 FEBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000152820842 326717184 /nfs/dbraw/zinc/71/71/84/326717184.db2.gz VANVDQMNRUNUPV-UHFFFAOYSA-N -1 1 371.227 2.138 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000167224429 327084386 /nfs/dbraw/zinc/08/43/86/327084386.db2.gz PDHWNQCCFFRTEO-BIMULSAOSA-N -1 1 358.441 2.282 20 5 FEBDMM Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000170659872 327092007 /nfs/dbraw/zinc/09/20/07/327092007.db2.gz ADBPDMOHWWDJHO-MRVPVSSYSA-N -1 1 358.807 2.330 20 5 FEBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000173814754 327285933 /nfs/dbraw/zinc/28/59/33/327285933.db2.gz JQQFCBYBXMCHDY-UHFFFAOYSA-N -1 1 357.413 2.101 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000175351421 327388626 /nfs/dbraw/zinc/38/86/26/327388626.db2.gz IJHIERTUNCYCTP-GFCCVEGCSA-N -1 1 354.384 2.471 20 5 FEBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1CCCS1(=O)=O ZINC000265910854 329171857 /nfs/dbraw/zinc/17/18/57/329171857.db2.gz YPHPDUIAJKYMLY-UHFFFAOYSA-N -1 1 364.383 2.024 20 5 FEBDMM CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000478706299 561173317 /nfs/dbraw/zinc/17/33/17/561173317.db2.gz ULFIGPRNCZBFQR-VIFPVBQESA-N -1 1 352.372 2.405 20 5 FEBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000480768775 561216374 /nfs/dbraw/zinc/21/63/74/561216374.db2.gz WKMHTGCHBDBIKL-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000480847732 561218109 /nfs/dbraw/zinc/21/81/09/561218109.db2.gz WIJICCFJZNCNJT-LLVKDONJSA-N -1 1 370.456 2.270 20 5 FEBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000481574558 561236387 /nfs/dbraw/zinc/23/63/87/561236387.db2.gz VPUWKQNUIFQHFP-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000182172671 547448045 /nfs/dbraw/zinc/44/80/45/547448045.db2.gz ZDLHAZNUYXMGFJ-NSHDSACASA-N -1 1 357.370 2.316 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000247024317 549268236 /nfs/dbraw/zinc/26/82/36/549268236.db2.gz NBEVTUIZCGNJPZ-CZUORRHYSA-N -1 1 370.409 2.336 20 5 FEBDMM O=C(NCCc1cccc(C(F)(F)F)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000489158917 561404701 /nfs/dbraw/zinc/40/47/01/561404701.db2.gz AMZBTTPNYAIGCI-UHFFFAOYSA-N -1 1 356.260 2.082 20 5 FEBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000490553811 561435100 /nfs/dbraw/zinc/43/51/00/561435100.db2.gz CRBBGFAOATWQAP-UHFFFAOYSA-N -1 1 350.418 2.057 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 ZINC000268299833 550046351 /nfs/dbraw/zinc/04/63/51/550046351.db2.gz XUPQXFIZSPRVJG-GFCCVEGCSA-N -1 1 370.383 2.171 20 5 FEBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919527 550611056 /nfs/dbraw/zinc/61/10/56/550611056.db2.gz LAQYCUJXIFYFTH-IUCAKERBSA-N -1 1 371.394 2.405 20 5 FEBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000277972010 550734255 /nfs/dbraw/zinc/73/42/55/550734255.db2.gz FEVNPZMULXMESY-FZMZJTMJSA-N -1 1 367.308 2.216 20 5 FEBDMM O=c1nc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000281053018 551058403 /nfs/dbraw/zinc/05/84/03/551058403.db2.gz XNWWSAIMYGCKMT-UHFFFAOYSA-N -1 1 357.292 2.409 20 5 FEBDMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290388356 552471192 /nfs/dbraw/zinc/47/11/92/552471192.db2.gz OTMFPNFDTNSODF-JTQLQIEISA-N -1 1 359.304 2.126 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)cc1Cl ZINC000290807914 552541797 /nfs/dbraw/zinc/54/17/97/552541797.db2.gz RYNJLUSHBTVPQM-MRVPVSSYSA-N -1 1 352.771 2.235 20 5 FEBDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000326432846 553780482 /nfs/dbraw/zinc/78/04/82/553780482.db2.gz SELMWTFKHQIETC-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332246277 554409012 /nfs/dbraw/zinc/40/90/12/554409012.db2.gz BJDOQGDNYOKIMY-MRVPVSSYSA-N -1 1 352.734 2.357 20 5 FEBDMM CSc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000332263294 554412326 /nfs/dbraw/zinc/41/23/26/554412326.db2.gz BMXWWMLYRLJOGI-JTQLQIEISA-N -1 1 364.383 2.425 20 5 FEBDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000515573544 562015647 /nfs/dbraw/zinc/01/56/47/562015647.db2.gz AEHWUAHFMGUOAR-NSHDSACASA-N -1 1 372.381 2.154 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000370601904 556919504 /nfs/dbraw/zinc/91/95/04/556919504.db2.gz LWGVCHPDFRSWFV-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CC(C)c1nccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000370876661 556999053 /nfs/dbraw/zinc/99/90/53/556999053.db2.gz NVDLUIDICRSUQR-LBPRGKRZSA-N -1 1 359.386 2.493 20 5 FEBDMM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347998 557869254 /nfs/dbraw/zinc/86/92/54/557869254.db2.gz DTUMYXCWTPOYOA-CQSZACIVSA-N -1 1 365.386 2.199 20 5 FEBDMM Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375098604 557977758 /nfs/dbraw/zinc/97/77/58/557977758.db2.gz CBEYEYYXBMACQZ-BLLLJJGKSA-N -1 1 370.409 2.254 20 5 FEBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000523730405 562218660 /nfs/dbraw/zinc/21/86/60/562218660.db2.gz SCFKOTDUKQTWQR-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CC(C)(C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000425326306 559696801 /nfs/dbraw/zinc/69/68/01/559696801.db2.gz UPFHMFTWJFUYAN-UHFFFAOYSA-N -1 1 360.370 2.367 20 5 FEBDMM Cc1cc(OC=C([O-])Nc2nc(-c3cccnc3)ns2)ccc1[N+](=O)[O-] ZINC000430782590 559828193 /nfs/dbraw/zinc/82/81/93/559828193.db2.gz JFNXUURTAHTPRZ-UHFFFAOYSA-N -1 1 371.378 2.256 20 5 FEBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cncc(F)c3)[nH]n2)c1 ZINC000434967151 559913450 /nfs/dbraw/zinc/91/34/50/559913450.db2.gz NIEDMBIGZZSKLG-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000436524691 559944293 /nfs/dbraw/zinc/94/42/93/559944293.db2.gz JXGJUPKUXBDQFB-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000472700440 561033283 /nfs/dbraw/zinc/03/32/83/561033283.db2.gz QOBGEUMBBBXSMJ-JTQLQIEISA-N -1 1 362.816 2.322 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000530380141 562409069 /nfs/dbraw/zinc/40/90/69/562409069.db2.gz HKZBEYPHHJAVLT-ZDUSSCGKSA-N -1 1 351.359 2.485 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])n1 ZINC000533634041 562514898 /nfs/dbraw/zinc/51/48/98/562514898.db2.gz YXFRAELIZSAMGB-LLVKDONJSA-N -1 1 370.456 2.270 20 5 FEBDMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000570241314 568465448 /nfs/dbraw/zinc/46/54/48/568465448.db2.gz PGMFPQBYVGNRSN-LLVKDONJSA-N -1 1 365.386 2.279 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)cc1-c1nnn[n-]1 ZINC000826498578 607451269 /nfs/dbraw/zinc/45/12/69/607451269.db2.gz BEFNFADTPFPQIB-MRXNPFEDSA-N -1 1 370.344 2.492 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000826498578 607451271 /nfs/dbraw/zinc/45/12/71/607451271.db2.gz BEFNFADTPFPQIB-MRXNPFEDSA-N -1 1 370.344 2.492 20 5 FEBDMM COc1cc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000831995056 601528731 /nfs/dbraw/zinc/52/87/31/601528731.db2.gz DHNGZYISZXOSJH-WCBMZHEXSA-N -1 1 360.313 2.357 20 5 FEBDMM CCOCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000592979562 602316274 /nfs/dbraw/zinc/31/62/74/602316274.db2.gz QJEUCZHFXSPNJU-ZDUSSCGKSA-N -1 1 351.403 2.148 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740099021 602655635 /nfs/dbraw/zinc/65/56/35/602655635.db2.gz NKFSRVYPCCLXRZ-UHFFFAOYSA-N -1 1 365.367 2.472 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)cc1Cl ZINC000809810256 674511159 /nfs/dbraw/zinc/51/11/59/674511159.db2.gz QNRAOQBPDJWKHE-MRVPVSSYSA-N -1 1 352.771 2.235 20 5 FEBDMM Cc1nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccccc12 ZINC000822444154 606706671 /nfs/dbraw/zinc/70/66/71/606706671.db2.gz DLZQMRGEMBQWLZ-UHFFFAOYSA-N -1 1 363.341 2.034 20 5 FEBDMM Cc1nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccccc12 ZINC000822444154 606706673 /nfs/dbraw/zinc/70/66/73/606706673.db2.gz DLZQMRGEMBQWLZ-UHFFFAOYSA-N -1 1 363.341 2.034 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCN(c2ccccc2)C1 ZINC000823621040 606712003 /nfs/dbraw/zinc/71/20/03/606712003.db2.gz VUXLUEBDAGPRFA-LBPRGKRZSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCN(c2ccccc2)C1 ZINC000823621040 606712009 /nfs/dbraw/zinc/71/20/09/606712009.db2.gz VUXLUEBDAGPRFA-LBPRGKRZSA-N -1 1 366.385 2.251 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000826498109 607841614 /nfs/dbraw/zinc/84/16/14/607841614.db2.gz HTSLTWFUKPFICV-GFCCVEGCSA-N -1 1 366.385 2.108 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826497862 608425308 /nfs/dbraw/zinc/42/53/08/608425308.db2.gz WZRQVYFVOHEXOP-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826497862 608425309 /nfs/dbraw/zinc/42/53/09/608425309.db2.gz WZRQVYFVOHEXOP-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826332696 609312229 /nfs/dbraw/zinc/31/22/29/609312229.db2.gz CZTHETJSHFKNBJ-UHFFFAOYSA-N -1 1 363.341 2.408 20 5 FEBDMM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814994621 674893999 /nfs/dbraw/zinc/89/39/99/674893999.db2.gz VJPZGCJVGXXHDH-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017670 674897943 /nfs/dbraw/zinc/89/79/43/674897943.db2.gz RZYJRDYVAXSGOG-SDBXPKJASA-N -1 1 368.814 2.463 20 5 FEBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815023718 674900195 /nfs/dbraw/zinc/90/01/95/674900195.db2.gz FSTUHXNKBNQEIV-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024887 674900912 /nfs/dbraw/zinc/90/09/12/674900912.db2.gz BQRVUBUXIVQKGD-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC(F)F ZINC000815043441 674905837 /nfs/dbraw/zinc/90/58/37/674905837.db2.gz RWTJTELRKIMBCI-UHFFFAOYSA-N -1 1 362.713 2.295 20 5 FEBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044997 674906438 /nfs/dbraw/zinc/90/64/38/674906438.db2.gz LHCIHJMNLNRBGZ-HZGVNTEJSA-N -1 1 354.812 2.417 20 5 FEBDMM CC(F)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815067072 674909838 /nfs/dbraw/zinc/90/98/38/674909838.db2.gz PTMWTJLCNSBSSN-UHFFFAOYSA-N -1 1 359.148 2.291 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000030530159 670111660 /nfs/dbraw/zinc/11/16/60/670111660.db2.gz WDRGKDANXIVRES-UHFFFAOYSA-N -1 1 352.328 2.194 20 5 FEBDMM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000044414332 670189968 /nfs/dbraw/zinc/18/99/68/670189968.db2.gz ZAYGAIMXTHPNIB-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000107704725 670822419 /nfs/dbraw/zinc/82/24/19/670822419.db2.gz KWSNRKKHUMSGAO-UHFFFAOYSA-N -1 1 369.374 2.396 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000608857455 675905606 /nfs/dbraw/zinc/90/56/06/675905606.db2.gz NMSAGCWOQLJUPH-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119208860 671894452 /nfs/dbraw/zinc/89/44/52/671894452.db2.gz GTBQQQWOCXCPPM-NOZJJQNGSA-N -1 1 350.824 2.324 20 5 FEBDMM CCC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CCOC ZINC000581827370 671938697 /nfs/dbraw/zinc/93/86/97/671938697.db2.gz ONRXCSHCEPAOHE-CQSZACIVSA-N -1 1 351.403 2.230 20 5 FEBDMM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714068 675991245 /nfs/dbraw/zinc/99/12/45/675991245.db2.gz JNHWLDYLNDQEDX-PSASIEDQSA-N -1 1 368.781 2.186 20 5 FEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000158046796 672265470 /nfs/dbraw/zinc/26/54/70/672265470.db2.gz ITEJNEJZGOFLHY-ZETCQYMHSA-N -1 1 369.262 2.387 20 5 FEBDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000159216675 672278860 /nfs/dbraw/zinc/27/88/60/672278860.db2.gz ZGJQHGWAWGBTLH-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC000170551967 672323066 /nfs/dbraw/zinc/32/30/66/672323066.db2.gz SHHQGMKNGXSFQP-UHFFFAOYSA-N -1 1 372.742 2.453 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000611105099 676017458 /nfs/dbraw/zinc/01/74/58/676017458.db2.gz KDMXOMFEFDZHFC-UHFFFAOYSA-N -1 1 372.834 2.376 20 5 FEBDMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000611106588 676017897 /nfs/dbraw/zinc/01/78/97/676017897.db2.gz YCPBQLFRZGLQKN-OLZOCXBDSA-N -1 1 374.463 2.073 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611107292 676018205 /nfs/dbraw/zinc/01/82/05/676018205.db2.gz KWUUXQDPSTXISU-UHFFFAOYSA-N -1 1 366.443 2.457 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CC=CC1 ZINC000592097179 672755154 /nfs/dbraw/zinc/75/51/54/672755154.db2.gz FTECEFDXJCGZDV-CYBMUJFWSA-N -1 1 360.457 2.288 20 5 FEBDMM COC(=O)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000593148917 672882942 /nfs/dbraw/zinc/88/29/42/672882942.db2.gz PUSPLWFBJMSSSL-UHFFFAOYSA-N -1 1 366.355 2.272 20 5 FEBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594748022 673128067 /nfs/dbraw/zinc/12/80/67/673128067.db2.gz YPKQYYWCKBNTAN-UHFFFAOYSA-N -1 1 351.384 2.005 20 5 FEBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540424440 673538878 /nfs/dbraw/zinc/53/88/78/673538878.db2.gz BRRFSDMJJBAATQ-JTQLQIEISA-N -1 1 362.415 2.240 20 5 FEBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000542234921 673568415 /nfs/dbraw/zinc/56/84/15/673568415.db2.gz VRPFKTYOIAWXTK-UHFFFAOYSA-N -1 1 370.314 2.027 20 5 FEBDMM COc1ccc(C(C)(C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1F ZINC000599426523 673674359 /nfs/dbraw/zinc/67/43/59/673674359.db2.gz HFRVKDLERPAVGJ-UHFFFAOYSA-N -1 1 369.374 2.351 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)c([N+](=O)[O-])n1 ZINC000544652819 673723201 /nfs/dbraw/zinc/72/32/01/673723201.db2.gz WKKVLGPDJLHFNR-UHFFFAOYSA-N -1 1 358.807 2.252 20 5 FEBDMM O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548225307 673937865 /nfs/dbraw/zinc/93/78/65/673937865.db2.gz BRAGOKBHNZUFTA-LLVKDONJSA-N -1 1 360.363 2.046 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826467199 675689206 /nfs/dbraw/zinc/68/92/06/675689206.db2.gz LFLZQAJHAVJPKS-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826467199 675689209 /nfs/dbraw/zinc/68/92/09/675689209.db2.gz LFLZQAJHAVJPKS-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872541 676398138 /nfs/dbraw/zinc/39/81/38/676398138.db2.gz VGTKXDYQCMTDKY-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)c1Cl ZINC000830773025 677059899 /nfs/dbraw/zinc/05/98/99/677059899.db2.gz INKDWVAJHLFZLX-JGVFFNPUSA-N -1 1 367.210 2.117 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C)o1 ZINC000763085385 680771825 /nfs/dbraw/zinc/77/18/25/680771825.db2.gz IAJNKUZNPPFFAH-UHFFFAOYSA-N -1 1 358.303 2.223 20 5 FEBDMM CCCC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OCC ZINC000748207074 679941875 /nfs/dbraw/zinc/94/18/75/679941875.db2.gz CTPDTPRSMZYNTG-AWEZNQCLSA-N -1 1 365.411 2.437 20 5 FEBDMM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000832231244 680112960 /nfs/dbraw/zinc/11/29/60/680112960.db2.gz JHOHFWJACBFUCM-BXUZGUMPSA-N -1 1 362.423 2.301 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1 ZINC000751147931 680156423 /nfs/dbraw/zinc/15/64/23/680156423.db2.gz YCRJRYXCEMUPOV-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000754025994 680332074 /nfs/dbraw/zinc/33/20/74/680332074.db2.gz WTRZBHPPLCQMNS-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000754792904 680378776 /nfs/dbraw/zinc/37/87/76/680378776.db2.gz SDRFRFPNMFTNMP-JTQLQIEISA-N -1 1 372.834 2.374 20 5 FEBDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnc1Cl ZINC000759680578 680663586 /nfs/dbraw/zinc/66/35/86/680663586.db2.gz NBZHUNWQHDMDSC-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000841535950 680893981 /nfs/dbraw/zinc/89/39/81/680893981.db2.gz XJEUUMHOWGYKGB-SFYZADRCSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841573036 680900987 /nfs/dbraw/zinc/90/09/87/680900987.db2.gz IZZGJTAROSHYCP-JCJUMFQOSA-N -1 1 355.199 2.093 20 5 FEBDMM COCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768804785 680958882 /nfs/dbraw/zinc/95/88/82/680958882.db2.gz HKTXHHSDPRHPNZ-UHFFFAOYSA-N -1 1 372.424 2.160 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000768865813 680962474 /nfs/dbraw/zinc/96/24/74/680962474.db2.gz KIMSKWIXGKZCFR-PVBMHHQDSA-N -1 1 374.465 2.433 20 5 FEBDMM CC(C)N(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075854 681790076 /nfs/dbraw/zinc/79/00/76/681790076.db2.gz MXQOCAXELVHCDO-UHFFFAOYSA-N -1 1 364.276 2.257 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000788722654 682554096 /nfs/dbraw/zinc/55/40/96/682554096.db2.gz RIUCMLFUZHOHQZ-HUUCEWRRSA-N -1 1 365.411 2.026 20 5 FEBDMM CC(C)(C(=O)Nc1nc(Br)ccc1[O-])n1cc([N+](=O)[O-])cn1 ZINC000790043115 682650952 /nfs/dbraw/zinc/65/09/52/682650952.db2.gz MUUQUKSWVPBUCP-UHFFFAOYSA-N -1 1 370.163 2.028 20 5 FEBDMM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CO2 ZINC000859264667 683068615 /nfs/dbraw/zinc/06/86/15/683068615.db2.gz COJQLJGWRULOFJ-LLVKDONJSA-N -1 1 366.370 2.324 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C1CC=CC1 ZINC000795883023 683103648 /nfs/dbraw/zinc/10/36/48/683103648.db2.gz YBLHILDYLXAMIW-UHFFFAOYSA-N -1 1 365.180 2.493 20 5 FEBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000859422653 683106435 /nfs/dbraw/zinc/10/64/35/683106435.db2.gz UCYNMJPSYAFPSB-OCAPTIKFSA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]12C[C@H]1COC21CCC1 ZINC000908114532 691616762 /nfs/dbraw/zinc/61/67/62/691616762.db2.gz OCJJTSFAOFGDGU-IINYFYTJSA-N -1 1 372.830 2.486 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000030530142 539884072 /nfs/dbraw/zinc/88/40/72/539884072.db2.gz QWJCEVUPEAIVOJ-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031277126 539903439 /nfs/dbraw/zinc/90/34/39/539903439.db2.gz UMTDGYDVRAOYMD-UHFFFAOYSA-N -1 1 367.247 2.170 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000153437444 544775356 /nfs/dbraw/zinc/77/53/56/544775356.db2.gz DTFKMCANJSPPTC-WQHBLYJGSA-N -1 1 360.819 2.340 20 5 FEBDMM O=C(NCc1cc(Br)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186962581 327993655 /nfs/dbraw/zinc/99/36/55/327993655.db2.gz IWTINZZVUIGNOP-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCCO)Cc1cccc(Cl)c1 ZINC000187666797 328038333 /nfs/dbraw/zinc/03/83/33/328038333.db2.gz NQVCOSVFRMEVRU-UHFFFAOYSA-N -1 1 365.773 2.374 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000193717710 328391370 /nfs/dbraw/zinc/39/13/70/328391370.db2.gz YHAKFURXIIRACC-SECBINFHSA-N -1 1 355.310 2.236 20 5 FEBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000088780611 325301757 /nfs/dbraw/zinc/30/17/57/325301757.db2.gz QPXCOUIJCYLPCN-UHFFFAOYSA-N -1 1 353.400 2.495 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245521736 328555308 /nfs/dbraw/zinc/55/53/08/328555308.db2.gz CFLKVEVFBXTQLH-CUOATXAZSA-N -1 1 372.830 2.484 20 5 FEBDMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)o1 ZINC000121901949 326374919 /nfs/dbraw/zinc/37/49/19/326374919.db2.gz UTMYMOZYXXDFPE-HNNXBMFYSA-N -1 1 372.374 2.130 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)o1 ZINC000175349779 327388580 /nfs/dbraw/zinc/38/85/80/327388580.db2.gz FZGSFGNGNDZHKX-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000265101135 329090974 /nfs/dbraw/zinc/09/09/74/329090974.db2.gz DXDSHUARBIGAFJ-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM CC(C)n1c([S-])nnc1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000267145116 329296409 /nfs/dbraw/zinc/29/64/09/329296409.db2.gz YOVXHJXYDRFOOD-UHFFFAOYSA-N -1 1 353.433 2.420 20 5 FEBDMM COc1cc(F)c([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000275082907 330008624 /nfs/dbraw/zinc/00/86/24/330008624.db2.gz FCGXABNMPLJAOF-QMMMGPOBSA-N -1 1 365.317 2.343 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000555128880 674348933 /nfs/dbraw/zinc/34/89/33/674348933.db2.gz ILHSRWDKOQTMCK-UHFFFAOYSA-N -1 1 363.395 2.365 20 5 FEBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)OCO2 ZINC000479784638 561196975 /nfs/dbraw/zinc/19/69/75/561196975.db2.gz FAGUUFIFLIZXDA-UHFFFAOYSA-N -1 1 359.338 2.132 20 5 FEBDMM Cc1ccc(C)c(S(=O)(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481047324 561223790 /nfs/dbraw/zinc/22/37/90/561223790.db2.gz SEBSRPVRJSUXKB-CQSZACIVSA-N -1 1 355.460 2.364 20 5 FEBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179473437 546960944 /nfs/dbraw/zinc/96/09/44/546960944.db2.gz HRIIAALEKCUFKV-NSHDSACASA-N -1 1 357.370 2.316 20 5 FEBDMM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182632853 547524739 /nfs/dbraw/zinc/52/47/39/547524739.db2.gz ZFCTWQXNPUHYHP-UONOGXRCSA-N -1 1 365.292 2.234 20 5 FEBDMM CCCCNC(=O)C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000484765548 561305721 /nfs/dbraw/zinc/30/57/21/561305721.db2.gz BDWIPFQFLOMXDO-UHFFFAOYSA-N -1 1 364.402 2.044 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000279537594 550900801 /nfs/dbraw/zinc/90/08/01/550900801.db2.gz VEGJFWZBBOUVKX-ZETCQYMHSA-N -1 1 355.199 2.216 20 5 FEBDMM CCOc1cc(N2CCN(C(=O)c3cncc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000280255413 550974721 /nfs/dbraw/zinc/97/47/21/550974721.db2.gz JFCXUEDMSPEXEL-UHFFFAOYSA-N -1 1 372.381 2.057 20 5 FEBDMM COCc1ncc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000496057022 561492131 /nfs/dbraw/zinc/49/21/31/561492131.db2.gz XDOHPTHOQZNWCB-UHFFFAOYSA-N -1 1 360.355 2.235 20 5 FEBDMM COCc1ncsc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496131837 561492502 /nfs/dbraw/zinc/49/25/02/561492502.db2.gz YBHHDBKUFUZFLA-UHFFFAOYSA-N -1 1 360.355 2.235 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280795141 551033397 /nfs/dbraw/zinc/03/33/97/551033397.db2.gz OUKXVTXOMWOLLZ-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM Cc1cc(F)c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000282305925 551209096 /nfs/dbraw/zinc/20/90/96/551209096.db2.gz MQEDQPCWLQDMFG-JTQLQIEISA-N -1 1 370.362 2.001 20 5 FEBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000288434675 552152806 /nfs/dbraw/zinc/15/28/06/552152806.db2.gz NONWYGOYKHBZMY-UHFFFAOYSA-N -1 1 363.340 2.015 20 5 FEBDMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000289528422 552336029 /nfs/dbraw/zinc/33/60/29/552336029.db2.gz LSMWCRSYDUAMDG-SFYZADRCSA-N -1 1 367.221 2.059 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c(Cl)cc1Cl ZINC000289828793 552385251 /nfs/dbraw/zinc/38/52/51/552385251.db2.gz LBHLCHMKJBIPEX-JGVFFNPUSA-N -1 1 369.226 2.341 20 5 FEBDMM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290709473 552524379 /nfs/dbraw/zinc/52/43/79/552524379.db2.gz JHEUXFDJLPFRDG-NKWVEPMBSA-N -1 1 357.215 2.197 20 5 FEBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290770858 552535341 /nfs/dbraw/zinc/53/53/41/552535341.db2.gz OLIGNFSQSXNBQF-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM CC(C)(O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295115714 552960466 /nfs/dbraw/zinc/96/04/66/552960466.db2.gz JCCIRMDWWRIYOE-UHFFFAOYSA-N -1 1 357.215 2.341 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1Cl ZINC000295751255 553054304 /nfs/dbraw/zinc/05/43/04/553054304.db2.gz QRAVWXBWRFZEIG-ZETCQYMHSA-N -1 1 355.199 2.359 20 5 FEBDMM C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)C[C@H](C)O1 ZINC000299110611 553516857 /nfs/dbraw/zinc/51/68/57/553516857.db2.gz DZIMIZQHUQCVFK-AOOOYVTPSA-N -1 1 365.415 2.241 20 5 FEBDMM O=C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)N1CCSCC1 ZINC000299714186 553605761 /nfs/dbraw/zinc/60/57/61/553605761.db2.gz WIUHIXKDSYZRKP-UHFFFAOYSA-N -1 1 374.422 2.293 20 5 FEBDMM O=C(NCCNc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302931920 553742038 /nfs/dbraw/zinc/74/20/38/553742038.db2.gz HATXEEDFUUXOIN-UHFFFAOYSA-N -1 1 372.168 2.239 20 5 FEBDMM O=C(NCc1ccc(OC(F)F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000511160961 561859654 /nfs/dbraw/zinc/85/96/54/561859654.db2.gz LSXZQQPREYRSEU-UHFFFAOYSA-N -1 1 357.244 2.366 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366731689 555920178 /nfs/dbraw/zinc/92/01/78/555920178.db2.gz UVTKISKLALYUJE-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000515340432 562005907 /nfs/dbraw/zinc/00/59/07/562005907.db2.gz YEOXYCMXYQUHMC-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM Cc1cc(N2CCCN(Cc3cnn(C)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517746862 562097124 /nfs/dbraw/zinc/09/71/24/562097124.db2.gz FCBXYSSJUQOECB-UHFFFAOYSA-N -1 1 373.413 2.047 20 5 FEBDMM CCOc1ccc2c(c1)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000373881546 557779596 /nfs/dbraw/zinc/77/95/96/557779596.db2.gz JRRNLRVHPLVAKY-CYBMUJFWSA-N -1 1 359.338 2.348 20 5 FEBDMM Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375098608 557977821 /nfs/dbraw/zinc/97/78/21/557977821.db2.gz CBEYEYYXBMACQZ-MLGOLLRUSA-N -1 1 370.409 2.254 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000523529347 562214686 /nfs/dbraw/zinc/21/46/86/562214686.db2.gz OZJZXQIDIRGRSM-UHFFFAOYSA-N -1 1 366.351 2.191 20 5 FEBDMM Cc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000523294885 562210542 /nfs/dbraw/zinc/21/05/42/562210542.db2.gz KGGSYFIKAZSICU-UHFFFAOYSA-N -1 1 358.379 2.325 20 5 FEBDMM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525700443 562252635 /nfs/dbraw/zinc/25/26/35/562252635.db2.gz QHEDVYOHEKJEOL-SECBINFHSA-N -1 1 373.337 2.014 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])n1 ZINC000435810518 559930459 /nfs/dbraw/zinc/93/04/59/559930459.db2.gz SOGYLIWEYJQCPH-LLVKDONJSA-N -1 1 371.444 2.006 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])n1 ZINC000435807060 559930555 /nfs/dbraw/zinc/93/05/55/559930555.db2.gz HLTCTRVZCQMERG-LLVKDONJSA-N -1 1 371.444 2.006 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000443260263 560076608 /nfs/dbraw/zinc/07/66/08/560076608.db2.gz CHEIXVKOKHBGHX-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3F)nc2c1 ZINC000443982314 560098215 /nfs/dbraw/zinc/09/82/15/560098215.db2.gz PSOCYDPXLNADKV-UHFFFAOYSA-N -1 1 368.321 2.228 20 5 FEBDMM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000823651236 599135846 /nfs/dbraw/zinc/13/58/46/599135846.db2.gz IUKNGIKDQNYHOX-UHFFFAOYSA-N -1 1 368.338 2.371 20 5 FEBDMM O=C([O-])c1cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000740090842 600190852 /nfs/dbraw/zinc/19/08/52/600190852.db2.gz VPPKGMDIXLJODF-UHFFFAOYSA-N -1 1 353.290 2.387 20 5 FEBDMM O=C([O-])CCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548248194 600725508 /nfs/dbraw/zinc/72/55/08/600725508.db2.gz RPMZJXQABUQNBI-UHFFFAOYSA-N -1 1 371.198 2.435 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500489 604048507 /nfs/dbraw/zinc/04/85/07/604048507.db2.gz KZGONPVXGWTUBL-OCCSQVGLSA-N -1 1 367.402 2.493 20 5 FEBDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000825264492 604217038 /nfs/dbraw/zinc/21/70/38/604217038.db2.gz KQYRHSZMZMSWAR-NEPJUHHUSA-N -1 1 365.386 2.329 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634199 606644241 /nfs/dbraw/zinc/64/42/41/606644241.db2.gz CMVGKUYSHCSYMS-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCN(c2ccccc2)C1 ZINC000823621011 606698907 /nfs/dbraw/zinc/69/89/07/606698907.db2.gz VOLLRXIGWYRLHU-GFCCVEGCSA-N -1 1 366.385 2.108 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCN(c2ccccc2)C1 ZINC000823621011 606698910 /nfs/dbraw/zinc/69/89/10/606698910.db2.gz VOLLRXIGWYRLHU-GFCCVEGCSA-N -1 1 366.385 2.108 20 5 FEBDMM C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814045653 674814161 /nfs/dbraw/zinc/81/41/61/674814161.db2.gz WVIURJZBXUFWCI-GFCCVEGCSA-N -1 1 364.379 2.309 20 5 FEBDMM COc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000814277207 674829682 /nfs/dbraw/zinc/82/96/82/674829682.db2.gz ZWZXLOUZWUGRJX-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815047871 674907387 /nfs/dbraw/zinc/90/73/87/674907387.db2.gz LNFKDJUYDCTUAP-CYBMUJFWSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815093854 674916152 /nfs/dbraw/zinc/91/61/52/674916152.db2.gz AGGYCLCIONNLLE-AMIZOPFISA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815093857 674916217 /nfs/dbraw/zinc/91/62/17/674916217.db2.gz AGGYCLCIONNLLE-SDBXPKJASA-N -1 1 366.798 2.217 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047670814 670247434 /nfs/dbraw/zinc/24/74/34/670247434.db2.gz VXCOJWAEQQDSDT-UHFFFAOYSA-N -1 1 354.359 2.264 20 5 FEBDMM CC(=O)c1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000571126091 670819712 /nfs/dbraw/zinc/81/97/12/670819712.db2.gz YQMHVTCZEFGWGW-UHFFFAOYSA-N -1 1 352.324 2.009 20 5 FEBDMM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000111640068 670860188 /nfs/dbraw/zinc/86/01/88/670860188.db2.gz QXRJIMUFZNFWNT-LBPRGKRZSA-N -1 1 372.164 2.466 20 5 FEBDMM O=C(NCCc1ccc(OC(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000571982747 670947105 /nfs/dbraw/zinc/94/71/05/670947105.db2.gz QEFAYWYVQLQHRQ-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610267152 675963272 /nfs/dbraw/zinc/96/32/72/675963272.db2.gz FEHXXOMXTNYYDP-GFCCVEGCSA-N -1 1 351.384 2.044 20 5 FEBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000131968686 672093816 /nfs/dbraw/zinc/09/38/16/672093816.db2.gz OWACHTUQLAZPPB-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1 ZINC000171106770 672329523 /nfs/dbraw/zinc/32/95/23/672329523.db2.gz OQWGJAHLXZAZOP-UHFFFAOYSA-N -1 1 369.786 2.165 20 5 FEBDMM CCc1[nH]nc(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])c1[N+](=O)[O-] ZINC000588099217 672449775 /nfs/dbraw/zinc/44/97/75/672449775.db2.gz LOAZTMABYQYRJA-UHFFFAOYSA-N -1 1 368.733 2.278 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906100 672492372 /nfs/dbraw/zinc/49/23/72/672492372.db2.gz LWQDTXBSVLDNRT-UHFFFAOYSA-N -1 1 350.343 2.460 20 5 FEBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)o1 ZINC000590763835 672614622 /nfs/dbraw/zinc/61/46/22/672614622.db2.gz IPTZHJLVKKELLC-UHFFFAOYSA-N -1 1 355.372 2.022 20 5 FEBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194332825 672756439 /nfs/dbraw/zinc/75/64/39/672756439.db2.gz VBUOQCIOASFSQB-UHFFFAOYSA-N -1 1 354.359 2.400 20 5 FEBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000263330047 672931198 /nfs/dbraw/zinc/93/11/98/672931198.db2.gz LHVVADHPNWXESV-NXEZZACHSA-N -1 1 355.778 2.229 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCOC1 ZINC000594696458 673118079 /nfs/dbraw/zinc/11/80/79/673118079.db2.gz OHWAJWHFPRAXJE-IUODEOHRSA-N -1 1 358.416 2.005 20 5 FEBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594748034 673127972 /nfs/dbraw/zinc/12/79/72/673127972.db2.gz YVAXQNSTUAOKOE-UHFFFAOYSA-N -1 1 351.384 2.256 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)s1 ZINC000594804298 673148894 /nfs/dbraw/zinc/14/88/94/673148894.db2.gz WDYOLGABLQYEFF-UHFFFAOYSA-N -1 1 368.440 2.130 20 5 FEBDMM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000594862295 673169246 /nfs/dbraw/zinc/16/92/46/673169246.db2.gz ALYBLTHMAIHRSU-STQMWFEESA-N -1 1 369.443 2.394 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000536701945 673377265 /nfs/dbraw/zinc/37/72/65/673377265.db2.gz YVKPROJJBVYTAR-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM CC(C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548228673 673938387 /nfs/dbraw/zinc/93/83/87/673938387.db2.gz HWOXUVKOBZZKFK-UHFFFAOYSA-N -1 1 371.198 2.291 20 5 FEBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823410392 675551134 /nfs/dbraw/zinc/55/11/34/675551134.db2.gz VAJSNWSIMVSKTO-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823410392 675551136 /nfs/dbraw/zinc/55/11/36/675551136.db2.gz VAJSNWSIMVSKTO-UHFFFAOYSA-N -1 1 361.339 2.072 20 5 FEBDMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828070384 675796197 /nfs/dbraw/zinc/79/61/97/675796197.db2.gz GFTQZIUDVISQRB-IUCAKERBSA-N -1 1 368.814 2.463 20 5 FEBDMM O=C([N-]c1cnoc1)c1ccc([N+](=O)[O-])cc1I ZINC000604567712 675805945 /nfs/dbraw/zinc/80/59/45/675805945.db2.gz VHYXSGMBXIBKAA-UHFFFAOYSA-N -1 1 359.079 2.440 20 5 FEBDMM CC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830657324 677052661 /nfs/dbraw/zinc/05/26/61/677052661.db2.gz AJEXUOXKSPANNR-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM CC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830657326 677052744 /nfs/dbraw/zinc/05/27/44/677052744.db2.gz AJEXUOXKSPANNR-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000761840963 680732764 /nfs/dbraw/zinc/73/27/64/680732764.db2.gz BMTLQSAYRFEEIC-UHFFFAOYSA-N -1 1 369.359 2.225 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(CO)CCC2)c1Cl ZINC000831090439 679921107 /nfs/dbraw/zinc/92/11/07/679921107.db2.gz DJZRYWLCGZGJIL-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831940552 680064338 /nfs/dbraw/zinc/06/43/38/680064338.db2.gz YBUYXQOHJXHZNV-MRVPVSSYSA-N -1 1 354.787 2.217 20 5 FEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2nccn21 ZINC000832426695 680133136 /nfs/dbraw/zinc/13/31/36/680133136.db2.gz ITUWFTIKJUDCNV-WCBMZHEXSA-N -1 1 356.791 2.429 20 5 FEBDMM CCCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000751990381 680216697 /nfs/dbraw/zinc/21/66/97/680216697.db2.gz ZDAFATSEZBXKFB-NSHDSACASA-N -1 1 362.379 2.134 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000841559684 680897783 /nfs/dbraw/zinc/89/77/83/680897783.db2.gz DZKPIHAKZHVKQY-MFKMUULPSA-N -1 1 368.814 2.461 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(C)C ZINC000841562019 680898250 /nfs/dbraw/zinc/89/82/50/680898250.db2.gz TWDAKDZYAPIXNQ-MFKMUULPSA-N -1 1 368.814 2.461 20 5 FEBDMM COc1cc(C)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000768888577 680963650 /nfs/dbraw/zinc/96/36/50/680963650.db2.gz ADYWTGJWVZAQNM-UHFFFAOYSA-N -1 1 372.380 2.472 20 5 FEBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000845942554 681163975 /nfs/dbraw/zinc/16/39/75/681163975.db2.gz PYEHNPIJQDSRAH-JTQLQIEISA-N -1 1 354.215 2.242 20 5 FEBDMM COc1cccc([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000848695560 681604270 /nfs/dbraw/zinc/60/42/70/681604270.db2.gz MUBXMCCAZXFLDB-UHFFFAOYSA-N -1 1 361.320 2.498 20 5 FEBDMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916191180 685522547 /nfs/dbraw/zinc/52/25/47/685522547.db2.gz RMLRSVCFXWYCOL-CQSZACIVSA-N -1 1 365.411 2.292 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000851852848 682162627 /nfs/dbraw/zinc/16/26/27/682162627.db2.gz CJQPAWRKUMWQSU-BYCMXARLSA-N -1 1 366.345 2.490 20 5 FEBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784478380 682230812 /nfs/dbraw/zinc/23/08/12/682230812.db2.gz BLNNQAFPPHAXIT-BDAKNGLRSA-N -1 1 364.807 2.114 20 5 FEBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000790051726 682652366 /nfs/dbraw/zinc/65/23/66/682652366.db2.gz SBZUFASWVLWORK-UHFFFAOYSA-N -1 1 351.702 2.372 20 5 FEBDMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859291963 683075075 /nfs/dbraw/zinc/07/50/75/683075075.db2.gz PPYXBDSVPNAIGC-WPPNPWJKSA-N -1 1 364.782 2.233 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nccs2)cc1Cl ZINC000798225654 683324074 /nfs/dbraw/zinc/32/40/74/683324074.db2.gz FPJUWASFESKGEL-UHFFFAOYSA-N -1 1 351.768 2.322 20 5 FEBDMM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921497577 683485583 /nfs/dbraw/zinc/48/55/83/683485583.db2.gz PYAYMSZUXGLUNG-IMTBSYHQSA-N -1 1 355.199 2.215 20 5 FEBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000549882754 674069129 /nfs/dbraw/zinc/06/91/29/674069129.db2.gz QMJQMOSVSDHCKJ-AWEZNQCLSA-N -1 1 362.835 2.468 20 5 FEBDMM CN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813002 539837829 /nfs/dbraw/zinc/83/78/29/539837829.db2.gz VEFKBARDHJHEHA-UHFFFAOYSA-N -1 1 366.171 2.318 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)s1 ZINC000066333873 541303501 /nfs/dbraw/zinc/30/35/01/541303501.db2.gz JAYVOZKXYTWSHE-UHFFFAOYSA-N -1 1 373.481 2.054 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125343875 543876324 /nfs/dbraw/zinc/87/63/24/543876324.db2.gz PJZQUOMHLIKHRM-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1O ZINC000151939963 544598235 /nfs/dbraw/zinc/59/82/35/544598235.db2.gz NICBYLYSUUTNGW-ZIAGYGMSSA-N -1 1 368.798 2.185 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184617805 327875645 /nfs/dbraw/zinc/87/56/45/327875645.db2.gz LBRUCGKIKHFQSQ-CYBMUJFWSA-N -1 1 354.384 2.303 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000185887220 327937406 /nfs/dbraw/zinc/93/74/06/327937406.db2.gz KRWYVEWEOPIFAR-GOSISDBHSA-N -1 1 355.350 2.010 20 5 FEBDMM Cn1ccnc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186860312 327986962 /nfs/dbraw/zinc/98/69/62/327986962.db2.gz ZZGIEYDQLDNFBC-CQSZACIVSA-N -1 1 371.328 2.087 20 5 FEBDMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000192662232 328331679 /nfs/dbraw/zinc/33/16/79/328331679.db2.gz JSBHENCCFLRNMJ-UHFFFAOYSA-N -1 1 361.329 2.270 20 5 FEBDMM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000101577472 325473307 /nfs/dbraw/zinc/47/33/07/325473307.db2.gz NLMWLRXMKFDVNA-MRVPVSSYSA-N -1 1 367.221 2.061 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000174524916 327332476 /nfs/dbraw/zinc/33/24/76/327332476.db2.gz HTYUOALQEAGUSH-CQSZACIVSA-N -1 1 357.366 2.374 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000266337258 329212860 /nfs/dbraw/zinc/21/28/60/329212860.db2.gz UQTGMGNMHRRPHD-MRVPVSSYSA-N -1 1 367.246 2.141 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c([N+](=O)[O-])c1 ZINC000158586279 545874609 /nfs/dbraw/zinc/87/46/09/545874609.db2.gz RIBDCJUTBCJGTJ-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM Cn1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000193910004 548404442 /nfs/dbraw/zinc/40/44/42/548404442.db2.gz YRPCLLFPFFGUBN-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000245700422 548978539 /nfs/dbraw/zinc/97/85/39/548978539.db2.gz LREXBEWLENPPPB-SUMWQHHRSA-N -1 1 370.409 2.336 20 5 FEBDMM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000488462455 561390236 /nfs/dbraw/zinc/39/02/36/561390236.db2.gz PEFIBRJMPWMAKY-MRVPVSSYSA-N -1 1 367.387 2.165 20 5 FEBDMM O=C(NCCc1ccccc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000490883028 561439611 /nfs/dbraw/zinc/43/96/11/561439611.db2.gz ZYCITLIBOZOUAD-UHFFFAOYSA-N -1 1 366.171 2.430 20 5 FEBDMM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000276962561 550616242 /nfs/dbraw/zinc/61/62/42/550616242.db2.gz PIDWUFNYZNIPDO-IUCAKERBSA-N -1 1 371.394 2.405 20 5 FEBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000276962561 550616243 /nfs/dbraw/zinc/61/62/43/550616243.db2.gz PIDWUFNYZNIPDO-IUCAKERBSA-N -1 1 371.394 2.405 20 5 FEBDMM COc1ccccc1N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277783099 550713551 /nfs/dbraw/zinc/71/35/51/550713551.db2.gz UKQDDYZSKHYARB-UHFFFAOYSA-N -1 1 372.381 2.103 20 5 FEBDMM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288227526 552114378 /nfs/dbraw/zinc/11/43/78/552114378.db2.gz PSURMPXPMIPBMD-JTQLQIEISA-N -1 1 372.385 2.162 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290424210 552477116 /nfs/dbraw/zinc/47/71/16/552477116.db2.gz RZDAUXKOFWWNFK-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298979399 553498312 /nfs/dbraw/zinc/49/83/12/553498312.db2.gz IXERGTISEDJXKH-UHFFFAOYSA-N -1 1 362.379 2.136 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)s1 ZINC000367522129 556072584 /nfs/dbraw/zinc/07/25/84/556072584.db2.gz BRXOWDKMSLYPAD-UHFFFAOYSA-N -1 1 353.425 2.452 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000373348985 557677197 /nfs/dbraw/zinc/67/71/97/557677197.db2.gz QRIJFYYPVQDLKT-GJZGRUSLSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000374905958 557948914 /nfs/dbraw/zinc/94/89/14/557948914.db2.gz AZLCZGLXVPSACS-ZDUSSCGKSA-N -1 1 362.773 2.136 20 5 FEBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376066799 558122304 /nfs/dbraw/zinc/12/23/04/558122304.db2.gz KLZXZDKOZFHHRY-NSHDSACASA-N -1 1 357.370 2.316 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377964719 558453657 /nfs/dbraw/zinc/45/36/57/558453657.db2.gz DXXBFYPMQFSELP-GOSISDBHSA-N -1 1 355.350 2.305 20 5 FEBDMM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392726947 558618728 /nfs/dbraw/zinc/61/87/28/558618728.db2.gz SWBPUVJWSUKPFY-FZMZJTMJSA-N -1 1 360.363 2.046 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000407990624 558636128 /nfs/dbraw/zinc/63/61/28/558636128.db2.gz NUVVUKISXBZOGK-YNEHKIRRSA-N -1 1 356.448 2.448 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)s1 ZINC000410169732 558743862 /nfs/dbraw/zinc/74/38/62/558743862.db2.gz VSBUAOLXFNNSRI-HTQZYQBOSA-N -1 1 356.372 2.485 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000525185327 562242144 /nfs/dbraw/zinc/24/21/44/562242144.db2.gz AHJLNKPTEGQKSN-UHFFFAOYSA-N -1 1 371.415 2.341 20 5 FEBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000412993769 559069446 /nfs/dbraw/zinc/06/94/46/559069446.db2.gz YRHSXWJYTFOCCV-NSHDSACASA-N -1 1 368.440 3.035 20 5 FEBDMM Cc1ccc2c(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn(C)c2c1 ZINC000444894768 560124170 /nfs/dbraw/zinc/12/41/70/560124170.db2.gz JVCTXFFHCLGTFT-UHFFFAOYSA-N -1 1 354.366 2.468 20 5 FEBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445142693 560129806 /nfs/dbraw/zinc/12/98/06/560129806.db2.gz OBDONCZKUHZLPX-UHFFFAOYSA-N -1 1 365.758 3.053 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)s1 ZINC000451896890 560335531 /nfs/dbraw/zinc/33/55/31/560335531.db2.gz GXDZXQPWRKQBQL-RYUDHWBXSA-N -1 1 369.424 2.250 20 5 FEBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@](C)(C(F)(F)F)O1 ZINC000452143589 560353725 /nfs/dbraw/zinc/35/37/25/560353725.db2.gz ASBUSVXJGXQVSE-ZDUSSCGKSA-N -1 1 363.292 2.267 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000463441914 560814607 /nfs/dbraw/zinc/81/46/07/560814607.db2.gz KNEHUUIQLLDDML-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475799514 561105693 /nfs/dbraw/zinc/10/56/93/561105693.db2.gz SFOFNPABCOBCAG-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477054439 561135348 /nfs/dbraw/zinc/13/53/48/561135348.db2.gz ABZQQACOGGUOCD-UHFFFAOYSA-N -1 1 362.415 2.419 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)c([N+](=O)[O-])n1 ZINC000532855120 562490806 /nfs/dbraw/zinc/49/08/06/562490806.db2.gz PIORKEWQQMPDHP-GFCCVEGCSA-N -1 1 352.416 2.468 20 5 FEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535287830 562555103 /nfs/dbraw/zinc/55/51/03/562555103.db2.gz GCURBHRSOXZBEA-UHFFFAOYSA-N -1 1 360.395 2.319 20 5 FEBDMM Cc1nc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[n-]c(=O)c1C ZINC000540714529 562591843 /nfs/dbraw/zinc/59/18/43/562591843.db2.gz VPKDCFILIFHCAC-UHFFFAOYSA-N -1 1 360.395 2.389 20 5 FEBDMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000806633615 674384536 /nfs/dbraw/zinc/38/45/36/674384536.db2.gz YLMTVBWKXJNSSC-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM CN(CCOc1ccccc1F)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825946289 607450674 /nfs/dbraw/zinc/45/06/74/607450674.db2.gz RFOSGSYKHZKYDD-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM CN(CCOc1ccccc1F)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825946289 607450676 /nfs/dbraw/zinc/45/06/76/607450676.db2.gz RFOSGSYKHZKYDD-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)cn21 ZINC000826304848 607452283 /nfs/dbraw/zinc/45/22/83/607452283.db2.gz ARXXFABUBKJTBN-UHFFFAOYSA-N -1 1 350.342 2.343 20 5 FEBDMM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)cn21 ZINC000826304848 607452284 /nfs/dbraw/zinc/45/22/84/607452284.db2.gz ARXXFABUBKJTBN-UHFFFAOYSA-N -1 1 350.342 2.343 20 5 FEBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739066037 601952753 /nfs/dbraw/zinc/95/27/53/601952753.db2.gz WDQZUSWTGNVUDX-MNOVXSKESA-N -1 1 361.358 2.295 20 5 FEBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1(C)C ZINC000809825528 674513452 /nfs/dbraw/zinc/51/34/52/674513452.db2.gz PYNNCTYZMUEXIE-VXGBXAGGSA-N -1 1 366.798 2.479 20 5 FEBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818313 674512085 /nfs/dbraw/zinc/51/20/85/674512085.db2.gz BFEJDTGJLOVSJC-LBPRGKRZSA-N -1 1 354.787 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)cc1Cl ZINC000809841481 674515367 /nfs/dbraw/zinc/51/53/67/674515367.db2.gz KODQKMNKUYFJRT-SECBINFHSA-N -1 1 366.798 2.217 20 5 FEBDMM COc1ccc(OCCN2CCC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500009 604043785 /nfs/dbraw/zinc/04/37/85/604043785.db2.gz DXZYIOILKUVEQZ-LBPRGKRZSA-N -1 1 353.375 2.056 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(C3CCOCC3)CC2)cc1Cl ZINC000833307732 604271393 /nfs/dbraw/zinc/27/13/93/604271393.db2.gz RLJHYDWIZKQVLX-UHFFFAOYSA-N -1 1 369.805 2.247 20 5 FEBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000823294571 606195973 /nfs/dbraw/zinc/19/59/73/606195973.db2.gz HQSAQLPLJTXQTK-UHFFFAOYSA-N -1 1 360.717 2.386 20 5 FEBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(-c2nn[nH]n2)s1 ZINC000823299495 606501012 /nfs/dbraw/zinc/50/10/12/606501012.db2.gz ZOXXQTDENWRDCI-UHFFFAOYSA-N -1 1 352.282 2.367 20 5 FEBDMM CCN(CC)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821197971 606698012 /nfs/dbraw/zinc/69/80/12/606698012.db2.gz PWWGENRFYJHWKL-UHFFFAOYSA-N -1 1 369.389 2.023 20 5 FEBDMM CCN(CC)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821197971 606698014 /nfs/dbraw/zinc/69/80/14/606698014.db2.gz PWWGENRFYJHWKL-UHFFFAOYSA-N -1 1 369.389 2.023 20 5 FEBDMM C[C@H]1c2ccccc2OCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820826922 606704980 /nfs/dbraw/zinc/70/49/80/606704980.db2.gz OVFKHDKQSCLXKK-JTQLQIEISA-N -1 1 353.342 2.130 20 5 FEBDMM C[C@H]1c2ccccc2OCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820826922 606704981 /nfs/dbraw/zinc/70/49/81/606704981.db2.gz OVFKHDKQSCLXKK-JTQLQIEISA-N -1 1 353.342 2.130 20 5 FEBDMM CC(C)c1nc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC000820203096 606706436 /nfs/dbraw/zinc/70/64/36/606706436.db2.gz PPGACRSNFZXPRY-UHFFFAOYSA-N -1 1 360.403 2.404 20 5 FEBDMM CC(C)c1nc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC000820203096 606706437 /nfs/dbraw/zinc/70/64/37/606706437.db2.gz PPGACRSNFZXPRY-UHFFFAOYSA-N -1 1 360.403 2.404 20 5 FEBDMM COc1c(C)cc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000821698311 606706734 /nfs/dbraw/zinc/70/67/34/606706734.db2.gz FAOHXPKTBHMRBY-UHFFFAOYSA-N -1 1 369.385 2.432 20 5 FEBDMM COc1c(C)cc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC000821698311 606706736 /nfs/dbraw/zinc/70/67/36/606706736.db2.gz FAOHXPKTBHMRBY-UHFFFAOYSA-N -1 1 369.385 2.432 20 5 FEBDMM O=c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000823665822 606713104 /nfs/dbraw/zinc/71/31/04/606713104.db2.gz YMFJCAJJHDIADT-UHFFFAOYSA-N -1 1 364.325 2.036 20 5 FEBDMM O=c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000823665822 606713106 /nfs/dbraw/zinc/71/31/06/606713106.db2.gz YMFJCAJJHDIADT-UHFFFAOYSA-N -1 1 364.325 2.036 20 5 FEBDMM C[C@@H](O)C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473650 606719059 /nfs/dbraw/zinc/71/90/59/606719059.db2.gz IPLYPJWPIVHBNW-YPMHNXCESA-N -1 1 369.385 2.137 20 5 FEBDMM C[C@@H](O)C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473650 606719060 /nfs/dbraw/zinc/71/90/60/606719060.db2.gz IPLYPJWPIVHBNW-YPMHNXCESA-N -1 1 369.385 2.137 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1c[nH]c2ccccc12 ZINC000823624923 607162026 /nfs/dbraw/zinc/16/20/26/607162026.db2.gz KZMMDJDGWOEADB-UHFFFAOYSA-N -1 1 350.342 2.306 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1c[nH]c2ccccc12 ZINC000823624923 607162028 /nfs/dbraw/zinc/16/20/28/607162028.db2.gz KZMMDJDGWOEADB-UHFFFAOYSA-N -1 1 350.342 2.306 20 5 FEBDMM CCOc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821416564 607162681 /nfs/dbraw/zinc/16/26/81/607162681.db2.gz AJEGNFJRMZBEGK-UHFFFAOYSA-N -1 1 355.358 2.205 20 5 FEBDMM CCOc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821416564 607162683 /nfs/dbraw/zinc/16/26/83/607162683.db2.gz AJEGNFJRMZBEGK-UHFFFAOYSA-N -1 1 355.358 2.205 20 5 FEBDMM C[C@H](COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[N+](=O)[O-] ZINC000813107394 674720444 /nfs/dbraw/zinc/72/04/44/674720444.db2.gz PZMVIQWWJANOFN-GFCCVEGCSA-N -1 1 364.379 2.309 20 5 FEBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022703 674899827 /nfs/dbraw/zinc/89/98/27/674899827.db2.gz WPKZWHFNZFPUKI-BDAKNGLRSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026039 674901384 /nfs/dbraw/zinc/90/13/84/674901384.db2.gz BQJRFWOIHCGIEB-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000080310740 670622499 /nfs/dbraw/zinc/62/24/99/670622499.db2.gz ZVMJTTBLIIJXFP-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM COCc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1F ZINC000107702496 670821919 /nfs/dbraw/zinc/82/19/19/670821919.db2.gz ILHMUJWBMRNVIT-UHFFFAOYSA-N -1 1 372.349 2.498 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000112090685 670865874 /nfs/dbraw/zinc/86/58/74/670865874.db2.gz WILIIKYWJMZJOG-SNVBAGLBSA-N -1 1 367.358 2.039 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(C)C ZINC000841562017 680898256 /nfs/dbraw/zinc/89/82/56/680898256.db2.gz TWDAKDZYAPIXNQ-GWCFXTLKSA-N -1 1 368.814 2.461 20 5 FEBDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123759873 671985182 /nfs/dbraw/zinc/98/51/82/671985182.db2.gz NVEVNWYHSCVKEU-JTQLQIEISA-N -1 1 350.824 2.325 20 5 FEBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000129130875 672057466 /nfs/dbraw/zinc/05/74/66/672057466.db2.gz MOYYGVCSFDFTAA-SSDOTTSWSA-N -1 1 369.262 2.387 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000179304465 672400860 /nfs/dbraw/zinc/40/08/60/672400860.db2.gz ZTLLDRRFWFQSTA-UHFFFAOYSA-N -1 1 354.388 2.361 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1[N+](=O)[O-] ZINC000589594242 672533443 /nfs/dbraw/zinc/53/34/43/672533443.db2.gz MIUQGBJZFNULRD-UHFFFAOYSA-N -1 1 366.277 2.146 20 5 FEBDMM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590165517 672563039 /nfs/dbraw/zinc/56/30/39/672563039.db2.gz CDTIIKLRXQMVCQ-SSDOTTSWSA-N -1 1 355.185 2.384 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000194342199 672757051 /nfs/dbraw/zinc/75/70/51/672757051.db2.gz GEMFGTKGJBIJFZ-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000725822095 673092730 /nfs/dbraw/zinc/09/27/30/673092730.db2.gz SBJOCYUIOMDQOU-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594769227 673136161 /nfs/dbraw/zinc/13/61/61/673136161.db2.gz FBGVGBZCIPWPOJ-AWEZNQCLSA-N -1 1 365.411 2.028 20 5 FEBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594769228 673136169 /nfs/dbraw/zinc/13/61/69/673136169.db2.gz FBGVGBZCIPWPOJ-CQSZACIVSA-N -1 1 365.411 2.028 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)s1 ZINC000595379730 673237928 /nfs/dbraw/zinc/23/79/28/673237928.db2.gz GVWFLWCPHUNROK-ZLKJLUDKSA-N -1 1 354.384 2.412 20 5 FEBDMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000537385269 673387156 /nfs/dbraw/zinc/38/71/56/673387156.db2.gz WSWGPQOHUWQMAT-LLVKDONJSA-N -1 1 362.773 2.358 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccco1 ZINC000598604648 673588828 /nfs/dbraw/zinc/58/88/28/673588828.db2.gz OTTLLNHQHIUDRL-GFCCVEGCSA-N -1 1 354.384 2.471 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000599235314 673645664 /nfs/dbraw/zinc/64/56/64/673645664.db2.gz VQDHSPSKALTDEA-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000599315558 673657646 /nfs/dbraw/zinc/65/76/46/673657646.db2.gz LWDYBOQXCYBHNV-SNVBAGLBSA-N -1 1 350.400 2.245 20 5 FEBDMM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000742338060 673723904 /nfs/dbraw/zinc/72/39/04/673723904.db2.gz KETKCZFXYQTYOJ-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM C[C@@H]1CC[C@](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000548556948 673971232 /nfs/dbraw/zinc/97/12/32/673971232.db2.gz QWQTUZYWKQELAG-MEBBXXQBSA-N -1 1 374.390 2.293 20 5 FEBDMM O=C([O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000548836945 674000103 /nfs/dbraw/zinc/00/01/03/674000103.db2.gz FEHBRNQVVLQCBA-UHFFFAOYSA-N -1 1 369.182 2.187 20 5 FEBDMM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000566543894 675222769 /nfs/dbraw/zinc/22/27/69/675222769.db2.gz KNMOQKQVWDSHIX-SNVBAGLBSA-N -1 1 369.374 2.047 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)s1 ZINC000762521171 680752238 /nfs/dbraw/zinc/75/22/38/680752238.db2.gz CFEROMCVOQEEPC-VHSKPIJISA-N -1 1 366.511 2.314 20 5 FEBDMM O=C(Cc1sc(N2CCC2)nc1[O-])Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840701783 680838906 /nfs/dbraw/zinc/83/89/06/680838906.db2.gz NUCBAQBDONHPKC-LLVKDONJSA-N -1 1 368.802 2.281 20 5 FEBDMM C[C@@H](O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831307778 679964145 /nfs/dbraw/zinc/96/41/45/679964145.db2.gz FOPLHXJGGGMOIY-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCn3ccnc32)cc1Cl ZINC000831738420 680035717 /nfs/dbraw/zinc/03/57/17/680035717.db2.gz LZMNSANLUWATSO-VIFPVBQESA-N -1 1 360.754 2.007 20 5 FEBDMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831844787 680051455 /nfs/dbraw/zinc/05/14/55/680051455.db2.gz UAROEQMEBWFWRX-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831844784 680051549 /nfs/dbraw/zinc/05/15/49/680051549.db2.gz UAROEQMEBWFWRX-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000832524452 680143894 /nfs/dbraw/zinc/14/38/94/680143894.db2.gz OJKPSBLAFOHJKZ-WPPNPWJKSA-N -1 1 366.798 2.479 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000754802709 680379823 /nfs/dbraw/zinc/37/98/23/680379823.db2.gz IZRVBYMUDXJOGF-UHFFFAOYSA-N -1 1 356.379 2.164 20 5 FEBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841554090 680896783 /nfs/dbraw/zinc/89/67/83/680896783.db2.gz JXSCOZCMXCHZQD-QMMMGPOBSA-N -1 1 354.787 2.338 20 5 FEBDMM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834177 680960265 /nfs/dbraw/zinc/96/02/65/680960265.db2.gz PYQDQSQMWWWZTM-LBPRGKRZSA-N -1 1 354.413 2.111 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)co1 ZINC000778838770 681654959 /nfs/dbraw/zinc/65/49/59/681654959.db2.gz ZGAYMPCFLKPHSJ-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CO1 ZINC000849412515 681720979 /nfs/dbraw/zinc/72/09/79/681720979.db2.gz PRVKKJANEIDJMH-SSDOTTSWSA-N -1 1 352.771 2.233 20 5 FEBDMM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)on1 ZINC000851812260 682143859 /nfs/dbraw/zinc/14/38/59/682143859.db2.gz CTJBDAFIDCPMFP-UHFFFAOYSA-N -1 1 361.763 2.032 20 5 FEBDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851854474 682163551 /nfs/dbraw/zinc/16/35/51/682163551.db2.gz SFKRAHZRLNWBHC-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C([O-])c1coc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000785701262 682318671 /nfs/dbraw/zinc/31/86/71/682318671.db2.gz CKTVXLJVFWMMEP-UHFFFAOYSA-N -1 1 360.731 2.018 20 5 FEBDMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420722 682742004 /nfs/dbraw/zinc/74/20/04/682742004.db2.gz BCGAKVDXJHYOSM-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]O[C@H]1CCCCO1 ZINC000865081427 683933197 /nfs/dbraw/zinc/93/31/97/683933197.db2.gz LFPWWHSTNAOPFD-ZDUSSCGKSA-N -1 1 359.176 2.474 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2SCCS2)cc1F ZINC000867530953 684306045 /nfs/dbraw/zinc/30/60/45/684306045.db2.gz KXEQLAYNGLXSAW-UHFFFAOYSA-N -1 1 352.434 2.127 20 5 FEBDMM CN1Cc2ccccc2[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000867796645 684389367 /nfs/dbraw/zinc/38/93/67/684389367.db2.gz ZVOSLGZADSZBFW-AWEZNQCLSA-N -1 1 365.386 2.199 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000867880993 684416673 /nfs/dbraw/zinc/41/66/73/684416673.db2.gz FMZIYJNLOCTCDB-WCQYABFASA-N -1 1 358.391 2.136 20 5 FEBDMM O=C([O-])[C@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCc2ccccc21 ZINC000610845869 939807789 /nfs/dbraw/zinc/80/77/89/939807789.db2.gz CSKAPMFAUNLQLN-SFHVURJKSA-N -1 1 366.333 2.127 20 5 FEBDMM COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000028782916 539837379 /nfs/dbraw/zinc/83/73/79/539837379.db2.gz YVXRWCSKNYGAEB-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000041628798 540028405 /nfs/dbraw/zinc/02/84/05/540028405.db2.gz ZIQRVSXFGRVTSG-UHFFFAOYSA-N -1 1 366.399 2.342 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)s1 ZINC000064245226 541196956 /nfs/dbraw/zinc/19/69/56/541196956.db2.gz UYYNBYPMMWNKNW-UHFFFAOYSA-N -1 1 368.440 2.130 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000067539188 541477187 /nfs/dbraw/zinc/47/71/87/541477187.db2.gz HQOSSAFMGMEKAK-UHFFFAOYSA-N -1 1 368.342 2.398 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000125417974 543880777 /nfs/dbraw/zinc/88/07/77/543880777.db2.gz UFKZIBRICXPTPR-GFCCVEGCSA-N -1 1 370.814 2.303 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@@H](c2nccc(C)n2)C2CC2)cc1[N+](=O)[O-] ZINC000126191509 543923201 /nfs/dbraw/zinc/92/32/01/543923201.db2.gz WRVNLLZBFPOLKE-CYBMUJFWSA-N -1 1 368.440 2.493 20 5 FEBDMM Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000130956929 544172335 /nfs/dbraw/zinc/17/23/35/544172335.db2.gz ACLLIYIOMVYMPC-UHFFFAOYSA-N -1 1 371.328 2.259 20 5 FEBDMM O=C(NCc1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188299805 328079107 /nfs/dbraw/zinc/07/91/07/328079107.db2.gz CTCSTSAMHHPJMJ-UHFFFAOYSA-N -1 1 352.144 2.388 20 5 FEBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191793920 328282308 /nfs/dbraw/zinc/28/23/08/328282308.db2.gz BLLGYGCOGVGUFK-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM C[C@H](O)[C@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000192066374 328297829 /nfs/dbraw/zinc/29/78/29/328297829.db2.gz KVVUDJFKWMXJGB-SGTLLEGYSA-N -1 1 359.382 2.055 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C ZINC000102862816 325500216 /nfs/dbraw/zinc/50/02/16/325500216.db2.gz ORBIMCJZQBFSQU-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000107309838 325624207 /nfs/dbraw/zinc/62/42/07/325624207.db2.gz ONZIOXBEOFVFRB-UHFFFAOYSA-N -1 1 359.791 2.374 20 5 FEBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000160469941 326966834 /nfs/dbraw/zinc/96/68/34/326966834.db2.gz UEFSIDPDCNVRFW-UHFFFAOYSA-N -1 1 369.381 2.209 20 5 FEBDMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000270803974 329633338 /nfs/dbraw/zinc/63/33/38/329633338.db2.gz MKHHTTZIDAQBSH-UHFFFAOYSA-N -1 1 372.381 2.413 20 5 FEBDMM CCOC(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000276320128 330140446 /nfs/dbraw/zinc/14/04/46/330140446.db2.gz GWSTXKBFWLIIGF-UHFFFAOYSA-N -1 1 366.823 2.316 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281825436 330177565 /nfs/dbraw/zinc/17/75/65/330177565.db2.gz VZZOZSASEFQMNU-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000555410654 674359747 /nfs/dbraw/zinc/35/97/47/674359747.db2.gz GUJRLWYIAVZXNU-UHFFFAOYSA-N -1 1 372.834 2.376 20 5 FEBDMM CCCCn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000160198263 546017188 /nfs/dbraw/zinc/01/71/88/546017188.db2.gz TYZZHNOZPYPBOK-UHFFFAOYSA-N -1 1 354.388 2.406 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c([N+](=O)[O-])n1 ZINC000480853264 561218234 /nfs/dbraw/zinc/21/82/34/561218234.db2.gz POPJCNAWTBSZGQ-UHFFFAOYSA-N -1 1 350.400 2.167 20 5 FEBDMM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000481086748 561224987 /nfs/dbraw/zinc/22/49/87/561224987.db2.gz UAROWWSJXPORBA-UHFFFAOYSA-N -1 1 352.354 2.304 20 5 FEBDMM COC(=O)c1ccc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)o1 ZINC000485950142 561333246 /nfs/dbraw/zinc/33/32/46/561333246.db2.gz ILRPDLAQSBLIDM-UHFFFAOYSA-N -1 1 362.294 2.322 20 5 FEBDMM CN(CCOc1ccc(Cl)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186756364 548186314 /nfs/dbraw/zinc/18/63/14/548186314.db2.gz VEOKHICOMXVOFR-UHFFFAOYSA-N -1 1 351.746 2.500 20 5 FEBDMM O=C(NCc1nc2ccccc2n1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193995641 548419242 /nfs/dbraw/zinc/41/92/42/548419242.db2.gz DGUNFQAJMOGZPE-UHFFFAOYSA-N -1 1 353.338 2.310 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000246731386 549198717 /nfs/dbraw/zinc/19/87/17/549198717.db2.gz DTFKMCANJSPPTC-BZHVJNSISA-N -1 1 360.819 2.340 20 5 FEBDMM CC(C)c1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[nH]n1 ZINC000268426034 550063148 /nfs/dbraw/zinc/06/31/48/550063148.db2.gz RBXYBZIXMLRWIE-UHFFFAOYSA-N -1 1 368.371 2.013 20 5 FEBDMM Cc1c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000281591423 551117284 /nfs/dbraw/zinc/11/72/84/551117284.db2.gz CJCAVMDVMJVRLT-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282565397 551246851 /nfs/dbraw/zinc/24/68/51/551246851.db2.gz UPDWAZKKLDDFPU-UHFFFAOYSA-N -1 1 362.411 2.435 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282850674 551277610 /nfs/dbraw/zinc/27/76/10/551277610.db2.gz SBIWMIWANVZBQP-LBPRGKRZSA-N -1 1 371.397 2.248 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000498020680 561514014 /nfs/dbraw/zinc/51/40/14/561514014.db2.gz QOTZEUZHKWUNTN-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1[N+](=O)[O-] ZINC000284968737 551679276 /nfs/dbraw/zinc/67/92/76/551679276.db2.gz DVFVHRMCRGJEQT-UHFFFAOYSA-N -1 1 366.395 2.465 20 5 FEBDMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290859583 552551157 /nfs/dbraw/zinc/55/11/57/552551157.db2.gz XFBKGBAKZVNFLQ-ZETCQYMHSA-N -1 1 357.215 2.198 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291461357 552626691 /nfs/dbraw/zinc/62/66/91/552626691.db2.gz PAXAAAXAXYLMRN-GFCCVEGCSA-N -1 1 373.331 2.054 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291472251 552628007 /nfs/dbraw/zinc/62/80/07/552628007.db2.gz QNHGJUINGIENFB-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)C[C@H](C)O1 ZINC000299110624 553516967 /nfs/dbraw/zinc/51/69/67/553516967.db2.gz DZIMIZQHUQCVFK-UWVGGRQHSA-N -1 1 365.415 2.241 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000331705574 554311836 /nfs/dbraw/zinc/31/18/36/554311836.db2.gz CLRHMAPMLNFAPU-QMTHXVAHSA-N -1 1 350.400 2.023 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000511032508 561854369 /nfs/dbraw/zinc/85/43/69/561854369.db2.gz PBFDLTWZIWDYDY-UONOGXRCSA-N -1 1 364.427 2.426 20 5 FEBDMM Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000516475896 562044299 /nfs/dbraw/zinc/04/42/99/562044299.db2.gz NRSBMQLIQRPHIG-AWEZNQCLSA-N -1 1 363.414 2.150 20 5 FEBDMM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000376457259 558175966 /nfs/dbraw/zinc/17/59/66/558175966.db2.gz DFXDCTYNWWPWIF-NSHDSACASA-N -1 1 370.456 2.270 20 5 FEBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000525185210 562242146 /nfs/dbraw/zinc/24/21/46/562242146.db2.gz QEJWITFAUOSLJY-HNNXBMFYSA-N -1 1 363.395 2.428 20 5 FEBDMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525697312 562252447 /nfs/dbraw/zinc/25/24/47/562252447.db2.gz GMOTXTSCZJFKCU-GFCCVEGCSA-N -1 1 351.384 2.044 20 5 FEBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000412993767 559069596 /nfs/dbraw/zinc/06/95/96/559069596.db2.gz YRHSXWJYTFOCCV-LLVKDONJSA-N -1 1 368.440 3.035 20 5 FEBDMM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416579231 559322979 /nfs/dbraw/zinc/32/29/79/559322979.db2.gz NVYKFSKSBNJPAD-RISCZKNCSA-N -1 1 354.409 2.247 20 5 FEBDMM NS(=O)(=O)c1cncc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000427457842 559755851 /nfs/dbraw/zinc/75/58/51/559755851.db2.gz FYQFEDLCINOKSI-UHFFFAOYSA-N -1 1 352.375 2.198 20 5 FEBDMM COc1ccncc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431591517 559841974 /nfs/dbraw/zinc/84/19/74/559841974.db2.gz FDCLSJYMURRQFD-UHFFFAOYSA-N -1 1 357.775 2.130 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(OCCCc2ccccc2)C1 ZINC000431703015 559844373 /nfs/dbraw/zinc/84/43/73/559844373.db2.gz FBDNMKNEAUSTBC-UHFFFAOYSA-N -1 1 357.366 2.169 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)cc1 ZINC000436990397 559958735 /nfs/dbraw/zinc/95/87/35/559958735.db2.gz RKMLUPXJJDUVAY-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000443260262 560076530 /nfs/dbraw/zinc/07/65/30/560076530.db2.gz CHEIXVKOKHBGHX-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000444967800 560125835 /nfs/dbraw/zinc/12/58/35/560125835.db2.gz QEPNUBAMMFSXJB-QMMMGPOBSA-N -1 1 367.387 2.165 20 5 FEBDMM CCOC(=O)CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000445130126 560129411 /nfs/dbraw/zinc/12/94/11/560129411.db2.gz AXPTWMNZEWOUCF-UHFFFAOYSA-N -1 1 365.386 2.329 20 5 FEBDMM CO[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000469287304 560951760 /nfs/dbraw/zinc/95/17/60/560951760.db2.gz LSTYNNZURCETPP-QMMMGPOBSA-N -1 1 362.351 2.210 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475838133 561106707 /nfs/dbraw/zinc/10/67/07/561106707.db2.gz WZSWTGXIEOCWTO-UHFFFAOYSA-N -1 1 366.399 2.398 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000569308773 568361460 /nfs/dbraw/zinc/36/14/60/568361460.db2.gz FBZBSBDDFIRMBV-PGUXBMHVSA-N -1 1 363.395 2.221 20 5 FEBDMM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826299254 607450685 /nfs/dbraw/zinc/45/06/85/607450685.db2.gz XJQLFIAYTYIBCL-UHFFFAOYSA-N -1 1 365.397 2.410 20 5 FEBDMM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826299254 607450687 /nfs/dbraw/zinc/45/06/87/607450687.db2.gz XJQLFIAYTYIBCL-UHFFFAOYSA-N -1 1 365.397 2.410 20 5 FEBDMM CN(C[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)C(=O)[O-] ZINC000739662885 602523374 /nfs/dbraw/zinc/52/33/74/602523374.db2.gz AOQLEWQNIWOFJW-ZDUSSCGKSA-N -1 1 359.386 2.348 20 5 FEBDMM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818983 674512258 /nfs/dbraw/zinc/51/22/58/674512258.db2.gz LODYPHPHBGGYBR-UHFFFAOYSA-N -1 1 354.787 2.217 20 5 FEBDMM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809824206 674513197 /nfs/dbraw/zinc/51/31/97/674513197.db2.gz KVIWWOWALSUTRL-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809829026 674513847 /nfs/dbraw/zinc/51/38/47/674513847.db2.gz XTBLZKXISHQEOS-NSHDSACASA-N -1 1 355.199 2.359 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)cc1Cl ZINC000809834595 674514686 /nfs/dbraw/zinc/51/46/86/674514686.db2.gz BYTSGEOEIRHMHO-QMMMGPOBSA-N -1 1 350.755 2.358 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccnc2F)cc1Cl ZINC000809841661 674515673 /nfs/dbraw/zinc/51/56/73/674515673.db2.gz RPISOUZGIGKUJN-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM CCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000821476937 606295401 /nfs/dbraw/zinc/29/54/01/606295401.db2.gz VMDPHPSUCWWOSP-UHFFFAOYSA-N -1 1 354.326 2.295 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000820777217 606700731 /nfs/dbraw/zinc/70/07/31/606700731.db2.gz QGGSPKGBUUUUAA-BXUZGUMPSA-N -1 1 367.369 2.136 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000820777217 606700733 /nfs/dbraw/zinc/70/07/33/606700733.db2.gz QGGSPKGBUUUUAA-BXUZGUMPSA-N -1 1 367.369 2.136 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cncc(Br)c1 ZINC000823629705 606711806 /nfs/dbraw/zinc/71/18/06/606711806.db2.gz FJKHTRHAIIHWDP-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cncc(Br)c1 ZINC000823629705 606711808 /nfs/dbraw/zinc/71/18/08/606711808.db2.gz FJKHTRHAIIHWDP-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232302 606719295 /nfs/dbraw/zinc/71/92/95/606719295.db2.gz FQDFHNKUXYFDSL-ZWNOBZJWSA-N -1 1 355.358 2.094 20 5 FEBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232302 606719297 /nfs/dbraw/zinc/71/92/97/606719297.db2.gz FQDFHNKUXYFDSL-ZWNOBZJWSA-N -1 1 355.358 2.094 20 5 FEBDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000826280374 608101172 /nfs/dbraw/zinc/10/11/72/608101172.db2.gz ZEBZHROHFZNBPY-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC=CCC2)cc1N1CC=CCC1 ZINC000826497092 609431346 /nfs/dbraw/zinc/43/13/46/609431346.db2.gz UMJRNESAIFEBPA-UHFFFAOYSA-N -1 1 353.386 2.308 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC=CCC2)cc1N1CC=CCC1 ZINC000826497092 609431349 /nfs/dbraw/zinc/43/13/49/609431349.db2.gz UMJRNESAIFEBPA-UHFFFAOYSA-N -1 1 353.386 2.308 20 5 FEBDMM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000815008573 674895184 /nfs/dbraw/zinc/89/51/84/674895184.db2.gz HTAZNZSDLOXDMB-LBPRGKRZSA-N -1 1 368.770 2.007 20 5 FEBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017668 674897980 /nfs/dbraw/zinc/89/79/80/674897980.db2.gz RZYJRDYVAXSGOG-ISVAXAHUSA-N -1 1 368.814 2.463 20 5 FEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000815023836 674900209 /nfs/dbraw/zinc/90/02/09/674900209.db2.gz JVMHNMFOYZMBNO-RYUDHWBXSA-N -1 1 366.798 2.479 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000055590964 670352712 /nfs/dbraw/zinc/35/27/12/670352712.db2.gz GVXCACGLTSIJFJ-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571573164 670895269 /nfs/dbraw/zinc/89/52/69/670895269.db2.gz WENQYXODSREINH-ONGXEEELSA-N -1 1 350.824 2.324 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000571813314 670928174 /nfs/dbraw/zinc/92/81/74/670928174.db2.gz ZBFDLVFJPOQFFL-GFCCVEGCSA-N -1 1 358.416 2.135 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000608858266 675905942 /nfs/dbraw/zinc/90/59/42/675905942.db2.gz NNTFSVJIXQYLIG-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000580401093 671803854 /nfs/dbraw/zinc/80/38/54/671803854.db2.gz LNBPOXCDHIHYBG-GFCCVEGCSA-N -1 1 355.416 2.150 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129177541 672058265 /nfs/dbraw/zinc/05/82/65/672058265.db2.gz QRBLWJMXHOSPDH-RISCZKNCSA-N -1 1 368.386 2.004 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711750 675991250 /nfs/dbraw/zinc/99/12/50/675991250.db2.gz BEYUKAKKPLPRQZ-SNVBAGLBSA-N -1 1 355.759 2.055 20 5 FEBDMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000177071252 672379730 /nfs/dbraw/zinc/37/97/30/672379730.db2.gz FEZQQJGRAPFVKG-UHFFFAOYSA-N -1 1 371.346 2.138 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c([N+](=O)[O-])n1 ZINC000611105159 676017439 /nfs/dbraw/zinc/01/74/39/676017439.db2.gz WRXLXBZOMBVHLP-LBPRGKRZSA-N -1 1 366.399 2.003 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])n1 ZINC000611106038 676017589 /nfs/dbraw/zinc/01/75/89/676017589.db2.gz PJRHRAKYCGTOCD-SECBINFHSA-N -1 1 358.445 2.091 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CC=CC1 ZINC000592097180 672755021 /nfs/dbraw/zinc/75/50/21/672755021.db2.gz FTECEFDXJCGZDV-ZDUSSCGKSA-N -1 1 360.457 2.288 20 5 FEBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cnn(-c3ccncc3)c2)s1 ZINC000611925781 676060428 /nfs/dbraw/zinc/06/04/28/676060428.db2.gz AHWLYYCUMMHANJ-UHFFFAOYSA-N -1 1 365.396 2.384 20 5 FEBDMM C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945255 673014340 /nfs/dbraw/zinc/01/43/40/673014340.db2.gz PINDMTDRDXFQNN-LPEHRKFASA-N -1 1 374.390 2.148 20 5 FEBDMM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594790270 673143484 /nfs/dbraw/zinc/14/34/84/673143484.db2.gz BWDWHWBCQWLMOS-ZDUSSCGKSA-N -1 1 353.375 2.429 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595414981 673247242 /nfs/dbraw/zinc/24/72/42/673247242.db2.gz PFXLCYZXVBVTAH-LLVKDONJSA-N -1 1 363.395 2.354 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000731037963 673299114 /nfs/dbraw/zinc/29/91/14/673299114.db2.gz VDOILXVJWGOHOJ-QMMMGPOBSA-N -1 1 364.807 2.257 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000536758926 673380335 /nfs/dbraw/zinc/38/03/35/673380335.db2.gz ZFQXNBDOVZUWGY-ZFWWWQNUSA-N -1 1 363.395 2.046 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000547323114 673842851 /nfs/dbraw/zinc/84/28/51/673842851.db2.gz JQUDCVAIPADUIL-KGLIPLIRSA-N -1 1 363.395 2.188 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000603440048 675799383 /nfs/dbraw/zinc/79/93/83/675799383.db2.gz OOPNSGPQIOIEJA-UHFFFAOYSA-N -1 1 365.367 2.363 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)O ZINC000830618883 677051123 /nfs/dbraw/zinc/05/11/23/677051123.db2.gz QHKGIYNBPBFTFQ-LURJTMIESA-N -1 1 357.215 2.339 20 5 FEBDMM CCCC[C@@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000840206179 680807275 /nfs/dbraw/zinc/80/72/75/680807275.db2.gz JAUCYIJQENHMAI-CYBMUJFWSA-N -1 1 368.411 2.316 20 5 FEBDMM C[C@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000840206834 680807415 /nfs/dbraw/zinc/80/74/15/680807415.db2.gz JNBBZLDHOZLIJX-JTQLQIEISA-N -1 1 368.411 2.315 20 5 FEBDMM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC ZINC000832124888 680098493 /nfs/dbraw/zinc/09/84/93/680098493.db2.gz RXWPLMBGAMCTEB-GFCCVEGCSA-N -1 1 354.787 2.481 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000751476343 680180731 /nfs/dbraw/zinc/18/07/31/680180731.db2.gz RSIXXEQDPDNAFV-GFCCVEGCSA-N -1 1 362.835 2.468 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])co1 ZINC000756399329 680476181 /nfs/dbraw/zinc/47/61/81/680476181.db2.gz AWASVEVZRNUEHU-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC000768898273 680964120 /nfs/dbraw/zinc/96/41/20/680964120.db2.gz GGRZAUWQGDCSBZ-LBPRGKRZSA-N -1 1 370.408 2.467 20 5 FEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000769046477 680968900 /nfs/dbraw/zinc/96/89/00/680968900.db2.gz KJASDULAUGVGSA-SECBINFHSA-N -1 1 350.352 2.224 20 5 FEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000769926448 681000935 /nfs/dbraw/zinc/00/09/35/681000935.db2.gz MRQMYPCPXNFGQG-UHFFFAOYSA-N -1 1 362.161 2.157 20 5 FEBDMM Cc1[n-]ncc1S(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000769926448 681000936 /nfs/dbraw/zinc/00/09/36/681000936.db2.gz MRQMYPCPXNFGQG-UHFFFAOYSA-N -1 1 362.161 2.157 20 5 FEBDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000845969869 681167011 /nfs/dbraw/zinc/16/70/11/681167011.db2.gz UUZHJGZCHPELGC-KWQFWETISA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000775728320 681329055 /nfs/dbraw/zinc/32/90/55/681329055.db2.gz GKUCMFHMWOLFNT-NSHDSACASA-N -1 1 374.390 2.088 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC000849337091 681690753 /nfs/dbraw/zinc/69/07/53/681690753.db2.gz LVQYQUHUJAYWDT-SKDRFNHKSA-N -1 1 364.807 2.041 20 5 FEBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000849344284 681692727 /nfs/dbraw/zinc/69/27/27/681692727.db2.gz HSKROLFBPFQLIB-NTZNESFSSA-N -1 1 362.304 2.213 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1(CO)CC1 ZINC000849433628 681733094 /nfs/dbraw/zinc/73/30/94/681733094.db2.gz OUXFKVMFYCHTEL-ZETCQYMHSA-N -1 1 369.226 2.341 20 5 FEBDMM CN(C)c1nc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC000786494118 682380616 /nfs/dbraw/zinc/38/06/16/682380616.db2.gz QAEHIOHEEKPLMJ-UHFFFAOYSA-N -1 1 352.734 2.167 20 5 FEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000786905740 682417746 /nfs/dbraw/zinc/41/77/46/682417746.db2.gz UJIHQXNORGJPKP-UHFFFAOYSA-N -1 1 362.161 2.157 20 5 FEBDMM CCOC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000859317151 683081780 /nfs/dbraw/zinc/08/17/80/683081780.db2.gz CBKHSZLBHGTOCT-SNVBAGLBSA-N -1 1 374.802 2.178 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000859368406 683095325 /nfs/dbraw/zinc/09/53/25/683095325.db2.gz ZTFCOFJJTQOTHA-UFBFGSQYSA-N -1 1 364.782 2.233 20 5 FEBDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000799531807 683466005 /nfs/dbraw/zinc/46/60/05/683466005.db2.gz ILAHLIPWBXVPPP-UHFFFAOYSA-N -1 1 365.367 2.252 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000921857537 683596104 /nfs/dbraw/zinc/59/61/04/683596104.db2.gz WQXNHPMMCWOJRJ-FZMZJTMJSA-N -1 1 358.391 2.217 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1F ZINC000866861280 684169661 /nfs/dbraw/zinc/16/96/61/684169661.db2.gz KGRVTEPGYUBFCN-FZQKWOKYSA-N -1 1 358.391 2.134 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC2(COC2)CC1 ZINC000882823541 687504206 /nfs/dbraw/zinc/50/42/06/687504206.db2.gz GTUGNUYQBIPAHL-UHFFFAOYSA-N -1 1 360.819 2.486 20 5 FEBDMM CC1(C)CC2(CC([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CO1 ZINC000908000876 691595789 /nfs/dbraw/zinc/59/57/89/691595789.db2.gz AZRDBPGGBZQVMH-UHFFFAOYSA-N -1 1 358.391 2.360 20 5 FEBDMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000016752773 539636561 /nfs/dbraw/zinc/63/65/61/539636561.db2.gz VNFLSYBYEYTQMX-UHFFFAOYSA-N -1 1 374.422 2.312 20 5 FEBDMM O=C(NCCc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016497993 539632825 /nfs/dbraw/zinc/63/28/25/539632825.db2.gz JCOIJLMGLSLNFA-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000030530296 539884414 /nfs/dbraw/zinc/88/44/14/539884414.db2.gz PJVDIOHWCRXCRR-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(N)=O)c1 ZINC000030530309 539884517 /nfs/dbraw/zinc/88/45/17/539884517.db2.gz ZGFSKTWWIYUXLR-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066336392 541304277 /nfs/dbraw/zinc/30/42/77/541304277.db2.gz IQSGMACHYQJBKG-UHFFFAOYSA-N -1 1 358.282 2.407 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000135664618 544358422 /nfs/dbraw/zinc/35/84/22/544358422.db2.gz BNKWMUMIMXOWHL-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1-n1cccn1 ZINC000150900854 544483984 /nfs/dbraw/zinc/48/39/84/544483984.db2.gz ASKSPXPAWFHKJO-NSHDSACASA-N -1 1 353.338 2.372 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152079255 544611611 /nfs/dbraw/zinc/61/16/11/544611611.db2.gz SFLNLIWLYZFEDF-BBRMVZONSA-N -1 1 370.409 2.336 20 5 FEBDMM CN(Cc1ccc(Br)o1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186924297 327990978 /nfs/dbraw/zinc/99/09/78/327990978.db2.gz HXJFXAFFXCIFMB-UHFFFAOYSA-N -1 1 356.132 2.323 20 5 FEBDMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187547923 328032681 /nfs/dbraw/zinc/03/26/81/328032681.db2.gz PXZASCQZRRWXER-NSHDSACASA-N -1 1 368.353 2.109 20 5 FEBDMM C[C@@H](O)[C@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000192066380 328297946 /nfs/dbraw/zinc/29/79/46/328297946.db2.gz KVVUDJFKWMXJGB-XIKOKIGWSA-N -1 1 359.382 2.055 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2F)no1 ZINC000193723878 328391766 /nfs/dbraw/zinc/39/17/66/328391766.db2.gz QYOWSQVQPNEAQE-ZDUSSCGKSA-N -1 1 373.300 2.045 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016494257 324385733 /nfs/dbraw/zinc/38/57/33/324385733.db2.gz KRHVZINTIVMEGY-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000091160925 325376102 /nfs/dbraw/zinc/37/61/02/325376102.db2.gz IVHACBZKTGEJIX-UHFFFAOYSA-N -1 1 353.331 2.358 20 5 FEBDMM CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244625 326243062 /nfs/dbraw/zinc/24/30/62/326243062.db2.gz RFUGWALOOLEWHI-CYBMUJFWSA-N -1 1 373.450 2.380 20 5 FEBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000125252558 326468225 /nfs/dbraw/zinc/46/82/25/326468225.db2.gz CGIILIXJOXBHOX-NSHDSACASA-N -1 1 360.388 2.116 20 5 FEBDMM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264150229 328995342 /nfs/dbraw/zinc/99/53/42/328995342.db2.gz ZYYTTWPKPSIDAC-QMMMGPOBSA-N -1 1 367.221 2.061 20 5 FEBDMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc([N+](=O)[O-])c1OC ZINC000265939869 329174637 /nfs/dbraw/zinc/17/46/37/329174637.db2.gz ITQQXXBYAMQQJR-UHFFFAOYSA-N -1 1 361.236 2.001 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000274939106 329994967 /nfs/dbraw/zinc/99/49/67/329994967.db2.gz FBJFNPGNYYFZRJ-ZDUSSCGKSA-N -1 1 371.349 2.444 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155645026 545553339 /nfs/dbraw/zinc/55/33/39/545553339.db2.gz YFLKFYBGKVIMJN-QMMMGPOBSA-N -1 1 370.291 2.147 20 5 FEBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC000158656294 545882093 /nfs/dbraw/zinc/88/20/93/545882093.db2.gz OUAWAORCOGHHNC-UHFFFAOYSA-N -1 1 354.248 2.394 20 5 FEBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000485955267 561333456 /nfs/dbraw/zinc/33/34/56/561333456.db2.gz IOTDPOORDQJMON-LBPRGKRZSA-N -1 1 368.349 2.144 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)c1 ZINC000195156983 548585810 /nfs/dbraw/zinc/58/58/10/548585810.db2.gz GEJSAPBYUGNGPI-UHFFFAOYSA-N -1 1 364.408 2.339 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)c1 ZINC000195156983 548585815 /nfs/dbraw/zinc/58/58/15/548585815.db2.gz GEJSAPBYUGNGPI-UHFFFAOYSA-N -1 1 364.408 2.339 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000488289364 561387457 /nfs/dbraw/zinc/38/74/57/561387457.db2.gz FKBXAHZELBETGF-UHFFFAOYSA-N -1 1 370.358 2.344 20 5 FEBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000278086473 550747437 /nfs/dbraw/zinc/74/74/37/550747437.db2.gz HTGRDZOZJYLPCB-AWEZNQCLSA-N -1 1 373.365 2.102 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000278460637 550788741 /nfs/dbraw/zinc/78/87/41/550788741.db2.gz MPCNHQTUPCEYDW-UHFFFAOYSA-N -1 1 371.393 2.153 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000282349945 551215496 /nfs/dbraw/zinc/21/54/96/551215496.db2.gz SEEHWHUTXGGZCT-JTQLQIEISA-N -1 1 372.790 2.207 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288298354 552128023 /nfs/dbraw/zinc/12/80/23/552128023.db2.gz GPVGHPAQRFZXBZ-LLVKDONJSA-N -1 1 354.306 2.223 20 5 FEBDMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000500108026 561566144 /nfs/dbraw/zinc/56/61/44/561566144.db2.gz DRKIDZNVZCHLAH-AWEZNQCLSA-N -1 1 355.460 2.446 20 5 FEBDMM Cc1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000290306059 552457235 /nfs/dbraw/zinc/45/72/35/552457235.db2.gz GSJDROHYOOTBGX-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000290422108 552476627 /nfs/dbraw/zinc/47/66/27/552476627.db2.gz RURJVDTZHODGQM-NSHDSACASA-N -1 1 373.331 2.434 20 5 FEBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cn(C2CCOCC2)nn1 ZINC000291043436 552579730 /nfs/dbraw/zinc/57/97/30/552579730.db2.gz BDDDVYBYORSFDF-UHFFFAOYSA-N -1 1 353.285 2.068 20 5 FEBDMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295281920 552981051 /nfs/dbraw/zinc/98/10/51/552981051.db2.gz MRVGBZJIEMQYQX-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000298119851 553386552 /nfs/dbraw/zinc/38/65/52/553386552.db2.gz MSRLYYAGJDPRCR-GXFFZTMASA-N -1 1 363.395 2.485 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000298307167 553410477 /nfs/dbraw/zinc/41/04/77/553410477.db2.gz XUDNIRXNFOASSM-UHFFFAOYSA-N -1 1 366.399 2.424 20 5 FEBDMM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298854691 553481368 /nfs/dbraw/zinc/48/13/68/553481368.db2.gz PEVPPOAUMXBVJD-ZDUSSCGKSA-N -1 1 373.369 2.476 20 5 FEBDMM COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000351021142 554830380 /nfs/dbraw/zinc/83/03/80/554830380.db2.gz PMWVDSDGGDWMPQ-JTQLQIEISA-N -1 1 371.353 2.401 20 5 FEBDMM Cc1nn(Cc2ccc(C(=O)Nc3ccncc3[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000511988803 561888182 /nfs/dbraw/zinc/88/81/82/561888182.db2.gz FGANOCFWSGPOKZ-UHFFFAOYSA-N -1 1 367.365 2.231 20 5 FEBDMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000515202635 562000381 /nfs/dbraw/zinc/00/03/81/562000381.db2.gz UKFJIQTUKHEHBM-NSHDSACASA-N -1 1 371.271 2.178 20 5 FEBDMM Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515852234 562024010 /nfs/dbraw/zinc/02/40/10/562024010.db2.gz SWFJTEBJLDTDPI-CQSZACIVSA-N -1 1 351.403 2.370 20 5 FEBDMM COc1cc(CC2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000373100942 557628922 /nfs/dbraw/zinc/62/89/22/557628922.db2.gz UNORHFLOBQASAQ-UHFFFAOYSA-N -1 1 373.365 2.027 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(-c3ccccn3)n2)c1 ZINC000374752458 557925621 /nfs/dbraw/zinc/92/56/21/557925621.db2.gz WXNVZNJGJFLJPM-UHFFFAOYSA-N -1 1 354.326 2.222 20 5 FEBDMM C[C@@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392726949 558618620 /nfs/dbraw/zinc/61/86/20/558618620.db2.gz SWBPUVJWSUKPFY-SMDDNHRTSA-N -1 1 360.363 2.046 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])n1 ZINC000407990760 558636211 /nfs/dbraw/zinc/63/62/11/558636211.db2.gz PPWRPUQXEPIFJS-UHFFFAOYSA-N -1 1 354.432 2.058 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000524678684 562232124 /nfs/dbraw/zinc/23/21/24/562232124.db2.gz XSFWGPBKGNBNME-GFCCVEGCSA-N -1 1 371.802 2.309 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000525693993 562252589 /nfs/dbraw/zinc/25/25/89/562252589.db2.gz GCMWAENHIFJFIS-GFCCVEGCSA-N -1 1 371.802 2.309 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000414478918 559167933 /nfs/dbraw/zinc/16/79/33/559167933.db2.gz QLMGDPRJEPWLEC-NSHDSACASA-N -1 1 356.322 2.469 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000416420711 559311822 /nfs/dbraw/zinc/31/18/22/559311822.db2.gz XGIKVEADZJIDJU-LBPRGKRZSA-N -1 1 354.384 2.471 20 5 FEBDMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000421996627 559559601 /nfs/dbraw/zinc/55/96/01/559559601.db2.gz VQOFAEFATQLFNA-JQWIXIFHSA-N -1 1 365.386 2.135 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000431917846 559848494 /nfs/dbraw/zinc/84/84/94/559848494.db2.gz BBYNIOXIVTYRTC-UHFFFAOYSA-N -1 1 368.367 2.188 20 5 FEBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]1 ZINC000432661172 559862655 /nfs/dbraw/zinc/86/26/55/559862655.db2.gz VIGFNNIFVKFAJB-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000432661172 559862656 /nfs/dbraw/zinc/86/26/56/559862656.db2.gz VIGFNNIFVKFAJB-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])no1 ZINC000443149190 560072590 /nfs/dbraw/zinc/07/25/90/560072590.db2.gz XDDAVURRZNDDRV-UHFFFAOYSA-N -1 1 368.415 2.371 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000445133865 560129473 /nfs/dbraw/zinc/12/94/73/560129473.db2.gz LAYYMUPHRHHKAS-UHFFFAOYSA-N -1 1 365.349 2.080 20 5 FEBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000445219765 560130932 /nfs/dbraw/zinc/13/09/32/560130932.db2.gz YTMHLLGGLXCPMT-IMJJTQAJSA-N -1 1 373.365 2.050 20 5 FEBDMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000451963577 560341003 /nfs/dbraw/zinc/34/10/03/560341003.db2.gz ZXVMXFVSQMYSBB-UHFFFAOYSA-N -1 1 355.372 2.022 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2OC(C)C)c([N+](=O)[O-])n1 ZINC000532854863 562490615 /nfs/dbraw/zinc/49/06/15/562490615.db2.gz LRTXONSYJQDWRR-UHFFFAOYSA-N -1 1 368.415 2.077 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000541799261 562619935 /nfs/dbraw/zinc/61/99/35/562619935.db2.gz TWTBZDTXDCVSAS-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736813881 598987751 /nfs/dbraw/zinc/98/77/51/598987751.db2.gz MQBFXFVMPWTNAH-UHFFFAOYSA-N -1 1 373.760 2.096 20 5 FEBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736813881 598987753 /nfs/dbraw/zinc/98/77/53/598987753.db2.gz MQBFXFVMPWTNAH-UHFFFAOYSA-N -1 1 373.760 2.096 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000808349185 674455290 /nfs/dbraw/zinc/45/52/90/674455290.db2.gz JAJJUESRTNGGJC-JTQLQIEISA-N -1 1 352.343 2.188 20 5 FEBDMM CN(CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825945904 607450800 /nfs/dbraw/zinc/45/08/00/607450800.db2.gz AFLDVCLXKFAHGX-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM CN(CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825945904 607450801 /nfs/dbraw/zinc/45/08/01/607450801.db2.gz AFLDVCLXKFAHGX-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCOC1 ZINC000809829741 674514078 /nfs/dbraw/zinc/51/40/78/674514078.db2.gz LRBNKGAGKNQOJF-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cnn(C)c1 ZINC000809820916 674512615 /nfs/dbraw/zinc/51/26/15/674512615.db2.gz FGEODUIEJWTAHS-SSDOTTSWSA-N -1 1 362.770 2.160 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccc(F)n2)cc1Cl ZINC000809829102 674513808 /nfs/dbraw/zinc/51/38/08/674513808.db2.gz VUVHJUBMOGAMAP-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM CCC(CC)(CC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825090110 607646808 /nfs/dbraw/zinc/64/68/08/607646808.db2.gz UCDMNCJBPKZZCP-UHFFFAOYSA-N -1 1 368.419 2.022 20 5 FEBDMM CN1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833697000 604860978 /nfs/dbraw/zinc/86/09/78/604860978.db2.gz ANZPAOAHGZMAFC-IAGOWNOFSA-N -1 1 369.377 2.468 20 5 FEBDMM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000834287785 605778930 /nfs/dbraw/zinc/77/89/30/605778930.db2.gz QSFXPLUYGPNYPQ-HNNXBMFYSA-N -1 1 363.370 2.295 20 5 FEBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000810105149 674532044 /nfs/dbraw/zinc/53/20/44/674532044.db2.gz CIDXNPRRGAQSDI-ZDUSSCGKSA-N -1 1 362.835 2.324 20 5 FEBDMM CN(CCOc1ccccc1F)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821604910 606644860 /nfs/dbraw/zinc/64/48/60/606644860.db2.gz MTOTVAGLRHPFMO-UHFFFAOYSA-N -1 1 358.333 2.429 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000820777224 606700831 /nfs/dbraw/zinc/70/08/31/606700831.db2.gz QGGSPKGBUUUUAA-RISCZKNCSA-N -1 1 367.369 2.136 20 5 FEBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000820777224 606700833 /nfs/dbraw/zinc/70/08/33/606700833.db2.gz QGGSPKGBUUUUAA-RISCZKNCSA-N -1 1 367.369 2.136 20 5 FEBDMM CN(CCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821599479 606701277 /nfs/dbraw/zinc/70/12/77/606701277.db2.gz WMGLCPQFXGZOGT-UHFFFAOYSA-N -1 1 368.401 2.498 20 5 FEBDMM CN(CCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821599479 606701278 /nfs/dbraw/zinc/70/12/78/606701278.db2.gz WMGLCPQFXGZOGT-UHFFFAOYSA-N -1 1 368.401 2.498 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Br)nc1 ZINC000823630026 606720375 /nfs/dbraw/zinc/72/03/75/606720375.db2.gz PWZWHJSGWDSEMU-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Br)nc1 ZINC000823630026 606720376 /nfs/dbraw/zinc/72/03/76/606720376.db2.gz PWZWHJSGWDSEMU-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232101 607039598 /nfs/dbraw/zinc/03/95/98/607039598.db2.gz DGAVJFUUNOAIAX-TVQRCGJNSA-N -1 1 373.348 2.233 20 5 FEBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232101 607039599 /nfs/dbraw/zinc/03/95/99/607039599.db2.gz DGAVJFUUNOAIAX-TVQRCGJNSA-N -1 1 373.348 2.233 20 5 FEBDMM Cc1csc([C@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826321160 607841478 /nfs/dbraw/zinc/84/14/78/607841478.db2.gz SHGQGKUZVHSSKP-CYBMUJFWSA-N -1 1 373.398 2.118 20 5 FEBDMM COCCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815007670 674894664 /nfs/dbraw/zinc/89/46/64/674894664.db2.gz VUBIYVGHBNCRFV-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019826 674898446 /nfs/dbraw/zinc/89/84/46/674898446.db2.gz OLZFJOVVHCOEIP-JGVFFNPUSA-N -1 1 354.787 2.073 20 5 FEBDMM CC(Nc1cccc([N+](=O)[O-])c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009770583 669984478 /nfs/dbraw/zinc/98/44/78/669984478.db2.gz ZCDSJCRABNFHFK-RAXLEYEMSA-N -1 1 362.411 2.180 20 5 FEBDMM COc1cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000570844531 670777266 /nfs/dbraw/zinc/77/72/66/670777266.db2.gz YVRPXSVDCVHQQU-UHFFFAOYSA-N -1 1 351.746 2.330 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c1 ZINC000572841747 671051361 /nfs/dbraw/zinc/05/13/61/671051361.db2.gz BBUKBSZDJYGEDK-JTQLQIEISA-N -1 1 352.372 2.013 20 5 FEBDMM Nc1c(C(=O)Nc2nc(Br)ccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000121505738 671951247 /nfs/dbraw/zinc/95/12/47/671951247.db2.gz GJIUUNUCCYWHFZ-UHFFFAOYSA-N -1 1 371.122 2.432 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000610264490 675962445 /nfs/dbraw/zinc/96/24/45/675962445.db2.gz DUJYLQYVDQQDQF-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714069 675991252 /nfs/dbraw/zinc/99/12/52/675991252.db2.gz JNHWLDYLNDQEDX-SCZZXKLOSA-N -1 1 368.781 2.186 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1 ZINC000159309375 672280281 /nfs/dbraw/zinc/28/02/81/672280281.db2.gz KTFCOKAVMYGJHJ-GFCCVEGCSA-N -1 1 374.777 2.399 20 5 FEBDMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000611106587 676017973 /nfs/dbraw/zinc/01/79/73/676017973.db2.gz YCPBQLFRZGLQKN-CHWSQXEVSA-N -1 1 374.463 2.073 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])n1 ZINC000611107556 676018147 /nfs/dbraw/zinc/01/81/47/676018147.db2.gz QTIJOGCWWYSCMG-CYBMUJFWSA-N -1 1 367.431 2.190 20 5 FEBDMM O=C(NCc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000612544479 676086861 /nfs/dbraw/zinc/08/68/61/676086861.db2.gz IGDHIVXPQMRHGH-UHFFFAOYSA-N -1 1 362.415 2.320 20 5 FEBDMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000537593073 673396226 /nfs/dbraw/zinc/39/62/26/673396226.db2.gz PVXVFWJQLUMCHW-STQMWFEESA-N -1 1 357.432 2.252 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000599207777 673641425 /nfs/dbraw/zinc/64/14/25/673641425.db2.gz BCZNGVONZMUNGB-CYBMUJFWSA-N -1 1 356.379 2.143 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000599235313 673645629 /nfs/dbraw/zinc/64/56/29/673645629.db2.gz VQDHSPSKALTDEA-SSDOTTSWSA-N -1 1 362.770 2.160 20 5 FEBDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599253707 673649246 /nfs/dbraw/zinc/64/92/46/673649246.db2.gz OHLRYLLJDBNLMG-YMTOWFKASA-N -1 1 368.390 2.069 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c1 ZINC000543660017 673659333 /nfs/dbraw/zinc/65/93/33/673659333.db2.gz ZEZACTBJSDYLMI-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000742307294 673720852 /nfs/dbraw/zinc/72/08/52/673720852.db2.gz RDMWQJUOLBEQQI-UHFFFAOYSA-N -1 1 358.807 2.195 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000545364043 673763397 /nfs/dbraw/zinc/76/33/97/673763397.db2.gz PWCTWFFVOSUHKW-ZDUSSCGKSA-N -1 1 372.349 2.026 20 5 FEBDMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567424759 675292070 /nfs/dbraw/zinc/29/20/70/675292070.db2.gz NZUIREUJJUFIHB-NSHDSACASA-N -1 1 373.431 2.026 20 5 FEBDMM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826180182 675683856 /nfs/dbraw/zinc/68/38/56/675683856.db2.gz VWDLGFJOKGEYIA-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000826180182 675683857 /nfs/dbraw/zinc/68/38/57/675683857.db2.gz VWDLGFJOKGEYIA-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM CC[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000829546761 675882743 /nfs/dbraw/zinc/88/27/43/675882743.db2.gz IDTQVQILCJSSDG-SSDOTTSWSA-N -1 1 350.253 2.458 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000751173723 680157906 /nfs/dbraw/zinc/15/79/06/680157906.db2.gz UPVABVMPIKRDBA-UHFFFAOYSA-N -1 1 372.786 2.441 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000751425261 680173554 /nfs/dbraw/zinc/17/35/54/680173554.db2.gz XZWDFAAOIYNZKV-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1OC ZINC000754791859 680378785 /nfs/dbraw/zinc/37/87/85/680378785.db2.gz MESVIXCYLSBCEW-LBPRGKRZSA-N -1 1 368.415 2.249 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000767705325 680923241 /nfs/dbraw/zinc/92/32/41/680923241.db2.gz LBFBKBXPKFHXLE-UHFFFAOYSA-N -1 1 350.365 2.496 20 5 FEBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CO1 ZINC000849412043 681720214 /nfs/dbraw/zinc/72/02/14/681720214.db2.gz CMZMIIVVHAROOM-SSDOTTSWSA-N -1 1 352.771 2.233 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000849436669 681733993 /nfs/dbraw/zinc/73/39/93/681733993.db2.gz NXMQEWRUURVONQ-ZDUSSCGKSA-N -1 1 372.424 2.331 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000849469653 681751938 /nfs/dbraw/zinc/75/19/38/681751938.db2.gz XNXAEZBPCWNEEM-VIFPVBQESA-N -1 1 366.798 2.074 20 5 FEBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(c2nn[n-]n2)CCCC1 ZINC000791131405 682724436 /nfs/dbraw/zinc/72/44/36/682724436.db2.gz ZTNLVCKUUPDUJS-UHFFFAOYSA-N -1 1 368.756 2.029 20 5 FEBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791167234 682725716 /nfs/dbraw/zinc/72/57/16/682725716.db2.gz GWSAPZUKMKADHH-SNVBAGLBSA-N -1 1 357.395 2.369 20 5 FEBDMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420725 682741986 /nfs/dbraw/zinc/74/19/86/682741986.db2.gz BCGAKVDXJHYOSM-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795792946 683092727 /nfs/dbraw/zinc/09/27/27/683092727.db2.gz YWCGDIQOAWBSOE-NKWVEPMBSA-N -1 1 367.196 2.431 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F)s1 ZINC000872563006 684978855 /nfs/dbraw/zinc/97/88/55/684978855.db2.gz KAOIAYOAQGASCR-UHFFFAOYSA-N -1 1 370.277 2.106 20 5 FEBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030530319 539884407 /nfs/dbraw/zinc/88/44/07/539884407.db2.gz LETWFIGFWGVXMZ-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM CCOC(=O)c1csc(=NC(=O)CSc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000049961436 540395432 /nfs/dbraw/zinc/39/54/32/540395432.db2.gz IUCVYMLGRIAZAI-UHFFFAOYSA-N -1 1 367.408 2.959 20 5 FEBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638577 541352223 /nfs/dbraw/zinc/35/22/23/541352223.db2.gz JVOAQBNBAOXEPQ-UHFFFAOYSA-N -1 1 367.362 2.018 20 5 FEBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000802630376 674188829 /nfs/dbraw/zinc/18/88/29/674188829.db2.gz KRDOFKNYQIBAHR-YFKPBYRVSA-N -1 1 366.384 2.411 20 5 FEBDMM CN(CCOc1cccc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186800105 327983281 /nfs/dbraw/zinc/98/32/81/327983281.db2.gz OURBNQGYLAQZML-UHFFFAOYSA-N -1 1 351.746 2.500 20 5 FEBDMM CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000029433803 324447536 /nfs/dbraw/zinc/44/75/36/324447536.db2.gz QGPVQPBHFAZKJW-UHFFFAOYSA-N -1 1 365.411 2.362 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089892365 325340056 /nfs/dbraw/zinc/34/00/56/325340056.db2.gz GEQSEKVIEZWPBO-ZDUSSCGKSA-N -1 1 363.757 2.230 20 5 FEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000157211632 326858546 /nfs/dbraw/zinc/85/85/46/326858546.db2.gz NUWBXAPUJQFMBO-UHFFFAOYSA-N -1 1 373.394 2.160 20 5 FEBDMM Cc1ocnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161947359 327013165 /nfs/dbraw/zinc/01/31/65/327013165.db2.gz GODJEAAOLAWVBY-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM CCc1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000171043933 327114018 /nfs/dbraw/zinc/11/40/18/327114018.db2.gz HMUABNPZQIYHRE-UHFFFAOYSA-N -1 1 359.404 2.274 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000174264091 327316239 /nfs/dbraw/zinc/31/62/39/327316239.db2.gz GWOIEFTUZJIZKY-QFIPXVFZSA-N -1 1 354.409 2.441 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000246712478 328639223 /nfs/dbraw/zinc/63/92/23/328639223.db2.gz CSUVPQKDLNGEIR-OASPWFOLSA-N -1 1 360.819 2.340 20 5 FEBDMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000265353024 329117941 /nfs/dbraw/zinc/11/79/41/329117941.db2.gz UCLASLRRARKCQP-DEOSSOPVSA-N -1 1 351.384 2.070 20 5 FEBDMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000274877216 329988432 /nfs/dbraw/zinc/98/84/32/329988432.db2.gz GXHICNBNNFUAPO-UHFFFAOYSA-N -1 1 372.381 2.331 20 5 FEBDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000477425866 561144738 /nfs/dbraw/zinc/14/47/38/561144738.db2.gz ITCQEUDHQQLJMN-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Br)cn1 ZINC000481936700 561245825 /nfs/dbraw/zinc/24/58/25/561245825.db2.gz DKARXWIXSKAWLX-ZETCQYMHSA-N -1 1 367.159 2.344 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000484530713 561299175 /nfs/dbraw/zinc/29/91/75/561299175.db2.gz NJXGRAVJYSNCAK-UHFFFAOYSA-N -1 1 350.352 2.331 20 5 FEBDMM CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485212974 561315003 /nfs/dbraw/zinc/31/50/03/561315003.db2.gz RRYBJUJPKVSCNQ-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000486259982 561342517 /nfs/dbraw/zinc/34/25/17/561342517.db2.gz HQJMOOVUGMYOAY-NHYWBVRUSA-N -1 1 361.329 2.342 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486570586 561351116 /nfs/dbraw/zinc/35/11/16/561351116.db2.gz JOJIHXMAPSLUMU-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288632139 552188481 /nfs/dbraw/zinc/18/84/81/552188481.db2.gz NZSMSLXURPKZDT-LURJTMIESA-N -1 1 371.293 2.002 20 5 FEBDMM CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290641320 552511849 /nfs/dbraw/zinc/51/18/49/552511849.db2.gz DKQIRBUHPRQWEY-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000290752065 552531710 /nfs/dbraw/zinc/53/17/10/552531710.db2.gz MTQHQXVOBKBNPA-HTQZYQBOSA-N -1 1 352.771 2.091 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291331572 552615779 /nfs/dbraw/zinc/61/57/79/552615779.db2.gz VQBNDRYTCWUAFC-IBGZPJMESA-N -1 1 371.393 2.153 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291461360 552626646 /nfs/dbraw/zinc/62/66/46/552626646.db2.gz PAXAAAXAXYLMRN-LBPRGKRZSA-N -1 1 373.331 2.054 20 5 FEBDMM C[C@@H](O)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000292283776 552711930 /nfs/dbraw/zinc/71/19/30/552711930.db2.gz JTOCXEWPJLFHDD-GFCCVEGCSA-N -1 1 365.411 2.213 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000322126473 553768121 /nfs/dbraw/zinc/76/81/21/553768121.db2.gz XRFIGAIVCFKJDG-MRVPVSSYSA-N -1 1 364.807 2.257 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000322274535 553768316 /nfs/dbraw/zinc/76/83/16/553768316.db2.gz LNTXTZFOOLGAMO-UHFFFAOYSA-N -1 1 358.353 2.164 20 5 FEBDMM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])oc1C ZINC000507453951 561730035 /nfs/dbraw/zinc/73/00/35/561730035.db2.gz DRGLHMKJZWPNHY-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000331705575 554311701 /nfs/dbraw/zinc/31/17/01/554311701.db2.gz CLRHMAPMLNFAPU-YGRLFVJLSA-N -1 1 350.400 2.023 20 5 FEBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000363828774 555194644 /nfs/dbraw/zinc/19/46/44/555194644.db2.gz YZJXBKOMBFQMHL-UHFFFAOYSA-N -1 1 355.350 2.431 20 5 FEBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513578300 561943545 /nfs/dbraw/zinc/94/35/45/561943545.db2.gz OFIZDTJTIWSLEL-UHFFFAOYSA-N -1 1 352.350 2.146 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000366069011 555742292 /nfs/dbraw/zinc/74/22/92/555742292.db2.gz PZSMNOCMRDXUGN-LJQANCHMSA-N -1 1 371.393 2.153 20 5 FEBDMM Cc1nn(C)c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000366327330 555812778 /nfs/dbraw/zinc/81/27/78/555812778.db2.gz YWOUITHDUZMVSF-UHFFFAOYSA-N -1 1 372.381 2.077 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccccc2CO)CC1 ZINC000369016049 556477396 /nfs/dbraw/zinc/47/73/96/556477396.db2.gz DGNCYSJMHJGMQB-UHFFFAOYSA-N -1 1 357.366 2.208 20 5 FEBDMM COc1ccnc(N2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC000516473113 562043994 /nfs/dbraw/zinc/04/39/94/562043994.db2.gz NXZUPJOYTUEXLX-UHFFFAOYSA-N -1 1 372.381 2.332 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000378563607 558584164 /nfs/dbraw/zinc/58/41/64/558584164.db2.gz SRFDPVXSFNREFD-UHFFFAOYSA-N -1 1 351.750 2.023 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000525699971 562252657 /nfs/dbraw/zinc/25/26/57/562252657.db2.gz BTSPHESERBHGLU-GFCCVEGCSA-N -1 1 367.358 2.321 20 5 FEBDMM C[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000425286271 559694824 /nfs/dbraw/zinc/69/48/24/559694824.db2.gz AOGBHFFLHSVGPY-UWVGGRQHSA-N -1 1 364.333 2.332 20 5 FEBDMM COc1cc(CCNC(=O)c2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000436754914 559950975 /nfs/dbraw/zinc/95/09/75/559950975.db2.gz IYLORSFJMNKFCE-UHFFFAOYSA-N -1 1 364.329 2.429 20 5 FEBDMM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC000436775875 559951652 /nfs/dbraw/zinc/95/16/52/559951652.db2.gz YHXZWZAHRQXLHJ-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436992386 559958827 /nfs/dbraw/zinc/95/88/27/559958827.db2.gz VGDBTFPTVQJAGQ-CYBMUJFWSA-N -1 1 353.338 2.132 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000443147740 560072660 /nfs/dbraw/zinc/07/26/60/560072660.db2.gz SDQBCZVBEIQUNT-UHFFFAOYSA-N -1 1 360.417 2.124 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(CSC)c2)c([N+](=O)[O-])n1 ZINC000445740633 560134528 /nfs/dbraw/zinc/13/45/28/560134528.db2.gz HNZUFYHWSUTOTA-UHFFFAOYSA-N -1 1 370.456 2.153 20 5 FEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000451030299 560283639 /nfs/dbraw/zinc/28/36/39/560283639.db2.gz SYDIOHPXACXOIQ-UHFFFAOYSA-N -1 1 365.293 2.095 20 5 FEBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])[nH]n1 ZINC000533407240 562507556 /nfs/dbraw/zinc/50/75/56/562507556.db2.gz VOUWSTQJYGBTLL-SECBINFHSA-N -1 1 356.408 2.239 20 5 FEBDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533557017 562513039 /nfs/dbraw/zinc/51/30/39/562513039.db2.gz QLEJMRGXCMAYAT-OAHLLOKOSA-N -1 1 370.427 2.136 20 5 FEBDMM CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000536308964 562574134 /nfs/dbraw/zinc/57/41/34/562574134.db2.gz WWCJNBZNNSGLLU-SECBINFHSA-N -1 1 371.198 2.289 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000542003080 562625479 /nfs/dbraw/zinc/62/54/79/562625479.db2.gz IONYAIDMSSPPIX-UHFFFAOYSA-N -1 1 352.324 2.133 20 5 FEBDMM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)c1 ZINC000568592974 568074357 /nfs/dbraw/zinc/07/43/57/568074357.db2.gz PRFRUHZQRUUHGR-JOCQHMNTSA-N -1 1 363.395 2.223 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1[N+](=O)[O-] ZINC000822267277 607256106 /nfs/dbraw/zinc/25/61/06/607256106.db2.gz QPWYBOMIJSNFMF-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM CC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000819818788 599084080 /nfs/dbraw/zinc/08/40/80/599084080.db2.gz VNQOCGZNOGWADY-UHFFFAOYSA-N -1 1 359.277 2.060 20 5 FEBDMM CC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000819818788 599084083 /nfs/dbraw/zinc/08/40/83/599084083.db2.gz VNQOCGZNOGWADY-UHFFFAOYSA-N -1 1 359.277 2.060 20 5 FEBDMM O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)o2)c(-c2nn[n-]n2)c1 ZINC000823652290 599145413 /nfs/dbraw/zinc/14/54/13/599145413.db2.gz YYRJYEBAJCPRTL-UHFFFAOYSA-N -1 1 374.367 2.433 20 5 FEBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823299002 607263244 /nfs/dbraw/zinc/26/32/44/607263244.db2.gz CDKUHMNZXCKUMV-UHFFFAOYSA-N -1 1 363.696 2.215 20 5 FEBDMM CC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000819826190 607345666 /nfs/dbraw/zinc/34/56/66/607345666.db2.gz GJWHVJATGHXWFC-UHFFFAOYSA-N -1 1 353.342 2.345 20 5 FEBDMM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548260728 601992634 /nfs/dbraw/zinc/99/26/34/601992634.db2.gz PBXLBVNXMSGPMH-JQWIXIFHSA-N -1 1 374.390 2.436 20 5 FEBDMM COC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810214 674511283 /nfs/dbraw/zinc/51/12/83/674511283.db2.gz OYGZMMPMIBEWKO-ZETCQYMHSA-N -1 1 357.215 2.462 20 5 FEBDMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833210 674514470 /nfs/dbraw/zinc/51/44/70/674514470.db2.gz XBYPYYPLIOSSNM-UHFFFAOYSA-N -1 1 352.771 2.281 20 5 FEBDMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845758 674516100 /nfs/dbraw/zinc/51/61/00/674516100.db2.gz VFUIXQWUBSRJHI-QMMMGPOBSA-N -1 1 371.242 2.444 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830138301 603836718 /nfs/dbraw/zinc/83/67/18/603836718.db2.gz RKHIRDOSOLYAMY-UHFFFAOYSA-N -1 1 364.402 2.352 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000824452881 605390349 /nfs/dbraw/zinc/39/03/49/605390349.db2.gz DDCVEQNQSIZREM-SNVBAGLBSA-N -1 1 355.395 2.196 20 5 FEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000820461524 606702756 /nfs/dbraw/zinc/70/27/56/606702756.db2.gz LIUXAPLKKITCRQ-QMMMGPOBSA-N -1 1 351.330 2.219 20 5 FEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000820461524 606702759 /nfs/dbraw/zinc/70/27/59/606702759.db2.gz LIUXAPLKKITCRQ-QMMMGPOBSA-N -1 1 351.330 2.219 20 5 FEBDMM CCN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821207347 607164300 /nfs/dbraw/zinc/16/43/00/607164300.db2.gz LUXUITSUSGMSPL-UHFFFAOYSA-N -1 1 368.401 2.498 20 5 FEBDMM CCN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821207347 607164302 /nfs/dbraw/zinc/16/43/02/607164302.db2.gz LUXUITSUSGMSPL-UHFFFAOYSA-N -1 1 368.401 2.498 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccc(O)cc2)CC1 ZINC000823620166 607166048 /nfs/dbraw/zinc/16/60/48/607166048.db2.gz HSXAGHBBDJKLPK-UHFFFAOYSA-N -1 1 367.369 2.260 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccc(O)cc2)CC1 ZINC000823620166 607166049 /nfs/dbraw/zinc/16/60/49/607166049.db2.gz HSXAGHBBDJKLPK-UHFFFAOYSA-N -1 1 367.369 2.260 20 5 FEBDMM CC(C)(C)OC(=O)CCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824100872 608295644 /nfs/dbraw/zinc/29/56/44/608295644.db2.gz ZXBYUQYFLFRCAK-UHFFFAOYSA-N -1 1 363.378 2.094 20 5 FEBDMM CC(C)(C)OC(=O)CCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824100872 608295645 /nfs/dbraw/zinc/29/56/45/608295645.db2.gz ZXBYUQYFLFRCAK-UHFFFAOYSA-N -1 1 363.378 2.094 20 5 FEBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000811675732 674619839 /nfs/dbraw/zinc/61/98/39/674619839.db2.gz MIMHGRVIRRCNPE-UHFFFAOYSA-N -1 1 368.342 2.250 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000815018172 674897772 /nfs/dbraw/zinc/89/77/72/674897772.db2.gz IPJLSHPZBFOGNV-JGVFFNPUSA-N -1 1 352.771 2.091 20 5 FEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000815023834 674900186 /nfs/dbraw/zinc/90/01/86/674900186.db2.gz JVMHNMFOYZMBNO-NEPJUHHUSA-N -1 1 366.798 2.479 20 5 FEBDMM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000571582622 670896525 /nfs/dbraw/zinc/89/65/25/670896525.db2.gz WBVDJYDGINFYAI-WDEREUQCSA-N -1 1 354.409 2.499 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000572672296 671029971 /nfs/dbraw/zinc/02/99/71/671029971.db2.gz LPKWYRKRBLOPRV-NOZJJQNGSA-N -1 1 369.424 2.032 20 5 FEBDMM CC(C)Oc1nc(Oc2ccc([N-]S(C)(=O)=O)nc2)ccc1[N+](=O)[O-] ZINC000573815419 671167944 /nfs/dbraw/zinc/16/79/44/671167944.db2.gz QCVOTKOYUGIFRG-UHFFFAOYSA-N -1 1 368.371 2.336 20 5 FEBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000576394641 671365627 /nfs/dbraw/zinc/36/56/27/671365627.db2.gz KNWBVSYQQDORKK-UHFFFAOYSA-N -1 1 350.352 2.111 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)s1 ZINC000608835384 675905375 /nfs/dbraw/zinc/90/53/75/675905375.db2.gz YLCAYWSGTHAZKF-UHFFFAOYSA-N -1 1 374.371 2.140 20 5 FEBDMM COC(=O)CCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000609888483 675941389 /nfs/dbraw/zinc/94/13/89/675941389.db2.gz QLJCVBUDRNRATK-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000610266751 675963289 /nfs/dbraw/zinc/96/32/89/675963289.db2.gz XKNRRDBREAEBNV-UHFFFAOYSA-N -1 1 372.349 2.403 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129177363 672058123 /nfs/dbraw/zinc/05/81/23/672058123.db2.gz QRBLWJMXHOSPDH-FZMZJTMJSA-N -1 1 368.386 2.004 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000130457705 672075663 /nfs/dbraw/zinc/07/56/63/672075663.db2.gz WGGTWLXDKMHLNT-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154259998 672213253 /nfs/dbraw/zinc/21/32/53/672213253.db2.gz PBCSHIMNJFDRJS-UHFFFAOYSA-N -1 1 367.358 2.203 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000170735295 672324685 /nfs/dbraw/zinc/32/46/85/672324685.db2.gz BFJVJLLZYRPHJC-ZDUSSCGKSA-N -1 1 354.359 2.400 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC[C@H](C)O)cc1 ZINC000591772081 672710176 /nfs/dbraw/zinc/71/01/76/672710176.db2.gz MRDZIDUIRMMCGQ-LBPRGKRZSA-N -1 1 365.411 2.497 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000591831314 672715350 /nfs/dbraw/zinc/71/53/50/672715350.db2.gz DOMBDWVQFWAZRZ-SNVBAGLBSA-N -1 1 364.383 2.182 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000592071844 672747378 /nfs/dbraw/zinc/74/73/78/672747378.db2.gz QTLVONRQXJMUEI-AWEZNQCLSA-N -1 1 356.448 2.448 20 5 FEBDMM CC(C)(C)OC(=O)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC1 ZINC000594425301 673070992 /nfs/dbraw/zinc/07/09/92/673070992.db2.gz SEDVDAVIUBQMOM-UHFFFAOYSA-N -1 1 351.359 2.032 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])n1 ZINC000594486906 673090045 /nfs/dbraw/zinc/09/00/45/673090045.db2.gz KNPSQKNEFQVZEC-VIFPVBQESA-N -1 1 366.390 2.304 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594486447 673090167 /nfs/dbraw/zinc/09/01/67/673090167.db2.gz FZKOSLCHPGFVOL-PWSUYJOCSA-N -1 1 368.333 2.373 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCC(F)(F)F)s1 ZINC000537655748 673399701 /nfs/dbraw/zinc/39/97/01/673399701.db2.gz IEIPRJUIVSNMJT-UHFFFAOYSA-N -1 1 350.365 2.230 20 5 FEBDMM CC(C)(C)n1nnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000596799324 673414284 /nfs/dbraw/zinc/41/42/84/673414284.db2.gz BCFUQUURWSUAMF-UHFFFAOYSA-N -1 1 356.289 2.190 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000538757013 673456261 /nfs/dbraw/zinc/45/62/61/673456261.db2.gz NQPYQPYHMMLRSJ-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000599207091 673640986 /nfs/dbraw/zinc/64/09/86/673640986.db2.gz KWWVMECVKNTNQR-NSHDSACASA-N -1 1 364.427 2.247 20 5 FEBDMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599228362 673644525 /nfs/dbraw/zinc/64/45/25/673644525.db2.gz BCKTXHUGNOUOLW-LBPRGKRZSA-N -1 1 368.415 2.157 20 5 FEBDMM COC(=O)CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000747290445 673920019 /nfs/dbraw/zinc/92/00/19/673920019.db2.gz HFELHDKCOGBKKR-UHFFFAOYSA-N -1 1 374.390 2.278 20 5 FEBDMM CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548531527 673966628 /nfs/dbraw/zinc/96/66/28/673966628.db2.gz SPUFOLRUFACAFA-ZETCQYMHSA-N -1 1 357.171 2.043 20 5 FEBDMM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000566369058 675208739 /nfs/dbraw/zinc/20/87/39/675208739.db2.gz ZUWJTDCJIUBOIY-HUUCEWRRSA-N -1 1 352.387 2.446 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000828288180 675810820 /nfs/dbraw/zinc/81/08/20/675810820.db2.gz CBYAKUIYUWCJCX-BQBZGAKWSA-N -1 1 355.199 2.357 20 5 FEBDMM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000829812022 677013798 /nfs/dbraw/zinc/01/37/98/677013798.db2.gz NAMFMZVBAWLUIS-ZETCQYMHSA-N -1 1 353.194 2.134 20 5 FEBDMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832029973 680078502 /nfs/dbraw/zinc/07/85/02/680078502.db2.gz FVXPGBMMEYYAPO-ZETCQYMHSA-N -1 1 354.787 2.215 20 5 FEBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000832124803 680098410 /nfs/dbraw/zinc/09/84/10/680098410.db2.gz PDQCLTAEXMPXRX-LBPRGKRZSA-N -1 1 354.787 2.481 20 5 FEBDMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000832180885 680107040 /nfs/dbraw/zinc/10/70/40/680107040.db2.gz WEJVHOIGHFGWFW-YPMHNXCESA-N -1 1 360.407 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)cc1Cl ZINC000832318032 680123158 /nfs/dbraw/zinc/12/31/58/680123158.db2.gz SMXFRVVRJSIIFM-GFCCVEGCSA-N -1 1 364.782 2.235 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2(CO)CC2)c1Cl ZINC000832450549 680135532 /nfs/dbraw/zinc/13/55/32/680135532.db2.gz MSBMTTOGWHSOOB-UHFFFAOYSA-N -1 1 369.226 2.343 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751488103 680182165 /nfs/dbraw/zinc/18/21/65/680182165.db2.gz QSSTUMKALHOOKM-VFZGTOFNSA-N -1 1 372.349 2.273 20 5 FEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)O1 ZINC000841560477 680898138 /nfs/dbraw/zinc/89/81/38/680898138.db2.gz MCFFQDHYHMSPPU-IWSPIJDZSA-N -1 1 366.798 2.479 20 5 FEBDMM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834148 680960269 /nfs/dbraw/zinc/96/02/69/680960269.db2.gz PYQDQSQMWWWZTM-GFCCVEGCSA-N -1 1 354.413 2.111 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000774939888 681254146 /nfs/dbraw/zinc/25/41/46/681254146.db2.gz PJQVHKBTXRNGQB-UHFFFAOYSA-N -1 1 359.260 2.302 20 5 FEBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000775284158 681291775 /nfs/dbraw/zinc/29/17/75/681291775.db2.gz KXXHFWQVLNBRIU-UHFFFAOYSA-N -1 1 362.367 2.060 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000777932633 681544971 /nfs/dbraw/zinc/54/49/71/681544971.db2.gz KNNMYTZKBQPRGA-UHFFFAOYSA-N -1 1 370.358 2.214 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nccn1C ZINC000851855739 682164082 /nfs/dbraw/zinc/16/40/82/682164082.db2.gz VMGBNOPYBWYDPK-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853986403 682499298 /nfs/dbraw/zinc/49/92/98/682499298.db2.gz HMFSQMLRJWXOIO-SCZZXKLOSA-N -1 1 363.340 2.013 20 5 FEBDMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000793464230 682890721 /nfs/dbraw/zinc/89/07/21/682890721.db2.gz NVORUTLTFOPMDD-UHFFFAOYSA-N -1 1 365.367 2.422 20 5 FEBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000795241768 683031734 /nfs/dbraw/zinc/03/17/34/683031734.db2.gz OPVNRMKCJQQLOZ-JTQLQIEISA-N -1 1 362.379 2.133 20 5 FEBDMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859300373 683077650 /nfs/dbraw/zinc/07/76/50/683077650.db2.gz YOWCVKWBODOFKZ-VIFPVBQESA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOCC2CC2)cc1Cl ZINC000798225475 683324357 /nfs/dbraw/zinc/32/43/57/683324357.db2.gz YJJSBRSDUHBGRV-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000921577585 683507677 /nfs/dbraw/zinc/50/76/77/683507677.db2.gz LRNJIRHMUOXUDQ-SFYZADRCSA-N -1 1 374.362 2.435 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCOC1 ZINC000867735578 684366431 /nfs/dbraw/zinc/36/64/31/684366431.db2.gz HKOFVROMDUWKEZ-SMDDNHRTSA-N -1 1 358.391 2.217 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1OC(F)F ZINC000025298936 539754087 /nfs/dbraw/zinc/75/40/87/539754087.db2.gz VRKBQBHACIQQNH-QMMMGPOBSA-N -1 1 353.281 2.376 20 5 FEBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000030007908 539872180 /nfs/dbraw/zinc/87/21/80/539872180.db2.gz ZLQCSLFJFJUMPI-PRHODGIISA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000800967039 674094967 /nfs/dbraw/zinc/09/49/67/674094967.db2.gz RTXTWKYRMFMMKB-AWEZNQCLSA-N -1 1 368.386 2.363 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)n(C)c2c1 ZINC000102320901 543064943 /nfs/dbraw/zinc/06/49/43/543064943.db2.gz MIVLYKLHTHYVFL-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM Cc1nc2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120415847 543679676 /nfs/dbraw/zinc/67/96/76/543679676.db2.gz UAXMAPDPGGSIJT-UHFFFAOYSA-N -1 1 355.354 2.174 20 5 FEBDMM CCC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000136721211 544378082 /nfs/dbraw/zinc/37/80/82/544378082.db2.gz VOOXKSFJMBGIRS-SNVBAGLBSA-N -1 1 368.781 2.188 20 5 FEBDMM CNc1nccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000553096615 674238833 /nfs/dbraw/zinc/23/88/33/674238833.db2.gz WEZYCZIJRJOGCN-UHFFFAOYSA-N -1 1 362.396 2.864 20 5 FEBDMM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187062261 328000050 /nfs/dbraw/zinc/00/00/50/328000050.db2.gz MEUKTSGMQFFGQU-UHFFFAOYSA-N -1 1 372.312 2.462 20 5 FEBDMM O=C(NCCCCOCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193436656 328375429 /nfs/dbraw/zinc/37/54/29/328375429.db2.gz SPHAOOJUIMSELL-UHFFFAOYSA-N -1 1 359.382 2.465 20 5 FEBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000193625586 328386268 /nfs/dbraw/zinc/38/62/68/328386268.db2.gz VYMFNXNGKLTFRV-ZUZCIYMTSA-N -1 1 361.329 2.437 20 5 FEBDMM Cc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1C ZINC000193765360 328393969 /nfs/dbraw/zinc/39/39/69/328393969.db2.gz SLKASQNVSMYDFW-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016498279 324385747 /nfs/dbraw/zinc/38/57/47/324385747.db2.gz FAKYVEKEPKMYCE-UHFFFAOYSA-N -1 1 367.365 2.428 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000173519663 327263427 /nfs/dbraw/zinc/26/34/27/327263427.db2.gz GZCJMJBMHUKBOX-UHFFFAOYSA-N -1 1 360.189 2.164 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155861131 545576837 /nfs/dbraw/zinc/57/68/37/545576837.db2.gz CFLKVEVFBXTQLH-FZQKWOKYSA-N -1 1 372.830 2.484 20 5 FEBDMM O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000478444918 561166994 /nfs/dbraw/zinc/16/69/94/561166994.db2.gz GQZDLFMJYNBMCY-JTQLQIEISA-N -1 1 372.164 2.466 20 5 FEBDMM CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])c1[N+](=O)[O-] ZINC000270432311 550272058 /nfs/dbraw/zinc/27/20/58/550272058.db2.gz GDUMILXJTIYXHK-UHFFFAOYSA-N -1 1 362.342 2.405 20 5 FEBDMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000273600614 550504938 /nfs/dbraw/zinc/50/49/38/550504938.db2.gz YDOVFWDHTUWIHD-IUODEOHRSA-N -1 1 361.329 2.485 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)c1 ZINC000280706322 551023575 /nfs/dbraw/zinc/02/35/75/551023575.db2.gz GCLPAQLKLSTZLC-OAHLLOKOSA-N -1 1 359.382 2.342 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000285220758 551722869 /nfs/dbraw/zinc/72/28/69/551722869.db2.gz XUEYTCQWRZOCMO-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM COc1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290753663 552532041 /nfs/dbraw/zinc/53/20/41/552532041.db2.gz SVPMGQORIMRGGM-SNVBAGLBSA-N -1 1 361.320 2.498 20 5 FEBDMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290859579 552551025 /nfs/dbraw/zinc/55/10/25/552551025.db2.gz XFBKGBAKZVNFLQ-SSDOTTSWSA-N -1 1 357.215 2.198 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(C3CCOCC3)c2C)n1 ZINC000295010682 552951342 /nfs/dbraw/zinc/95/13/42/552951342.db2.gz SWQYPWLQZIPJTM-UHFFFAOYSA-N -1 1 361.358 2.376 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c1Cl ZINC000296328414 553141910 /nfs/dbraw/zinc/14/19/10/553141910.db2.gz QOAMTRLLRLEBIH-YUMQZZPRSA-N -1 1 369.226 2.341 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000507006279 561713930 /nfs/dbraw/zinc/71/39/30/561713930.db2.gz GNRNBZWDNFCNPD-UHFFFAOYSA-N -1 1 350.352 2.434 20 5 FEBDMM CC[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CCC(=O)NC1=O ZINC000509367511 561796809 /nfs/dbraw/zinc/79/68/09/561796809.db2.gz UGZZJLGSQFZGAO-SFHVURJKSA-N -1 1 370.365 2.260 20 5 FEBDMM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000511300189 561864440 /nfs/dbraw/zinc/86/44/40/561864440.db2.gz KCKRFYKDZGUIDA-ZDUSSCGKSA-N -1 1 370.818 2.411 20 5 FEBDMM COc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1C(=O)[O-] ZINC000512297031 561899060 /nfs/dbraw/zinc/89/90/60/561899060.db2.gz YLCYHURGXKHFJJ-UHFFFAOYSA-N -1 1 370.321 2.108 20 5 FEBDMM C[C@@H]1CN(Cc2ccccc2)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000382587857 558604386 /nfs/dbraw/zinc/60/43/86/558604386.db2.gz VUVIHZSEANVDDV-CYBMUJFWSA-N -1 1 356.382 2.399 20 5 FEBDMM CCOc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000410054629 558735436 /nfs/dbraw/zinc/73/54/36/558735436.db2.gz LSZRUQPCCPUZRL-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525187060 562242247 /nfs/dbraw/zinc/24/22/47/562242247.db2.gz MDGMOKQXUVLUMI-CYBMUJFWSA-N -1 1 365.411 2.352 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000525189497 562242490 /nfs/dbraw/zinc/24/24/90/562242490.db2.gz JVKXIJMMPDFIDC-UHFFFAOYSA-N -1 1 363.395 2.257 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000414439450 559164031 /nfs/dbraw/zinc/16/40/31/559164031.db2.gz FYVUIZXDJUNNRG-UHFFFAOYSA-N -1 1 350.400 2.473 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000416538239 559320484 /nfs/dbraw/zinc/32/04/84/559320484.db2.gz AHEDBGXNGMHWMU-UHFFFAOYSA-N -1 1 373.822 2.142 20 5 FEBDMM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000416538239 559320486 /nfs/dbraw/zinc/32/04/86/559320486.db2.gz AHEDBGXNGMHWMU-UHFFFAOYSA-N -1 1 373.822 2.142 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)s1 ZINC000431287985 559837073 /nfs/dbraw/zinc/83/70/73/559837073.db2.gz ALPLAULURUNGAW-UHFFFAOYSA-N -1 1 370.408 2.296 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000432662397 559862840 /nfs/dbraw/zinc/86/28/40/559862840.db2.gz ZNKCDDANQBEBLL-UHFFFAOYSA-N -1 1 350.356 2.144 20 5 FEBDMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000433736034 559887039 /nfs/dbraw/zinc/88/70/39/559887039.db2.gz PUQFITPBNBEHLC-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000435809640 559930455 /nfs/dbraw/zinc/93/04/55/559930455.db2.gz QFLRFZROXMWHKF-CQSZACIVSA-N -1 1 352.416 2.487 20 5 FEBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442244216 560046620 /nfs/dbraw/zinc/04/66/20/560046620.db2.gz SECIOEYECBMZOU-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CC(C)(C)OC(=O)CCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445006086 560126568 /nfs/dbraw/zinc/12/65/68/560126568.db2.gz AZZIYBPJLLURHT-UHFFFAOYSA-N -1 1 353.375 2.327 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457146857 560553129 /nfs/dbraw/zinc/55/31/29/560553129.db2.gz XACOAJZNTXHSFC-UHFFFAOYSA-N -1 1 369.377 2.400 20 5 FEBDMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000466906630 560898894 /nfs/dbraw/zinc/89/88/94/560898894.db2.gz QHEXPMGEKPITIM-UHFFFAOYSA-N -1 1 350.418 2.057 20 5 FEBDMM O=C(NC1CCCC1)c1ccc(=NCCNc2ccccc2[N+](=O)[O-])[n-]n1 ZINC000468624591 560934292 /nfs/dbraw/zinc/93/42/92/560934292.db2.gz BUIQNWHHCQASTI-UHFFFAOYSA-N -1 1 370.413 2.581 20 5 FEBDMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000477118695 561137166 /nfs/dbraw/zinc/13/71/66/561137166.db2.gz IDQKYAVBJZKCNQ-UHFFFAOYSA-N -1 1 366.351 2.052 20 5 FEBDMM Cc1ccc(NCCCNc2cccc(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000737361543 598856447 /nfs/dbraw/zinc/85/64/47/598856447.db2.gz IRPDQOXZSKTIMQ-UHFFFAOYSA-N -1 1 354.374 2.392 20 5 FEBDMM Cc1ccc(NCCCNc2cccc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000737361543 598856449 /nfs/dbraw/zinc/85/64/49/598856449.db2.gz IRPDQOXZSKTIMQ-UHFFFAOYSA-N -1 1 354.374 2.392 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1nccnc1-c1nn[n-]n1 ZINC000823634910 599053527 /nfs/dbraw/zinc/05/35/27/599053527.db2.gz NZPWBVXZTLJESF-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=C(CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000826407859 607452686 /nfs/dbraw/zinc/45/26/86/607452686.db2.gz FCZATNLLUSCMCY-UHFFFAOYSA-N -1 1 359.390 2.026 20 5 FEBDMM O=C(CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000826407859 607452687 /nfs/dbraw/zinc/45/26/87/607452687.db2.gz FCZATNLLUSCMCY-UHFFFAOYSA-N -1 1 359.390 2.026 20 5 FEBDMM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829161070 601270524 /nfs/dbraw/zinc/27/05/24/601270524.db2.gz MMYIZMXVJOFBIX-CABCVRRESA-N -1 1 361.398 2.382 20 5 FEBDMM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830633140 677051721 /nfs/dbraw/zinc/05/17/21/677051721.db2.gz JTEXISHJTDPEKL-LBPRGKRZSA-N -1 1 369.226 2.341 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCC2)c1Cl ZINC000830614365 677050754 /nfs/dbraw/zinc/05/07/54/677050754.db2.gz GWHHUIVCVOSMKZ-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM Cc1c(NC(=O)CCN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000740050749 602831452 /nfs/dbraw/zinc/83/14/52/602831452.db2.gz TWWLXYQEEMPLJC-RYUDHWBXSA-N -1 1 364.402 2.304 20 5 FEBDMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809805995 674510962 /nfs/dbraw/zinc/51/09/62/674510962.db2.gz ACCUCCQHXVXTEO-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826467410 607596587 /nfs/dbraw/zinc/59/65/87/607596587.db2.gz VCVJNCMZJBJGTE-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826467410 607596588 /nfs/dbraw/zinc/59/65/88/607596588.db2.gz VCVJNCMZJBJGTE-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM Cc1c(NC(=O)[C@@H](C)N(C)CC(C)(C)CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829876559 603629831 /nfs/dbraw/zinc/62/98/31/603629831.db2.gz GOMDZYYEERKPRL-GFCCVEGCSA-N -1 1 366.418 2.456 20 5 FEBDMM CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(C(=O)[O-])CC1 ZINC000828350732 603994787 /nfs/dbraw/zinc/99/47/87/603994787.db2.gz OEOHFPFYJQYTSR-UHFFFAOYSA-N -1 1 351.359 2.036 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000830138005 604039810 /nfs/dbraw/zinc/03/98/10/604039810.db2.gz JGNIYQNQJKFGMH-UHFFFAOYSA-N -1 1 366.355 2.497 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453284 605390399 /nfs/dbraw/zinc/39/03/99/605390399.db2.gz JMDKUMCQHXXXPN-UHFFFAOYSA-N -1 1 353.379 2.092 20 5 FEBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833812956 605604367 /nfs/dbraw/zinc/60/43/67/605604367.db2.gz MNTXKMCVDLHPAO-NWDGAFQWSA-N -1 1 365.386 2.234 20 5 FEBDMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000834288154 605780306 /nfs/dbraw/zinc/78/03/06/605780306.db2.gz UNKWXFIIJIRJSY-IAQYHMDHSA-N -1 1 363.370 2.295 20 5 FEBDMM CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000833854390 605785298 /nfs/dbraw/zinc/78/52/98/605785298.db2.gz SWZGSJNVLAHFLW-UHFFFAOYSA-N -1 1 351.359 2.295 20 5 FEBDMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819891866 606648620 /nfs/dbraw/zinc/64/86/20/606648620.db2.gz JEDXVVDHDTZPAC-UHFFFAOYSA-N -1 1 368.353 2.191 20 5 FEBDMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819891866 606648621 /nfs/dbraw/zinc/64/86/21/606648621.db2.gz JEDXVVDHDTZPAC-UHFFFAOYSA-N -1 1 368.353 2.191 20 5 FEBDMM COc1ccc(CCCN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821790058 606701366 /nfs/dbraw/zinc/70/13/66/606701366.db2.gz GRYWKAVHJGUFHN-UHFFFAOYSA-N -1 1 369.385 2.248 20 5 FEBDMM COc1ccc(CCCN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821790058 606701367 /nfs/dbraw/zinc/70/13/67/606701367.db2.gz GRYWKAVHJGUFHN-UHFFFAOYSA-N -1 1 369.385 2.248 20 5 FEBDMM COc1ccc([C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000821787781 606704587 /nfs/dbraw/zinc/70/45/87/606704587.db2.gz ZWJOWSGUZBBRAK-GFCCVEGCSA-N -1 1 367.369 2.172 20 5 FEBDMM COc1ccc([C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000821787781 606704589 /nfs/dbraw/zinc/70/45/89/606704589.db2.gz ZWJOWSGUZBBRAK-GFCCVEGCSA-N -1 1 367.369 2.172 20 5 FEBDMM Cc1csc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822410147 606705163 /nfs/dbraw/zinc/70/51/63/606705163.db2.gz XOIANAXKABMZSF-JTQLQIEISA-N -1 1 372.414 2.319 20 5 FEBDMM Cc1csc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822410147 606705165 /nfs/dbraw/zinc/70/51/65/606705165.db2.gz XOIANAXKABMZSF-JTQLQIEISA-N -1 1 372.414 2.319 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000823620876 606712725 /nfs/dbraw/zinc/71/27/25/606712725.db2.gz RSKBDSFTCCVIHD-LBPRGKRZSA-N -1 1 369.360 2.378 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000823620876 606712726 /nfs/dbraw/zinc/71/27/26/606712726.db2.gz RSKBDSFTCCVIHD-LBPRGKRZSA-N -1 1 369.360 2.378 20 5 FEBDMM CN(Cc1nc2c(s1)CCCC2)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821617101 606715507 /nfs/dbraw/zinc/71/55/07/606715507.db2.gz WWRMRYUIWKPDPP-UHFFFAOYSA-N -1 1 372.414 2.142 20 5 FEBDMM CN(Cc1nc2c(s1)CCCC2)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821617101 606715508 /nfs/dbraw/zinc/71/55/08/606715508.db2.gz WWRMRYUIWKPDPP-UHFFFAOYSA-N -1 1 372.414 2.142 20 5 FEBDMM CC(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccnc1 ZINC000820021274 606717863 /nfs/dbraw/zinc/71/78/63/606717863.db2.gz SCNRLZUNPPWEJO-CYBMUJFWSA-N -1 1 354.374 2.417 20 5 FEBDMM CC(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccnc1 ZINC000820021274 606717865 /nfs/dbraw/zinc/71/78/65/606717865.db2.gz SCNRLZUNPPWEJO-CYBMUJFWSA-N -1 1 354.374 2.417 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820778060 606719506 /nfs/dbraw/zinc/71/95/06/606719506.db2.gz UWFXJWUJNAHMEA-CABZTGNLSA-N -1 1 373.398 2.198 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820778060 606719507 /nfs/dbraw/zinc/71/95/07/606719507.db2.gz UWFXJWUJNAHMEA-CABZTGNLSA-N -1 1 373.398 2.198 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCn1cnc2ccccc21 ZINC000823625607 607165549 /nfs/dbraw/zinc/16/55/49/607165549.db2.gz ZQIGRMXXXWXKFL-UHFFFAOYSA-N -1 1 365.357 2.022 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCn1cnc2ccccc21 ZINC000823625607 607165551 /nfs/dbraw/zinc/16/55/51/607165551.db2.gz ZQIGRMXXXWXKFL-UHFFFAOYSA-N -1 1 365.357 2.022 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1cccnc1 ZINC000814982219 674892443 /nfs/dbraw/zinc/89/24/43/674892443.db2.gz RLLFLRGRWXWLHJ-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC000815018676 674898533 /nfs/dbraw/zinc/89/85/33/674898533.db2.gz XTSAEWCYOQBEFB-IUCAKERBSA-N -1 1 366.798 2.217 20 5 FEBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029305 674902363 /nfs/dbraw/zinc/90/23/63/674902363.db2.gz RAUONFLTEVUTIY-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000609836652 675938445 /nfs/dbraw/zinc/93/84/45/675938445.db2.gz IWSCPJOXUZXPKS-SNVBAGLBSA-N -1 1 362.415 2.174 20 5 FEBDMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119472843 671900676 /nfs/dbraw/zinc/90/06/76/671900676.db2.gz SVZSLJXHMHKYLE-ZDUSSCGKSA-N -1 1 354.359 2.054 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1F ZINC000129962957 672068816 /nfs/dbraw/zinc/06/88/16/672068816.db2.gz XKSNJAYGRQBADB-UHFFFAOYSA-N -1 1 370.318 2.334 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000592071845 672747508 /nfs/dbraw/zinc/74/75/08/672747508.db2.gz QTLVONRQXJMUEI-CQSZACIVSA-N -1 1 356.448 2.448 20 5 FEBDMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194440298 672759669 /nfs/dbraw/zinc/75/96/69/672759669.db2.gz NICGGKKJSJOTFQ-UHFFFAOYSA-N -1 1 372.834 2.120 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000593740450 672985745 /nfs/dbraw/zinc/98/57/45/672985745.db2.gz YXIYXQIGMZQYIP-HNNXBMFYSA-N -1 1 350.371 2.063 20 5 FEBDMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000728933147 673215749 /nfs/dbraw/zinc/21/57/49/673215749.db2.gz JHPDIEKPJDPQLJ-UHFFFAOYSA-N -1 1 365.198 2.114 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000595384829 673239277 /nfs/dbraw/zinc/23/92/77/673239277.db2.gz OVCQUDNPMTYDSO-UHFFFAOYSA-N -1 1 356.448 2.448 20 5 FEBDMM Cc1cn2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2n1 ZINC000739384124 673631540 /nfs/dbraw/zinc/63/15/40/673631540.db2.gz AZMIKBNBMUNMDC-UHFFFAOYSA-N -1 1 350.331 2.491 20 5 FEBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599208011 673641214 /nfs/dbraw/zinc/64/12/14/673641214.db2.gz YHZCBWGFXKCILD-ZDUSSCGKSA-N -1 1 352.416 2.394 20 5 FEBDMM C[C@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599277891 673652613 /nfs/dbraw/zinc/65/26/13/673652613.db2.gz KOSWGROHZMFWQZ-XHDPSFHLSA-N -1 1 364.427 2.320 20 5 FEBDMM COC(=O)[C@](C)([N-]S(=O)(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599485618 673682315 /nfs/dbraw/zinc/68/23/15/673682315.db2.gz GWFXVXGCGMEVOX-MRXNPFEDSA-N -1 1 370.427 2.093 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000547323115 673842708 /nfs/dbraw/zinc/84/27/08/673842708.db2.gz JQUDCVAIPADUIL-UONOGXRCSA-N -1 1 363.395 2.188 20 5 FEBDMM C[C@H]1CC[C@@](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000548556947 673971333 /nfs/dbraw/zinc/97/13/33/673971333.db2.gz QWQTUZYWKQELAG-BONVTDFDSA-N -1 1 374.390 2.293 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000567294088 675281920 /nfs/dbraw/zinc/28/19/20/675281920.db2.gz UYZBLSSRBNGYSM-GZMMTYOYSA-N -1 1 355.322 2.102 20 5 FEBDMM O=C(CSC1(CO)CCCCC1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840210331 680807585 /nfs/dbraw/zinc/80/75/85/680807585.db2.gz WZGDMGNILFJQSE-UHFFFAOYSA-N -1 1 352.412 2.280 20 5 FEBDMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832511254 680141737 /nfs/dbraw/zinc/14/17/37/680141737.db2.gz QOTBWKPKDXBFGC-NSHDSACASA-N -1 1 352.771 2.091 20 5 FEBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832620133 680156511 /nfs/dbraw/zinc/15/65/11/680156511.db2.gz CETQVVVEPIWPJL-UHFFFAOYSA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C1CCCCC1 ZINC000751476344 680180916 /nfs/dbraw/zinc/18/09/16/680180916.db2.gz RSIXXEQDPDNAFV-LBPRGKRZSA-N -1 1 362.835 2.468 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)co1 ZINC000756400546 680476644 /nfs/dbraw/zinc/47/66/44/680476644.db2.gz AUXPHNQEXAWXSR-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CCN(CC)C(=S)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000771109424 681042556 /nfs/dbraw/zinc/04/25/56/681042556.db2.gz PILNASIMPCNRDC-UHFFFAOYSA-N -1 1 355.441 2.211 20 5 FEBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000845969618 681167050 /nfs/dbraw/zinc/16/70/50/681167050.db2.gz ROPHXQNOVQWXTQ-KOLCDFICSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc([N+](=O)[O-])c1F ZINC000776460390 681393393 /nfs/dbraw/zinc/39/33/93/681393393.db2.gz WZYAGFSVGQBFLX-UHFFFAOYSA-N -1 1 370.314 2.247 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000790387484 682673016 /nfs/dbraw/zinc/67/30/16/682673016.db2.gz PUQWWAKQPAXGDH-UHFFFAOYSA-N -1 1 364.358 2.131 20 5 FEBDMM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CO2 ZINC000859264668 683068652 /nfs/dbraw/zinc/06/86/52/683068652.db2.gz COJQLJGWRULOFJ-NSHDSACASA-N -1 1 366.370 2.324 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859340366 683087166 /nfs/dbraw/zinc/08/71/66/683087166.db2.gz FKJHKEQCAQRMNY-LJYOZPSBSA-N -1 1 366.798 2.478 20 5 FEBDMM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796100559 683127574 /nfs/dbraw/zinc/12/75/74/683127574.db2.gz SVWVLQXNXPCVCP-IINYFYTJSA-N -1 1 356.425 2.365 20 5 FEBDMM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000796242017 683144817 /nfs/dbraw/zinc/14/48/17/683144817.db2.gz ZUNZCGQQJCCCEG-QFIPXVFZSA-N -1 1 374.465 2.013 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000006316071 539424926 /nfs/dbraw/zinc/42/49/26/539424926.db2.gz HTDPOMUBJAGMMU-UHFFFAOYSA-N -1 1 365.367 2.363 20 5 FEBDMM CCCOC1(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCCCC1 ZINC000549910764 674070078 /nfs/dbraw/zinc/07/00/78/674070078.db2.gz XESYUYWVHAFZDW-UHFFFAOYSA-N -1 1 374.463 2.219 20 5 FEBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000029336746 539850637 /nfs/dbraw/zinc/85/06/37/539850637.db2.gz VFFGNVYORQPZDP-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c(C)c1 ZINC000029433755 539852835 /nfs/dbraw/zinc/85/28/35/539852835.db2.gz DOCAKMDCHVMLFN-UHFFFAOYSA-N -1 1 365.411 2.417 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000031398537 539906963 /nfs/dbraw/zinc/90/69/63/539906963.db2.gz YBIKKMUVHZVBPC-SNVBAGLBSA-N -1 1 370.365 2.123 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000032589866 539943420 /nfs/dbraw/zinc/94/34/20/539943420.db2.gz KCNIEWLGOLRITO-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM COC(=O)c1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])oc1C ZINC000056043119 540696520 /nfs/dbraw/zinc/69/65/20/540696520.db2.gz YFTNBGALINJYFV-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)s1 ZINC000064245085 541197289 /nfs/dbraw/zinc/19/72/89/541197289.db2.gz PJHZCBBGNUWKFF-UHFFFAOYSA-N -1 1 368.440 2.130 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000550791287 674110581 /nfs/dbraw/zinc/11/05/81/674110581.db2.gz DKDIMENRLXNUTB-UHFFFAOYSA-N -1 1 350.278 2.279 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)n[nH]1 ZINC000103282049 543100462 /nfs/dbraw/zinc/10/04/62/543100462.db2.gz DLGSOHWVTXLZHA-HNNXBMFYSA-N -1 1 353.338 2.246 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000123410314 543760123 /nfs/dbraw/zinc/76/01/23/543760123.db2.gz RBMAEPIIOFBPQE-SECBINFHSA-N -1 1 368.242 2.322 20 5 FEBDMM CC(C)(CO)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000154086713 544863296 /nfs/dbraw/zinc/86/32/96/544863296.db2.gz JRUINCJRSWEUTJ-HNNXBMFYSA-N -1 1 359.382 2.228 20 5 FEBDMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185861161 327936207 /nfs/dbraw/zinc/93/62/07/327936207.db2.gz HSJYYFAUZXONIC-UHFFFAOYSA-N -1 1 353.338 2.358 20 5 FEBDMM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1=N ZINC000118838602 326106655 /nfs/dbraw/zinc/10/66/55/326106655.db2.gz RVQLUNVCWVBIMA-UHFFFAOYSA-N -1 1 373.413 2.218 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246179924 328596740 /nfs/dbraw/zinc/59/67/40/328596740.db2.gz DBHHCJHFCAXATI-VCTAVGKDSA-N -1 1 370.402 2.360 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1noc(-c2ccccc2)n1 ZINC000155030386 326775655 /nfs/dbraw/zinc/77/56/55/326775655.db2.gz PLNZSIPWOJDLIV-VIFPVBQESA-N -1 1 355.310 2.236 20 5 FEBDMM CCOc1ncccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156642329 326838939 /nfs/dbraw/zinc/83/89/39/326838939.db2.gz KDXCZUYBJAJVFT-UHFFFAOYSA-N -1 1 351.384 2.373 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000162638861 327030528 /nfs/dbraw/zinc/03/05/28/327030528.db2.gz JIKATVLTWXTWRE-DGCLKSJQSA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163209506 327045919 /nfs/dbraw/zinc/04/59/19/327045919.db2.gz LLZWUWFFJOLREM-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000175348862 327388423 /nfs/dbraw/zinc/38/84/23/327388423.db2.gz DCGSXBHJZDDBRM-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000273600608 329878154 /nfs/dbraw/zinc/87/81/54/329878154.db2.gz YDOVFWDHTUWIHD-DOMZBBRYSA-N -1 1 361.329 2.485 20 5 FEBDMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479235444 561185502 /nfs/dbraw/zinc/18/55/02/561185502.db2.gz DJFCELVWJHGTLZ-SECBINFHSA-N -1 1 364.807 2.114 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000176423085 546443594 /nfs/dbraw/zinc/44/35/94/546443594.db2.gz VZUPTGJICKGYIG-UHFFFAOYSA-N -1 1 364.427 2.415 20 5 FEBDMM O=C(NCc1ccc(OC2CCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484239918 561294260 /nfs/dbraw/zinc/29/42/60/561294260.db2.gz BZROYJSODISDEE-UHFFFAOYSA-N -1 1 358.354 2.342 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000485205254 561314738 /nfs/dbraw/zinc/31/47/38/561314738.db2.gz BJZHDXNNKHMLAJ-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000486029978 561335898 /nfs/dbraw/zinc/33/58/98/561335898.db2.gz QLQYFGQKEDVSLR-INIZCTEOSA-N -1 1 366.333 2.295 20 5 FEBDMM C[C@H](c1ccsc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000194013881 548421785 /nfs/dbraw/zinc/42/17/85/548421785.db2.gz SLZWANGBXMRSSS-LLVKDONJSA-N -1 1 362.411 2.276 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000194596745 548503070 /nfs/dbraw/zinc/50/30/70/548503070.db2.gz WNTPZKBDVMMFDA-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)[N-]c2ccccc2SCC(N)=O)c1[N+](=O)[O-] ZINC000269364924 550186167 /nfs/dbraw/zinc/18/61/67/550186167.db2.gz KLCPFSZSASPNHU-UHFFFAOYSA-N -1 1 363.399 2.271 20 5 FEBDMM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000270536829 550281690 /nfs/dbraw/zinc/28/16/90/550281690.db2.gz ANGWQJYWSCRQGP-QMMMGPOBSA-N -1 1 357.367 2.015 20 5 FEBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000270536829 550281693 /nfs/dbraw/zinc/28/16/93/550281693.db2.gz ANGWQJYWSCRQGP-QMMMGPOBSA-N -1 1 357.367 2.015 20 5 FEBDMM CC(C)Sc1n[nH]c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000271100445 550340655 /nfs/dbraw/zinc/34/06/55/550340655.db2.gz JYRDJQAUOUJDOL-UHFFFAOYSA-N -1 1 371.444 2.198 20 5 FEBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000272441809 550448356 /nfs/dbraw/zinc/44/83/56/550448356.db2.gz RCUTVMLBCKZMGC-LBPRGKRZSA-N -1 1 358.347 2.383 20 5 FEBDMM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000276962568 550616182 /nfs/dbraw/zinc/61/61/82/550616182.db2.gz PIDWUFNYZNIPDO-RKDXNWHRSA-N -1 1 371.394 2.405 20 5 FEBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000276962568 550616184 /nfs/dbraw/zinc/61/61/84/550616184.db2.gz PIDWUFNYZNIPDO-RKDXNWHRSA-N -1 1 371.394 2.405 20 5 FEBDMM COC(=O)c1c[n-]c(SCCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000278715259 550814112 /nfs/dbraw/zinc/81/41/12/550814112.db2.gz SEEMIPMLMYDDPY-UHFFFAOYSA-N -1 1 353.356 2.284 20 5 FEBDMM COc1cccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000282049117 551174250 /nfs/dbraw/zinc/17/42/50/551174250.db2.gz ZJQIUMGXYYDQPT-UHFFFAOYSA-N -1 1 361.320 2.498 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000289604974 552348267 /nfs/dbraw/zinc/34/82/67/552348267.db2.gz RVGUEFYVRUCPOG-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM O=C(NCCCOc1cccc2cccnc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000500945096 561586152 /nfs/dbraw/zinc/58/61/52/561586152.db2.gz RHIXJMLNMMAJJR-UHFFFAOYSA-N -1 1 368.349 2.443 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)c(Cl)cc1Cl ZINC000290662603 552515120 /nfs/dbraw/zinc/51/51/20/552515120.db2.gz FUVHPLITBVUQTJ-JGVFFNPUSA-N -1 1 367.210 2.117 20 5 FEBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290817262 552543210 /nfs/dbraw/zinc/54/32/10/552543210.db2.gz SRZNUBGEIAUXAC-JGVFFNPUSA-N -1 1 354.787 2.073 20 5 FEBDMM CCOCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)no1 ZINC000290949630 552567122 /nfs/dbraw/zinc/56/71/22/552567122.db2.gz PTRBFUVRXGCNCX-VIFPVBQESA-N -1 1 370.312 2.484 20 5 FEBDMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000292562659 552738430 /nfs/dbraw/zinc/73/84/30/552738430.db2.gz NYBQOQHTIYXGGL-UHFFFAOYSA-N -1 1 355.350 2.392 20 5 FEBDMM CC(C)c1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)no1 ZINC000293836649 552861085 /nfs/dbraw/zinc/86/10/85/552861085.db2.gz AVBVZTGXNHMLNQ-UHFFFAOYSA-N -1 1 361.358 2.222 20 5 FEBDMM Cc1cccnc1CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000296164211 553115379 /nfs/dbraw/zinc/11/53/79/553115379.db2.gz SYODRCKLCWZBEQ-UHFFFAOYSA-N -1 1 353.375 2.348 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c1Cl ZINC000296328411 553141704 /nfs/dbraw/zinc/14/17/04/553141704.db2.gz QOAMTRLLRLEBIH-SFYZADRCSA-N -1 1 369.226 2.341 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)ccc1O ZINC000326514838 553781233 /nfs/dbraw/zinc/78/12/33/553781233.db2.gz SKQKGUKMAQYVNI-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332246280 554408865 /nfs/dbraw/zinc/40/88/65/554408865.db2.gz BJDOQGDNYOKIMY-QMMMGPOBSA-N -1 1 352.734 2.357 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332318871 554424245 /nfs/dbraw/zinc/42/42/45/554424245.db2.gz NIZVWNYRMIKCSZ-SECBINFHSA-N -1 1 364.383 2.425 20 5 FEBDMM COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000512472695 561906601 /nfs/dbraw/zinc/90/66/01/561906601.db2.gz XUESDGFDQSVWIM-QMMMGPOBSA-N -1 1 365.317 2.343 20 5 FEBDMM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000515817653 562022679 /nfs/dbraw/zinc/02/26/79/562022679.db2.gz DLLHXMRKNVMXNN-UHFFFAOYSA-N -1 1 360.370 2.422 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](CO)c3ccccc32)s1 ZINC000370408364 556863585 /nfs/dbraw/zinc/86/35/85/556863585.db2.gz VQMDBKFHGVTRPZ-JOYOIKCWSA-N -1 1 354.409 2.156 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000391840885 558615063 /nfs/dbraw/zinc/61/50/63/558615063.db2.gz XQQYBGRTWBZCAZ-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000524678685 562232228 /nfs/dbraw/zinc/23/22/28/562232228.db2.gz XSFWGPBKGNBNME-LBPRGKRZSA-N -1 1 371.802 2.309 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Sc1ccccc1 ZINC000525188170 562242409 /nfs/dbraw/zinc/24/24/09/562242409.db2.gz XMNUVWQDJYDCGU-NSHDSACASA-N -1 1 353.425 2.449 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000525755407 562254046 /nfs/dbraw/zinc/25/40/46/562254046.db2.gz VGAWKDQWQCBXIF-GFCCVEGCSA-N -1 1 373.394 2.215 20 5 FEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000416564878 559322210 /nfs/dbraw/zinc/32/22/10/559322210.db2.gz SDUVWAHSWQFRKD-NEPJUHHUSA-N -1 1 360.819 2.484 20 5 FEBDMM COC(=O)c1cccc2nc(NCc3cc(OC)c([O-])c([N+](=O)[O-])c3)[nH]c21 ZINC000428337635 559773636 /nfs/dbraw/zinc/77/36/36/559773636.db2.gz NICLHAOETSJACT-UHFFFAOYSA-N -1 1 372.337 2.006 20 5 FEBDMM COc1cccc(C(=O)[N-]c2sccc2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000435857187 559931300 /nfs/dbraw/zinc/93/13/00/559931300.db2.gz RMFWEZFZUUJHDC-UHFFFAOYSA-N -1 1 356.381 2.321 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]c21 ZINC000436885183 559955270 /nfs/dbraw/zinc/95/52/70/559955270.db2.gz JBGBOQJPOFMBGK-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000442321320 560049129 /nfs/dbraw/zinc/04/91/29/560049129.db2.gz GXRSZDWOQNIAFR-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM NC(=O)[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1cccc(Br)c1 ZINC000443507376 560085848 /nfs/dbraw/zinc/08/58/48/560085848.db2.gz GLDAVYVVAXQNTD-SECBINFHSA-N -1 1 357.189 2.452 20 5 FEBDMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861264 560123020 /nfs/dbraw/zinc/12/30/20/560123020.db2.gz SLAUFBOAKVEDTG-UHFFFAOYSA-N -1 1 365.729 2.050 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000466514603 560888715 /nfs/dbraw/zinc/88/87/15/560888715.db2.gz LSUPMQVCKJZYQH-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000470183072 560976296 /nfs/dbraw/zinc/97/62/96/560976296.db2.gz PFSJFBFMWBFFPY-FMIVXFBMSA-N -1 1 360.443 2.254 20 5 FEBDMM CC(C)(CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000472929353 561038114 /nfs/dbraw/zinc/03/81/14/561038114.db2.gz PCJHYTPBPNQNMR-UHFFFAOYSA-N -1 1 355.185 2.384 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000530461835 562412144 /nfs/dbraw/zinc/41/21/44/562412144.db2.gz YPTBKCDBPSFFEM-UHFFFAOYSA-N -1 1 373.337 2.112 20 5 FEBDMM CCCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000530481263 562413007 /nfs/dbraw/zinc/41/30/07/562413007.db2.gz HQNBOSJNGMZCND-NSHDSACASA-N -1 1 373.431 2.169 20 5 FEBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000530917257 562428559 /nfs/dbraw/zinc/42/85/59/562428559.db2.gz OIDLDGZTOWFAHP-KBPBESRZSA-N -1 1 369.443 2.396 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000534942330 562545774 /nfs/dbraw/zinc/54/57/74/562545774.db2.gz ZVUIIXNCFNURIN-UHFFFAOYSA-N -1 1 370.408 2.108 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822270903 607255262 /nfs/dbraw/zinc/25/52/62/607255262.db2.gz CBINDVWSNVEYPY-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1[N+](=O)[O-] ZINC000548525915 602307794 /nfs/dbraw/zinc/30/77/94/602307794.db2.gz SJFUVTKFDCWYNS-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359169 602546781 /nfs/dbraw/zinc/54/67/81/602546781.db2.gz IYKYVGRIXAJBSL-AWEZNQCLSA-N -1 1 365.386 2.426 20 5 FEBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819510 674512299 /nfs/dbraw/zinc/51/22/99/674512299.db2.gz VYWGBONZKGLLPV-LBPRGKRZSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCOC1 ZINC000809829739 674514048 /nfs/dbraw/zinc/51/40/48/674514048.db2.gz LRBNKGAGKNQOJF-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCCC2)c(Cl)cc1Cl ZINC000809818155 674512023 /nfs/dbraw/zinc/51/20/23/674512023.db2.gz BQPMRXMRJZPGOF-UHFFFAOYSA-N -1 1 369.226 2.485 20 5 FEBDMM O=C([O-])N[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000740532339 603031985 /nfs/dbraw/zinc/03/19/85/603031985.db2.gz CDCIGOAXXZKOHS-AWEZNQCLSA-N -1 1 369.337 2.210 20 5 FEBDMM O=C([O-])N1CCc2c1cccc2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000832080164 604015880 /nfs/dbraw/zinc/01/58/80/604015880.db2.gz SHJCXKNJHILNBG-UHFFFAOYSA-N -1 1 363.351 2.436 20 5 FEBDMM COc1ccc(OCCN2CCC(CN(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829500681 604048478 /nfs/dbraw/zinc/04/84/78/604048478.db2.gz NXJMEGNVQPBPJY-UHFFFAOYSA-N -1 1 367.402 2.304 20 5 FEBDMM O=C([O-])c1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000833781716 604534242 /nfs/dbraw/zinc/53/42/42/604534242.db2.gz HPJWGXOBRUWWIL-INIZCTEOSA-N -1 1 372.377 2.091 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000833508528 604834546 /nfs/dbraw/zinc/83/45/46/604834546.db2.gz JRFMPGJSCFRGPW-UHFFFAOYSA-N -1 1 358.354 2.338 20 5 FEBDMM CN1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000833697002 604861033 /nfs/dbraw/zinc/86/10/33/604861033.db2.gz ANZPAOAHGZMAFC-SJORKVTESA-N -1 1 369.377 2.468 20 5 FEBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000834177447 605326931 /nfs/dbraw/zinc/32/69/31/605326931.db2.gz BNAQSIFHWBJTIQ-BPLDGKMQSA-N -1 1 359.386 2.270 20 5 FEBDMM CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000826887621 605377298 /nfs/dbraw/zinc/37/72/98/605377298.db2.gz WGRXFWDNDFCFIJ-JTQLQIEISA-N -1 1 353.379 2.046 20 5 FEBDMM O=C([O-])N(CC1CC1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834063007 605819018 /nfs/dbraw/zinc/81/90/18/605819018.db2.gz QVUHPZRZWYRQNK-KRWDZBQOSA-N -1 1 363.414 2.483 20 5 FEBDMM CCC(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820838335 606697802 /nfs/dbraw/zinc/69/78/02/606697802.db2.gz STUBTIUJEUEGFK-UHFFFAOYSA-N -1 1 354.330 2.262 20 5 FEBDMM CCC(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820838335 606697803 /nfs/dbraw/zinc/69/78/03/606697803.db2.gz STUBTIUJEUEGFK-UHFFFAOYSA-N -1 1 354.330 2.262 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000823621014 606698649 /nfs/dbraw/zinc/69/86/49/606698649.db2.gz VOLLRXIGWYRLHU-LBPRGKRZSA-N -1 1 366.385 2.108 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000823621014 606698652 /nfs/dbraw/zinc/69/86/52/606698652.db2.gz VOLLRXIGWYRLHU-LBPRGKRZSA-N -1 1 366.385 2.108 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1c[nH]c2ccc(F)cc12 ZINC000823624904 606711556 /nfs/dbraw/zinc/71/15/56/606711556.db2.gz KADKDKOSPCOPQB-UHFFFAOYSA-N -1 1 368.332 2.445 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1c[nH]c2ccc(F)cc12 ZINC000823624904 606711557 /nfs/dbraw/zinc/71/15/57/606711557.db2.gz KADKDKOSPCOPQB-UHFFFAOYSA-N -1 1 368.332 2.445 20 5 FEBDMM COc1cccc(O[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821872431 606714199 /nfs/dbraw/zinc/71/41/99/606714199.db2.gz MMCJKELEOBSUHA-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM COc1cccc(O[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821872431 606714201 /nfs/dbraw/zinc/71/42/01/606714201.db2.gz MMCJKELEOBSUHA-JTQLQIEISA-N -1 1 371.357 2.058 20 5 FEBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232300 606719270 /nfs/dbraw/zinc/71/92/70/606719270.db2.gz FQDFHNKUXYFDSL-GXFFZTMASA-N -1 1 355.358 2.094 20 5 FEBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232300 606719272 /nfs/dbraw/zinc/71/92/72/606719272.db2.gz FQDFHNKUXYFDSL-GXFFZTMASA-N -1 1 355.358 2.094 20 5 FEBDMM CN(Cc1nc2ccccc2s1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821617812 607164153 /nfs/dbraw/zinc/16/41/53/607164153.db2.gz CMYSTWTVMUJICJ-UHFFFAOYSA-N -1 1 368.382 2.416 20 5 FEBDMM CN(Cc1nc2ccccc2s1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821617812 607164154 /nfs/dbraw/zinc/16/41/54/607164154.db2.gz CMYSTWTVMUJICJ-UHFFFAOYSA-N -1 1 368.382 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCCC2)nc1 ZINC000823625485 607166557 /nfs/dbraw/zinc/16/65/57/607166557.db2.gz WMBKBQGWIXPICE-UHFFFAOYSA-N -1 1 367.373 2.299 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCCC2)nc1 ZINC000823625485 607166558 /nfs/dbraw/zinc/16/65/58/607166558.db2.gz WMBKBQGWIXPICE-UHFFFAOYSA-N -1 1 367.373 2.299 20 5 FEBDMM CCOCc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821383281 607167087 /nfs/dbraw/zinc/16/70/87/607167087.db2.gz ASCJFTXYGPYDOV-UHFFFAOYSA-N -1 1 355.358 2.319 20 5 FEBDMM CCOCc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821383281 607167088 /nfs/dbraw/zinc/16/70/88/607167088.db2.gz ASCJFTXYGPYDOV-UHFFFAOYSA-N -1 1 355.358 2.319 20 5 FEBDMM Cc1csc([C@H]2CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CCO2)n1 ZINC000826321071 607841560 /nfs/dbraw/zinc/84/15/60/607841560.db2.gz PCBBQCIMNTXFPQ-CYBMUJFWSA-N -1 1 373.398 2.118 20 5 FEBDMM Cc1csc([C@H]2CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CCO2)n1 ZINC000826321071 607841561 /nfs/dbraw/zinc/84/15/61/607841561.db2.gz PCBBQCIMNTXFPQ-CYBMUJFWSA-N -1 1 373.398 2.118 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824670146 607902892 /nfs/dbraw/zinc/90/28/92/607902892.db2.gz LASVTLNNQZIJIB-ZJJDNZPOSA-N -1 1 373.398 2.080 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824670146 607902893 /nfs/dbraw/zinc/90/28/93/607902893.db2.gz LASVTLNNQZIJIB-ZJJDNZPOSA-N -1 1 373.398 2.080 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826422598 607997617 /nfs/dbraw/zinc/99/76/17/607997617.db2.gz FNLAKOYORPVNBW-UHFFFAOYSA-N -1 1 374.744 2.315 20 5 FEBDMM Cc1nccnc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815078132 674912909 /nfs/dbraw/zinc/91/29/09/674912909.db2.gz OZKCTCLNJITYEL-UHFFFAOYSA-N -1 1 374.781 2.007 20 5 FEBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815093856 674916229 /nfs/dbraw/zinc/91/62/29/674916229.db2.gz AGGYCLCIONNLLE-OQPBUACISA-N -1 1 366.798 2.217 20 5 FEBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000108404508 670829098 /nfs/dbraw/zinc/82/90/98/670829098.db2.gz PDTRPGBWSWQKFF-UHFFFAOYSA-N -1 1 359.404 2.328 20 5 FEBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000574334584 671227834 /nfs/dbraw/zinc/22/78/34/671227834.db2.gz VIWVKPBDYFJQGM-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM Cc1ccc(OCCCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610261120 675961887 /nfs/dbraw/zinc/96/18/87/675961887.db2.gz QCHYCOUPKLJANV-UHFFFAOYSA-N -1 1 365.411 2.436 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000610262078 675962116 /nfs/dbraw/zinc/96/21/16/675962116.db2.gz CYEGNXDLTQOLKG-UHFFFAOYSA-N -1 1 365.411 2.265 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000125412675 672011002 /nfs/dbraw/zinc/01/10/02/672011002.db2.gz OEZZGMPNYYIBAX-GFCCVEGCSA-N -1 1 370.814 2.303 20 5 FEBDMM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000610339846 675967321 /nfs/dbraw/zinc/96/73/21/675967321.db2.gz WNZVCRNRUPCPAA-UHFFFAOYSA-N -1 1 367.720 2.461 20 5 FEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000132325173 672096802 /nfs/dbraw/zinc/09/68/02/672096802.db2.gz CTORRGUVJAOJRZ-UHFFFAOYSA-N -1 1 371.321 2.081 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc([N+](=O)[O-])c1F ZINC000154271456 672213628 /nfs/dbraw/zinc/21/36/28/672213628.db2.gz GHLWZUSIYYBBTQ-UHFFFAOYSA-N -1 1 367.314 2.278 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c([N+](=O)[O-])n1 ZINC000611105158 676017357 /nfs/dbraw/zinc/01/73/57/676017357.db2.gz WRXLXBZOMBVHLP-GFCCVEGCSA-N -1 1 366.399 2.003 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(CC)CC ZINC000611106564 676017852 /nfs/dbraw/zinc/01/78/52/676017852.db2.gz WXXDDBHINGRVBP-OLZOCXBDSA-N -1 1 374.463 2.073 20 5 FEBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])n1 ZINC000588100769 672450322 /nfs/dbraw/zinc/45/03/22/672450322.db2.gz MAZNBIRQSJGMPY-UHFFFAOYSA-N -1 1 368.733 2.209 20 5 FEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc(C(=O)OC)c2O)n1 ZINC000588100769 672450323 /nfs/dbraw/zinc/45/03/23/672450323.db2.gz MAZNBIRQSJGMPY-UHFFFAOYSA-N -1 1 368.733 2.209 20 5 FEBDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592082366 672750645 /nfs/dbraw/zinc/75/06/45/672750645.db2.gz HIWWHDZBYHJGKM-VHSXEESVSA-N -1 1 350.824 2.324 20 5 FEBDMM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752002 673129481 /nfs/dbraw/zinc/12/94/81/673129481.db2.gz FVBOGJJSSTWCKB-CYBMUJFWSA-N -1 1 363.395 2.354 20 5 FEBDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000728082237 673192730 /nfs/dbraw/zinc/19/27/30/673192730.db2.gz UDAGOAVEOZHTPN-UHFFFAOYSA-N -1 1 364.745 2.060 20 5 FEBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000536080011 673360267 /nfs/dbraw/zinc/36/02/67/673360267.db2.gz RHEOBUGJMCDLFT-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538284854 673431446 /nfs/dbraw/zinc/43/14/46/673431446.db2.gz IXCNKQZITXVGNR-IINYFYTJSA-N -1 1 369.374 2.183 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H](c3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC000599373994 673665533 /nfs/dbraw/zinc/66/55/33/673665533.db2.gz FRGXVISXBMKYHU-ZIAGYGMSSA-N -1 1 364.427 2.282 20 5 FEBDMM CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000760616688 680695083 /nfs/dbraw/zinc/69/50/83/680695083.db2.gz MVCRHKPNRYKYPX-JTQLQIEISA-N -1 1 364.807 2.258 20 5 FEBDMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657602 679985218 /nfs/dbraw/zinc/98/52/18/679985218.db2.gz LAOCTBOFIWHCKV-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657603 679985447 /nfs/dbraw/zinc/98/54/47/679985447.db2.gz LAOCTBOFIWHCKV-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1Cl ZINC000749999078 680094087 /nfs/dbraw/zinc/09/40/87/680094087.db2.gz ZXWCWKYOGBPVOG-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000832233266 680113238 /nfs/dbraw/zinc/11/32/38/680113238.db2.gz XJWYEWQCVAIEEA-SWLSCSKDSA-N -1 1 374.846 2.324 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000832318134 680123102 /nfs/dbraw/zinc/12/31/02/680123102.db2.gz UPXVRXDLNJFLLJ-GFCCVEGCSA-N -1 1 364.782 2.235 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1Cc2cccc(O)c2C1 ZINC000758173282 680559530 /nfs/dbraw/zinc/55/95/30/680559530.db2.gz FGQZKDCIXNBQSF-LLVKDONJSA-N -1 1 368.798 2.400 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769869522 680997850 /nfs/dbraw/zinc/99/78/50/680997850.db2.gz PXPBVNKPKSMWOJ-UHFFFAOYSA-N -1 1 352.372 2.021 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000774935897 681252878 /nfs/dbraw/zinc/25/28/78/681252878.db2.gz VHJROBRPGIOLMC-UHFFFAOYSA-N -1 1 359.260 2.302 20 5 FEBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000775737546 681330498 /nfs/dbraw/zinc/33/04/98/681330498.db2.gz PHQKFARCRYPFTC-ZDUSSCGKSA-N -1 1 362.835 2.324 20 5 FEBDMM O=C([O-])c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000776561652 681405489 /nfs/dbraw/zinc/40/54/89/681405489.db2.gz OUYMEFPTNQUTFB-UHFFFAOYSA-N -1 1 367.295 2.002 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000780067018 681788431 /nfs/dbraw/zinc/78/84/31/681788431.db2.gz DYIFLTWZCANHPT-UHFFFAOYSA-N -1 1 362.363 2.104 20 5 FEBDMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856985 682164795 /nfs/dbraw/zinc/16/47/95/682164795.db2.gz JLYUYJBKPXBDRP-SMDDNHRTSA-N -1 1 368.386 2.177 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000859368320 683095311 /nfs/dbraw/zinc/09/53/11/683095311.db2.gz YCPDNDHXWDSCAY-PRHODGIISA-N -1 1 364.782 2.233 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000921319997 683421463 /nfs/dbraw/zinc/42/14/63/683421463.db2.gz ZJYQCSYCNBXQHO-CJNGLKHVSA-N -1 1 366.370 2.486 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCO)Cc1ccccc1 ZINC000799829866 683501591 /nfs/dbraw/zinc/50/15/91/683501591.db2.gz IUYFEQQLETXJTK-ZDUSSCGKSA-N -1 1 368.386 2.006 20 5 FEBDMM CN1Cc2ccccc2[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867794225 684388590 /nfs/dbraw/zinc/38/85/90/684388590.db2.gz FXMNEVQZEWUMTF-LBPRGKRZSA-N -1 1 353.425 2.121 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)CC1 ZINC000065309157 541233657 /nfs/dbraw/zinc/23/36/57/541233657.db2.gz GPQQVEBJAWBPJG-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066273832 541296458 /nfs/dbraw/zinc/29/64/58/541296458.db2.gz BQAWFOBKLBUWRX-UHFFFAOYSA-N -1 1 350.356 2.422 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)s1 ZINC000066327349 541302196 /nfs/dbraw/zinc/30/21/96/541302196.db2.gz RHBJYYZYTLJXBI-NSHDSACASA-N -1 1 371.440 2.365 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000067123942 541420594 /nfs/dbraw/zinc/42/05/94/541420594.db2.gz LNXFVSXSNJVPSP-UHFFFAOYSA-N -1 1 367.358 2.196 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000074049876 542029475 /nfs/dbraw/zinc/02/94/75/542029475.db2.gz FFLNGTAMBRGRCZ-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM Cc1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C ZINC000152193302 544624174 /nfs/dbraw/zinc/62/41/74/544624174.db2.gz RFXZJAZOLCKKTH-UHFFFAOYSA-N -1 1 359.404 2.328 20 5 FEBDMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185195761 327905249 /nfs/dbraw/zinc/90/52/49/327905249.db2.gz OJTJPAMOIOLEJT-MRVPVSSYSA-N -1 1 351.331 2.337 20 5 FEBDMM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000187748226 328043553 /nfs/dbraw/zinc/04/35/53/328043553.db2.gz HESXRZMHUBXRNB-SECBINFHSA-N -1 1 352.372 2.269 20 5 FEBDMM O=C(NCCc1ccccc1OC(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188435700 328086804 /nfs/dbraw/zinc/08/68/04/328086804.db2.gz XUPNMZSRSYFMDG-UHFFFAOYSA-N -1 1 353.281 2.269 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000189800361 328168792 /nfs/dbraw/zinc/16/87/92/328168792.db2.gz JHFDJUWPHDKVCQ-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191785435 328281596 /nfs/dbraw/zinc/28/15/96/328281596.db2.gz BXDFAKCMZDINGE-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193666286 328388765 /nfs/dbraw/zinc/38/87/65/328388765.db2.gz YQKMWDWKNHRAKA-UXMMLNGASA-N -1 1 363.395 2.266 20 5 FEBDMM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193826613 328397347 /nfs/dbraw/zinc/39/73/47/328397347.db2.gz IBHCLOAEYQGDGJ-OCCSQVGLSA-N -1 1 365.292 2.234 20 5 FEBDMM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194008587 328406416 /nfs/dbraw/zinc/40/64/16/328406416.db2.gz KIVVSGBPQLRMAY-AWEZNQCLSA-N -1 1 356.382 2.436 20 5 FEBDMM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000098052239 325465594 /nfs/dbraw/zinc/46/55/94/325465594.db2.gz XEYFKLSKBPEGKM-UHFFFAOYSA-N -1 1 357.775 2.231 20 5 FEBDMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000116902980 326041675 /nfs/dbraw/zinc/04/16/75/326041675.db2.gz XVTGMQHOZQBLHU-OAQYLSRUSA-N -1 1 368.864 2.074 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119839961 326204045 /nfs/dbraw/zinc/20/40/45/326204045.db2.gz SUSFDVZUZYYIJA-UHFFFAOYSA-N -1 1 370.409 2.483 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000159984959 545997174 /nfs/dbraw/zinc/99/71/74/545997174.db2.gz JLUZUUNNCWNQID-SNVBAGLBSA-N -1 1 357.413 2.490 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175678331 546332586 /nfs/dbraw/zinc/33/25/86/546332586.db2.gz GNZOXDXVIVRAPO-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000178882144 546865837 /nfs/dbraw/zinc/86/58/37/546865837.db2.gz FMWFNQUZDSPHJL-CYBMUJFWSA-N -1 1 368.386 2.178 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1noc(Cc2ccccc2)n1 ZINC000179580676 546980381 /nfs/dbraw/zinc/98/03/81/546980381.db2.gz SJBYMOAFQSYWGR-JTQLQIEISA-N -1 1 369.337 2.160 20 5 FEBDMM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485360697 561317453 /nfs/dbraw/zinc/31/74/53/561317453.db2.gz IXQFFVVETDNKNC-HUUCEWRRSA-N -1 1 361.329 2.485 20 5 FEBDMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000488462457 561390322 /nfs/dbraw/zinc/39/03/22/561390322.db2.gz PEFIBRJMPWMAKY-QMMMGPOBSA-N -1 1 367.387 2.165 20 5 FEBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000282600082 551250528 /nfs/dbraw/zinc/25/05/28/551250528.db2.gz IMDBSXFIXGNNNX-JTQLQIEISA-N -1 1 370.362 2.001 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000499180785 561545252 /nfs/dbraw/zinc/54/52/52/561545252.db2.gz RYZHUVFPMORXNM-UHFFFAOYSA-N -1 1 366.399 2.497 20 5 FEBDMM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289073260 552261693 /nfs/dbraw/zinc/26/16/93/552261693.db2.gz HBJNBPHEFGMACJ-VIFPVBQESA-N -1 1 357.215 2.197 20 5 FEBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000289569569 552342283 /nfs/dbraw/zinc/34/22/83/552342283.db2.gz PLTOWLSJHHPUCC-CYBMUJFWSA-N -1 1 362.835 2.324 20 5 FEBDMM C[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301513649 553657083 /nfs/dbraw/zinc/65/70/83/553657083.db2.gz DQPHGBVTUJLACN-LLVKDONJSA-N -1 1 351.384 2.188 20 5 FEBDMM Cn1c(=O)oc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000302176124 553708738 /nfs/dbraw/zinc/70/87/38/553708738.db2.gz MWCOWOMJVZDWEI-UHFFFAOYSA-N -1 1 369.380 2.248 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000325534116 553776708 /nfs/dbraw/zinc/77/67/08/553776708.db2.gz ACFXRVFGOABUNY-UHFFFAOYSA-N -1 1 354.388 2.425 20 5 FEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000326552077 553781490 /nfs/dbraw/zinc/78/14/90/553781490.db2.gz OQADWVHMMNATRR-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=C(NCc1ccnc(OC2CCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000509445486 561800088 /nfs/dbraw/zinc/80/00/88/561800088.db2.gz BVLILTUDYZHFAG-UHFFFAOYSA-N -1 1 358.354 2.342 20 5 FEBDMM O=[N+]([O-])c1cccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000349863888 554747037 /nfs/dbraw/zinc/74/70/37/554747037.db2.gz NZZFTZDYJTWBSZ-UHFFFAOYSA-N -1 1 366.380 2.185 20 5 FEBDMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000364434457 555313766 /nfs/dbraw/zinc/31/37/66/555313766.db2.gz IQCRAFSIFUVVHS-HNNXBMFYSA-N -1 1 374.378 2.354 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373086721 557625685 /nfs/dbraw/zinc/62/56/85/557625685.db2.gz DVRAGAMMRVRPII-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CC1)OCc1ccccc12 ZINC000373094979 557627467 /nfs/dbraw/zinc/62/74/67/557627467.db2.gz MPPYYLALTGBSQY-UHFFFAOYSA-N -1 1 355.350 2.357 20 5 FEBDMM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520767839 562163220 /nfs/dbraw/zinc/16/32/20/562163220.db2.gz YSRDWNUVQXFURJ-LBPRGKRZSA-N -1 1 350.400 2.075 20 5 FEBDMM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392610513 558618179 /nfs/dbraw/zinc/61/81/79/558618179.db2.gz DLDYGGFXULMFBD-SECBINFHSA-N -1 1 362.379 2.292 20 5 FEBDMM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392610517 558618248 /nfs/dbraw/zinc/61/82/48/558618248.db2.gz DLDYGGFXULMFBD-VIFPVBQESA-N -1 1 362.379 2.292 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1O ZINC000392707878 558618541 /nfs/dbraw/zinc/61/85/41/558618541.db2.gz YCCGRRPOCIPODT-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525699920 562252598 /nfs/dbraw/zinc/25/25/98/562252598.db2.gz GYZXXSWWIOGDSW-UHFFFAOYSA-N -1 1 365.411 2.471 20 5 FEBDMM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317583 559696420 /nfs/dbraw/zinc/69/64/20/559696420.db2.gz GKWFCMBPLUDXIA-UONOGXRCSA-N -1 1 358.354 2.193 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000431590733 559841990 /nfs/dbraw/zinc/84/19/90/559841990.db2.gz VWKCKBUCXQVTSS-CQSZACIVSA-N -1 1 364.427 2.283 20 5 FEBDMM COC(=O)c1ccc([O-])c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000436501890 559943304 /nfs/dbraw/zinc/94/33/04/559943304.db2.gz BBQCOOLCNBTAHG-UHFFFAOYSA-N -1 1 359.338 2.162 20 5 FEBDMM Cc1nn(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000443568598 560087523 /nfs/dbraw/zinc/08/75/23/560087523.db2.gz RYNFEOVEBRKXLR-UHFFFAOYSA-N -1 1 360.248 2.493 20 5 FEBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444026772 560099460 /nfs/dbraw/zinc/09/94/60/560099460.db2.gz ZDOZEYMWMHGUGX-UHFFFAOYSA-N -1 1 374.404 2.394 20 5 FEBDMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007019 560126579 /nfs/dbraw/zinc/12/65/79/560126579.db2.gz IEJMMIOMEZIAAV-GFCCVEGCSA-N -1 1 373.365 2.147 20 5 FEBDMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000445219763 560130992 /nfs/dbraw/zinc/13/09/92/560130992.db2.gz YTMHLLGGLXCPMT-BMFZPTHFSA-N -1 1 373.365 2.050 20 5 FEBDMM COc1ccc(OC(F)F)c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000465479696 560865965 /nfs/dbraw/zinc/86/59/65/560865965.db2.gz YHUVGYDEEYGSRC-UHFFFAOYSA-N -1 1 369.280 2.235 20 5 FEBDMM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)oc1C ZINC000467394405 560909410 /nfs/dbraw/zinc/90/94/10/560909410.db2.gz DVWYIIONQXOGDC-UHFFFAOYSA-N -1 1 374.396 2.131 20 5 FEBDMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000530903702 562428186 /nfs/dbraw/zinc/42/81/86/562428186.db2.gz DXHUPZUUWDZENV-QWHCGFSZSA-N -1 1 357.432 2.252 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000530916142 562428577 /nfs/dbraw/zinc/42/85/77/562428577.db2.gz QNCVEZITEFOUTR-OLZOCXBDSA-N -1 1 357.432 2.252 20 5 FEBDMM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(F)cc1[O-] ZINC000531756381 562455666 /nfs/dbraw/zinc/45/56/66/562455666.db2.gz YSWYWCGYUXMHKU-UHFFFAOYSA-N -1 1 367.720 2.461 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000532853878 562490543 /nfs/dbraw/zinc/49/05/43/562490543.db2.gz PBFDLTWZIWDYDY-ZIAGYGMSSA-N -1 1 364.427 2.426 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000533175916 562500304 /nfs/dbraw/zinc/50/03/04/562500304.db2.gz AUCXAKNXWVZCGZ-UHFFFAOYSA-N -1 1 370.406 2.206 20 5 FEBDMM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000533544131 562512277 /nfs/dbraw/zinc/51/22/77/562512277.db2.gz BYIATRUCEFQHBF-UHFFFAOYSA-N -1 1 365.411 2.255 20 5 FEBDMM Cc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198860 599308979 /nfs/dbraw/zinc/30/89/79/599308979.db2.gz MJMCNYVMPQWDRW-YRNVUSSQSA-N -1 1 366.293 2.021 20 5 FEBDMM Cc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198860 599308983 /nfs/dbraw/zinc/30/89/83/599308983.db2.gz MJMCNYVMPQWDRW-YRNVUSSQSA-N -1 1 366.293 2.021 20 5 FEBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000824656146 607450976 /nfs/dbraw/zinc/45/09/76/607450976.db2.gz ICNBWNDEPWAAQD-JTQLQIEISA-N -1 1 353.342 2.214 20 5 FEBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000824656146 607450978 /nfs/dbraw/zinc/45/09/78/607450978.db2.gz ICNBWNDEPWAAQD-JTQLQIEISA-N -1 1 353.342 2.214 20 5 FEBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000827368339 601123998 /nfs/dbraw/zinc/12/39/98/601123998.db2.gz BPUZZSUBTWOUQN-SNVBAGLBSA-N -1 1 370.793 2.261 20 5 FEBDMM O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548260729 601992399 /nfs/dbraw/zinc/99/23/99/601992399.db2.gz PBXLBVNXMSGPMH-PWSUYJOCSA-N -1 1 374.390 2.436 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cnn(C)c1 ZINC000809820917 674512601 /nfs/dbraw/zinc/51/26/01/674512601.db2.gz FGEODUIEJWTAHS-ZETCQYMHSA-N -1 1 362.770 2.160 20 5 FEBDMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819986 674512699 /nfs/dbraw/zinc/51/26/99/674512699.db2.gz JNCCKALNKBSISP-GFCCVEGCSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)cc1Cl ZINC000809831591 674514331 /nfs/dbraw/zinc/51/43/31/674514331.db2.gz FVUSQEHNEQWIEC-MRVPVSSYSA-N -1 1 352.771 2.092 20 5 FEBDMM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832505 674514477 /nfs/dbraw/zinc/51/44/77/674514477.db2.gz QYVHEEDWDOYOGR-NKWVEPMBSA-N -1 1 357.215 2.339 20 5 FEBDMM O=C([O-])c1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000833781717 604533992 /nfs/dbraw/zinc/53/39/92/604533992.db2.gz HPJWGXOBRUWWIL-MRXNPFEDSA-N -1 1 372.377 2.091 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CCCC2)cc1Cl ZINC000810116107 674533185 /nfs/dbraw/zinc/53/31/85/674533185.db2.gz UAYFVLVBUGRTOD-LLVKDONJSA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)cc1Cl ZINC000810116108 674533305 /nfs/dbraw/zinc/53/33/05/674533305.db2.gz UAYFVLVBUGRTOD-NSHDSACASA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823436437 606652409 /nfs/dbraw/zinc/65/24/09/606652409.db2.gz VKRDFWBHKRCAMG-UHFFFAOYSA-N -1 1 366.293 2.273 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823436437 606652410 /nfs/dbraw/zinc/65/24/10/606652410.db2.gz VKRDFWBHKRCAMG-UHFFFAOYSA-N -1 1 366.293 2.273 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823066407 606653982 /nfs/dbraw/zinc/65/39/82/606653982.db2.gz YAGIDAUFGXFIHR-UHFFFAOYSA-N -1 1 372.366 2.005 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823066407 606653983 /nfs/dbraw/zinc/65/39/83/606653983.db2.gz YAGIDAUFGXFIHR-UHFFFAOYSA-N -1 1 372.366 2.005 20 5 FEBDMM C[C@H]1Cc2ccccc2N1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820813348 606702518 /nfs/dbraw/zinc/70/25/18/606702518.db2.gz DZTWQUJTYZZHSJ-NSHDSACASA-N -1 1 366.385 2.033 20 5 FEBDMM C[C@H]1Cc2ccccc2N1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820813348 606702520 /nfs/dbraw/zinc/70/25/20/606702520.db2.gz DZTWQUJTYZZHSJ-NSHDSACASA-N -1 1 366.385 2.033 20 5 FEBDMM C[C@@H]1Cc2ccccc2N1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820813347 606702701 /nfs/dbraw/zinc/70/27/01/606702701.db2.gz DZTWQUJTYZZHSJ-LLVKDONJSA-N -1 1 366.385 2.033 20 5 FEBDMM C[C@@H]1Cc2ccccc2N1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820813347 606702702 /nfs/dbraw/zinc/70/27/02/606702702.db2.gz DZTWQUJTYZZHSJ-LLVKDONJSA-N -1 1 366.385 2.033 20 5 FEBDMM Cc1csc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822410148 606705581 /nfs/dbraw/zinc/70/55/81/606705581.db2.gz XOIANAXKABMZSF-SNVBAGLBSA-N -1 1 372.414 2.319 20 5 FEBDMM Cc1csc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822410148 606705583 /nfs/dbraw/zinc/70/55/83/606705583.db2.gz XOIANAXKABMZSF-SNVBAGLBSA-N -1 1 372.414 2.319 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820280588 606712780 /nfs/dbraw/zinc/71/27/80/606712780.db2.gz JTGXLWSUTVWBGS-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820280588 606712781 /nfs/dbraw/zinc/71/27/81/606712781.db2.gz JTGXLWSUTVWBGS-VIFPVBQESA-N -1 1 359.321 2.188 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-n2cccn2)cc1 ZINC000823629778 606712860 /nfs/dbraw/zinc/71/28/60/606712860.db2.gz HCCZXVZHFVLQFT-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-n2cccn2)cc1 ZINC000823629778 606712862 /nfs/dbraw/zinc/71/28/62/606712862.db2.gz HCCZXVZHFVLQFT-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM Cc1cccc2oc(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc21 ZINC000822341298 606714391 /nfs/dbraw/zinc/71/43/91/606714391.db2.gz VPROZCALNBIISB-UHFFFAOYSA-N -1 1 366.341 2.274 20 5 FEBDMM Cc1cccc2oc(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc21 ZINC000822341298 606714394 /nfs/dbraw/zinc/71/43/94/606714394.db2.gz VPROZCALNBIISB-UHFFFAOYSA-N -1 1 366.341 2.274 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1nccs1 ZINC000815007217 674894699 /nfs/dbraw/zinc/89/46/99/674894699.db2.gz ODLXDOOFVZUUJR-UHFFFAOYSA-N -1 1 365.795 2.365 20 5 FEBDMM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015020 674896313 /nfs/dbraw/zinc/89/63/13/674896313.db2.gz FGTBRVXYBGKXJB-UHFFFAOYSA-N -1 1 354.787 2.217 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000815024800 674900849 /nfs/dbraw/zinc/90/08/49/674900849.db2.gz NGGSNORFPXSIOX-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM CC(Nc1ccc([N+](=O)[O-])cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009770772 669984835 /nfs/dbraw/zinc/98/48/35/669984835.db2.gz NGRGVFICHDQDCW-RAXLEYEMSA-N -1 1 362.411 2.180 20 5 FEBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571573161 670895252 /nfs/dbraw/zinc/89/52/52/670895252.db2.gz WENQYXODSREINH-GXSJLCMTSA-N -1 1 350.824 2.324 20 5 FEBDMM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609128473 675911169 /nfs/dbraw/zinc/91/11/69/675911169.db2.gz JTJZCLIUBQLERT-UHFFFAOYSA-N -1 1 374.172 2.259 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000609494752 675923573 /nfs/dbraw/zinc/92/35/73/675923573.db2.gz MZZQMGNJPPTLNZ-HSZRJFAPSA-N -1 1 370.408 2.142 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127794391 672041539 /nfs/dbraw/zinc/04/15/39/672041539.db2.gz NUDGEEICIIODGL-YPMHNXCESA-N -1 1 360.407 2.344 20 5 FEBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000133381068 672110001 /nfs/dbraw/zinc/11/00/01/672110001.db2.gz BHXBUQQDZVZDNK-UHFFFAOYSA-N -1 1 351.340 2.487 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000584502035 672193885 /nfs/dbraw/zinc/19/38/85/672193885.db2.gz HEDSJNFJVYSFSN-UHFFFAOYSA-N -1 1 365.323 2.256 20 5 FEBDMM COc1cc(F)cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000179394073 672401662 /nfs/dbraw/zinc/40/16/62/672401662.db2.gz DOOCBSXLXWXMBL-UHFFFAOYSA-N -1 1 358.322 2.360 20 5 FEBDMM COCc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194346477 672757113 /nfs/dbraw/zinc/75/71/13/672757113.db2.gz FUMABLOAWVMIMM-UHFFFAOYSA-N -1 1 354.359 2.359 20 5 FEBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194352402 672757508 /nfs/dbraw/zinc/75/75/08/672757508.db2.gz MCGUJTPXEVCNAH-UHFFFAOYSA-N -1 1 355.303 2.121 20 5 FEBDMM O=C(NCC[C@@H]1CSc2ccccc2O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592825843 672843416 /nfs/dbraw/zinc/84/34/16/672843416.db2.gz HUNGGZZBTDKUJQ-LLVKDONJSA-N -1 1 361.379 2.369 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000725838568 673094099 /nfs/dbraw/zinc/09/40/99/673094099.db2.gz SCCQMFCVGLCQMU-UHFFFAOYSA-N -1 1 352.343 2.147 20 5 FEBDMM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743012 673127003 /nfs/dbraw/zinc/12/70/03/673127003.db2.gz DMDZCGYWBVFDAV-NSHDSACASA-N -1 1 351.384 2.346 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccco1 ZINC000598604649 673588988 /nfs/dbraw/zinc/58/89/88/673588988.db2.gz OTTLLNHQHIUDRL-LBPRGKRZSA-N -1 1 354.384 2.471 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(C)c1[N+](=O)[O-] ZINC000598735688 673604788 /nfs/dbraw/zinc/60/47/88/673604788.db2.gz ZRCIWQMDBJCQHY-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)ccc1[N+](=O)[O-] ZINC000544838634 673735640 /nfs/dbraw/zinc/73/56/40/673735640.db2.gz CERINNLZQGYCPA-UHFFFAOYSA-N -1 1 354.306 2.367 20 5 FEBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3C(C)(C)C3(C)C)n[nH]2)n1 ZINC000600669172 673790126 /nfs/dbraw/zinc/79/01/26/673790126.db2.gz VLSHFEHHDGVUQQ-UHFFFAOYSA-N -1 1 368.419 2.002 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000745998737 673860399 /nfs/dbraw/zinc/86/03/99/673860399.db2.gz SYLSSHMYMQGCNP-UHFFFAOYSA-N -1 1 371.321 2.081 20 5 FEBDMM COCCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000548141596 673927918 /nfs/dbraw/zinc/92/79/18/673927918.db2.gz CSNIILAUSYPEAB-UHFFFAOYSA-N -1 1 357.432 2.255 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000567294089 675281909 /nfs/dbraw/zinc/28/19/09/675281909.db2.gz UYZBLSSRBNGYSM-KCJUWKMLSA-N -1 1 355.322 2.102 20 5 FEBDMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828071068 675796162 /nfs/dbraw/zinc/79/61/62/675796162.db2.gz LTAKXSATZBMGFV-IUCAKERBSA-N -1 1 368.814 2.463 20 5 FEBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765502818 680844337 /nfs/dbraw/zinc/84/43/37/680844337.db2.gz KXSWNDVHQGAQBF-UHFFFAOYSA-N -1 1 366.399 2.266 20 5 FEBDMM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831728277 680033167 /nfs/dbraw/zinc/03/31/67/680033167.db2.gz DVZLTILVMZRCMG-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N-]C(=O)c1ccccc1 ZINC000750536687 680121409 /nfs/dbraw/zinc/12/14/09/680121409.db2.gz ULRRMLCYMXEUGK-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841553652 680896576 /nfs/dbraw/zinc/89/65/76/680896576.db2.gz FKCSURDHKOVMLW-MRVPVSSYSA-N -1 1 354.787 2.338 20 5 FEBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841574058 680901088 /nfs/dbraw/zinc/90/10/88/680901088.db2.gz SCATXPINQKSTFK-JCJUMFQOSA-N -1 1 355.199 2.093 20 5 FEBDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768803106 680958988 /nfs/dbraw/zinc/95/89/88/680958988.db2.gz GQUUAFMTVQPLBM-UHFFFAOYSA-N -1 1 355.397 2.093 20 5 FEBDMM COCCOc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768815589 680959474 /nfs/dbraw/zinc/95/94/74/680959474.db2.gz VQAFHJUWHPOBGQ-UHFFFAOYSA-N -1 1 372.424 2.160 20 5 FEBDMM CSc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccn1 ZINC000771799940 681070729 /nfs/dbraw/zinc/07/07/29/681070729.db2.gz YKZKERFZUNPAHA-UHFFFAOYSA-N -1 1 357.388 2.329 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000774275172 681176534 /nfs/dbraw/zinc/17/65/34/681176534.db2.gz VGIRKWRDGKUNNL-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[n-]1 ZINC000849416772 681723555 /nfs/dbraw/zinc/72/35/55/681723555.db2.gz DNIWWLGTQVTACB-UHFFFAOYSA-N -1 1 356.316 2.117 20 5 FEBDMM CC(C)c1nc(S(=O)(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c[n-]1 ZINC000849416772 681723557 /nfs/dbraw/zinc/72/35/57/681723557.db2.gz DNIWWLGTQVTACB-UHFFFAOYSA-N -1 1 356.316 2.117 20 5 FEBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000849441729 681736856 /nfs/dbraw/zinc/73/68/56/681736856.db2.gz IFOQHKLMSAJARC-LGZQZNNBSA-N -1 1 374.390 2.134 20 5 FEBDMM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000792782626 682840485 /nfs/dbraw/zinc/84/04/85/682840485.db2.gz IAIIYWSITZENQY-SFYZADRCSA-N -1 1 359.433 2.327 20 5 FEBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000792782626 682840495 /nfs/dbraw/zinc/84/04/95/682840495.db2.gz IAIIYWSITZENQY-SFYZADRCSA-N -1 1 359.433 2.327 20 5 FEBDMM CCCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C(C)C ZINC000857051163 682849921 /nfs/dbraw/zinc/84/99/21/682849921.db2.gz JZROJCJLMPLQIS-ZIAGYGMSSA-N -1 1 370.427 2.069 20 5 FEBDMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859299582 683077087 /nfs/dbraw/zinc/07/70/87/683077087.db2.gz YDZJFLLKOTVZNA-VIFPVBQESA-N -1 1 368.814 2.463 20 5 FEBDMM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000859317381 683081972 /nfs/dbraw/zinc/08/19/72/683081972.db2.gz FVSUVRAJWJUWKP-NSHDSACASA-N -1 1 374.802 2.178 20 5 FEBDMM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796008870 683117447 /nfs/dbraw/zinc/11/74/47/683117447.db2.gz LDRFPPZKAUGRAF-AWEZNQCLSA-N -1 1 368.386 2.308 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccccn2)cc1Cl ZINC000798223965 683323328 /nfs/dbraw/zinc/32/33/28/683323328.db2.gz BLJCXEBAMHIINA-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000012647542 539569284 /nfs/dbraw/zinc/56/92/84/539569284.db2.gz JJVLLNBXIHLBBR-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM COc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1[N+](=O)[O-] ZINC000067079907 541414998 /nfs/dbraw/zinc/41/49/98/541414998.db2.gz ZFRASRAYBYZRKM-UHFFFAOYSA-N -1 1 363.399 2.165 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092258 541763542 /nfs/dbraw/zinc/76/35/42/541763542.db2.gz PNJNZBRKHPCCCF-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000032631968 208033507 /nfs/dbraw/zinc/03/35/07/208033507.db2.gz LDAXVSFMYTVPCA-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000032632032 208034098 /nfs/dbraw/zinc/03/40/98/208034098.db2.gz QWFROEPVFBGGBO-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124696997 543837137 /nfs/dbraw/zinc/83/71/37/543837137.db2.gz KNBSLSAUKWCFFQ-AAEUAGOBSA-N -1 1 370.452 2.489 20 5 FEBDMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124697585 543837367 /nfs/dbraw/zinc/83/73/67/543837367.db2.gz KNBSLSAUKWCFFQ-DGCLKSJQSA-N -1 1 370.452 2.489 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130306730 544146071 /nfs/dbraw/zinc/14/60/71/544146071.db2.gz FQZLMFZNUFSCKQ-UHFFFAOYSA-N -1 1 370.409 2.483 20 5 FEBDMM Cc1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)ccc1F ZINC000135266059 544339976 /nfs/dbraw/zinc/33/99/76/544339976.db2.gz PXAZJXQWERZLQM-HNNXBMFYSA-N -1 1 361.329 2.357 20 5 FEBDMM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCOCC1 ZINC000553596544 674274178 /nfs/dbraw/zinc/27/41/78/674274178.db2.gz UZMITAKWGZMTBR-AWEZNQCLSA-N -1 1 351.403 2.452 20 5 FEBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804176441 674274880 /nfs/dbraw/zinc/27/48/80/674274880.db2.gz OGVZLKVPJGHXSL-UHFFFAOYSA-N -1 1 357.395 2.241 20 5 FEBDMM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187215544 328009481 /nfs/dbraw/zinc/00/94/81/328009481.db2.gz BGVRKFRJZAZQAD-LBPRGKRZSA-N -1 1 360.345 2.233 20 5 FEBDMM CCn1c(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000188395113 328084610 /nfs/dbraw/zinc/08/46/10/328084610.db2.gz HKRSIZSPMWMNNJ-UHFFFAOYSA-N -1 1 355.354 2.038 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000110095537 325683314 /nfs/dbraw/zinc/68/33/14/325683314.db2.gz SZMKMZGIEVCVRB-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000119433963 326162178 /nfs/dbraw/zinc/16/21/78/326162178.db2.gz BVQAFNXKXQWYEQ-GFCCVEGCSA-N -1 1 357.370 2.316 20 5 FEBDMM Cc1cc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)ccc1F ZINC000135266078 326638512 /nfs/dbraw/zinc/63/85/12/326638512.db2.gz PXAZJXQWERZLQM-OAHLLOKOSA-N -1 1 361.329 2.357 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164261671 327067227 /nfs/dbraw/zinc/06/72/27/327067227.db2.gz PLHBFEFLKJQXIC-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000173543884 327265410 /nfs/dbraw/zinc/26/54/10/327265410.db2.gz XAFLOZATASWXBC-STQMWFEESA-N -1 1 368.390 2.393 20 5 FEBDMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175646084 327404350 /nfs/dbraw/zinc/40/43/50/327404350.db2.gz WGBRCMPGIOPKJX-FRGLDACASA-N -1 1 366.486 2.014 20 5 FEBDMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000267644604 329346387 /nfs/dbraw/zinc/34/63/87/329346387.db2.gz RWSLFFYSPQQFJQ-SECBINFHSA-N -1 1 357.413 2.237 20 5 FEBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1-n1nnnc1C1CC1 ZINC000267992290 329374926 /nfs/dbraw/zinc/37/49/26/329374926.db2.gz RCAKOEBKGJSGOR-UHFFFAOYSA-N -1 1 369.341 2.037 20 5 FEBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159835511 545985596 /nfs/dbraw/zinc/98/55/96/545985596.db2.gz NZFHNTGPSQQSDJ-MRVPVSSYSA-N -1 1 357.363 2.248 20 5 FEBDMM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479230998 561185389 /nfs/dbraw/zinc/18/53/89/561185389.db2.gz YGJLAFZEYPCEFH-MRVPVSSYSA-N -1 1 350.418 2.055 20 5 FEBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182484354 547500954 /nfs/dbraw/zinc/50/09/54/547500954.db2.gz VILGCTYWACDDGP-SECBINFHSA-N -1 1 350.824 2.324 20 5 FEBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000484570536 561300307 /nfs/dbraw/zinc/30/03/07/561300307.db2.gz DRMDROUVBJLEKQ-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000484570536 561300308 /nfs/dbraw/zinc/30/03/08/561300308.db2.gz DRMDROUVBJLEKQ-MRVPVSSYSA-N -1 1 350.356 2.224 20 5 FEBDMM Cc1ccc([C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000486401806 561346355 /nfs/dbraw/zinc/34/63/55/561346355.db2.gz LVUOEWJKKCNXLP-CQSZACIVSA-N -1 1 368.349 2.378 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000490426838 561432808 /nfs/dbraw/zinc/43/28/08/561432808.db2.gz RABKWPGYURKNMW-SNVBAGLBSA-N -1 1 371.415 2.353 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1[N+](=O)[O-] ZINC000491597286 561446862 /nfs/dbraw/zinc/44/68/62/561446862.db2.gz SYAJBDDGNTYUAS-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c([N+](=O)[O-])n1 ZINC000492175471 561449951 /nfs/dbraw/zinc/44/99/51/561449951.db2.gz JQIIAKKSRSEMCF-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM C[C@H](CO[N-]C(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271185296 550349945 /nfs/dbraw/zinc/34/99/45/550349945.db2.gz ZKKZJUDGGKPFQP-LLVKDONJSA-N -1 1 353.375 2.098 20 5 FEBDMM COC(=O)c1coc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000273443769 550498843 /nfs/dbraw/zinc/49/88/43/550498843.db2.gz DQJCQBYCAZQOSI-UHFFFAOYSA-N -1 1 362.294 2.388 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000273628266 550505702 /nfs/dbraw/zinc/50/57/02/550505702.db2.gz SDACSWABFRMJJO-ZETCQYMHSA-N -1 1 360.392 2.242 20 5 FEBDMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277972408 550734440 /nfs/dbraw/zinc/73/44/40/550734440.db2.gz FHAOAQCCRXJPHN-BMIGLBTASA-N -1 1 361.354 2.210 20 5 FEBDMM CC(C)(C)c1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC000285220332 551722647 /nfs/dbraw/zinc/72/26/47/551722647.db2.gz WRVHWNWIXNQIGG-UHFFFAOYSA-N -1 1 360.342 2.263 20 5 FEBDMM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291311612 552613361 /nfs/dbraw/zinc/61/33/61/552613361.db2.gz RTZLMDMTKXQSJJ-NSHDSACASA-N -1 1 360.345 2.091 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291472247 552627906 /nfs/dbraw/zinc/62/79/06/552627906.db2.gz QNHGJUINGIENFB-LLVKDONJSA-N -1 1 373.331 2.434 20 5 FEBDMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000292497844 552732417 /nfs/dbraw/zinc/73/24/17/552732417.db2.gz JNUKWKPUCFHVBY-UHFFFAOYSA-N -1 1 355.350 2.392 20 5 FEBDMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@@H](C)O1 ZINC000299073406 553511789 /nfs/dbraw/zinc/51/17/89/553511789.db2.gz DSBHVJYTSVLZIQ-VXGBXAGGSA-N -1 1 372.381 2.425 20 5 FEBDMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299658337 553597786 /nfs/dbraw/zinc/59/77/86/553597786.db2.gz KWBVICCAOBTTHG-UHFFFAOYSA-N -1 1 374.390 2.134 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000326199544 553779717 /nfs/dbraw/zinc/77/97/17/553779717.db2.gz PCYLJZWECUQGND-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000507020012 561714305 /nfs/dbraw/zinc/71/43/05/561714305.db2.gz IRULQFGADJTJTQ-UHFFFAOYSA-N -1 1 364.335 2.124 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)[n-]1 ZINC000351007481 554829507 /nfs/dbraw/zinc/82/95/07/554829507.db2.gz OZQKJEKLZIOSEH-UHFFFAOYSA-N -1 1 356.220 2.371 20 5 FEBDMM O=C(NC1CCN(c2cccc(F)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365664073 555635216 /nfs/dbraw/zinc/63/52/16/555635216.db2.gz OYRWPNSNXAGTGG-UHFFFAOYSA-N -1 1 360.345 2.233 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000365767102 555663484 /nfs/dbraw/zinc/66/34/84/555663484.db2.gz BAIRCKSBZXRDMI-SFHVURJKSA-N -1 1 355.350 2.357 20 5 FEBDMM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000515770925 562021524 /nfs/dbraw/zinc/02/15/24/562021524.db2.gz ABPIZIUVRMWTKF-UHFFFAOYSA-N -1 1 358.763 2.200 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369738556 556681794 /nfs/dbraw/zinc/68/17/94/556681794.db2.gz YALTUIOVHWXWEW-MRXNPFEDSA-N -1 1 365.349 2.137 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2nccn2C)s1 ZINC000371072388 557066597 /nfs/dbraw/zinc/06/65/97/557066597.db2.gz BMDKTYHYHZGSNY-UHFFFAOYSA-N -1 1 360.355 2.108 20 5 FEBDMM C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000371178269 557098437 /nfs/dbraw/zinc/09/84/37/557098437.db2.gz RKCMVKXWZNOYET-SNVBAGLBSA-N -1 1 369.337 2.106 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000518618341 562115458 /nfs/dbraw/zinc/11/54/58/562115458.db2.gz MGGZYVDZTCTVBM-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM CCN(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1C ZINC000525186731 562242316 /nfs/dbraw/zinc/24/23/16/562242316.db2.gz WZODSADRQOSNKM-UHFFFAOYSA-N -1 1 364.427 2.103 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Sc1ccccc1 ZINC000525188169 562242460 /nfs/dbraw/zinc/24/24/60/562242460.db2.gz XMNUVWQDJYDCGU-LLVKDONJSA-N -1 1 353.425 2.449 20 5 FEBDMM COc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000414482818 559167931 /nfs/dbraw/zinc/16/79/31/559167931.db2.gz XXJMLHYASDPCHV-NSHDSACASA-N -1 1 356.322 2.469 20 5 FEBDMM C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)(C)C ZINC000425039172 559684655 /nfs/dbraw/zinc/68/46/55/559684655.db2.gz MNOMZQQGVXKYNF-GXFFZTMASA-N -1 1 365.386 2.278 20 5 FEBDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000436528709 559944572 /nfs/dbraw/zinc/94/45/72/559944572.db2.gz PAFYVEQNVMAXAL-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436919773 559956415 /nfs/dbraw/zinc/95/64/15/559956415.db2.gz OXGMIDPZGYCXIL-ZDUSSCGKSA-N -1 1 353.338 2.132 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000443415884 560083595 /nfs/dbraw/zinc/08/35/95/560083595.db2.gz INYNFNRNSHNMAX-UHFFFAOYSA-N -1 1 368.419 2.383 20 5 FEBDMM Cc1nc(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)sc1C ZINC000443962618 560097615 /nfs/dbraw/zinc/09/76/15/560097615.db2.gz GUKOKWGEIVFJFN-UHFFFAOYSA-N -1 1 367.412 2.023 20 5 FEBDMM CC(C)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000444970871 560125744 /nfs/dbraw/zinc/12/57/44/560125744.db2.gz ZAOVNZDYDCNNJF-LLVKDONJSA-N -1 1 353.375 2.182 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(OCCCOc2ccccc2)C1 ZINC000444995278 560126169 /nfs/dbraw/zinc/12/61/69/560126169.db2.gz GZFSSZNCCCPKLH-UHFFFAOYSA-N -1 1 373.365 2.006 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)Oc3ccccc32)c([N+](=O)[O-])n1 ZINC000451714063 560324186 /nfs/dbraw/zinc/32/41/86/560324186.db2.gz SZUIGMQOEYYGQB-ZYHUDNBSSA-N -1 1 366.399 2.002 20 5 FEBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000451960308 560340777 /nfs/dbraw/zinc/34/07/77/560340777.db2.gz PNXLOOHMVRKKIL-UHFFFAOYSA-N -1 1 355.372 2.022 20 5 FEBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000470988270 560995973 /nfs/dbraw/zinc/99/59/73/560995973.db2.gz DASJBMNGQMRILV-UHFFFAOYSA-N -1 1 365.353 2.271 20 5 FEBDMM COCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471136544 560998963 /nfs/dbraw/zinc/99/89/63/560998963.db2.gz LKIDIHBAHPBROR-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2C)c([N+](=O)[O-])n1 ZINC000532855444 562490714 /nfs/dbraw/zinc/49/07/14/562490714.db2.gz ZIGPTWQOOAGTOO-UHFFFAOYSA-N -1 1 366.443 2.376 20 5 FEBDMM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000534638802 562538920 /nfs/dbraw/zinc/53/89/20/562538920.db2.gz JEQOOQDEYSRSSI-LBPRGKRZSA-N -1 1 365.411 2.156 20 5 FEBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000537183097 562587241 /nfs/dbraw/zinc/58/72/41/562587241.db2.gz OMKXQLMPKOKDCP-CYBMUJFWSA-N -1 1 362.835 2.324 20 5 FEBDMM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100667 562642463 /nfs/dbraw/zinc/64/24/63/562642463.db2.gz CQWSVMXBSYHXMC-UHFFFAOYSA-N -1 1 357.326 2.185 20 5 FEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000568063008 567823519 /nfs/dbraw/zinc/82/35/19/567823519.db2.gz YWJZIACVXJNYQM-SECBINFHSA-N -1 1 360.313 2.154 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2coc3ccccc23)c([N+](=O)[O-])n1 ZINC000569384809 568400044 /nfs/dbraw/zinc/40/00/44/568400044.db2.gz PZYMVGYWZQXLCN-UHFFFAOYSA-N -1 1 350.356 2.036 20 5 FEBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735873602 598996753 /nfs/dbraw/zinc/99/67/53/598996753.db2.gz HXXUIHAJMLAMMD-UHFFFAOYSA-N -1 1 367.369 2.221 20 5 FEBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735873602 598996755 /nfs/dbraw/zinc/99/67/55/598996755.db2.gz HXXUIHAJMLAMMD-UHFFFAOYSA-N -1 1 367.369 2.221 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cc2ccccc2[nH]1 ZINC000823624737 607329813 /nfs/dbraw/zinc/32/98/13/607329813.db2.gz HVDWWPSXPQXKCC-UHFFFAOYSA-N -1 1 350.342 2.306 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cc2ccccc2[nH]1 ZINC000823624737 607329814 /nfs/dbraw/zinc/32/98/14/607329814.db2.gz HVDWWPSXPQXKCC-UHFFFAOYSA-N -1 1 350.342 2.306 20 5 FEBDMM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821611255 607348111 /nfs/dbraw/zinc/34/81/11/607348111.db2.gz XYMGOOPCEXHGDG-SANMLTNESA-N -1 1 372.410 2.149 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000738371636 598572142 /nfs/dbraw/zinc/57/21/42/598572142.db2.gz VJXRQRSZCPPKCQ-UHFFFAOYSA-N -1 1 360.765 2.347 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000738371636 598572143 /nfs/dbraw/zinc/57/21/43/598572143.db2.gz VJXRQRSZCPPKCQ-UHFFFAOYSA-N -1 1 360.765 2.347 20 5 FEBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000827368501 601123963 /nfs/dbraw/zinc/12/39/63/601123963.db2.gz DESUQRUDESRGFC-SNVBAGLBSA-N -1 1 370.793 2.261 20 5 FEBDMM O=C([O-])CCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000595882832 601844935 /nfs/dbraw/zinc/84/49/35/601844935.db2.gz QTLIXHXKILDSMM-MRXNPFEDSA-N -1 1 361.398 2.277 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809825386 674513461 /nfs/dbraw/zinc/51/34/61/674513461.db2.gz NZXSOVQSSAXPHZ-QMMMGPOBSA-N -1 1 371.198 2.132 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)cc1Cl ZINC000809831594 674514265 /nfs/dbraw/zinc/51/42/65/674514265.db2.gz FVUSQEHNEQWIEC-QMMMGPOBSA-N -1 1 352.771 2.092 20 5 FEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823712541 603630183 /nfs/dbraw/zinc/63/01/83/603630183.db2.gz JGJMLVCXFSKOPQ-NSHDSACASA-N -1 1 352.391 2.147 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500487 604049218 /nfs/dbraw/zinc/04/92/18/604049218.db2.gz KZGONPVXGWTUBL-GXTWGEPZSA-N -1 1 367.402 2.493 20 5 FEBDMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833639988 605176797 /nfs/dbraw/zinc/17/67/97/605176797.db2.gz SIIJVCFLQPLMEG-PKWAYOAASA-N -1 1 351.403 2.169 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823436079 606652856 /nfs/dbraw/zinc/65/28/56/606652856.db2.gz GDLKAXIHCDUBNZ-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823436079 606652857 /nfs/dbraw/zinc/65/28/57/606652857.db2.gz GDLKAXIHCDUBNZ-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM CCN(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1C ZINC000821215114 606698228 /nfs/dbraw/zinc/69/82/28/606698228.db2.gz NSRSYNLBWRESIM-UHFFFAOYSA-N -1 1 368.401 2.417 20 5 FEBDMM CCN(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1C ZINC000821215114 606698229 /nfs/dbraw/zinc/69/82/29/606698229.db2.gz NSRSYNLBWRESIM-UHFFFAOYSA-N -1 1 368.401 2.417 20 5 FEBDMM Cc1ccc(C)n1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822231793 606705696 /nfs/dbraw/zinc/70/56/96/606705696.db2.gz HSANUSLVDZLXNC-UHFFFAOYSA-N -1 1 368.401 2.430 20 5 FEBDMM Cc1ccc(C)n1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822231793 606705698 /nfs/dbraw/zinc/70/56/98/606705698.db2.gz HSANUSLVDZLXNC-UHFFFAOYSA-N -1 1 368.401 2.430 20 5 FEBDMM C[C@@]1(c2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820636555 606719516 /nfs/dbraw/zinc/71/95/16/606719516.db2.gz UECJKALIMLLZAR-QGZVFWFLSA-N -1 1 351.370 2.338 20 5 FEBDMM C[C@@]1(c2ccccc2)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820636555 606719518 /nfs/dbraw/zinc/71/95/18/606719518.db2.gz UECJKALIMLLZAR-QGZVFWFLSA-N -1 1 351.370 2.338 20 5 FEBDMM O=C(Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)C1CC1 ZINC000823350230 607166052 /nfs/dbraw/zinc/16/60/52/607166052.db2.gz FJQIASOCWIMOHR-UHFFFAOYSA-N -1 1 366.341 2.262 20 5 FEBDMM O=C(Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)C1CC1 ZINC000823350230 607166053 /nfs/dbraw/zinc/16/60/53/607166053.db2.gz FJQIASOCWIMOHR-UHFFFAOYSA-N -1 1 366.341 2.262 20 5 FEBDMM CCOCc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821390225 607167429 /nfs/dbraw/zinc/16/74/29/607167429.db2.gz UNEHSNSNRDSOHP-UHFFFAOYSA-N -1 1 355.358 2.319 20 5 FEBDMM CCOCc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821390225 607167431 /nfs/dbraw/zinc/16/74/31/607167431.db2.gz UNEHSNSNRDSOHP-UHFFFAOYSA-N -1 1 355.358 2.319 20 5 FEBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826450825 607997711 /nfs/dbraw/zinc/99/77/11/607997711.db2.gz FNQAUMOHJBUBNG-UHFFFAOYSA-N -1 1 365.309 2.214 20 5 FEBDMM Cc1noc(C)c1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826338498 608163446 /nfs/dbraw/zinc/16/34/46/608163446.db2.gz XPAUTTHESXWFPK-UHFFFAOYSA-N -1 1 363.721 2.285 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826293731 608307001 /nfs/dbraw/zinc/30/70/01/608307001.db2.gz ZPXDFJINTQRLQA-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000560323801 674577352 /nfs/dbraw/zinc/57/73/52/674577352.db2.gz KHXARFFPFLWCHJ-ZFWWWQNUSA-N -1 1 363.395 2.046 20 5 FEBDMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017074 674897109 /nfs/dbraw/zinc/89/71/09/674897109.db2.gz FKJUASDNOKEHMK-LBPRGKRZSA-N -1 1 354.787 2.073 20 5 FEBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031218 674902936 /nfs/dbraw/zinc/90/29/36/674902936.db2.gz OMJNUEZEKZOKBZ-PRHODGIISA-N -1 1 366.798 2.481 20 5 FEBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000101568703 670768249 /nfs/dbraw/zinc/76/82/49/670768249.db2.gz ARQYBWBKJVMUDQ-GFCCVEGCSA-N -1 1 373.818 2.422 20 5 FEBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000111356260 670857521 /nfs/dbraw/zinc/85/75/21/670857521.db2.gz FGKKMBUJPHBRDI-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(CCc3cccs3)CC2)n1 ZINC000576826636 671397716 /nfs/dbraw/zinc/39/77/16/671397716.db2.gz RFFHJEKZFFNRJD-UHFFFAOYSA-N -1 1 362.411 2.114 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])n1 ZINC000577617043 671608454 /nfs/dbraw/zinc/60/84/54/671608454.db2.gz NTUXMYJSYDGTGX-XVSSEFHLSA-N -1 1 356.448 2.304 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000610211915 675959426 /nfs/dbraw/zinc/95/94/26/675959426.db2.gz HZYDZKHVXDFBQQ-ZDUSSCGKSA-N -1 1 351.384 2.428 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1F ZINC000159108069 672277527 /nfs/dbraw/zinc/27/75/27/672277527.db2.gz AIWUVBAVKLQUKA-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000170873898 672326589 /nfs/dbraw/zinc/32/65/89/672326589.db2.gz AXCMHIAMMOPOEA-UHFFFAOYSA-N -1 1 372.349 2.403 20 5 FEBDMM O=c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c[nH]1 ZINC000589559079 672531475 /nfs/dbraw/zinc/53/14/75/672531475.db2.gz QSQXMCZBVRFYDC-UHFFFAOYSA-N -1 1 374.172 2.259 20 5 FEBDMM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000594862292 673169299 /nfs/dbraw/zinc/16/92/99/673169299.db2.gz ALYBLTHMAIHRSU-CHWSQXEVSA-N -1 1 369.443 2.394 20 5 FEBDMM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000462629620 673270172 /nfs/dbraw/zinc/27/01/72/673270172.db2.gz HVMMJPKXMYXWQK-SNVBAGLBSA-N -1 1 372.424 2.411 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000537593638 673396157 /nfs/dbraw/zinc/39/61/57/673396157.db2.gz GINWGYVVAJCHBB-IAQYHMDHSA-N -1 1 364.427 2.413 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000538541507 673445502 /nfs/dbraw/zinc/44/55/02/673445502.db2.gz ZCMAJBONCTVHGN-LBPRGKRZSA-N -1 1 367.358 2.321 20 5 FEBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539148434 673476426 /nfs/dbraw/zinc/47/64/26/673476426.db2.gz ILIDELHAJZXJAL-UHFFFAOYSA-N -1 1 368.346 2.061 20 5 FEBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000539949644 673515357 /nfs/dbraw/zinc/51/53/57/673515357.db2.gz CMAXZICTKPBGAV-RTXFEEFZSA-N -1 1 357.432 2.108 20 5 FEBDMM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CO2 ZINC000599373609 673665653 /nfs/dbraw/zinc/66/56/53/673665653.db2.gz BWMMHLNSGWKLQB-SNVBAGLBSA-N -1 1 354.409 2.247 20 5 FEBDMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599410797 673671693 /nfs/dbraw/zinc/67/16/93/673671693.db2.gz RBIJSZVYOJVPGD-JTQLQIEISA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc2c1 ZINC000745946077 673858294 /nfs/dbraw/zinc/85/82/94/673858294.db2.gz XCDLGRZAWZJOBK-UHFFFAOYSA-N -1 1 364.358 2.397 20 5 FEBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[nH]c2c1 ZINC000745946077 673858295 /nfs/dbraw/zinc/85/82/95/673858295.db2.gz XCDLGRZAWZJOBK-UHFFFAOYSA-N -1 1 364.358 2.397 20 5 FEBDMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603571940 675800178 /nfs/dbraw/zinc/80/01/78/675800178.db2.gz GVGBAVHEWXVZNA-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000828288376 675810670 /nfs/dbraw/zinc/81/06/70/675810670.db2.gz ILAJHQTXVDEXDN-BQBZGAKWSA-N -1 1 355.199 2.357 20 5 FEBDMM COC[C@@]1(C(=O)[O-])CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000874043704 685278386 /nfs/dbraw/zinc/27/83/86/685278386.db2.gz XGNZOMGLGZXBLI-CQSZACIVSA-N -1 1 373.203 2.280 20 5 FEBDMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000751141390 680156035 /nfs/dbraw/zinc/15/60/35/680156035.db2.gz FZAHIMIUEDZIAI-UHFFFAOYSA-N -1 1 363.326 2.376 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(C)C ZINC000841562018 680898218 /nfs/dbraw/zinc/89/82/18/680898218.db2.gz TWDAKDZYAPIXNQ-GXFFZTMASA-N -1 1 368.814 2.461 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)[C@@H]1O ZINC000841565945 680899091 /nfs/dbraw/zinc/89/90/91/680899091.db2.gz DREVQFJDKBHCOP-GZMMTYOYSA-N -1 1 370.761 2.075 20 5 FEBDMM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837550 680960598 /nfs/dbraw/zinc/96/05/98/680960598.db2.gz DUGSDQHBPPSXCM-LLVKDONJSA-N -1 1 370.408 2.467 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000775728319 681329119 /nfs/dbraw/zinc/32/91/19/681329119.db2.gz GKUCMFHMWOLFNT-LLVKDONJSA-N -1 1 374.390 2.088 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cccnc1Cl ZINC000780073087 681790142 /nfs/dbraw/zinc/79/01/42/681790142.db2.gz XVZLMNOAFWRYTE-UHFFFAOYSA-N -1 1 351.702 2.144 20 5 FEBDMM CCn1nccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000851896890 682181111 /nfs/dbraw/zinc/18/11/11/682181111.db2.gz LSFFNLJCBOSFMF-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM Cc1nc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000783909762 682185598 /nfs/dbraw/zinc/18/55/98/682185598.db2.gz CCCAHHLQQVGCAB-UHFFFAOYSA-N -1 1 369.424 2.273 20 5 FEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000784483359 682231683 /nfs/dbraw/zinc/23/16/83/682231683.db2.gz GBVWQHGMEMVWTO-UHFFFAOYSA-N -1 1 367.343 2.370 20 5 FEBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(Cl)ccc1[O-] ZINC000790045949 682651661 /nfs/dbraw/zinc/65/16/61/682651661.db2.gz BPBNTTPTJTYWOT-UHFFFAOYSA-N -1 1 364.745 2.107 20 5 FEBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000859433466 683109366 /nfs/dbraw/zinc/10/93/66/683109366.db2.gz KRDGKYBHGDDCIN-CQSZACIVSA-N -1 1 369.424 2.490 20 5 FEBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228523 683325457 /nfs/dbraw/zinc/32/54/57/683325457.db2.gz METFLDOUEIMEDK-HQJQHLMTSA-N -1 1 354.787 2.073 20 5 FEBDMM O=C([N-]CC1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1)C(F)(F)F ZINC000866296507 684089924 /nfs/dbraw/zinc/08/99/24/684089924.db2.gz RWPXLAZORKEVDF-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000872657377 684997954 /nfs/dbraw/zinc/99/79/54/684997954.db2.gz CAKSLIGDJXZGDZ-CIQACWJJSA-N -1 1 358.391 2.278 20 5 FEBDMM O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127814845 544015693 /nfs/dbraw/zinc/01/56/93/544015693.db2.gz LAAQTKKMDPSKOG-UHFFFAOYSA-N -1 1 371.397 2.401 20 5 FEBDMM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000187748206 328043612 /nfs/dbraw/zinc/04/36/12/328043612.db2.gz HESXRZMHUBXRNB-VIFPVBQESA-N -1 1 352.372 2.269 20 5 FEBDMM Cc1ccc2c(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn(C)c2c1 ZINC000188429039 328086556 /nfs/dbraw/zinc/08/65/56/328086556.db2.gz JFDJVRVYGAOEGQ-UHFFFAOYSA-N -1 1 354.366 2.468 20 5 FEBDMM O=C(NCCc1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193594399 328384171 /nfs/dbraw/zinc/38/41/71/328384171.db2.gz MNHDOOUNMDWZNL-UHFFFAOYSA-N -1 1 366.171 2.430 20 5 FEBDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194633517 328433567 /nfs/dbraw/zinc/43/35/67/328433567.db2.gz AJCILFPMOJXMGD-JOCHJYFZSA-N -1 1 354.409 2.274 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000032592326 324478363 /nfs/dbraw/zinc/47/83/63/324478363.db2.gz OCALPELRVALCOS-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088564082 325297396 /nfs/dbraw/zinc/29/73/96/325297396.db2.gz BNCWDAMZTXIPRM-UHFFFAOYSA-N -1 1 350.334 2.442 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cn1cccn1 ZINC000119562693 326175826 /nfs/dbraw/zinc/17/58/26/326175826.db2.gz VXQWDXGYXUNDNX-JTQLQIEISA-N -1 1 358.807 2.059 20 5 FEBDMM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000167632968 327085552 /nfs/dbraw/zinc/08/55/52/327085552.db2.gz UHLDDRTVECLRFI-UHFFFAOYSA-N -1 1 370.406 2.071 20 5 FEBDMM Cc1cnccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000167708344 327085825 /nfs/dbraw/zinc/08/58/25/327085825.db2.gz SHMOGNJDYMWYQT-UHFFFAOYSA-N -1 1 355.803 2.473 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000175348851 327388391 /nfs/dbraw/zinc/38/83/91/327388391.db2.gz DCGSXBHJZDDBRM-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178776557 327606374 /nfs/dbraw/zinc/60/63/74/327606374.db2.gz PZFJKFGJODHKFY-VIFPVBQESA-N -1 1 350.824 2.324 20 5 FEBDMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246737425 328641576 /nfs/dbraw/zinc/64/15/76/328641576.db2.gz WGBRCMPGIOPKJX-ULQSSITMSA-N -1 1 366.486 2.014 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1[N+](=O)[O-] ZINC000275694666 330078510 /nfs/dbraw/zinc/07/85/10/330078510.db2.gz QATDEVZLUCRJQX-UHFFFAOYSA-N -1 1 364.379 2.482 20 5 FEBDMM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1=O ZINC000478124852 561160417 /nfs/dbraw/zinc/16/04/17/561160417.db2.gz YUYVTTXYBFONGR-LLVKDONJSA-N -1 1 357.326 2.010 20 5 FEBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480744268 561215758 /nfs/dbraw/zinc/21/57/58/561215758.db2.gz YCUNBVNQSXFRFE-VIFPVBQESA-N -1 1 350.418 2.055 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182023802 547424843 /nfs/dbraw/zinc/42/48/43/547424843.db2.gz LREXBEWLENPPPB-GUYCJALGSA-N -1 1 370.409 2.336 20 5 FEBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000484570537 561300297 /nfs/dbraw/zinc/30/02/97/561300297.db2.gz DRMDROUVBJLEKQ-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000484570537 561300298 /nfs/dbraw/zinc/30/02/98/561300298.db2.gz DRMDROUVBJLEKQ-QMMMGPOBSA-N -1 1 350.356 2.224 20 5 FEBDMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185783930 548035037 /nfs/dbraw/zinc/03/50/37/548035037.db2.gz DUYBLLIEMBHPKR-UHFFFAOYSA-N -1 1 362.289 2.443 20 5 FEBDMM CC(C)(CO)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000185878602 548049653 /nfs/dbraw/zinc/04/96/53/548049653.db2.gz VSYRAQAGQMLSOL-CQSZACIVSA-N -1 1 359.382 2.228 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000486558197 561350730 /nfs/dbraw/zinc/35/07/30/561350730.db2.gz PUGDNXXSFQHTTI-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000490445102 561433357 /nfs/dbraw/zinc/43/33/57/561433357.db2.gz NIAANGHKBICZMX-UHFFFAOYSA-N -1 1 356.379 2.164 20 5 FEBDMM CCc1nnsc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000280718092 551024703 /nfs/dbraw/zinc/02/47/03/551024703.db2.gz UDRSIMXEVKJVPW-UHFFFAOYSA-N -1 1 350.356 2.422 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000499161301 561544825 /nfs/dbraw/zinc/54/48/25/561544825.db2.gz MSSFVTPOJJLVKI-UHFFFAOYSA-N -1 1 366.351 2.181 20 5 FEBDMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289073258 552261991 /nfs/dbraw/zinc/26/19/91/552261991.db2.gz HBJNBPHEFGMACJ-SECBINFHSA-N -1 1 357.215 2.197 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nn[n-]n1 ZINC000291678193 552650193 /nfs/dbraw/zinc/65/01/93/552650193.db2.gz MQLWTUCBWNKYES-LURJTMIESA-N -1 1 359.173 2.290 20 5 FEBDMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000291863081 552669403 /nfs/dbraw/zinc/66/94/03/552669403.db2.gz IZNOBWZBMSOMAS-UHFFFAOYSA-N -1 1 358.807 2.195 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)c(Cl)cc1Cl ZINC000295628892 553036093 /nfs/dbraw/zinc/03/60/93/553036093.db2.gz CNISGAJRAWYCLT-SFYZADRCSA-N -1 1 369.226 2.341 20 5 FEBDMM CCNC(=O)[C@H](C)[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000298432701 553424429 /nfs/dbraw/zinc/42/44/29/553424429.db2.gz OFUDDPNRQWLPMA-LURJTMIESA-N -1 1 350.253 2.458 20 5 FEBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000325771768 553777618 /nfs/dbraw/zinc/77/76/18/553777618.db2.gz WEVJPAMETLLRBZ-UHFFFAOYSA-N -1 1 372.742 2.453 20 5 FEBDMM O=C([O-])CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000328054030 553792969 /nfs/dbraw/zinc/79/29/69/553792969.db2.gz SQLKNJHLKHOBPO-UHFFFAOYSA-N -1 1 374.390 2.437 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000365190648 555506117 /nfs/dbraw/zinc/50/61/17/555506117.db2.gz BYOZYQVUBMWFQM-MRVPVSSYSA-N -1 1 373.300 2.376 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369738555 556681840 /nfs/dbraw/zinc/68/18/40/556681840.db2.gz YALTUIOVHWXWEW-INIZCTEOSA-N -1 1 365.349 2.137 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000518646700 562115984 /nfs/dbraw/zinc/11/59/84/562115984.db2.gz COIZRYXCYNTJLH-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000410414502 558755886 /nfs/dbraw/zinc/75/58/86/558755886.db2.gz ANVXWDAPALSESV-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1F ZINC000411294842 558870476 /nfs/dbraw/zinc/87/04/76/558870476.db2.gz SCTMEPLCZNIFGI-UHFFFAOYSA-N -1 1 363.227 2.061 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000525699972 562252643 /nfs/dbraw/zinc/25/26/43/562252643.db2.gz BTSPHESERBHGLU-LBPRGKRZSA-N -1 1 367.358 2.321 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000416636622 559326680 /nfs/dbraw/zinc/32/66/80/559326680.db2.gz WLXKASDUSIXHBZ-UHFFFAOYSA-N -1 1 374.831 2.456 20 5 FEBDMM CC(C)(C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1[N+](=O)[O-] ZINC000425320345 559696366 /nfs/dbraw/zinc/69/63/66/559696366.db2.gz KRHRAWYBJPRMIQ-UHFFFAOYSA-N -1 1 360.370 2.367 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000428040798 559768254 /nfs/dbraw/zinc/76/82/54/559768254.db2.gz XXIVZGDJTJUVMF-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])n1 ZINC000435597252 559925893 /nfs/dbraw/zinc/92/58/93/559925893.db2.gz IWDKHINYRWVXJL-AULYBMBSSA-N -1 1 368.390 2.175 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000435803532 559930373 /nfs/dbraw/zinc/93/03/73/559930373.db2.gz HBVHAAANGVWESJ-MRVPVSSYSA-N -1 1 360.342 2.129 20 5 FEBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000436479796 559942530 /nfs/dbraw/zinc/94/25/30/559942530.db2.gz VMUPXUWPRNEZLL-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[nH]c21 ZINC000437007073 559959327 /nfs/dbraw/zinc/95/93/27/559959327.db2.gz YZDGMOYSNMFUBV-UHFFFAOYSA-N -1 1 356.294 2.216 20 5 FEBDMM C[C@H](CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[n-]n1 ZINC000444295900 560108428 /nfs/dbraw/zinc/10/84/28/560108428.db2.gz PUIBXKPTUNDLGK-LLVKDONJSA-N -1 1 362.393 2.070 20 5 FEBDMM COc1ccc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000445007044 560126500 /nfs/dbraw/zinc/12/65/00/560126500.db2.gz IKDNEBUWLJCCRN-JTQLQIEISA-N -1 1 361.354 2.074 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)s1 ZINC000451896891 560335472 /nfs/dbraw/zinc/33/54/72/560335472.db2.gz GXDZXQPWRKQBQL-VXGBXAGGSA-N -1 1 369.424 2.250 20 5 FEBDMM CC(C)N1CCc2nc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021778 560381476 /nfs/dbraw/zinc/38/14/76/560381476.db2.gz GDHJPMHVDZJSCB-ARJAWSKDSA-N -1 1 363.399 2.189 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000469202085 560949762 /nfs/dbraw/zinc/94/97/62/560949762.db2.gz UBXVKBXKNZZPMR-ZETCQYMHSA-N -1 1 370.305 2.001 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nccnc3c2)ccc1[N+](=O)[O-] ZINC000471111711 560998490 /nfs/dbraw/zinc/99/84/90/560998490.db2.gz CWHJQXBSEWERPS-UHFFFAOYSA-N -1 1 374.334 2.037 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000471117071 560998586 /nfs/dbraw/zinc/99/85/86/560998586.db2.gz ROCNNKSHFQJXLP-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM COCCC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473512750 561051700 /nfs/dbraw/zinc/05/17/00/561051700.db2.gz LGUQQMCUQPBKTH-HNNXBMFYSA-N -1 1 359.382 2.463 20 5 FEBDMM COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549717920 562638296 /nfs/dbraw/zinc/63/82/96/562638296.db2.gz KBMNMLBOZDNOEJ-WBVHZDCISA-N -1 1 364.398 2.091 20 5 FEBDMM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000550121796 562642906 /nfs/dbraw/zinc/64/29/06/562642906.db2.gz FUGBNDFJTANBMH-SECBINFHSA-N -1 1 357.326 2.185 20 5 FEBDMM CCOc1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821427218 607331913 /nfs/dbraw/zinc/33/19/13/607331913.db2.gz OOVFMOYTVIAFCF-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM CCOc1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821427218 607331914 /nfs/dbraw/zinc/33/19/14/607331914.db2.gz OOVFMOYTVIAFCF-UHFFFAOYSA-N -1 1 355.358 2.223 20 5 FEBDMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000808320819 674452293 /nfs/dbraw/zinc/45/22/93/674452293.db2.gz MMPAUHLFPNNXBL-ZETCQYMHSA-N -1 1 371.293 2.349 20 5 FEBDMM COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000561734848 599760077 /nfs/dbraw/zinc/76/00/77/599760077.db2.gz YGXWGGCLIHRJPA-CQSZACIVSA-N -1 1 370.321 2.035 20 5 FEBDMM CN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825971435 607450450 /nfs/dbraw/zinc/45/04/50/607450450.db2.gz GKPAGENZGOZSSD-UHFFFAOYSA-N -1 1 354.326 2.140 20 5 FEBDMM CN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825971435 607450453 /nfs/dbraw/zinc/45/04/53/607450453.db2.gz GKPAGENZGOZSSD-UHFFFAOYSA-N -1 1 354.326 2.140 20 5 FEBDMM CC(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824228741 607451161 /nfs/dbraw/zinc/45/11/61/607451161.db2.gz KFGRTJHCNVMLHU-UHFFFAOYSA-N -1 1 373.417 2.224 20 5 FEBDMM CC(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824228741 607451163 /nfs/dbraw/zinc/45/11/63/607451163.db2.gz KFGRTJHCNVMLHU-UHFFFAOYSA-N -1 1 373.417 2.224 20 5 FEBDMM O=C([O-])CCCc1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000739710882 600537659 /nfs/dbraw/zinc/53/76/59/600537659.db2.gz LGNXTOQQDDWHSW-UHFFFAOYSA-N -1 1 354.319 2.245 20 5 FEBDMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000558586668 674504879 /nfs/dbraw/zinc/50/48/79/674504879.db2.gz MCSDOIALQMJOGB-UHFFFAOYSA-N -1 1 354.315 2.162 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1[N+](=O)[O-] ZINC000740092763 602869110 /nfs/dbraw/zinc/86/91/10/602869110.db2.gz DSTOKAXZFAVVIX-UHFFFAOYSA-N -1 1 352.328 2.189 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)cc1Cl ZINC000809820814 674512662 /nfs/dbraw/zinc/51/26/62/674512662.db2.gz CNOFEWAZESGAGY-RKDXNWHRSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000809833772 674514554 /nfs/dbraw/zinc/51/45/54/674514554.db2.gz YOTPNFSDTWEPNV-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740632573 602993522 /nfs/dbraw/zinc/99/35/22/602993522.db2.gz MVVNRXQVIHYRDJ-SKDRFNHKSA-N -1 1 361.358 2.027 20 5 FEBDMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738808343 603226308 /nfs/dbraw/zinc/22/63/08/603226308.db2.gz UOKFRKFJUYFZLD-MRXNPFEDSA-N -1 1 363.374 2.273 20 5 FEBDMM Cc1nn(CN(C)CC[C@@H](NC(=O)[O-])C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000830870993 603922461 /nfs/dbraw/zinc/92/24/61/603922461.db2.gz OYMLYNIBNODODD-CQSZACIVSA-N -1 1 364.406 2.220 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@H]2[C@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500488 604048727 /nfs/dbraw/zinc/04/87/27/604048727.db2.gz KZGONPVXGWTUBL-JSGCOSHPSA-N -1 1 367.402 2.493 20 5 FEBDMM Cc1oc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833025748 604833820 /nfs/dbraw/zinc/83/38/20/604833820.db2.gz RYKXXZPXJUDFCP-UHFFFAOYSA-N -1 1 350.331 2.313 20 5 FEBDMM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000821823787 606132604 /nfs/dbraw/zinc/13/26/04/606132604.db2.gz CNSRPEJWNYRBTP-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000821823787 606132605 /nfs/dbraw/zinc/13/26/05/606132605.db2.gz CNSRPEJWNYRBTP-UHFFFAOYSA-N -1 1 361.339 2.202 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1-c1nn[n-]n1 ZINC000823634182 606644170 /nfs/dbraw/zinc/64/41/70/606644170.db2.gz BXNBOWLIPGNVEA-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM COc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1OC ZINC000821867398 606645481 /nfs/dbraw/zinc/64/54/81/606645481.db2.gz FGOSPISYTDYIOV-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000820777228 606700792 /nfs/dbraw/zinc/70/07/92/606700792.db2.gz QGGSPKGBUUUUAA-SMDDNHRTSA-N -1 1 367.369 2.136 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000820777228 606700794 /nfs/dbraw/zinc/70/07/94/606700794.db2.gz QGGSPKGBUUUUAA-SMDDNHRTSA-N -1 1 367.369 2.136 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1coc(-c2ccccc2)n1 ZINC000823624517 606712899 /nfs/dbraw/zinc/71/28/99/606712899.db2.gz BGGYXUBXDRPFRA-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1coc(-c2ccccc2)n1 ZINC000823624517 606712901 /nfs/dbraw/zinc/71/29/01/606712901.db2.gz BGGYXUBXDRPFRA-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM CCc1nnc(Oc2cc(C=O)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821548791 606925577 /nfs/dbraw/zinc/92/55/77/606925577.db2.gz YPSHTGUZHMCWCB-UHFFFAOYSA-N -1 1 369.341 2.295 20 5 FEBDMM CCc1nnc(Oc2cc(C=O)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821548791 606925578 /nfs/dbraw/zinc/92/55/78/606925578.db2.gz YPSHTGUZHMCWCB-UHFFFAOYSA-N -1 1 369.341 2.295 20 5 FEBDMM Cc1occc1-c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000822553543 607163202 /nfs/dbraw/zinc/16/32/02/607163202.db2.gz MFZLBAPIAMNMOQ-UHFFFAOYSA-N -1 1 372.326 2.273 20 5 FEBDMM Cc1occc1-c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000822553543 607163204 /nfs/dbraw/zinc/16/32/04/607163204.db2.gz MFZLBAPIAMNMOQ-UHFFFAOYSA-N -1 1 372.326 2.273 20 5 FEBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000826498434 607864903 /nfs/dbraw/zinc/86/49/03/607864903.db2.gz UQWRXWHEOMEOJC-UHFFFAOYSA-N -1 1 373.300 2.360 20 5 FEBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000826498434 607864904 /nfs/dbraw/zinc/86/49/04/607864904.db2.gz UQWRXWHEOMEOJC-UHFFFAOYSA-N -1 1 373.300 2.360 20 5 FEBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc21 ZINC000824813133 607967262 /nfs/dbraw/zinc/96/72/62/607967262.db2.gz UNWVQPULKXVNGH-UHFFFAOYSA-N -1 1 351.370 2.468 20 5 FEBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc21 ZINC000824813133 607967263 /nfs/dbraw/zinc/96/72/63/607967263.db2.gz UNWVQPULKXVNGH-UHFFFAOYSA-N -1 1 351.370 2.468 20 5 FEBDMM COc1ccc(C[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000826191544 607968374 /nfs/dbraw/zinc/96/83/74/607968374.db2.gz JEYUFLRSIZLYIB-LLVKDONJSA-N -1 1 369.385 2.469 20 5 FEBDMM COc1ccc(C[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000826191544 607968375 /nfs/dbraw/zinc/96/83/75/607968375.db2.gz JEYUFLRSIZLYIB-LLVKDONJSA-N -1 1 369.385 2.469 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000561562861 674680399 /nfs/dbraw/zinc/68/03/99/674680399.db2.gz MNBIUBXCQQLSSE-LBPRGKRZSA-N -1 1 371.802 2.045 20 5 FEBDMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010983 674895218 /nfs/dbraw/zinc/89/52/18/674895218.db2.gz VWRWPSZRMLFGQG-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1cscn1 ZINC000815018461 674897930 /nfs/dbraw/zinc/89/79/30/674897930.db2.gz QGRRDVFOPXIQAJ-UHFFFAOYSA-N -1 1 365.795 2.365 20 5 FEBDMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021461 674899812 /nfs/dbraw/zinc/89/98/12/674899812.db2.gz PGIQQNMTHLZRJA-SNVBAGLBSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000815033119 674903949 /nfs/dbraw/zinc/90/39/49/674903949.db2.gz VLDJDLIEQCLDOK-QMMMGPOBSA-N -1 1 352.771 2.092 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000815039044 674905475 /nfs/dbraw/zinc/90/54/75/674905475.db2.gz RDDYREOIHDXXSC-LBPRGKRZSA-N -1 1 368.814 2.461 20 5 FEBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815079285 674913456 /nfs/dbraw/zinc/91/34/56/674913456.db2.gz OUWZGUSRSABBOL-LLVKDONJSA-N -1 1 352.771 2.091 20 5 FEBDMM CCCc1n[n-]c(=S)n1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000009890790 669985115 /nfs/dbraw/zinc/98/51/15/669985115.db2.gz LQBOHTUQPKSHLH-UHFFFAOYSA-N -1 1 364.431 2.030 20 5 FEBDMM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nn1 ZINC000817154685 675106749 /nfs/dbraw/zinc/10/67/49/675106749.db2.gz VTUKFHLJIODWRB-UHFFFAOYSA-N -1 1 359.433 2.042 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608909016 675906991 /nfs/dbraw/zinc/90/69/91/675906991.db2.gz LBCKJVKOVPFWNE-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])n1 ZINC000577617042 671608544 /nfs/dbraw/zinc/60/85/44/671608544.db2.gz NTUXMYJSYDGTGX-WTIISPKJSA-N -1 1 356.448 2.304 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000610212433 675959539 /nfs/dbraw/zinc/95/95/39/675959539.db2.gz WSXQWFNEBXNLTM-UHFFFAOYSA-N -1 1 357.775 2.001 20 5 FEBDMM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175131873 672365595 /nfs/dbraw/zinc/36/55/95/672365595.db2.gz SFEGLZKMHFEPIC-ABAIWWIYSA-N -1 1 360.407 2.463 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594486448 673090094 /nfs/dbraw/zinc/09/00/94/673090094.db2.gz FZKOSLCHPGFVOL-ZYHUDNBSSA-N -1 1 368.333 2.373 20 5 FEBDMM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000594790719 673143457 /nfs/dbraw/zinc/14/34/57/673143457.db2.gz GNYXRRRRNLKSBY-ZDUSSCGKSA-N -1 1 370.406 2.250 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000594866631 673171176 /nfs/dbraw/zinc/17/11/76/673171176.db2.gz SNSFVDZVHJLLCO-UHFFFAOYSA-N -1 1 360.819 2.078 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)s1 ZINC000510407013 673344426 /nfs/dbraw/zinc/34/44/26/673344426.db2.gz HYZVVVSLAVEQLS-NSHDSACASA-N -1 1 354.409 2.328 20 5 FEBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575372 673372660 /nfs/dbraw/zinc/37/26/60/673372660.db2.gz FXARHBXVUQNQCY-ZDUSSCGKSA-N -1 1 358.745 2.281 20 5 FEBDMM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000537184154 673383730 /nfs/dbraw/zinc/38/37/30/673383730.db2.gz BQHXVBZVFCKTPY-TVQRCGJNSA-N -1 1 362.429 2.057 20 5 FEBDMM COC(=O)[C@](C)([N-]S(=O)(=O)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599488505 673683524 /nfs/dbraw/zinc/68/35/24/673683524.db2.gz ZCGRBPCIFGYCCD-MRXNPFEDSA-N -1 1 372.443 2.339 20 5 FEBDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000544714550 673728456 /nfs/dbraw/zinc/72/84/56/673728456.db2.gz JHKBLFDTJNOQQO-OAHLLOKOSA-N -1 1 370.427 2.136 20 5 FEBDMM O=C([N-]c1nn2cnnc2s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604522516 675805644 /nfs/dbraw/zinc/80/56/44/675805644.db2.gz XTHPBHBGRMCKIK-UHFFFAOYSA-N -1 1 373.379 2.470 20 5 FEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000828288379 675810674 /nfs/dbraw/zinc/81/06/74/675810674.db2.gz ILAJHQTXVDEXDN-RQJHMYQMSA-N -1 1 355.199 2.357 20 5 FEBDMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830614407 677050800 /nfs/dbraw/zinc/05/08/00/677050800.db2.gz HYMJYCMGMDMAQJ-LLVKDONJSA-N -1 1 357.215 2.341 20 5 FEBDMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000748659997 679985934 /nfs/dbraw/zinc/98/59/34/679985934.db2.gz XATGFELXCUHINJ-CYBMUJFWSA-N -1 1 364.807 2.258 20 5 FEBDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000832524446 680143907 /nfs/dbraw/zinc/14/39/07/680143907.db2.gz OJKPSBLAFOHJKZ-CPFSXVBKSA-N -1 1 366.798 2.479 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000751493878 680183188 /nfs/dbraw/zinc/18/31/88/680183188.db2.gz SRDVDQVHOQWTKJ-UHFFFAOYSA-N -1 1 362.835 2.469 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000754242585 680344942 /nfs/dbraw/zinc/34/49/42/680344942.db2.gz YYMZXOITAPELGN-VIFPVBQESA-N -1 1 368.889 2.375 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000841559681 680897749 /nfs/dbraw/zinc/89/77/49/680897749.db2.gz DZKPIHAKZHVKQY-GWCFXTLKSA-N -1 1 368.814 2.461 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F ZINC000849443609 681737109 /nfs/dbraw/zinc/73/71/09/681737109.db2.gz HCAXPDCYPYQBPK-SNVBAGLBSA-N -1 1 374.724 2.090 20 5 FEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1 ZINC000780070276 681789318 /nfs/dbraw/zinc/78/93/18/681789318.db2.gz WNIFTVJOMCMATI-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851468308 682070014 /nfs/dbraw/zinc/07/00/14/682070014.db2.gz CVTHMCVVMIYIOF-CHWSQXEVSA-N -1 1 354.428 2.071 20 5 FEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000784215734 682208220 /nfs/dbraw/zinc/20/82/20/682208220.db2.gz PFROFHFNDNXZIT-GRYCIOLGSA-N -1 1 350.371 2.350 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000918191343 685537899 /nfs/dbraw/zinc/53/78/99/685537899.db2.gz DGGBKTCTCRGLEA-UHFFFAOYSA-N -1 1 358.322 2.230 20 5 FEBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789484907 682609288 /nfs/dbraw/zinc/60/92/88/682609288.db2.gz CEEKSZTXBVOTCE-UHFFFAOYSA-N -1 1 371.459 2.220 20 5 FEBDMM COCn1nc(C)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1C ZINC000789738529 682628391 /nfs/dbraw/zinc/62/83/91/682628391.db2.gz OZZJWENMJNWGBT-UHFFFAOYSA-N -1 1 372.378 2.260 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000791411016 682741497 /nfs/dbraw/zinc/74/14/97/682741497.db2.gz GNYMSJGDUOGCJE-ZETCQYMHSA-N -1 1 355.199 2.359 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859340368 683087132 /nfs/dbraw/zinc/08/71/32/683087132.db2.gz FKJHKEQCAQRMNY-UGNBQVLZSA-N -1 1 366.798 2.478 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000920259774 683326660 /nfs/dbraw/zinc/32/66/60/683326660.db2.gz KKUSZEDUUMSRQY-UHFFFAOYSA-N -1 1 364.358 2.062 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000920935802 683380841 /nfs/dbraw/zinc/38/08/41/683380841.db2.gz DFTDLEFWESOCES-NKWVEPMBSA-N -1 1 360.335 2.045 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920937185 683381756 /nfs/dbraw/zinc/38/17/56/683381756.db2.gz RKJFZYGBTNTRSE-XCBNKYQSSA-N -1 1 372.296 2.122 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000920937181 683381798 /nfs/dbraw/zinc/38/17/98/683381798.db2.gz RKJFZYGBTNTRSE-GMSGAONNSA-N -1 1 372.296 2.122 20 5 FEBDMM CO[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000921402990 683458316 /nfs/dbraw/zinc/45/83/16/683458316.db2.gz MBTINXRZRFXONZ-GFCCVEGCSA-N -1 1 366.848 2.049 20 5 FEBDMM COc1ccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001677 541277763 /nfs/dbraw/zinc/27/77/63/541277763.db2.gz DDRFXQDQGUWFAX-UHFFFAOYSA-N -1 1 372.424 2.412 20 5 FEBDMM CN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)CC1 ZINC000077020856 542341992 /nfs/dbraw/zinc/34/19/92/542341992.db2.gz DFACURNYVNVPJR-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000124347722 543815752 /nfs/dbraw/zinc/81/57/52/543815752.db2.gz KKSZIGWZDKRRQH-SSDOTTSWSA-N -1 1 358.280 2.002 20 5 FEBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000125311494 543874386 /nfs/dbraw/zinc/87/43/86/543874386.db2.gz XBHJXZLNJMOEQA-NSHDSACASA-N -1 1 356.425 2.285 20 5 FEBDMM O=C(NCc1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000151566836 544557433 /nfs/dbraw/zinc/55/74/33/544557433.db2.gz YFTMOFHQAHMNBW-UHFFFAOYSA-N -1 1 368.143 2.094 20 5 FEBDMM O=C(NCCNc1nc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193407781 328373600 /nfs/dbraw/zinc/37/36/00/328373600.db2.gz CTRGYQFXXJMXLA-UHFFFAOYSA-N -1 1 359.367 2.147 20 5 FEBDMM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193826630 328397459 /nfs/dbraw/zinc/39/74/59/328397459.db2.gz IBHCLOAEYQGDGJ-GXTWGEPZSA-N -1 1 365.292 2.234 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000030693443 324461509 /nfs/dbraw/zinc/46/15/09/324461509.db2.gz RDFBPZZGCXGVOM-LLVKDONJSA-N -1 1 368.349 2.444 20 5 FEBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000098105452 325466926 /nfs/dbraw/zinc/46/69/26/325466926.db2.gz PFJTXZKPDHPCST-UHFFFAOYSA-N -1 1 350.385 2.469 20 5 FEBDMM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000159417552 326930918 /nfs/dbraw/zinc/93/09/18/326930918.db2.gz VIELZLSYJKJNFT-LLVKDONJSA-N -1 1 362.411 2.276 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175249069 327382226 /nfs/dbraw/zinc/38/22/26/327382226.db2.gz JGOJNYUWFFNPME-UHFFFAOYSA-N -1 1 373.340 2.038 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000264138465 328994458 /nfs/dbraw/zinc/99/44/58/328994458.db2.gz UITIKXXKRZRTBK-AWEZNQCLSA-N -1 1 366.395 2.269 20 5 FEBDMM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000267988075 329374450 /nfs/dbraw/zinc/37/44/50/329374450.db2.gz QDMNQVVUDZOVNA-UHFFFAOYSA-N -1 1 358.354 2.084 20 5 FEBDMM COCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000275234659 330024695 /nfs/dbraw/zinc/02/46/95/330024695.db2.gz QQHIRVIIVJYWKB-UHFFFAOYSA-N -1 1 358.354 2.101 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000276278793 330136473 /nfs/dbraw/zinc/13/64/73/330136473.db2.gz XHPCJJZNNYEFNT-UHFFFAOYSA-N -1 1 370.305 2.002 20 5 FEBDMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158733642 545890701 /nfs/dbraw/zinc/89/07/01/545890701.db2.gz RYKXICQCAKKEQO-QMMMGPOBSA-N -1 1 357.363 2.421 20 5 FEBDMM CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000478706298 561173335 /nfs/dbraw/zinc/17/33/35/561173335.db2.gz ULFIGPRNCZBFQR-SECBINFHSA-N -1 1 352.372 2.405 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000176420906 546443445 /nfs/dbraw/zinc/44/34/45/546443445.db2.gz LBPYEGYZPHFHFN-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1C ZINC000176423825 546444557 /nfs/dbraw/zinc/44/45/57/546444557.db2.gz KYSDGPRXYNYPRU-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM O=C(NCCNc1ncc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186940467 548225150 /nfs/dbraw/zinc/22/51/50/548225150.db2.gz YNVXIVPUSFCPBR-UHFFFAOYSA-N -1 1 372.168 2.239 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)CCc1ccccc1 ZINC000273093658 550484912 /nfs/dbraw/zinc/48/49/12/550484912.db2.gz NDUUJUDLJACKCY-ZDUSSCGKSA-N -1 1 368.386 2.006 20 5 FEBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290491259 552487525 /nfs/dbraw/zinc/48/75/25/552487525.db2.gz XMOHPRXKFWJFPK-LBPRGKRZSA-N -1 1 373.331 2.054 20 5 FEBDMM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294151021 552885863 /nfs/dbraw/zinc/88/58/63/552885863.db2.gz QBDMIKKXTGTOLO-LLVKDONJSA-N -1 1 360.345 2.185 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC2)c1Cl ZINC000295325580 552987392 /nfs/dbraw/zinc/98/73/92/552987392.db2.gz GZAVCDNNEXPQKB-ZETCQYMHSA-N -1 1 355.199 2.216 20 5 FEBDMM O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)N1CCCC1 ZINC000298966490 553496535 /nfs/dbraw/zinc/49/65/35/553496535.db2.gz NALUNTPOFOLKKU-UHFFFAOYSA-N -1 1 358.354 2.176 20 5 FEBDMM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000505590204 561674722 /nfs/dbraw/zinc/67/47/22/561674722.db2.gz LGFBDEOJLOBIFW-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319774332 553764443 /nfs/dbraw/zinc/76/44/43/553764443.db2.gz FZKXSLWNJWOBIA-SNVBAGLBSA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000326022262 553778892 /nfs/dbraw/zinc/77/88/92/553778892.db2.gz PXVHNJYZCWFMRV-UHFFFAOYSA-N -1 1 353.356 2.049 20 5 FEBDMM CCn1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000326461416 553781168 /nfs/dbraw/zinc/78/11/68/553781168.db2.gz BFCMMGHTFJBABU-UHFFFAOYSA-N -1 1 357.319 2.054 20 5 FEBDMM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326570196 553781776 /nfs/dbraw/zinc/78/17/76/553781776.db2.gz WAAGUZDEUKSBNA-VHSXEESVSA-N -1 1 362.379 2.292 20 5 FEBDMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505754533 561679429 /nfs/dbraw/zinc/67/94/29/561679429.db2.gz JZSWZLXAPUPBLU-UHFFFAOYSA-N -1 1 351.322 2.244 20 5 FEBDMM COc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000507069854 561716294 /nfs/dbraw/zinc/71/62/94/561716294.db2.gz LYNJRONMUULSMY-UHFFFAOYSA-N -1 1 370.321 2.108 20 5 FEBDMM CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000507307937 561724452 /nfs/dbraw/zinc/72/44/52/561724452.db2.gz ZUGMVFQDMQGZCN-UHFFFAOYSA-N -1 1 361.354 2.423 20 5 FEBDMM Cc1cccnc1C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000366104732 555752951 /nfs/dbraw/zinc/75/29/51/555752951.db2.gz HKRMBIFXXONKGW-UHFFFAOYSA-N -1 1 365.386 2.447 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c(Cl)cc1Cl ZINC000368134607 556227280 /nfs/dbraw/zinc/22/72/80/556227280.db2.gz MPZVJWJDUYUWEL-WHUPJOBBSA-N -1 1 367.210 2.072 20 5 FEBDMM Cc1ccccc1C1(O)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000374123957 557827766 /nfs/dbraw/zinc/82/77/66/557827766.db2.gz WHCOPUWRNUYMAN-UHFFFAOYSA-N -1 1 357.366 2.128 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000374141919 557830733 /nfs/dbraw/zinc/83/07/33/557830733.db2.gz GLURGOAVKRWCDT-FZQKWOKYSA-N -1 1 358.391 2.216 20 5 FEBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432258753 559854892 /nfs/dbraw/zinc/85/48/92/559854892.db2.gz OQLPXQRRDBWORK-HNNXBMFYSA-N -1 1 366.399 2.198 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990686 559958761 /nfs/dbraw/zinc/95/87/61/559958761.db2.gz PIODBIVFZLGAPE-AWEZNQCLSA-N -1 1 353.338 2.132 20 5 FEBDMM CSc1nsc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000440071030 560004181 /nfs/dbraw/zinc/00/41/81/560004181.db2.gz LTRMMWVQIJMORG-UHFFFAOYSA-N -1 1 363.384 2.001 20 5 FEBDMM O=C(N=c1nc(-c2cccc([N+](=O)[O-])c2)[nH][n-]1)c1ccc2c(n1)CCCC2 ZINC000442566721 560052880 /nfs/dbraw/zinc/05/28/80/560052880.db2.gz DHXGKVWFNKSKAP-UHFFFAOYSA-N -1 1 364.365 2.906 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000451814625 560330324 /nfs/dbraw/zinc/33/03/24/560330324.db2.gz KRSRGRGBAPZSMK-UHFFFAOYSA-N -1 1 366.798 2.293 20 5 FEBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000451827956 560331183 /nfs/dbraw/zinc/33/11/83/560331183.db2.gz RGDDEGNJUJSTCL-AWEZNQCLSA-N -1 1 356.425 2.496 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451865779 560333393 /nfs/dbraw/zinc/33/33/93/560333393.db2.gz YACALESUUJOALF-FZMZJTMJSA-N -1 1 374.846 2.324 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461611474 560776482 /nfs/dbraw/zinc/77/64/82/560776482.db2.gz STZGUCASMLGOHR-UHFFFAOYSA-N -1 1 356.338 2.052 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000469184650 560949274 /nfs/dbraw/zinc/94/92/74/560949274.db2.gz KSSXLZNJZQFURD-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000469205411 560949789 /nfs/dbraw/zinc/94/97/89/560949789.db2.gz NNPUIOCTBCMDDN-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1C ZINC000531444375 562446377 /nfs/dbraw/zinc/44/63/77/562446377.db2.gz CFWXFMYOGHMQSM-ZDUSSCGKSA-N -1 1 365.411 2.434 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000532853568 562490584 /nfs/dbraw/zinc/49/05/84/562490584.db2.gz IRQBNQOFACCDNV-UHFFFAOYSA-N -1 1 350.809 2.005 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000533174322 562500288 /nfs/dbraw/zinc/50/02/88/562500288.db2.gz ZTPSZVFHMOLBLC-GFCCVEGCSA-N -1 1 352.416 2.283 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])n1 ZINC000533179085 562500481 /nfs/dbraw/zinc/50/04/81/562500481.db2.gz UPNCKKCAWTWKTA-ONGXEEELSA-N -1 1 354.388 2.006 20 5 FEBDMM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000549732154 562638719 /nfs/dbraw/zinc/63/87/19/562638719.db2.gz DGKCMELGFZVIQT-JTQLQIEISA-N -1 1 357.326 2.185 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(-n3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374714 599529337 /nfs/dbraw/zinc/52/93/37/599529337.db2.gz SHSMELYKTZYBTL-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374714 599529338 /nfs/dbraw/zinc/52/93/38/599529338.db2.gz SHSMELYKTZYBTL-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)s1 ZINC000558094424 674483013 /nfs/dbraw/zinc/48/30/13/674483013.db2.gz AZOPWGJYBFFLOQ-SNVBAGLBSA-N -1 1 358.372 2.077 20 5 FEBDMM CN(C)C(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000825846376 607449858 /nfs/dbraw/zinc/44/98/58/607449858.db2.gz ZDFDSSUHPVLJJA-UHFFFAOYSA-N -1 1 367.369 2.089 20 5 FEBDMM CN(C)C(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000825846376 607449861 /nfs/dbraw/zinc/44/98/61/607449861.db2.gz ZDFDSSUHPVLJJA-UHFFFAOYSA-N -1 1 367.369 2.089 20 5 FEBDMM CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739345512 602515160 /nfs/dbraw/zinc/51/51/60/602515160.db2.gz MPONFQQYLNOPSG-LLVKDONJSA-N -1 1 361.358 2.076 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccncc2)cc1Cl ZINC000809826975 674513700 /nfs/dbraw/zinc/51/37/00/674513700.db2.gz XQAGMLCGYLTXOL-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826467182 607596788 /nfs/dbraw/zinc/59/67/88/607596788.db2.gz KJZUYWKKRCTOAV-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826467182 607596789 /nfs/dbraw/zinc/59/67/89/607596789.db2.gz KJZUYWKKRCTOAV-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809844787 674516078 /nfs/dbraw/zinc/51/60/78/674516078.db2.gz WFKFGZPCWZWJGY-IMTBSYHQSA-N -1 1 354.812 2.417 20 5 FEBDMM CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C(=O)[O-])CC1 ZINC000828416480 603991297 /nfs/dbraw/zinc/99/12/97/603991297.db2.gz JHVSCBXDPFONRG-UHFFFAOYSA-N -1 1 361.358 2.219 20 5 FEBDMM COc1ccc(OCCN2CCC(N(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829501025 604054485 /nfs/dbraw/zinc/05/44/85/604054485.db2.gz TWYBJNMPTWBRPI-UHFFFAOYSA-N -1 1 353.375 2.056 20 5 FEBDMM O=C([O-])c1cc(C(=O)N2CCN(C3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000833296308 604285297 /nfs/dbraw/zinc/28/52/97/604285297.db2.gz QWRNOIWMMOVYMV-UHFFFAOYSA-N -1 1 361.398 2.384 20 5 FEBDMM C[C@H](C[C@H](O)c1cccs1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824394140 607732924 /nfs/dbraw/zinc/73/29/24/607732924.db2.gz VZPWLVFCLRWKSA-SCZZXKLOSA-N -1 1 361.387 2.156 20 5 FEBDMM C[C@H](C[C@H](O)c1cccs1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824394140 607732926 /nfs/dbraw/zinc/73/29/26/607732926.db2.gz VZPWLVFCLRWKSA-SCZZXKLOSA-N -1 1 361.387 2.156 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1[N+](=O)[O-] ZINC000824453598 605374104 /nfs/dbraw/zinc/37/41/04/605374104.db2.gz PXAGIRIEZFJSJE-ZJUUUORDSA-N -1 1 353.379 2.092 20 5 FEBDMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000834288158 605780289 /nfs/dbraw/zinc/78/02/89/605780289.db2.gz UNKWXFIIJIRJSY-XHDPSFHLSA-N -1 1 363.370 2.295 20 5 FEBDMM O=C([O-])N(CC1CC1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834062410 606030228 /nfs/dbraw/zinc/03/02/28/606030228.db2.gz ISUAMBOTXWCXSJ-KRWDZBQOSA-N -1 1 363.414 2.483 20 5 FEBDMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000810114843 674532991 /nfs/dbraw/zinc/53/29/91/674532991.db2.gz LWOVBFWOYBFXSA-GFCCVEGCSA-N -1 1 366.370 2.324 20 5 FEBDMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820921555 606588597 /nfs/dbraw/zinc/58/85/97/606588597.db2.gz ZJHDHNXPVAHHCF-CYBMUJFWSA-N -1 1 353.342 2.051 20 5 FEBDMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820921555 606588598 /nfs/dbraw/zinc/58/85/98/606588598.db2.gz ZJHDHNXPVAHHCF-CYBMUJFWSA-N -1 1 353.342 2.051 20 5 FEBDMM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1OC ZINC000821790813 606644430 /nfs/dbraw/zinc/64/44/30/606644430.db2.gz VHDKDXWICJUPCD-UHFFFAOYSA-N -1 1 370.369 2.447 20 5 FEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822982165 606697346 /nfs/dbraw/zinc/69/73/46/606697346.db2.gz ACYLAHMDYFARNP-UHFFFAOYSA-N -1 1 354.326 2.052 20 5 FEBDMM COc1cccc(O[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821872432 606713963 /nfs/dbraw/zinc/71/39/63/606713963.db2.gz MMCJKELEOBSUHA-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM COc1cccc(O[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821872432 606713964 /nfs/dbraw/zinc/71/39/64/606713964.db2.gz MMCJKELEOBSUHA-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM CCOc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821395569 606719750 /nfs/dbraw/zinc/71/97/50/606719750.db2.gz ZIPLOBKOJJGJTF-UHFFFAOYSA-N -1 1 355.358 2.489 20 5 FEBDMM CCOc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821395569 606719751 /nfs/dbraw/zinc/71/97/51/606719751.db2.gz ZIPLOBKOJJGJTF-UHFFFAOYSA-N -1 1 355.358 2.489 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC(F)F)cc1 ZINC000823625550 607163397 /nfs/dbraw/zinc/16/33/97/607163397.db2.gz YFXDBKOETJLUBN-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OC(F)F)cc1 ZINC000823625550 607163398 /nfs/dbraw/zinc/16/33/98/607163398.db2.gz YFXDBKOETJLUBN-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1[N+](=O)[O-] ZINC000826291474 608101251 /nfs/dbraw/zinc/10/12/51/608101251.db2.gz IGQZNIOOPSYSFS-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020062 674898615 /nfs/dbraw/zinc/89/86/15/674898615.db2.gz YDYJGNIKRSTOMW-UHFFFAOYSA-N -1 1 354.787 2.074 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000815026276 674901271 /nfs/dbraw/zinc/90/12/71/674901271.db2.gz PJAHAXQSQSSUNS-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM CC[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815038011 674905018 /nfs/dbraw/zinc/90/50/18/674905018.db2.gz CDZRSUPMPULKBG-GFCCVEGCSA-N -1 1 352.771 2.235 20 5 FEBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000101568702 670768226 /nfs/dbraw/zinc/76/82/26/670768226.db2.gz ARQYBWBKJVMUDQ-LBPRGKRZSA-N -1 1 373.818 2.422 20 5 FEBDMM O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000138091894 672143312 /nfs/dbraw/zinc/14/33/12/672143312.db2.gz SEAHESMNEGTOIV-LBPRGKRZSA-N -1 1 359.363 2.374 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155873591 672239390 /nfs/dbraw/zinc/23/93/90/672239390.db2.gz ILEWUYLFABFJLG-GDLCADMTSA-N -1 1 372.830 2.484 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000161992053 672300995 /nfs/dbraw/zinc/30/09/95/672300995.db2.gz MZUSIWIRYZCKHM-CYBMUJFWSA-N -1 1 360.407 2.344 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000611105261 676017442 /nfs/dbraw/zinc/01/74/42/676017442.db2.gz LEILYGZYOLZJNP-MRVPVSSYSA-N -1 1 360.342 2.129 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)c([N+](=O)[O-])n1 ZINC000592073703 672747949 /nfs/dbraw/zinc/74/79/49/672747949.db2.gz NSVNTOWXQWBONT-UHFFFAOYSA-N -1 1 368.390 2.308 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000592350306 672789785 /nfs/dbraw/zinc/78/97/85/672789785.db2.gz JREQXQYKSCPYGW-OAHLLOKOSA-N -1 1 358.416 2.087 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000592350597 672790113 /nfs/dbraw/zinc/79/01/13/672790113.db2.gz XDDHBAFDMHRZPM-HNNXBMFYSA-N -1 1 358.416 2.087 20 5 FEBDMM COCc1ccnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000593289441 672904704 /nfs/dbraw/zinc/90/47/04/672904704.db2.gz WKYDVMSWDKCKAR-UHFFFAOYSA-N -1 1 351.384 2.121 20 5 FEBDMM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594848384 673161675 /nfs/dbraw/zinc/16/16/75/673161675.db2.gz IAOAYYDQXWWLSF-SKDRFNHKSA-N -1 1 374.390 2.292 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])n1 ZINC000594869527 673172327 /nfs/dbraw/zinc/17/23/27/673172327.db2.gz CXVUBASPTKFVSP-UHFFFAOYSA-N -1 1 364.374 2.058 20 5 FEBDMM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000462984957 673291949 /nfs/dbraw/zinc/29/19/49/673291949.db2.gz DCXGSEYJXJSRSL-SNVBAGLBSA-N -1 1 351.265 2.227 20 5 FEBDMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599228361 673644570 /nfs/dbraw/zinc/64/45/70/673644570.db2.gz BCKTXHUGNOUOLW-GFCCVEGCSA-N -1 1 368.415 2.157 20 5 FEBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000599245721 673647840 /nfs/dbraw/zinc/64/78/40/673647840.db2.gz UMLFKGWPKBNCNR-AWEZNQCLSA-N -1 1 352.416 2.312 20 5 FEBDMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742302666 673720591 /nfs/dbraw/zinc/72/05/91/673720591.db2.gz NLRBIGRQHPMICB-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548211882 673935394 /nfs/dbraw/zinc/93/53/94/673935394.db2.gz HSWABKFVEPARLG-YFKPBYRVSA-N -1 1 357.171 2.043 20 5 FEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000820402525 675360616 /nfs/dbraw/zinc/36/06/16/675360616.db2.gz LIDFTRTXPRXPRC-UHFFFAOYSA-N -1 1 359.111 2.486 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CCCCO1 ZINC000820720806 675381956 /nfs/dbraw/zinc/38/19/56/675381956.db2.gz SBDXATNEFDMTRD-CYBMUJFWSA-N -1 1 364.807 2.070 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000617198812 676274681 /nfs/dbraw/zinc/27/46/81/676274681.db2.gz KMJHCTKQHLUZMU-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)C1C(=O)OCC(C)C ZINC000748208870 679941763 /nfs/dbraw/zinc/94/17/63/679941763.db2.gz RFWCUTZEUVSBLR-CQSZACIVSA-N -1 1 365.411 2.292 20 5 FEBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000831762270 680039561 /nfs/dbraw/zinc/03/95/61/680039561.db2.gz CURYAQNPPPTYTA-MRVPVSSYSA-N -1 1 354.787 2.481 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])n1 ZINC000832364197 680127137 /nfs/dbraw/zinc/12/71/37/680127137.db2.gz DWPTXVBYTHEHEM-JTQLQIEISA-N -1 1 371.246 2.064 20 5 FEBDMM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751248716 680162891 /nfs/dbraw/zinc/16/28/91/680162891.db2.gz JYDBHPTXIRJWJJ-SNVBAGLBSA-N -1 1 354.359 2.349 20 5 FEBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469235 680179986 /nfs/dbraw/zinc/17/99/86/680179986.db2.gz WAWOKSQTQOYRMS-KOLCDFICSA-N -1 1 350.824 2.324 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000833508756 680194924 /nfs/dbraw/zinc/19/49/24/680194924.db2.gz XIPSSHXAKBBAEA-SNVBAGLBSA-N -1 1 352.391 2.404 20 5 FEBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000755986084 680450881 /nfs/dbraw/zinc/45/08/81/680450881.db2.gz WTBJVPDMXIKTQM-JQWIXIFHSA-N -1 1 373.431 2.025 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)co1 ZINC000756559144 680485343 /nfs/dbraw/zinc/48/53/43/680485343.db2.gz VOCIGFWRQCOXRH-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000758173285 680559557 /nfs/dbraw/zinc/55/95/57/680559557.db2.gz FGQZKDCIXNBQSF-NSHDSACASA-N -1 1 368.798 2.400 20 5 FEBDMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837687276 680634903 /nfs/dbraw/zinc/63/49/03/680634903.db2.gz REHDWNSTFXXOKR-NSHDSACASA-N -1 1 364.276 2.047 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000841573968 680901187 /nfs/dbraw/zinc/90/11/87/680901187.db2.gz QONRTFJFCTXKFT-IUCAKERBSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773498830 681144694 /nfs/dbraw/zinc/14/46/94/681144694.db2.gz RWYSDEUFZDEBBL-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000846011535 681173225 /nfs/dbraw/zinc/17/32/25/681173225.db2.gz ZULNYHHETLRJBA-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1SCCS1 ZINC000851832167 682152799 /nfs/dbraw/zinc/15/27/99/682152799.db2.gz GKVFNJGESUEPKJ-UHFFFAOYSA-N -1 1 354.862 2.333 20 5 FEBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cn2c1 ZINC000918194497 685537894 /nfs/dbraw/zinc/53/78/94/685537894.db2.gz GGRJGGUZBVCDMR-UHFFFAOYSA-N -1 1 364.358 2.169 20 5 FEBDMM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000792782625 682840359 /nfs/dbraw/zinc/84/03/59/682840359.db2.gz IAIIYWSITZENQY-JGVFFNPUSA-N -1 1 359.433 2.327 20 5 FEBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000792782625 682840360 /nfs/dbraw/zinc/84/03/60/682840360.db2.gz IAIIYWSITZENQY-JGVFFNPUSA-N -1 1 359.433 2.327 20 5 FEBDMM CON(C)C(=O)[C@@H](C)[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000858841898 683006498 /nfs/dbraw/zinc/00/64/98/683006498.db2.gz KLLSDRHGEQJUCM-ZCFIWIBFSA-N -1 1 366.252 2.342 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859340824 683087641 /nfs/dbraw/zinc/08/76/41/683087641.db2.gz IVQLUKZBUOSVCX-LJYOZPSBSA-N -1 1 366.798 2.478 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2cccnc2)cc1Cl ZINC000798224294 683323648 /nfs/dbraw/zinc/32/36/48/683323648.db2.gz CQRVSLCDYRUKNT-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226804 683324554 /nfs/dbraw/zinc/32/45/54/683324554.db2.gz GPXAKRJJXXIRSM-LLVKDONJSA-N -1 1 354.787 2.073 20 5 FEBDMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228911 683325323 /nfs/dbraw/zinc/32/53/23/683325323.db2.gz RRCGMMXVZYSNSF-QMMMGPOBSA-N -1 1 354.787 2.073 20 5 FEBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000006820288 539438951 /nfs/dbraw/zinc/43/89/51/539438951.db2.gz UVFVTZNNJQZYIN-UHFFFAOYSA-N -1 1 366.351 2.191 20 5 FEBDMM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026849918 539794565 /nfs/dbraw/zinc/79/45/65/539794565.db2.gz DXQYDDALKYIMSN-LLVKDONJSA-N -1 1 370.818 2.338 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000028258879 539828886 /nfs/dbraw/zinc/82/88/86/539828886.db2.gz JVSLHIXHWGSVOB-UHFFFAOYSA-N -1 1 369.786 2.456 20 5 FEBDMM CN(C)c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000028757085 539836581 /nfs/dbraw/zinc/83/65/81/539836581.db2.gz RWPQBPBAQHDUMO-JTQLQIEISA-N -1 1 356.791 2.136 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000029433713 539852635 /nfs/dbraw/zinc/85/26/35/539852635.db2.gz APCZVKIEXPHDOY-UHFFFAOYSA-N -1 1 351.384 2.108 20 5 FEBDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928383 674090618 /nfs/dbraw/zinc/09/06/18/674090618.db2.gz MQPMOJOYTVPHGR-UHFFFAOYSA-N -1 1 356.379 2.393 20 5 FEBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000042005150 540045324 /nfs/dbraw/zinc/04/53/24/540045324.db2.gz OXRFKWWXHBULFC-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM C[C@@H](CO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000053584162 540544535 /nfs/dbraw/zinc/54/45/35/540544535.db2.gz GALJYNYZVAMOEU-GFCCVEGCSA-N -1 1 365.411 2.436 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)c1ccccc1 ZINC000063186285 541158885 /nfs/dbraw/zinc/15/88/85/541158885.db2.gz YVWYZRUUDNMXTB-NSHDSACASA-N -1 1 355.441 2.460 20 5 FEBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000068940116 541643117 /nfs/dbraw/zinc/64/31/17/541643117.db2.gz HHRQXECEXKBIHP-UHFFFAOYSA-N -1 1 358.322 2.230 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)c1 ZINC000070880971 541748707 /nfs/dbraw/zinc/74/87/07/541748707.db2.gz KNFFQAVDONVOTC-INIZCTEOSA-N -1 1 359.382 2.342 20 5 FEBDMM O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000107355355 543267739 /nfs/dbraw/zinc/26/77/39/543267739.db2.gz MXSNDSXIXATZGW-UHFFFAOYSA-N -1 1 371.397 2.401 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000121812319 543699728 /nfs/dbraw/zinc/69/97/28/543699728.db2.gz SLLDTUYSJRQGNX-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000125252330 543870355 /nfs/dbraw/zinc/87/03/55/543870355.db2.gz CGIILIXJOXBHOX-LLVKDONJSA-N -1 1 360.388 2.116 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000151589754 544560090 /nfs/dbraw/zinc/56/00/90/544560090.db2.gz DYUPUZCIRBRINN-UHFFFAOYSA-N -1 1 359.367 2.489 20 5 FEBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000193625621 328386252 /nfs/dbraw/zinc/38/62/52/328386252.db2.gz VYMFNXNGKLTFRV-BONVTDFDSA-N -1 1 361.329 2.437 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129166396 326535702 /nfs/dbraw/zinc/53/57/02/326535702.db2.gz ODXBEUXBSKHALQ-IRUJWGPZSA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000162638989 327030577 /nfs/dbraw/zinc/03/05/77/327030577.db2.gz JIKATVLTWXTWRE-WCQYABFASA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000162669338 327031384 /nfs/dbraw/zinc/03/13/84/327031384.db2.gz HJZKCAZOAHGOLI-ZWNOBZJWSA-N -1 1 360.819 2.484 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167266489 327084253 /nfs/dbraw/zinc/08/42/53/327084253.db2.gz DBHHCJHFCAXATI-VQISRLSMSA-N -1 1 370.402 2.360 20 5 FEBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1-c1nnnn1C1CC1 ZINC000273244383 329848441 /nfs/dbraw/zinc/84/84/41/329848441.db2.gz XSRHBHQVBZIQKK-UHFFFAOYSA-N -1 1 353.342 2.472 20 5 FEBDMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000273600619 329878439 /nfs/dbraw/zinc/87/84/39/329878439.db2.gz YDOVFWDHTUWIHD-SWLSCSKDSA-N -1 1 361.329 2.485 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000477801591 561153481 /nfs/dbraw/zinc/15/34/81/561153481.db2.gz HHQJZYAFVFSFTL-ZETCQYMHSA-N -1 1 367.159 2.344 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(Cc2ccccc2)no1 ZINC000176220255 546421039 /nfs/dbraw/zinc/42/10/39/546421039.db2.gz HLMPICQKZNGXMU-SNVBAGLBSA-N -1 1 369.337 2.160 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474041 546960549 /nfs/dbraw/zinc/96/05/49/546960549.db2.gz 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FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000277826685 550718638 /nfs/dbraw/zinc/71/86/38/550718638.db2.gz QWKXSRYSMFZGDT-INIZCTEOSA-N -1 1 357.366 2.281 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)n[nH]1 ZINC000280222410 550972772 /nfs/dbraw/zinc/97/27/72/550972772.db2.gz GMULSOCYVNSYJI-LLVKDONJSA-N -1 1 366.399 2.321 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1 ZINC000280400893 550989615 /nfs/dbraw/zinc/98/96/15/550989615.db2.gz XRHBUCFECHCIAI-JTQLQIEISA-N -1 1 352.372 2.013 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(Cl)cc1Cl ZINC000289811839 552382038 /nfs/dbraw/zinc/38/20/38/552382038.db2.gz KCEBFVFQSIDYSX-SSDOTTSWSA-N -1 1 355.199 2.359 20 5 FEBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290636227 552510923 /nfs/dbraw/zinc/51/09/23/552510923.db2.gz DDAOCYSDRXQDOU-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000292100162 552693791 /nfs/dbraw/zinc/69/37/91/552693791.db2.gz UIQRYAFMJQRISU-UHFFFAOYSA-N -1 1 362.820 2.195 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCCCO)c1Cl ZINC000296260231 553131142 /nfs/dbraw/zinc/13/11/42/553131142.db2.gz OCYKKTXWOFSQSY-UHFFFAOYSA-N -1 1 357.215 2.343 20 5 FEBDMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296953402 553234413 /nfs/dbraw/zinc/23/44/13/553234413.db2.gz NFYDPYSTXRUXDQ-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000298119853 553386666 /nfs/dbraw/zinc/38/66/66/553386666.db2.gz MSRLYYAGJDPRCR-MFKMUULPSA-N -1 1 363.395 2.485 20 5 FEBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000505131033 561666639 /nfs/dbraw/zinc/66/66/39/561666639.db2.gz UFTSJRLJCMDTDM-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@](C)(C(F)(F)F)O1 ZINC000505723184 561678409 /nfs/dbraw/zinc/67/84/09/561678409.db2.gz OADPAWDHQTZVJV-CYBMUJFWSA-N -1 1 363.292 2.267 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000330445899 554122835 /nfs/dbraw/zinc/12/28/35/554122835.db2.gz DTEGKPHZDBIZSY-UHFFFAOYSA-N -1 1 370.353 2.211 20 5 FEBDMM CSc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000509266463 561793120 /nfs/dbraw/zinc/79/31/20/561793120.db2.gz YFPIWNPYDIPCNE-UHFFFAOYSA-N -1 1 364.383 2.425 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000510446266 561834788 /nfs/dbraw/zinc/83/47/88/561834788.db2.gz HWORHXOLXZFZOA-LBPRGKRZSA-N -1 1 373.822 2.052 20 5 FEBDMM COc1ccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])cn3)[n-][nH]2)cc1OC ZINC000610773246 554560486 /nfs/dbraw/zinc/56/04/86/554560486.db2.gz SSEJMZYITMOVAV-UHFFFAOYSA-N -1 1 370.325 2.044 20 5 FEBDMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000350567472 554798468 /nfs/dbraw/zinc/79/84/68/554798468.db2.gz MYNKZBYKZHVVRQ-UHFFFAOYSA-N -1 1 355.310 2.295 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000515693046 562019465 /nfs/dbraw/zinc/01/94/65/562019465.db2.gz QCIGDYWPPYJKJK-UHFFFAOYSA-N -1 1 363.351 2.035 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000371733173 557277894 /nfs/dbraw/zinc/27/78/94/557277894.db2.gz SXHPAPNNSQLVCX-INIZCTEOSA-N -1 1 365.349 2.137 20 5 FEBDMM O=C(c1ccc(O)cc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375730003 558073699 /nfs/dbraw/zinc/07/36/99/558073699.db2.gz HSLXOSYWCHCYSG-UHFFFAOYSA-N -1 1 371.349 2.136 20 5 FEBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375730003 558073700 /nfs/dbraw/zinc/07/37/00/558073700.db2.gz HSLXOSYWCHCYSG-UHFFFAOYSA-N -1 1 371.349 2.136 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000375731417 558073877 /nfs/dbraw/zinc/07/38/77/558073877.db2.gz NNROQGKYXYTIOF-CYBMUJFWSA-N -1 1 353.338 2.132 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2noc(C(F)F)n2)CC1 ZINC000377646273 558385319 /nfs/dbraw/zinc/38/53/19/558385319.db2.gz UJKVPCBIXPVHAJ-UHFFFAOYSA-N -1 1 369.284 2.036 20 5 FEBDMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688444 562252263 /nfs/dbraw/zinc/25/22/63/562252263.db2.gz SRZDFQFVOSBGTL-UHFFFAOYSA-N -1 1 351.384 2.212 20 5 FEBDMM C[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000425286270 559694850 /nfs/dbraw/zinc/69/48/50/559694850.db2.gz AOGBHFFLHSVGPY-NXEZZACHSA-N -1 1 364.333 2.332 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1 ZINC000431176408 559835409 /nfs/dbraw/zinc/83/54/09/559835409.db2.gz CBIIUFNXOAYGRN-UHFFFAOYSA-N -1 1 368.346 2.334 20 5 FEBDMM O=C(NC1CCCC1)c1ccc(=NCCNc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000432120212 559852405 /nfs/dbraw/zinc/85/24/05/559852405.db2.gz NQAKQFRIUMWXOH-UHFFFAOYSA-N -1 1 370.413 2.581 20 5 FEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000436504504 559943573 /nfs/dbraw/zinc/94/35/73/559943573.db2.gz KWMKLPWYQKFBGB-UHFFFAOYSA-N -1 1 360.278 2.068 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000438721366 559982759 /nfs/dbraw/zinc/98/27/59/559982759.db2.gz GZLVDJZMAMBOFA-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c1 ZINC000443764656 560092036 /nfs/dbraw/zinc/09/20/36/560092036.db2.gz OBLMCVLTVIQSSP-CQSZACIVSA-N -1 1 372.349 2.026 20 5 FEBDMM CCC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[n-]n1 ZINC000444232109 560106435 /nfs/dbraw/zinc/10/64/35/560106435.db2.gz NEVVNEKZHRMOKO-MRXNPFEDSA-N -1 1 362.393 2.466 20 5 FEBDMM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000448476621 560187777 /nfs/dbraw/zinc/18/77/77/560187777.db2.gz BIEBGXPRVXYNEB-ZDUSSCGKSA-N -1 1 356.382 2.342 20 5 FEBDMM Cc1csc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000451804200 560329505 /nfs/dbraw/zinc/32/95/05/560329505.db2.gz SEXSESCOIZWMRO-UHFFFAOYSA-N -1 1 370.408 2.214 20 5 FEBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3n(n2)CCCC3)cc1OC ZINC000457144678 560553023 /nfs/dbraw/zinc/55/30/23/560553023.db2.gz JUUACLMAWMFYQF-UHFFFAOYSA-N -1 1 361.358 2.182 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000466958850 560900443 /nfs/dbraw/zinc/90/04/43/560900443.db2.gz YNPNEXMCSWYPJK-UHFFFAOYSA-N -1 1 365.396 2.346 20 5 FEBDMM CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471112133 560998424 /nfs/dbraw/zinc/99/84/24/560998424.db2.gz GYXFMXSHDRERBV-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM CC1CCN(c2ccc(C(=O)NC(C)(C)c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000474999606 561087513 /nfs/dbraw/zinc/08/75/13/561087513.db2.gz QBWDSWKULLPADW-UHFFFAOYSA-N -1 1 373.417 2.009 20 5 FEBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000531476006 562447211 /nfs/dbraw/zinc/44/72/11/562447211.db2.gz PXTCCRDOLSQAPE-UHFFFAOYSA-N -1 1 354.369 2.192 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000532605534 562483015 /nfs/dbraw/zinc/48/30/15/562483015.db2.gz RWNKZDMISPZJDO-GFCCVEGCSA-N -1 1 355.416 2.150 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000533638331 562515076 /nfs/dbraw/zinc/51/50/76/562515076.db2.gz SGIKKWFMUKUNDV-UHFFFAOYSA-N -1 1 366.443 2.376 20 5 FEBDMM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533639324 562515191 /nfs/dbraw/zinc/51/51/91/562515191.db2.gz ZIVOJDHHUMKYIC-CYBMUJFWSA-N -1 1 352.416 2.111 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000541782981 562619839 /nfs/dbraw/zinc/61/98/39/562619839.db2.gz IUYCMXUOUXACOE-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000569045355 568281195 /nfs/dbraw/zinc/28/11/95/568281195.db2.gz LKXWZMFCFNYSIE-NSHDSACASA-N -1 1 372.296 2.362 20 5 FEBDMM O=Cc1ccc([N+](=O)[O-])c(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738317371 598964013 /nfs/dbraw/zinc/96/40/13/598964013.db2.gz IPYDOQHBNVNKSK-UHFFFAOYSA-N -1 1 363.293 2.323 20 5 FEBDMM CN(CCOC(=O)c1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000736802358 599026896 /nfs/dbraw/zinc/02/68/96/599026896.db2.gz QUMWLTBYTFHDLH-UHFFFAOYSA-N -1 1 374.382 2.130 20 5 FEBDMM COc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832572696 600690398 /nfs/dbraw/zinc/69/03/98/600690398.db2.gz IQRWECLSWGPCJU-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM Cc1[nH]nc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000832847239 601092349 /nfs/dbraw/zinc/09/23/49/601092349.db2.gz FYNWJRAGJIWZFY-NEPJUHHUSA-N -1 1 350.375 2.122 20 5 FEBDMM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000548260730 601992520 /nfs/dbraw/zinc/99/25/20/601992520.db2.gz PBXLBVNXMSGPMH-ZYHUDNBSSA-N -1 1 374.390 2.436 20 5 FEBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818858 674512310 /nfs/dbraw/zinc/51/23/10/674512310.db2.gz KLOSZUIDOUCMGD-AMIZOPFISA-N -1 1 368.814 2.463 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(Cl)cc1Cl ZINC000809820850 674512723 /nfs/dbraw/zinc/51/27/23/674512723.db2.gz IRCZOMGSBCZUKM-HQJQHLMTSA-N -1 1 369.226 2.341 20 5 FEBDMM CC[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809837311 674515116 /nfs/dbraw/zinc/51/51/16/674515116.db2.gz SYPYMUMJCBPOKG-LBPRGKRZSA-N -1 1 352.771 2.235 20 5 FEBDMM O=C([O-])N1CCC2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000834092127 605863898 /nfs/dbraw/zinc/86/38/98/605863898.db2.gz QHMMSRCZCGQZNI-UHFFFAOYSA-N -1 1 359.386 2.368 20 5 FEBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1sccc1-c1nn[n-]n1 ZINC000823440339 606374383 /nfs/dbraw/zinc/37/43/83/606374383.db2.gz OAXDOHNYETWZKF-UHFFFAOYSA-N -1 1 372.322 2.335 20 5 FEBDMM COc1ccccc1[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821889384 606712169 /nfs/dbraw/zinc/71/21/69/606712169.db2.gz AFFBQBDXTMZAAL-NSHDSACASA-N -1 1 367.369 2.172 20 5 FEBDMM COc1ccccc1[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821889384 606712170 /nfs/dbraw/zinc/71/21/70/606712170.db2.gz AFFBQBDXTMZAAL-NSHDSACASA-N -1 1 367.369 2.172 20 5 FEBDMM Cc1cccc(CC2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000822299495 606720015 /nfs/dbraw/zinc/72/00/15/606720015.db2.gz KUNPXZCRAKBRFX-UHFFFAOYSA-N -1 1 351.370 2.157 20 5 FEBDMM Cc1cccc(CC2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000822299495 606720017 /nfs/dbraw/zinc/72/00/17/606720017.db2.gz KUNPXZCRAKBRFX-UHFFFAOYSA-N -1 1 351.370 2.157 20 5 FEBDMM O=C1CCCc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2N1 ZINC000826480747 608150888 /nfs/dbraw/zinc/15/08/88/608150888.db2.gz OOGUCHKGAIDDPU-UHFFFAOYSA-N -1 1 367.325 2.237 20 5 FEBDMM O=C1CCCc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2N1 ZINC000826480747 608150889 /nfs/dbraw/zinc/15/08/89/608150889.db2.gz OOGUCHKGAIDDPU-UHFFFAOYSA-N -1 1 367.325 2.237 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000814999022 674893992 /nfs/dbraw/zinc/89/39/92/674893992.db2.gz ICSWRSNRUQJKRT-QMMMGPOBSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815012096 674895739 /nfs/dbraw/zinc/89/57/39/674895739.db2.gz DAXUBBQHYHWOEM-GFCCVEGCSA-N -1 1 352.771 2.092 20 5 FEBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000815023835 674900285 /nfs/dbraw/zinc/90/02/85/674900285.db2.gz JVMHNMFOYZMBNO-NWDGAFQWSA-N -1 1 366.798 2.479 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000815025859 674900825 /nfs/dbraw/zinc/90/08/25/674900825.db2.gz MFUPROVCVZFXRP-UHFFFAOYSA-N -1 1 374.781 2.173 20 5 FEBDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031220 674902835 /nfs/dbraw/zinc/90/28/35/674902835.db2.gz OMJNUEZEKZOKBZ-UFBFGSQYSA-N -1 1 366.798 2.481 20 5 FEBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031219 674902866 /nfs/dbraw/zinc/90/28/66/674902866.db2.gz OMJNUEZEKZOKBZ-QPUJVOFHSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000815032781 674903341 /nfs/dbraw/zinc/90/33/41/674903341.db2.gz YEGZZLIFKPIULO-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM COCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815043190 674905938 /nfs/dbraw/zinc/90/59/38/674905938.db2.gz UVOCLEBZSZCXNM-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815095718 674917423 /nfs/dbraw/zinc/91/74/23/674917423.db2.gz XZPKBJSPIGOIOA-SDBXPKJASA-N -1 1 366.798 2.217 20 5 FEBDMM CSCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000069448372 670484896 /nfs/dbraw/zinc/48/48/96/670484896.db2.gz VTOJVPZLTSHUDG-UHFFFAOYSA-N -1 1 369.262 2.389 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1cccnc1 ZINC000114497867 670890957 /nfs/dbraw/zinc/89/09/57/670890957.db2.gz PZLQXIAGBGKIMR-UHFFFAOYSA-N -1 1 357.775 2.001 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1Cl)C1COC1 ZINC000578378590 671661107 /nfs/dbraw/zinc/66/11/07/671661107.db2.gz JEEHANJHOXWBBI-UHFFFAOYSA-N -1 1 363.757 2.390 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000579066535 671709775 /nfs/dbraw/zinc/70/97/75/671709775.db2.gz YZJQSYOOQXGXBT-JTQLQIEISA-N -1 1 371.802 2.389 20 5 FEBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119209185 671894682 /nfs/dbraw/zinc/89/46/82/671894682.db2.gz GTBQQQWOCXCPPM-ZANVPECISA-N -1 1 350.824 2.324 20 5 FEBDMM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265201 675962694 /nfs/dbraw/zinc/96/26/94/675962694.db2.gz IZHVGWMRKBGCEY-HOCLYGCPSA-N -1 1 363.395 2.007 20 5 FEBDMM NC(=O)c1ccc(SCC(=O)Nc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC000610339767 675967442 /nfs/dbraw/zinc/96/74/42/675967442.db2.gz LQYWRFBJMLUGPC-UHFFFAOYSA-N -1 1 365.342 2.269 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000125948451 672018483 /nfs/dbraw/zinc/01/84/83/672018483.db2.gz VKECVUJHIKKBKF-ZDUSSCGKSA-N -1 1 370.814 2.130 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127794165 672041794 /nfs/dbraw/zinc/04/17/94/672041794.db2.gz NUDGEEICIIODGL-AAEUAGOBSA-N -1 1 360.407 2.344 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129338241 672060878 /nfs/dbraw/zinc/06/08/78/672060878.db2.gz WKBGGIIIJIDARW-NQBHXWOUSA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000134491869 672123128 /nfs/dbraw/zinc/12/31/28/672123128.db2.gz OTRLZJNWPRNIHZ-ZDUSSCGKSA-N -1 1 354.359 2.054 20 5 FEBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153987825 672208373 /nfs/dbraw/zinc/20/83/73/672208373.db2.gz RUHMVBVVAVSYMZ-OAHLLOKOSA-N -1 1 372.349 2.059 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155873839 672239489 /nfs/dbraw/zinc/23/94/89/672239489.db2.gz ILEWUYLFABFJLG-HONMWMINSA-N -1 1 372.830 2.484 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2([C@@H](O)c3ccccc3)CC2)s1 ZINC000159259420 672279596 /nfs/dbraw/zinc/27/95/96/672279596.db2.gz WOTCGHYOFLGDKJ-AWEZNQCLSA-N -1 1 368.436 2.448 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906095 672492187 /nfs/dbraw/zinc/49/21/87/672492187.db2.gz LBIBYENFPHPUBZ-UHFFFAOYSA-N -1 1 350.343 2.460 20 5 FEBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000194333728 672756467 /nfs/dbraw/zinc/75/64/67/672756467.db2.gz XVHUSPIRVOLKIL-NSHDSACASA-N -1 1 373.431 2.377 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000612174212 676072154 /nfs/dbraw/zinc/07/21/54/676072154.db2.gz BFEUZAMAQHKXDS-KGLIPLIRSA-N -1 1 360.819 2.484 20 5 FEBDMM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000594862294 673169235 /nfs/dbraw/zinc/16/92/35/673169235.db2.gz ALYBLTHMAIHRSU-QWHCGFSZSA-N -1 1 369.443 2.394 20 5 FEBDMM COc1cc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595279035 673216274 /nfs/dbraw/zinc/21/62/74/673216274.db2.gz BWTNFKNJCWAYDJ-WAAGHKOSSA-N -1 1 360.313 2.500 20 5 FEBDMM COc1ccc(COCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540070803 673522420 /nfs/dbraw/zinc/52/24/20/673522420.db2.gz HYJFZTVIMVEPTQ-UHFFFAOYSA-N -1 1 372.424 2.160 20 5 FEBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000599210609 673641624 /nfs/dbraw/zinc/64/16/24/673641624.db2.gz HQOLAOPFHDJFTC-CQSZACIVSA-N -1 1 350.400 2.066 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599211452 673641976 /nfs/dbraw/zinc/64/19/76/673641976.db2.gz OJHFCFSMMCHPPN-LLVKDONJSA-N -1 1 358.807 2.411 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000599361249 673663766 /nfs/dbraw/zinc/66/37/66/673663766.db2.gz SPDFWNPNMUARDK-UHFFFAOYSA-N -1 1 356.448 2.306 20 5 FEBDMM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000742283228 673718468 /nfs/dbraw/zinc/71/84/68/673718468.db2.gz HRMHXHJNTDCFJR-GFCCVEGCSA-N -1 1 351.384 2.044 20 5 FEBDMM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000546890217 673826443 /nfs/dbraw/zinc/82/64/43/673826443.db2.gz JGHIVZJZWJEMDE-JTQLQIEISA-N -1 1 364.807 2.258 20 5 FEBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000547900134 673900454 /nfs/dbraw/zinc/90/04/54/673900454.db2.gz KSVMKPQBDFAVAI-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828070385 675796218 /nfs/dbraw/zinc/79/62/18/675796218.db2.gz GFTQZIUDVISQRB-RKDXNWHRSA-N -1 1 368.814 2.463 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000619468101 676378442 /nfs/dbraw/zinc/37/84/42/676378442.db2.gz XJRFHJCGOQGMHF-UHFFFAOYSA-N -1 1 356.331 2.036 20 5 FEBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000760616690 680695071 /nfs/dbraw/zinc/69/50/71/680695071.db2.gz MVCRHKPNRYKYPX-SNVBAGLBSA-N -1 1 364.807 2.258 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](C)O ZINC000832308402 680122100 /nfs/dbraw/zinc/12/21/00/680122100.db2.gz CNIQGQURTDMWDT-RCOVLWMOSA-N -1 1 357.215 2.339 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000751305006 680166876 /nfs/dbraw/zinc/16/68/76/680166876.db2.gz HNQVOOMHRLPJNI-GFCCVEGCSA-N -1 1 352.343 2.405 20 5 FEBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000752650830 680252730 /nfs/dbraw/zinc/25/27/30/680252730.db2.gz RZUDULVIZRAIEK-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000841560130 680897984 /nfs/dbraw/zinc/89/79/84/680897984.db2.gz KMCDBPFRJWNWAB-HLTSFMKQSA-N -1 1 366.798 2.479 20 5 FEBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768709665 680955755 /nfs/dbraw/zinc/95/57/55/680955755.db2.gz FDBKKIWNSCOVNT-ZDUSSCGKSA-N -1 1 358.745 2.281 20 5 FEBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000776562543 681406016 /nfs/dbraw/zinc/40/60/16/681406016.db2.gz YWHRCMCVMNCFNE-UHFFFAOYSA-N -1 1 367.295 2.002 20 5 FEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778242001 681588759 /nfs/dbraw/zinc/58/87/59/681588759.db2.gz DFSKTFBQPOIUGT-UHFFFAOYSA-N -1 1 351.191 2.462 20 5 FEBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000778594205 681627617 /nfs/dbraw/zinc/62/76/17/681627617.db2.gz HQWFLLQENWQHMB-UHFFFAOYSA-N -1 1 371.459 2.053 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1OC ZINC000849371520 681698425 /nfs/dbraw/zinc/69/84/25/681698425.db2.gz XTYMSVUZUSZWMM-GFCCVEGCSA-N -1 1 351.384 2.428 20 5 FEBDMM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849460814 681747296 /nfs/dbraw/zinc/74/72/96/681747296.db2.gz QCDGULDLCWUWCA-UHFFFAOYSA-N -1 1 370.818 2.338 20 5 FEBDMM Cc1ccsc1CNC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077395 681790795 /nfs/dbraw/zinc/79/07/95/681790795.db2.gz YBTFYORBRDWALQ-UHFFFAOYSA-N -1 1 350.352 2.144 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000859368403 683095388 /nfs/dbraw/zinc/09/53/88/683095388.db2.gz ZTFCOFJJTQOTHA-PELKAZGASA-N -1 1 364.782 2.233 20 5 FEBDMM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796100574 683127652 /nfs/dbraw/zinc/12/76/52/683127652.db2.gz SVWVLQXNXPCVCP-YGRLFVJLSA-N -1 1 356.425 2.365 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2COC32CCC2)cc1F ZINC000922106928 683660955 /nfs/dbraw/zinc/66/09/55/683660955.db2.gz UTHZUCGLQHOERC-ZUZCIYMTSA-N -1 1 356.375 2.032 20 5 FEBDMM Cn1ncc([N+](=O)[O-])c1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000894997744 689637783 /nfs/dbraw/zinc/63/77/83/689637783.db2.gz ZQXXUNOLJBPLCM-UHFFFAOYSA-N -1 1 351.794 2.010 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCO ZINC000008147560 539478731 /nfs/dbraw/zinc/47/87/31/539478731.db2.gz MORBXHXZSPLXQL-UHFFFAOYSA-N -1 1 351.384 2.190 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1F ZINC000800928451 674090763 /nfs/dbraw/zinc/09/07/63/674090763.db2.gz OGXBMWNCVNMZOF-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM CSc1nc(C)c(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000054758716 540606569 /nfs/dbraw/zinc/60/65/69/540606569.db2.gz GLYGTZLPBMTJGU-UHFFFAOYSA-N -1 1 374.422 2.230 20 5 FEBDMM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000066043320 541278659 /nfs/dbraw/zinc/27/86/59/541278659.db2.gz NCTNDGRFXMLUEO-UHFFFAOYSA-N -1 1 372.381 2.009 20 5 FEBDMM CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n[n-]c1=S ZINC000066640369 541352249 /nfs/dbraw/zinc/35/22/49/541352249.db2.gz FWKNACPNAJHEBP-UHFFFAOYSA-N -1 1 366.359 2.268 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000126913418 543962776 /nfs/dbraw/zinc/96/27/76/543962776.db2.gz OBJAGLWVKWMVDT-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000146520172 544439603 /nfs/dbraw/zinc/43/96/03/544439603.db2.gz YNBDNSWTBRDKCF-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM CCC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000146701069 544441485 /nfs/dbraw/zinc/44/14/85/544441485.db2.gz PARVYGKRDASQPJ-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000553239052 674247346 /nfs/dbraw/zinc/24/73/46/674247346.db2.gz WWQURMCTEBMQQQ-VIFPVBQESA-N -1 1 354.340 2.014 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000192714737 328335019 /nfs/dbraw/zinc/33/50/19/328335019.db2.gz XRPYZCGOBJCGSO-UHFFFAOYSA-N -1 1 359.367 2.035 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000193679035 328389293 /nfs/dbraw/zinc/38/92/93/328389293.db2.gz BUDNQSJJRKSOIF-JTQLQIEISA-N -1 1 369.337 2.160 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c1C ZINC000063878170 324869956 /nfs/dbraw/zinc/86/99/56/324869956.db2.gz XZKKFBRTJQTLSM-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000088780485 325301119 /nfs/dbraw/zinc/30/11/19/325301119.db2.gz MZNFJXQIVCVRBW-UHFFFAOYSA-N -1 1 353.400 2.495 20 5 FEBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1[N-]S(C)(=O)=O ZINC000106019296 325574449 /nfs/dbraw/zinc/57/44/49/325574449.db2.gz SDFJJXPFXVFVQP-UHFFFAOYSA-N -1 1 371.396 2.289 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000176422728 327454991 /nfs/dbraw/zinc/45/49/91/327454991.db2.gz KPIYRCOSFIOFBX-UHFFFAOYSA-N -1 1 350.400 2.161 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000267787091 329357928 /nfs/dbraw/zinc/35/79/28/329357928.db2.gz RBQQNIQNJBJJRF-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000271873174 329733013 /nfs/dbraw/zinc/73/30/13/329733013.db2.gz SMSJKGUEOBDVEN-NSHDSACASA-N -1 1 360.407 2.201 20 5 FEBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000478602831 561170712 /nfs/dbraw/zinc/17/07/12/561170712.db2.gz OSYWRZJYTDLPCZ-SNVBAGLBSA-N -1 1 364.431 2.486 20 5 FEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000175602549 546318947 /nfs/dbraw/zinc/31/89/47/546318947.db2.gz LOXADSDGKIBWAA-QMMMGPOBSA-N -1 1 373.300 2.376 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)s1 ZINC000481850430 561243901 /nfs/dbraw/zinc/24/39/01/561243901.db2.gz XJYZPXCHEIHEBU-MRVPVSSYSA-N -1 1 358.401 2.074 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2Br)s1 ZINC000481897419 561244935 /nfs/dbraw/zinc/24/49/35/561244935.db2.gz LDAMZVCUKUCDQA-UHFFFAOYSA-N -1 1 364.202 2.037 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000182172691 547448109 /nfs/dbraw/zinc/44/81/09/547448109.db2.gz ZDLHAZNUYXMGFJ-LLVKDONJSA-N -1 1 357.370 2.316 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000484830592 561306617 /nfs/dbraw/zinc/30/66/17/561306617.db2.gz BVYHRWJODYAAQY-DAXSKMNVSA-N -1 1 368.393 2.167 20 5 FEBDMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000485045427 561311196 /nfs/dbraw/zinc/31/11/96/561311196.db2.gz XSTJPBDOWRXFBX-SNVBAGLBSA-N -1 1 362.379 2.292 20 5 FEBDMM CC(C)(O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000186470296 548139191 /nfs/dbraw/zinc/13/91/91/548139191.db2.gz IQAFKKYDGTYYIB-UHFFFAOYSA-N -1 1 368.386 2.440 20 5 FEBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000195491900 548649264 /nfs/dbraw/zinc/64/92/64/548649264.db2.gz JJKKJLTXHDGREU-UHFFFAOYSA-N -1 1 369.381 2.209 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245521739 548938821 /nfs/dbraw/zinc/93/88/21/548938821.db2.gz CFLKVEVFBXTQLH-OWYVNGRQSA-N -1 1 372.830 2.484 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000247626661 549366449 /nfs/dbraw/zinc/36/64/49/549366449.db2.gz SFLNLIWLYZFEDF-XJKSGUPXSA-N -1 1 370.409 2.336 20 5 FEBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000271873171 550407818 /nfs/dbraw/zinc/40/78/18/550407818.db2.gz SMSJKGUEOBDVEN-LLVKDONJSA-N -1 1 360.407 2.201 20 5 FEBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919529 550611068 /nfs/dbraw/zinc/61/10/68/550611068.db2.gz LAQYCUJXIFYFTH-RKDXNWHRSA-N -1 1 371.394 2.405 20 5 FEBDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000497960426 561512458 /nfs/dbraw/zinc/51/24/58/561512458.db2.gz TVUUWRSAURVUKV-UHFFFAOYSA-N -1 1 363.395 2.340 20 5 FEBDMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000289638728 552353804 /nfs/dbraw/zinc/35/38/04/552353804.db2.gz SJMNZSDYQHSHIE-SFYZADRCSA-N -1 1 367.221 2.059 20 5 FEBDMM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295146953 552963375 /nfs/dbraw/zinc/96/33/75/552963375.db2.gz AKYYDAWRAOBQQX-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000505590205 561674693 /nfs/dbraw/zinc/67/46/93/561674693.db2.gz LGFBDEOJLOBIFW-ZDUSSCGKSA-N -1 1 355.394 2.477 20 5 FEBDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000324853069 553774073 /nfs/dbraw/zinc/77/40/73/553774073.db2.gz YUXCTKFYPXLIQG-UHFFFAOYSA-N -1 1 350.352 2.111 20 5 FEBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000326881868 553783903 /nfs/dbraw/zinc/78/39/03/553783903.db2.gz CRMUGDDWSYDJIB-UHFFFAOYSA-N -1 1 352.324 2.102 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000506401651 561697889 /nfs/dbraw/zinc/69/78/89/561697889.db2.gz ZSENBHGXDOKEGO-CYBMUJFWSA-N -1 1 353.338 2.132 20 5 FEBDMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000510457534 561835167 /nfs/dbraw/zinc/83/51/67/561835167.db2.gz PMLWSWJMESNBHJ-UHFFFAOYSA-N -1 1 362.429 2.057 20 5 FEBDMM Cn1ccnc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000365338350 555547707 /nfs/dbraw/zinc/54/77/07/555547707.db2.gz TYOCEUBGHWBEJH-AWEZNQCLSA-N -1 1 371.328 2.087 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000365779589 555666088 /nfs/dbraw/zinc/66/60/88/555666088.db2.gz IVTKQSJXRLAXMW-ZDUSSCGKSA-N -1 1 353.338 2.132 20 5 FEBDMM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCN(Cc2ccncc2)CC1 ZINC000370374965 556854267 /nfs/dbraw/zinc/85/42/67/556854267.db2.gz QQSYZTAYPHFCGJ-UHFFFAOYSA-N -1 1 370.409 2.432 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000373106608 557630019 /nfs/dbraw/zinc/63/00/19/557630019.db2.gz KYAOMCBEFAVWSM-UHFFFAOYSA-N -1 1 360.345 2.187 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2noc(C(F)F)n2)CC1 ZINC000377663700 558390647 /nfs/dbraw/zinc/39/06/47/558390647.db2.gz AKQFGLOXLWVNFA-UHFFFAOYSA-N -1 1 369.284 2.036 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000391867000 558615123 /nfs/dbraw/zinc/61/51/23/558615123.db2.gz BMFVNKLPSOZBDV-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000416416895 559311518 /nfs/dbraw/zinc/31/15/18/559311518.db2.gz MBEONBKPQWFBEU-JTQLQIEISA-N -1 1 370.305 2.001 20 5 FEBDMM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293549 559695083 /nfs/dbraw/zinc/69/50/83/559695083.db2.gz BZTCAMYSJDFOAJ-KWCYVHTRSA-N -1 1 358.354 2.193 20 5 FEBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443327924 560080073 /nfs/dbraw/zinc/08/00/73/560080073.db2.gz OOJAYKFYESMFCL-NXEZZACHSA-N -1 1 350.824 2.324 20 5 FEBDMM CCOC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1C ZINC000445003559 560126382 /nfs/dbraw/zinc/12/63/82/560126382.db2.gz JCJKMWCQMWONBL-AWEZNQCLSA-N -1 1 373.365 2.428 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000445171077 560130241 /nfs/dbraw/zinc/13/02/41/560130241.db2.gz FJCLSORLUUFCPU-UHFFFAOYSA-N -1 1 353.338 2.261 20 5 FEBDMM CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1=O ZINC000447828666 560170343 /nfs/dbraw/zinc/17/03/43/560170343.db2.gz FAOGTLCZNWLOIO-UHFFFAOYSA-N -1 1 357.326 2.010 20 5 FEBDMM Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000464838513 560852858 /nfs/dbraw/zinc/85/28/58/560852858.db2.gz NLYOINVXSXAUBO-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])n1 ZINC000533179082 562500517 /nfs/dbraw/zinc/50/05/17/562500517.db2.gz UPNCKKCAWTWKTA-GXSJLCMTSA-N -1 1 354.388 2.006 20 5 FEBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])[nH]n1 ZINC000533407241 562507654 /nfs/dbraw/zinc/50/76/54/562507654.db2.gz VOUWSTQJYGBTLL-VIFPVBQESA-N -1 1 356.408 2.239 20 5 FEBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCC1 ZINC000533632899 562514969 /nfs/dbraw/zinc/51/49/69/562514969.db2.gz KCUSKMQSUDGHOP-CYBMUJFWSA-N -1 1 374.463 2.075 20 5 FEBDMM CSC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCOCC1 ZINC000821950539 607346838 /nfs/dbraw/zinc/34/68/38/607346838.db2.gz OLIKKBXYSLOMPL-UHFFFAOYSA-N -1 1 350.404 2.099 20 5 FEBDMM Cc1c(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000737216834 598504276 /nfs/dbraw/zinc/50/42/76/598504276.db2.gz ZKNRHBKEPKZRSY-UHFFFAOYSA-N -1 1 362.349 2.447 20 5 FEBDMM Cc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc12 ZINC000737230124 599334922 /nfs/dbraw/zinc/33/49/22/599334922.db2.gz DLDCJQSZXGBJIO-UHFFFAOYSA-N -1 1 366.293 2.377 20 5 FEBDMM Cc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc12 ZINC000737230124 599334924 /nfs/dbraw/zinc/33/49/24/599334924.db2.gz DLDCJQSZXGBJIO-UHFFFAOYSA-N -1 1 366.293 2.377 20 5 FEBDMM O=C([O-])c1cc(C(=O)Nc2cnn(-c3ccncc3)c2)cc([N+](=O)[O-])c1 ZINC000738672459 600009692 /nfs/dbraw/zinc/00/96/92/600009692.db2.gz GVLCJMJMXAYCAB-UHFFFAOYSA-N -1 1 353.294 2.126 20 5 FEBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1OC ZINC000826203740 607448757 /nfs/dbraw/zinc/44/87/57/607448757.db2.gz DKZYFUYWQGXSQE-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1OC ZINC000826203740 607448759 /nfs/dbraw/zinc/44/87/59/607448759.db2.gz DKZYFUYWQGXSQE-UHFFFAOYSA-N -1 1 356.342 2.404 20 5 FEBDMM O=C([O-])c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000547939228 600517566 /nfs/dbraw/zinc/51/75/66/600517566.db2.gz BNFMUKAIXNFVTG-UHFFFAOYSA-N -1 1 360.731 2.018 20 5 FEBDMM COc1ccc(OCCN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826211477 607450515 /nfs/dbraw/zinc/45/05/15/607450515.db2.gz GDJRDROAJHTWGU-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM COc1ccc(OCCN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826211477 607450517 /nfs/dbraw/zinc/45/05/17/607450517.db2.gz GDJRDROAJHTWGU-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000826051572 601201460 /nfs/dbraw/zinc/20/14/60/601201460.db2.gz CSLNQKCCUFATJJ-MEDUHNTESA-N -1 1 357.366 2.245 20 5 FEBDMM COc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832374030 601492177 /nfs/dbraw/zinc/49/21/77/601492177.db2.gz TWEPUAUOIHQRIL-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1(C)C ZINC000809825527 674513333 /nfs/dbraw/zinc/51/33/33/674513333.db2.gz PYNNCTYZMUEXIE-RYUDHWBXSA-N -1 1 366.798 2.479 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823436469 606650140 /nfs/dbraw/zinc/65/01/40/606650140.db2.gz WTONNECTGUPJBG-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823436469 606650141 /nfs/dbraw/zinc/65/01/41/606650141.db2.gz WTONNECTGUPJBG-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CCCc2ccccc21 ZINC000823624707 606699851 /nfs/dbraw/zinc/69/98/51/606699851.db2.gz FLXUUVQQWKZTFY-UHFFFAOYSA-N -1 1 366.385 2.035 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCN1CCCc2ccccc21 ZINC000823624707 606699852 /nfs/dbraw/zinc/69/98/52/606699852.db2.gz FLXUUVQQWKZTFY-UHFFFAOYSA-N -1 1 366.385 2.035 20 5 FEBDMM Cc1ccccc1[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000822352169 606712542 /nfs/dbraw/zinc/71/25/42/606712542.db2.gz VRRSQMDAPGUMGU-AWEZNQCLSA-N -1 1 367.369 2.056 20 5 FEBDMM Cc1ccccc1[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000822352169 606712543 /nfs/dbraw/zinc/71/25/43/606712543.db2.gz VRRSQMDAPGUMGU-AWEZNQCLSA-N -1 1 367.369 2.056 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823621216 607131785 /nfs/dbraw/zinc/13/17/85/607131785.db2.gz ZLYKKFDHLLEGDL-LLVKDONJSA-N -1 1 359.390 2.464 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823621216 607131787 /nfs/dbraw/zinc/13/17/87/607131787.db2.gz ZLYKKFDHLLEGDL-LLVKDONJSA-N -1 1 359.390 2.464 20 5 FEBDMM CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826068687 607866962 /nfs/dbraw/zinc/86/69/62/607866962.db2.gz WMQUGUARRRXYCY-UHFFFAOYSA-N -1 1 358.289 2.066 20 5 FEBDMM CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826068687 607866963 /nfs/dbraw/zinc/86/69/63/607866963.db2.gz WMQUGUARRRXYCY-UHFFFAOYSA-N -1 1 358.289 2.066 20 5 FEBDMM O=Cc1ccc([N+](=O)[O-])c(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826484049 608181891 /nfs/dbraw/zinc/18/18/91/608181891.db2.gz LOLWABVGWWDUGL-UHFFFAOYSA-N -1 1 352.719 2.490 20 5 FEBDMM CO[C@@H]1Cc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2C1 ZINC000826146827 609593242 /nfs/dbraw/zinc/59/32/42/609593242.db2.gz FIMWSOQQEFOZJD-GFCCVEGCSA-N -1 1 353.342 2.027 20 5 FEBDMM CO[C@@H]1Cc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2C1 ZINC000826146827 609593244 /nfs/dbraw/zinc/59/32/44/609593244.db2.gz FIMWSOQQEFOZJD-GFCCVEGCSA-N -1 1 353.342 2.027 20 5 FEBDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026495 674901214 /nfs/dbraw/zinc/90/12/14/674901214.db2.gz PRRXUUXLMLSECZ-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N-]C(=O)c1ccccc1 ZINC000005852401 669955280 /nfs/dbraw/zinc/95/52/80/669955280.db2.gz MPORJPLHIDQNKU-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000055590896 670352352 /nfs/dbraw/zinc/35/23/52/670352352.db2.gz HTHPCIPVCLAIBG-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CCOC(=O)c1cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(F)cc1C ZINC000574470237 671244242 /nfs/dbraw/zinc/24/42/42/671244242.db2.gz BMYIULNENDHVNA-UHFFFAOYSA-N -1 1 350.306 2.205 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000609030060 675909244 /nfs/dbraw/zinc/90/92/44/675909244.db2.gz CLWRTIOXTGFCQM-UHFFFAOYSA-N -1 1 361.173 2.429 20 5 FEBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nn3cnnc3s2)cc1SC ZINC000609135027 675911378 /nfs/dbraw/zinc/91/13/78/675911378.db2.gz AUUJYAVWROFAJH-UHFFFAOYSA-N -1 1 366.384 2.077 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000578270416 671653094 /nfs/dbraw/zinc/65/30/94/671653094.db2.gz DBIABPPJNQWMSR-UHFFFAOYSA-N -1 1 359.310 2.070 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000120853837 671937253 /nfs/dbraw/zinc/93/72/53/671937253.db2.gz IMDLSIIUFYIACU-ZDUSSCGKSA-N -1 1 356.787 2.260 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000610211914 675959558 /nfs/dbraw/zinc/95/95/58/675959558.db2.gz HZYDZKHVXDFBQQ-CYBMUJFWSA-N -1 1 351.384 2.428 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000610268877 675963926 /nfs/dbraw/zinc/96/39/26/675963926.db2.gz YZJQSYOOQXGXBT-SNVBAGLBSA-N -1 1 371.802 2.389 20 5 FEBDMM CC1CCN(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 ZINC000582381872 671996571 /nfs/dbraw/zinc/99/65/71/671996571.db2.gz JAPSIKCTLUFQMG-UHFFFAOYSA-N -1 1 365.415 2.374 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000178405390 672391309 /nfs/dbraw/zinc/39/13/09/672391309.db2.gz XUJXNNAGEAQIEF-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000591325275 672669890 /nfs/dbraw/zinc/66/98/90/672669890.db2.gz CXLDHUZWSMVALI-UHFFFAOYSA-N -1 1 364.305 2.124 20 5 FEBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592082367 672750567 /nfs/dbraw/zinc/75/05/67/672750567.db2.gz HIWWHDZBYHJGKM-ZJUUUORDSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594744486 673127074 /nfs/dbraw/zinc/12/70/74/673127074.db2.gz MDRIFEREKBCVKZ-JTQLQIEISA-N -1 1 367.383 2.047 20 5 FEBDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594743410 673127147 /nfs/dbraw/zinc/12/71/47/673127147.db2.gz UIHUJRLMXCKMCD-LLVKDONJSA-N -1 1 351.384 2.428 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC)c1 ZINC000594832512 673155872 /nfs/dbraw/zinc/15/58/72/673155872.db2.gz ZDNZZOBECYQUIO-GFCCVEGCSA-N -1 1 372.424 2.331 20 5 FEBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854180 673165238 /nfs/dbraw/zinc/16/52/38/673165238.db2.gz FHIKZJCEJLXZMT-GFCCVEGCSA-N -1 1 371.434 2.419 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000613454426 676129865 /nfs/dbraw/zinc/12/98/65/676129865.db2.gz YWXHIHYPNSGVQC-UHFFFAOYSA-N -1 1 365.396 2.346 20 5 FEBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)c1 ZINC000599465845 673679191 /nfs/dbraw/zinc/67/91/91/673679191.db2.gz TXNHWCZSWCHBLU-CQSZACIVSA-N -1 1 352.416 2.312 20 5 FEBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000544376655 673708675 /nfs/dbraw/zinc/70/86/75/673708675.db2.gz WMBVDICIMUHEOD-UHFFFAOYSA-N -1 1 365.367 2.424 20 5 FEBDMM COCc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000548524081 673965180 /nfs/dbraw/zinc/96/51/80/673965180.db2.gz FAVZUCDDULFKSR-UHFFFAOYSA-N -1 1 366.351 2.240 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000566368440 675208545 /nfs/dbraw/zinc/20/85/45/675208545.db2.gz VSYOZNVDPWWNGE-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000818566566 675225547 /nfs/dbraw/zinc/22/55/47/675225547.db2.gz HQHLSOYXWHGBEA-UHFFFAOYSA-N -1 1 366.351 2.031 20 5 FEBDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828070383 675796078 /nfs/dbraw/zinc/79/60/78/675796078.db2.gz GFTQZIUDVISQRB-DTWKUNHWSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000603424913 675799128 /nfs/dbraw/zinc/79/91/28/675799128.db2.gz UBBCILDWSNNLGH-YFKPBYRVSA-N -1 1 359.148 2.289 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCn2ccnc21 ZINC000831734033 680034937 /nfs/dbraw/zinc/03/49/37/680034937.db2.gz PSQFRZOOOCDNGA-SECBINFHSA-N -1 1 360.754 2.007 20 5 FEBDMM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000831873560 680055664 /nfs/dbraw/zinc/05/56/64/680055664.db2.gz WRSRNMVOXDCLQC-PWSUYJOCSA-N -1 1 374.390 2.134 20 5 FEBDMM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000832180883 680107116 /nfs/dbraw/zinc/10/71/16/680107116.db2.gz WEJVHOIGHFGWFW-WCQYABFASA-N -1 1 360.407 2.463 20 5 FEBDMM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000751141823 680156020 /nfs/dbraw/zinc/15/60/20/680156020.db2.gz IULAWKPMIVKHNA-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832620278 680156540 /nfs/dbraw/zinc/15/65/40/680156540.db2.gz FRXXMURAXOJDKA-UHFFFAOYSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@](CO)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000751272109 680164988 /nfs/dbraw/zinc/16/49/88/680164988.db2.gz GUFHOFJTPWYFJE-HNNXBMFYSA-N -1 1 370.814 2.434 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751488101 680182153 /nfs/dbraw/zinc/18/21/53/680182153.db2.gz QSSTUMKALHOOKM-PSLIRLAXSA-N -1 1 372.349 2.273 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc([N+](=O)[O-])c1F ZINC000768272093 680942512 /nfs/dbraw/zinc/94/25/12/680942512.db2.gz LYJDQUPMKMITSY-UHFFFAOYSA-N -1 1 370.358 2.214 20 5 FEBDMM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768843110 680961044 /nfs/dbraw/zinc/96/10/44/680961044.db2.gz QSJXFSVFYXVNLV-UHFFFAOYSA-N -1 1 355.397 2.093 20 5 FEBDMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000769046697 680968999 /nfs/dbraw/zinc/96/89/99/680968999.db2.gz KPDYGAPLHJOSGE-JRPNMDOOSA-N -1 1 350.371 2.398 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCCn1ccnc1 ZINC000775578794 681316251 /nfs/dbraw/zinc/31/62/51/681316251.db2.gz NWZSUYFXQBGKCX-UHFFFAOYSA-N -1 1 358.807 2.203 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)s1 ZINC000775729049 681329068 /nfs/dbraw/zinc/32/90/68/681329068.db2.gz OEWUIEYTGNDTNS-SNVBAGLBSA-N -1 1 362.429 2.010 20 5 FEBDMM COC1CC(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849412429 681721022 /nfs/dbraw/zinc/72/10/22/681721022.db2.gz NRHBZCXNZDSQFR-UHFFFAOYSA-N -1 1 366.798 2.481 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCCCCCSC)c([N+](=O)[O-])n1 ZINC000784375880 682221451 /nfs/dbraw/zinc/22/14/51/682221451.db2.gz VPGXMRNYYZLJNH-UHFFFAOYSA-N -1 1 350.466 2.013 20 5 FEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790640417 682690550 /nfs/dbraw/zinc/69/05/50/682690550.db2.gz UTDCLJXUJHKQAZ-UHFFFAOYSA-N -1 1 369.359 2.261 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000867735575 684366104 /nfs/dbraw/zinc/36/61/04/684366104.db2.gz HKOFVROMDUWKEZ-BXUZGUMPSA-N -1 1 358.391 2.217 20 5 FEBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CO1 ZINC000907724029 691546412 /nfs/dbraw/zinc/54/64/12/691546412.db2.gz PQCHUKAWUZFMCW-IPWFMCSPSA-N -1 1 360.819 2.484 20 5 FEBDMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031076128 539897715 /nfs/dbraw/zinc/89/77/15/539897715.db2.gz TUNMCTRBOPRTDI-UHFFFAOYSA-N -1 1 371.271 2.454 20 5 FEBDMM CCNc1ccc(C(=O)N=c2[n-]n(C)cc2C(=O)OCC)cc1[N+](=O)[O-] ZINC000542199078 541355839 /nfs/dbraw/zinc/35/58/39/541355839.db2.gz KPTOGBFGTGGLKJ-UHFFFAOYSA-N -1 1 361.358 2.189 20 5 FEBDMM CN(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000187097143 328001984 /nfs/dbraw/zinc/00/19/84/328001984.db2.gz YVTDXJQOPAEWAY-ZDUSSCGKSA-N -1 1 366.324 2.006 20 5 FEBDMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000188528370 328092789 /nfs/dbraw/zinc/09/27/89/328092789.db2.gz LSMWCRSYDUAMDG-JGVFFNPUSA-N -1 1 367.221 2.059 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000081187214 325162915 /nfs/dbraw/zinc/16/29/15/325162915.db2.gz CZCYBUGGICVQOP-MNOVXSKESA-N -1 1 356.429 2.315 20 5 FEBDMM CN1CCN(Cc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)CC1 ZINC000089541006 325320990 /nfs/dbraw/zinc/32/09/90/325320990.db2.gz WUCIEDSLSKVJBQ-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM Cc1ccc([C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000119318755 326148835 /nfs/dbraw/zinc/14/88/35/326148835.db2.gz LYGCOBNEIXZNKS-JTQLQIEISA-N -1 1 355.354 2.382 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000159554490 326935166 /nfs/dbraw/zinc/93/51/66/326935166.db2.gz NVHLXIVBKZJZRX-ZDUSSCGKSA-N -1 1 362.835 2.468 20 5 FEBDMM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173611999 327271086 /nfs/dbraw/zinc/27/10/86/327271086.db2.gz JVDCZRKTXZHDFH-NSHDSACASA-N -1 1 355.391 2.372 20 5 FEBDMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173612012 327271292 /nfs/dbraw/zinc/27/12/92/327271292.db2.gz JVDCZRKTXZHDFH-LLVKDONJSA-N -1 1 355.391 2.372 20 5 FEBDMM COC(=O)CCCc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000265727932 329154489 /nfs/dbraw/zinc/15/44/89/329154489.db2.gz QLIDYFAPEWQZDP-UHFFFAOYSA-N -1 1 356.385 2.256 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000267004354 329282157 /nfs/dbraw/zinc/28/21/57/329282157.db2.gz KXEIFGKQJOSLOG-UHFFFAOYSA-N -1 1 364.383 2.059 20 5 FEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273568842 329875298 /nfs/dbraw/zinc/87/52/98/329875298.db2.gz GFRVBNLGPVTNOD-LURJTMIESA-N -1 1 362.820 2.448 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000273585305 329876961 /nfs/dbraw/zinc/87/69/61/329876961.db2.gz IYOICZAHALJKRD-SSDOTTSWSA-N -1 1 360.392 2.242 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)s1 ZINC000554914596 674341173 /nfs/dbraw/zinc/34/11/73/674341173.db2.gz JOPHLXFTRCVBBC-IUODEOHRSA-N -1 1 368.436 2.101 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000477801590 561153597 /nfs/dbraw/zinc/15/35/97/561153597.db2.gz HHQJZYAFVFSFTL-SSDOTTSWSA-N -1 1 367.159 2.344 20 5 FEBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159942439 545993751 /nfs/dbraw/zinc/99/37/51/545993751.db2.gz YKOHVMCIAWSOBL-UHFFFAOYSA-N -1 1 354.388 2.470 20 5 FEBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480744266 561215722 /nfs/dbraw/zinc/21/57/22/561215722.db2.gz YCUNBVNQSXFRFE-SECBINFHSA-N -1 1 350.418 2.055 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)s1 ZINC000178882102 546866030 /nfs/dbraw/zinc/86/60/30/546866030.db2.gz WRTUFELCMWOYCJ-LBPRGKRZSA-N -1 1 356.425 2.101 20 5 FEBDMM O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482028013 561247562 /nfs/dbraw/zinc/24/75/62/561247562.db2.gz BTEBYZFDONPRHR-GOEBONIOSA-N -1 1 365.349 2.167 20 5 FEBDMM Cc1ccc2nc(CNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000485733906 561327030 /nfs/dbraw/zinc/32/70/30/561327030.db2.gz PXVZHEJPAJAPCH-UHFFFAOYSA-N -1 1 354.322 2.408 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000486827688 561357703 /nfs/dbraw/zinc/35/77/03/561357703.db2.gz SPVACUPARNODBG-GDGBQDQQSA-N -1 1 361.217 2.434 20 5 FEBDMM CCC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000279792588 550929256 /nfs/dbraw/zinc/92/92/56/550929256.db2.gz OOFSONJCKHNFOO-JTQLQIEISA-N -1 1 356.745 2.101 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281591749 551117358 /nfs/dbraw/zinc/11/73/58/551117358.db2.gz CMEBSIUKVIDYIO-UHFFFAOYSA-N -1 1 373.331 2.434 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000281861193 551149880 /nfs/dbraw/zinc/14/98/80/551149880.db2.gz BYADRVGWSRKJMV-CYBMUJFWSA-N -1 1 358.391 2.362 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000284947959 551674265 /nfs/dbraw/zinc/67/42/65/551674265.db2.gz BEOAVJMEZHGUBQ-UHFFFAOYSA-N -1 1 351.388 2.344 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000287835983 552052853 /nfs/dbraw/zinc/05/28/53/552052853.db2.gz KZANBIBKLBAKEW-OAGGEKHMSA-N -1 1 369.377 2.340 20 5 FEBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000499658826 561555380 /nfs/dbraw/zinc/55/53/80/561555380.db2.gz MGHLNSKMNLGHNT-UHFFFAOYSA-N -1 1 356.342 2.224 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c1Cl ZINC000289111960 552267961 /nfs/dbraw/zinc/26/79/61/552267961.db2.gz JVCJMXCITVDUPR-OIBJUYFYSA-N -1 1 369.226 2.341 20 5 FEBDMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000290368824 552467887 /nfs/dbraw/zinc/46/78/87/552467887.db2.gz NCVNNACMKGVJMV-SNVBAGLBSA-N -1 1 359.304 2.126 20 5 FEBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290639308 552511375 /nfs/dbraw/zinc/51/13/75/552511375.db2.gz DHOLMWDOAJYSLB-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2(CO)CCC2)c1Cl ZINC000295221921 552971151 /nfs/dbraw/zinc/97/11/51/552971151.db2.gz VTLSWERZPDQYIL-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000505314006 561669511 /nfs/dbraw/zinc/66/95/11/561669511.db2.gz WSPSWOSYPGIZJG-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM CC(C)(CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000326536346 553781011 /nfs/dbraw/zinc/78/10/11/553781011.db2.gz JFBJVLDNTOQJRX-UHFFFAOYSA-N -1 1 362.379 2.293 20 5 FEBDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000327305739 553787475 /nfs/dbraw/zinc/78/74/75/553787475.db2.gz SHEUQXIQNMYVCT-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1OC ZINC000516263942 562038030 /nfs/dbraw/zinc/03/80/30/562038030.db2.gz ZVKKBVNNGYWLJV-UHFFFAOYSA-N -1 1 372.424 2.195 20 5 FEBDMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000555849435 674378871 /nfs/dbraw/zinc/37/88/71/674378871.db2.gz CQDSOSUXQWFEPM-UONOGXRCSA-N -1 1 363.395 2.223 20 5 FEBDMM COC(=O)c1cc(C)nc([N-]c2cnn(C[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000376082100 558124304 /nfs/dbraw/zinc/12/43/04/558124304.db2.gz RGMIVMMWAMJRNB-GFCCVEGCSA-N -1 1 361.358 2.204 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000525688603 562252282 /nfs/dbraw/zinc/25/22/82/562252282.db2.gz FARSQKOHMNNGPS-ZFWWWQNUSA-N -1 1 363.395 2.188 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000525696660 562252515 /nfs/dbraw/zinc/25/25/15/562252515.db2.gz GTEVDYDCEXEFSE-SNVBAGLBSA-N -1 1 371.802 2.389 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 ZINC000432181804 559853496 /nfs/dbraw/zinc/85/34/96/559853496.db2.gz GIZBERFCJJQFGF-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])n1 ZINC000435810519 559930473 /nfs/dbraw/zinc/93/04/73/559930473.db2.gz SOGYLIWEYJQCPH-NSHDSACASA-N -1 1 371.444 2.006 20 5 FEBDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000436147784 559936162 /nfs/dbraw/zinc/93/61/62/559936162.db2.gz AQYNDFDDGIDDQU-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)c1 ZINC000436480556 559942634 /nfs/dbraw/zinc/94/26/34/559942634.db2.gz YSCCFWWHVRWDNN-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436991351 559958795 /nfs/dbraw/zinc/95/87/95/559958795.db2.gz SNLXMQPRRDHMAL-AWEZNQCLSA-N -1 1 353.338 2.132 20 5 FEBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2cccc(Cl)c21 ZINC000445209920 560130743 /nfs/dbraw/zinc/13/07/43/560130743.db2.gz HMTGRAIIFZPYHL-UHFFFAOYSA-N -1 1 361.745 2.166 20 5 FEBDMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000446763368 560151235 /nfs/dbraw/zinc/15/12/35/560151235.db2.gz ZOTGNQUSWXQUGO-UHFFFAOYSA-N -1 1 350.352 2.323 20 5 FEBDMM Cc1cccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1[N+](=O)[O-] ZINC000461611009 560776218 /nfs/dbraw/zinc/77/62/18/560776218.db2.gz RQQOEIYJRXQEJL-UHFFFAOYSA-N -1 1 356.338 2.052 20 5 FEBDMM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(O[C@@H]2CCOC2)c1 ZINC000468867333 560940863 /nfs/dbraw/zinc/94/08/63/560940863.db2.gz FMNWZQFOPCXHJD-CQSZACIVSA-N -1 1 373.365 2.102 20 5 FEBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1O ZINC000471120401 560998740 /nfs/dbraw/zinc/99/87/40/560998740.db2.gz JKXXGTIWKIJKMF-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000472918231 561037889 /nfs/dbraw/zinc/03/78/89/561037889.db2.gz MFACOXYEJPHVJI-UHFFFAOYSA-N -1 1 369.337 2.007 20 5 FEBDMM C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000475010330 561087550 /nfs/dbraw/zinc/08/75/50/561087550.db2.gz VYKYBEOLAFUSEQ-NSHDSACASA-N -1 1 373.417 2.009 20 5 FEBDMM O=C([O-])CN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000532005574 562463792 /nfs/dbraw/zinc/46/37/92/562463792.db2.gz QCPYPZRRHKFQFY-UHFFFAOYSA-N -1 1 354.322 2.198 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)c([N+](=O)[O-])n1 ZINC000532854861 562490765 /nfs/dbraw/zinc/49/07/65/562490765.db2.gz KSDHTFPJWZXZLM-GFCCVEGCSA-N -1 1 352.416 2.029 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)c(C)c1 ZINC000541125422 562603733 /nfs/dbraw/zinc/60/37/33/562603733.db2.gz WCPUWDMXAWVSCI-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC000808125017 674442864 /nfs/dbraw/zinc/44/28/64/674442864.db2.gz FPYTYDBQNVXGDZ-UHFFFAOYSA-N -1 1 364.335 2.075 20 5 FEBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000826051565 601201212 /nfs/dbraw/zinc/20/12/12/601201212.db2.gz CSLNQKCCUFATJJ-BDJLRTHQSA-N -1 1 357.366 2.245 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)cc1Cl ZINC000809820811 674512730 /nfs/dbraw/zinc/51/27/30/674512730.db2.gz CNOFEWAZESGAGY-BDAKNGLRSA-N -1 1 366.798 2.217 20 5 FEBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822868 674513178 /nfs/dbraw/zinc/51/31/78/674513178.db2.gz UZZXMENDZACJQR-RKDXNWHRSA-N -1 1 368.814 2.463 20 5 FEBDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826226 674513485 /nfs/dbraw/zinc/51/34/85/674513485.db2.gz WMLOZIMTTSWSLH-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM COCCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809812636 674511438 /nfs/dbraw/zinc/51/14/38/674511438.db2.gz UOMDGVRBIOOESX-UHFFFAOYSA-N -1 1 354.787 2.482 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccnn2)c(Cl)cc1Cl ZINC000809841136 674515383 /nfs/dbraw/zinc/51/53/83/674515383.db2.gz YITKXZFGNOCMAN-UHFFFAOYSA-N -1 1 363.182 2.170 20 5 FEBDMM CC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829159988 604263509 /nfs/dbraw/zinc/26/35/09/604263509.db2.gz BGZSLIADIAWILT-WDEREUQCSA-N -1 1 371.821 2.228 20 5 FEBDMM O=C([O-])NCCOc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000834244996 605780240 /nfs/dbraw/zinc/78/02/40/605780240.db2.gz LBXCIXRDLFGSDB-UHFFFAOYSA-N -1 1 361.310 2.199 20 5 FEBDMM Cc1cccc(O[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822328089 606713975 /nfs/dbraw/zinc/71/39/75/606713975.db2.gz LJRRMMWUSKSNGF-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1cccc(O[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822328089 606713976 /nfs/dbraw/zinc/71/39/76/606713976.db2.gz LJRRMMWUSKSNGF-NSHDSACASA-N -1 1 355.358 2.358 20 5 FEBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017975 674898005 /nfs/dbraw/zinc/89/80/05/674898005.db2.gz BGMQCSFKDBXQQG-MRVPVSSYSA-N -1 1 354.787 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000815037493 674904941 /nfs/dbraw/zinc/90/49/41/674904941.db2.gz MHPDHGMVEIRIAJ-KCJUWKMLSA-N -1 1 366.798 2.217 20 5 FEBDMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815049048 674907375 /nfs/dbraw/zinc/90/73/75/674907375.db2.gz WDMPPBLVTLUGSU-UHFFFAOYSA-N -1 1 354.787 2.338 20 5 FEBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000815052085 674907438 /nfs/dbraw/zinc/90/74/38/674907438.db2.gz CDBQNMFLSAOJEC-CYBMUJFWSA-N -1 1 371.440 2.089 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000609657839 675931036 /nfs/dbraw/zinc/93/10/36/675931036.db2.gz UYEREIPEWYFBCO-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000609850833 675939333 /nfs/dbraw/zinc/93/93/33/675939333.db2.gz WSJWXTMQSOZICN-LLVKDONJSA-N -1 1 364.807 2.114 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000119323216 671896747 /nfs/dbraw/zinc/89/67/47/671896747.db2.gz XVXAIWHBXJGXQG-RFAUZJTJSA-N -1 1 372.349 2.273 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(F)cc1 ZINC000159048044 672276417 /nfs/dbraw/zinc/27/64/17/672276417.db2.gz MSLNLKYHRSSSDN-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM COc1cc(F)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000611146163 676020824 /nfs/dbraw/zinc/02/08/24/676020824.db2.gz MGCKKUSEKHPHIX-UHFFFAOYSA-N -1 1 372.349 2.403 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000588902034 672491471 /nfs/dbraw/zinc/49/14/71/672491471.db2.gz ALRGTPRGSLEDOL-NSHDSACASA-N -1 1 354.306 2.223 20 5 FEBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592082362 672750403 /nfs/dbraw/zinc/75/04/03/672750403.db2.gz HIWWHDZBYHJGKM-NXEZZACHSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000194345355 672757091 /nfs/dbraw/zinc/75/70/91/672757091.db2.gz XRNCMNBHJFTBIS-NSHDSACASA-N -1 1 352.343 2.016 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245536201 672820465 /nfs/dbraw/zinc/82/04/65/672820465.db2.gz ILEWUYLFABFJLG-LERXQTSPSA-N -1 1 372.830 2.484 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000725821522 673092562 /nfs/dbraw/zinc/09/25/62/673092562.db2.gz RKXCHSKOSVEQEV-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752003 673129439 /nfs/dbraw/zinc/12/94/39/673129439.db2.gz FVBOGJJSSTWCKB-ZDUSSCGKSA-N -1 1 363.395 2.354 20 5 FEBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594756217 673130887 /nfs/dbraw/zinc/13/08/87/673130887.db2.gz UQKGYIHZFUVYEV-UHFFFAOYSA-N -1 1 351.384 2.257 20 5 FEBDMM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381477 673238602 /nfs/dbraw/zinc/23/86/02/673238602.db2.gz LZRGPKJUYQLQHQ-ZYHUDNBSSA-N -1 1 356.425 2.099 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000537593641 673396136 /nfs/dbraw/zinc/39/61/36/673396136.db2.gz GINWGYVVAJCHBB-NHYWBVRUSA-N -1 1 364.427 2.413 20 5 FEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3nc[nH]c(=O)c3c2)cc1[N+](=O)[O-] ZINC000537654970 673399604 /nfs/dbraw/zinc/39/96/04/673399604.db2.gz XLPWGJRSTOFSDV-UHFFFAOYSA-N -1 1 360.351 2.353 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OCCO ZINC000542055675 673560683 /nfs/dbraw/zinc/56/06/83/673560683.db2.gz OUSDMWWZUBYZNK-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(OC)c1 ZINC000599430248 673675038 /nfs/dbraw/zinc/67/50/38/673675038.db2.gz XTLVWXGKHDDOKI-JTQLQIEISA-N -1 1 367.383 2.047 20 5 FEBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1[N+](=O)[O-] ZINC000543858125 673675173 /nfs/dbraw/zinc/67/51/73/673675173.db2.gz QTZIXPMYMFVMGW-UHFFFAOYSA-N -1 1 363.395 2.397 20 5 FEBDMM CO[C@@H](CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000601400493 673855905 /nfs/dbraw/zinc/85/59/05/673855905.db2.gz SJSQYGZUEATUJC-QMMMGPOBSA-N -1 1 362.351 2.210 20 5 FEBDMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746401400 673876553 /nfs/dbraw/zinc/87/65/53/673876553.db2.gz YIFDPSPDKHJNRQ-VIFPVBQESA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000618468261 676340785 /nfs/dbraw/zinc/34/07/85/676340785.db2.gz FNCVFLRWXHXLHA-VIFPVBQESA-N -1 1 350.766 2.090 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H](C)O ZINC000832308763 680122375 /nfs/dbraw/zinc/12/23/75/680122375.db2.gz CWMLFMSUUKQEDK-XPUUQOCRSA-N -1 1 357.215 2.339 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)cc1Cl ZINC000832580523 680152306 /nfs/dbraw/zinc/15/23/06/680152306.db2.gz SUNRDRDLDNSGHO-VIFPVBQESA-N -1 1 366.798 2.482 20 5 FEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000841548092 680895573 /nfs/dbraw/zinc/89/55/73/680895573.db2.gz FNUNDHBFTGDWGI-STQMWFEESA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000768804626 680958980 /nfs/dbraw/zinc/95/89/80/680958980.db2.gz ZBBPPDSSTKYLQI-QMMMGPOBSA-N -1 1 356.381 2.425 20 5 FEBDMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768883266 680963405 /nfs/dbraw/zinc/96/34/05/680963405.db2.gz ZIQQRPYVIKRJRI-UHFFFAOYSA-N -1 1 372.380 2.311 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000769670523 680991093 /nfs/dbraw/zinc/99/10/93/680991093.db2.gz AEKXFOHSYZZKKO-UHFFFAOYSA-N -1 1 362.326 2.308 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000845976450 681168138 /nfs/dbraw/zinc/16/81/38/681168138.db2.gz CAQOLJUIONFOJH-AWEZNQCLSA-N -1 1 358.391 2.217 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845980816 681169024 /nfs/dbraw/zinc/16/90/24/681169024.db2.gz QVGLZNZEACHLAX-MEDUHNTESA-N -1 1 368.386 2.308 20 5 FEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)OCCC[N-]C(=O)C(F)(F)F ZINC000774912521 681250068 /nfs/dbraw/zinc/25/00/68/681250068.db2.gz OFWFBDPDJIKNJR-UHFFFAOYSA-N -1 1 366.317 2.299 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848466771 681555491 /nfs/dbraw/zinc/55/54/91/681555491.db2.gz SEFNUGBPBPWOCA-OCCSQVGLSA-N -1 1 358.391 2.360 20 5 FEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1 ZINC000849337089 681690666 /nfs/dbraw/zinc/69/06/66/681690666.db2.gz LVQYQUHUJAYWDT-CABZTGNLSA-N -1 1 364.807 2.041 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000849469724 681751919 /nfs/dbraw/zinc/75/19/19/681751919.db2.gz ZONQRSMGDMOXDR-UHFFFAOYSA-N -1 1 360.819 2.078 20 5 FEBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000788722651 682554122 /nfs/dbraw/zinc/55/41/22/682554122.db2.gz RIUCMLFUZHOHQZ-CABCVRRESA-N -1 1 365.411 2.026 20 5 FEBDMM COC(=O)c1ccc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])[n-]1 ZINC000796364221 683156677 /nfs/dbraw/zinc/15/66/77/683156677.db2.gz CKGZNLXUVFVAQO-UHFFFAOYSA-N -1 1 352.274 2.214 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC000921319999 683421584 /nfs/dbraw/zinc/42/15/84/683421584.db2.gz ZJYQCSYCNBXQHO-XJKSGUPXSA-N -1 1 366.370 2.486 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@]12C[C@H]1COC21CCC1 ZINC000922105027 683660443 /nfs/dbraw/zinc/66/04/43/683660443.db2.gz FYQVPGFLJVJZEK-LKFCYVNXSA-N -1 1 358.803 2.238 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)c([N+](=O)[O-])n1 ZINC000549912383 674070533 /nfs/dbraw/zinc/07/05/33/674070533.db2.gz NLDUTIRLANGJFQ-UHFFFAOYSA-N -1 1 352.416 2.333 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000030693446 539889407 /nfs/dbraw/zinc/88/94/07/539889407.db2.gz RDFBPZZGCXGVOM-NSHDSACASA-N -1 1 368.349 2.444 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000031776508 539918909 /nfs/dbraw/zinc/91/89/09/539918909.db2.gz HDWWCZPVOFXPBH-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM CC(C)n1c(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n[n-]c1=S ZINC000066640882 541353537 /nfs/dbraw/zinc/35/35/37/541353537.db2.gz CXSQFUHGFZHSED-UHFFFAOYSA-N -1 1 361.387 2.236 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(Cl)c1 ZINC000130757064 544163813 /nfs/dbraw/zinc/16/38/13/544163813.db2.gz DRICFLRQDWUORA-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c(Cl)c1 ZINC000130757064 544163815 /nfs/dbraw/zinc/16/38/15/544163815.db2.gz DRICFLRQDWUORA-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000191788087 328281882 /nfs/dbraw/zinc/28/18/82/328281882.db2.gz QWKFCQZCFVIRKP-UHFFFAOYSA-N -1 1 363.395 2.040 20 5 FEBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192566957 328326224 /nfs/dbraw/zinc/32/62/24/328326224.db2.gz XGQOYQZHZWHEMI-GFCCVEGCSA-N -1 1 351.746 2.466 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000193453388 328376168 /nfs/dbraw/zinc/37/61/68/328376168.db2.gz DJPABQOESRAHOA-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000031555834 324469052 /nfs/dbraw/zinc/46/90/52/324469052.db2.gz ATVJIMDPRQYBMM-UHFFFAOYSA-N -1 1 350.352 2.475 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nccn1C(F)F ZINC000173963182 327298171 /nfs/dbraw/zinc/29/81/71/327298171.db2.gz GJODXOWWAUPNPZ-UHFFFAOYSA-N -1 1 366.733 2.318 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000175351437 327388593 /nfs/dbraw/zinc/38/85/93/327388593.db2.gz IJHIERTUNCYCTP-LBPRGKRZSA-N -1 1 354.384 2.471 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@H]1O ZINC000178710810 327601889 /nfs/dbraw/zinc/60/18/89/327601889.db2.gz BWKSXPFPBNDETB-GXTWGEPZSA-N -1 1 368.798 2.185 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000275682224 330077452 /nfs/dbraw/zinc/07/74/52/330077452.db2.gz ZDFHMEKKMLXHBJ-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2cnc[nH]2)cc1[N+](=O)[O-] ZINC000555137076 674349307 /nfs/dbraw/zinc/34/93/07/674349307.db2.gz RGVACEBKMHBYMY-UHFFFAOYSA-N -1 1 361.177 2.190 20 5 FEBDMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000183364200 547644923 /nfs/dbraw/zinc/64/49/23/547644923.db2.gz QUMQYJVNXJADRL-UHFFFAOYSA-N -1 1 353.338 2.120 20 5 FEBDMM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000485501666 561320512 /nfs/dbraw/zinc/32/05/12/561320512.db2.gz HAAVCXKRLKOIIS-UHFFFAOYSA-N -1 1 360.370 2.332 20 5 FEBDMM O=C(NCc1nnc(-c2ccccc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185845241 548044732 /nfs/dbraw/zinc/04/47/32/548044732.db2.gz LQKVLVKKNALDHY-UHFFFAOYSA-N -1 1 357.351 2.144 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)c1 ZINC000195288376 548612934 /nfs/dbraw/zinc/61/29/34/548612934.db2.gz IUCCHNKAHHOPQH-UHFFFAOYSA-N -1 1 358.379 2.278 20 5 FEBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)c1 ZINC000195288376 548612939 /nfs/dbraw/zinc/61/29/39/548612939.db2.gz IUCCHNKAHHOPQH-UHFFFAOYSA-N -1 1 358.379 2.278 20 5 FEBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)s2)cc1OC ZINC000198125421 548657341 /nfs/dbraw/zinc/65/73/41/548657341.db2.gz ABPHTYIKZJTGGC-UHFFFAOYSA-N -1 1 368.371 2.041 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3)s1 ZINC000490038848 561425177 /nfs/dbraw/zinc/42/51/77/561425177.db2.gz KGGOKSHIQGDTDH-UHFFFAOYSA-N -1 1 353.425 2.493 20 5 FEBDMM COc1cc(CN(C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000263433210 549901015 /nfs/dbraw/zinc/90/10/15/549901015.db2.gz SVWXMIFURARZOY-MRVPVSSYSA-N -1 1 366.292 2.449 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000272400093 550444070 /nfs/dbraw/zinc/44/40/70/550444070.db2.gz JBQYJWJPXZVWIC-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC000273117973 550485739 /nfs/dbraw/zinc/48/57/39/550485739.db2.gz RCUGVDKJIHZPRX-UHFFFAOYSA-N -1 1 353.316 2.062 20 5 FEBDMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccnc1-2 ZINC000287590030 552022627 /nfs/dbraw/zinc/02/26/27/552022627.db2.gz LXLWOWQIQWFWCX-PGMHBOJBSA-N -1 1 366.381 2.447 20 5 FEBDMM COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000288412919 552149342 /nfs/dbraw/zinc/14/93/42/552149342.db2.gz PSNWNHIIUNICLY-ZDUSSCGKSA-N -1 1 373.365 2.388 20 5 FEBDMM COC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289242182 552287836 /nfs/dbraw/zinc/28/78/36/552287836.db2.gz WMZGSKQNWBDOPT-UHFFFAOYSA-N -1 1 371.198 2.132 20 5 FEBDMM C[C@@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289668435 552359253 /nfs/dbraw/zinc/35/92/53/552359253.db2.gz BZXANDASWJLNJK-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000289989553 552410356 /nfs/dbraw/zinc/41/03/56/552410356.db2.gz VSAHFRGRDPUPJL-UHFFFAOYSA-N -1 1 362.770 2.082 20 5 FEBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295146955 552963444 /nfs/dbraw/zinc/96/34/44/552963444.db2.gz AKYYDAWRAOBQQX-QMMMGPOBSA-N -1 1 354.787 2.074 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])n1 ZINC000331889388 554339595 /nfs/dbraw/zinc/33/95/95/554339595.db2.gz DMGUAIAPPNJCEP-ZDUSSCGKSA-N -1 1 368.390 2.306 20 5 FEBDMM CCOC(=O)c1ccnc([N-]c2cnn(C[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000363241314 555061592 /nfs/dbraw/zinc/06/15/92/555061592.db2.gz HIRITSNWJVGRCV-GFCCVEGCSA-N -1 1 361.358 2.286 20 5 FEBDMM Cc1cc(C)n(CC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000365676734 555638318 /nfs/dbraw/zinc/63/83/18/555638318.db2.gz UZAJGHIDCGMMBV-UHFFFAOYSA-N -1 1 359.386 2.061 20 5 FEBDMM COc1cc(OC)cc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000373079069 557623364 /nfs/dbraw/zinc/62/33/64/557623364.db2.gz GURZFYDCXTZYNO-NSHDSACASA-N -1 1 373.365 2.342 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000524790558 562235090 /nfs/dbraw/zinc/23/50/90/562235090.db2.gz GJNVDZOMTCKHJQ-GFCCVEGCSA-N -1 1 373.394 2.215 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000525693994 562252503 /nfs/dbraw/zinc/25/25/03/562252503.db2.gz GCMWAENHIFJFIS-LBPRGKRZSA-N -1 1 371.802 2.309 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000526045912 562265003 /nfs/dbraw/zinc/26/50/03/562265003.db2.gz DVLLOGDOHUGCJS-UHFFFAOYSA-N -1 1 370.314 2.027 20 5 FEBDMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000416516966 559319366 /nfs/dbraw/zinc/31/93/66/559319366.db2.gz QPLFLPQECFGZJY-ZDUSSCGKSA-N -1 1 370.452 2.155 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])n1 ZINC000435609218 559926121 /nfs/dbraw/zinc/92/61/21/559926121.db2.gz YHNMJDTVCTUTJA-XYPYZODXSA-N -1 1 368.390 2.175 20 5 FEBDMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000443761114 560092131 /nfs/dbraw/zinc/09/21/31/560092131.db2.gz SGKJSIGSVPFVQC-JTQLQIEISA-N -1 1 356.429 2.017 20 5 FEBDMM O=C(NCCc1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445479175 560132387 /nfs/dbraw/zinc/13/23/87/560132387.db2.gz VBHNNYAIKHLNHF-UHFFFAOYSA-N -1 1 372.312 2.462 20 5 FEBDMM O=c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386746 560683795 /nfs/dbraw/zinc/68/37/95/560683795.db2.gz YIUDZYRXXKYAOR-GFCCVEGCSA-N -1 1 356.386 2.049 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000474431248 561073864 /nfs/dbraw/zinc/07/38/64/561073864.db2.gz HXKOXOVJVGSXQF-UHFFFAOYSA-N -1 1 354.388 2.326 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1[N+](=O)[O-] ZINC000530665711 562419863 /nfs/dbraw/zinc/41/98/63/562419863.db2.gz YULKPNGZSUIHPX-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(CC)CC ZINC000530916139 562428556 /nfs/dbraw/zinc/42/85/56/562428556.db2.gz QNCVEZITEFOUTR-CHWSQXEVSA-N -1 1 357.432 2.252 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854286 562490451 /nfs/dbraw/zinc/49/04/51/562490451.db2.gz RDIJPHMKQWMEJH-NEPJUHHUSA-N -1 1 352.416 2.282 20 5 FEBDMM CC[C@@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828692997 600730621 /nfs/dbraw/zinc/73/06/21/600730621.db2.gz PRJSDNYAEUBSLT-LLVKDONJSA-N -1 1 371.198 2.433 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC000832905481 601473430 /nfs/dbraw/zinc/47/34/30/601473430.db2.gz ONIJNBZAEFQYKV-UHFFFAOYSA-N -1 1 351.340 2.106 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809827554 674513615 /nfs/dbraw/zinc/51/36/15/674513615.db2.gz ABCNFJPBHKTDBX-JTQLQIEISA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCCCCO)cc1Cl ZINC000809832349 674514551 /nfs/dbraw/zinc/51/45/51/674514551.db2.gz JHMSMRJLKFAVSQ-UHFFFAOYSA-N -1 1 354.787 2.218 20 5 FEBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834041 674514654 /nfs/dbraw/zinc/51/46/54/674514654.db2.gz VWCXHDLQDLICRW-WDEREUQCSA-N -1 1 369.226 2.339 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)O ZINC000809836528 674514985 /nfs/dbraw/zinc/51/49/85/674514985.db2.gz NFYDSHSPFPPJOL-LBPRGKRZSA-N -1 1 368.814 2.461 20 5 FEBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823723181 603628254 /nfs/dbraw/zinc/62/82/54/603628254.db2.gz JFAUPMLESDHGNJ-LLVKDONJSA-N -1 1 352.391 2.147 20 5 FEBDMM C[C@@H](C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1)C(=O)[O-] ZINC000827448674 604744876 /nfs/dbraw/zinc/74/48/76/604744876.db2.gz AZNSDSKTCHIYNA-VIFPVBQESA-N -1 1 355.778 2.372 20 5 FEBDMM C[C@@H](CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1)C(=O)[O-] ZINC000827448674 604744881 /nfs/dbraw/zinc/74/48/81/604744881.db2.gz AZNSDSKTCHIYNA-VIFPVBQESA-N -1 1 355.778 2.372 20 5 FEBDMM C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000833567931 604807546 /nfs/dbraw/zinc/80/75/46/604807546.db2.gz ASJOLZXGPUOYMX-LKFCYVNXSA-N -1 1 360.363 2.046 20 5 FEBDMM C[C@H](C[C@@H](O)c1cccs1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824394138 607732985 /nfs/dbraw/zinc/73/29/85/607732985.db2.gz VZPWLVFCLRWKSA-PSASIEDQSA-N -1 1 361.387 2.156 20 5 FEBDMM C[C@H](C[C@@H](O)c1cccs1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824394138 607732987 /nfs/dbraw/zinc/73/29/87/607732987.db2.gz VZPWLVFCLRWKSA-PSASIEDQSA-N -1 1 361.387 2.156 20 5 FEBDMM O=C([O-])N(CC1CC1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000834288816 605786145 /nfs/dbraw/zinc/78/61/45/605786145.db2.gz YNVGHFWSEVGLNI-UHFFFAOYSA-N -1 1 363.370 2.295 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000559106304 674528345 /nfs/dbraw/zinc/52/83/45/674528345.db2.gz UCQFRFOPKYKZMV-BBRMVZONSA-N -1 1 364.427 2.283 20 5 FEBDMM COc1ccc(OCCN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821841185 606644888 /nfs/dbraw/zinc/64/48/88/606644888.db2.gz FOAJKEKLJJUQJG-UHFFFAOYSA-N -1 1 370.369 2.299 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1-c1nn[n-]n1 ZINC000823634805 606645193 /nfs/dbraw/zinc/64/51/93/606645193.db2.gz MJKCSLYBAPJBIA-MRXNPFEDSA-N -1 1 370.344 2.492 20 5 FEBDMM Cc1ccccc1[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000822352170 606712343 /nfs/dbraw/zinc/71/23/43/606712343.db2.gz VRRSQMDAPGUMGU-CQSZACIVSA-N -1 1 367.369 2.056 20 5 FEBDMM Cc1ccccc1[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000822352170 606712344 /nfs/dbraw/zinc/71/23/44/606712344.db2.gz VRRSQMDAPGUMGU-CQSZACIVSA-N -1 1 367.369 2.056 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000823620873 606713028 /nfs/dbraw/zinc/71/30/28/606713028.db2.gz RSKBDSFTCCVIHD-GFCCVEGCSA-N -1 1 369.360 2.378 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000823620873 606713029 /nfs/dbraw/zinc/71/30/29/606713029.db2.gz RSKBDSFTCCVIHD-GFCCVEGCSA-N -1 1 369.360 2.378 20 5 FEBDMM CC(=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942508 608142286 /nfs/dbraw/zinc/14/22/86/608142286.db2.gz DTFINMXHRFHJKF-DHZHZOJOSA-N -1 1 366.337 2.317 20 5 FEBDMM CC(=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942508 608142287 /nfs/dbraw/zinc/14/22/87/608142287.db2.gz DTFINMXHRFHJKF-DHZHZOJOSA-N -1 1 366.337 2.317 20 5 FEBDMM COc1ccc2c(c1)CC[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000826212579 609590827 /nfs/dbraw/zinc/59/08/27/609590827.db2.gz UTZYQHLUZAYILD-LBPRGKRZSA-N -1 1 367.369 2.148 20 5 FEBDMM COc1ccc2c(c1)CC[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000826212579 609590829 /nfs/dbraw/zinc/59/08/29/609590829.db2.gz UTZYQHLUZAYILD-LBPRGKRZSA-N -1 1 367.369 2.148 20 5 FEBDMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814980173 674892558 /nfs/dbraw/zinc/89/25/58/674892558.db2.gz COFRWCBBQSGWEA-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029759 674902407 /nfs/dbraw/zinc/90/24/07/674902407.db2.gz XLQYNOUSSUZIIU-SFYZADRCSA-N -1 1 352.771 2.233 20 5 FEBDMM O=C([O-])Cc1ccccc1CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000565131355 675096768 /nfs/dbraw/zinc/09/67/68/675096768.db2.gz BEOXBDRFLIQZMH-UHFFFAOYSA-N -1 1 368.342 2.303 20 5 FEBDMM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000111640066 670860206 /nfs/dbraw/zinc/86/02/06/670860206.db2.gz QXRJIMUFZNFWNT-GFCCVEGCSA-N -1 1 372.164 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(F)c1 ZINC000573533605 671133764 /nfs/dbraw/zinc/13/37/64/671133764.db2.gz PSMIKAGJDOCUAD-UHFFFAOYSA-N -1 1 354.241 2.277 20 5 FEBDMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609541833 675925411 /nfs/dbraw/zinc/92/54/11/675925411.db2.gz UBMKZZONCMOZON-SNVBAGLBSA-N -1 1 364.807 2.114 20 5 FEBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000118948570 671889563 /nfs/dbraw/zinc/88/95/63/671889563.db2.gz RHRLPXVGIFULTO-OAHLLOKOSA-N -1 1 370.814 2.434 20 5 FEBDMM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc21 ZINC000130034881 672069141 /nfs/dbraw/zinc/06/91/41/672069141.db2.gz QVBXPXBBNTUTFA-UHFFFAOYSA-N -1 1 364.358 2.397 20 5 FEBDMM COc1cccc(C2([N-]S(=O)(=O)c3ncccc3[N+](=O)[O-])CCC2)c1 ZINC000595374918 673236329 /nfs/dbraw/zinc/23/63/29/673236329.db2.gz HHOLOKXSTUXMJT-UHFFFAOYSA-N -1 1 363.395 2.356 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000536938291 673382101 /nfs/dbraw/zinc/38/21/01/673382101.db2.gz FYWGYARJYLWYJJ-UHFFFAOYSA-N -1 1 371.321 2.497 20 5 FEBDMM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599277889 673652604 /nfs/dbraw/zinc/65/26/04/673652604.db2.gz KOSWGROHZMFWQZ-IAQYHMDHSA-N -1 1 364.427 2.320 20 5 FEBDMM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599297731 673655564 /nfs/dbraw/zinc/65/55/64/673655564.db2.gz LNVRDVDJLNNTPN-VIFPVBQESA-N -1 1 356.429 2.090 20 5 FEBDMM COc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F ZINC000599426690 673674391 /nfs/dbraw/zinc/67/43/91/673674391.db2.gz NAKVTWYFCMFRRC-UHFFFAOYSA-N -1 1 369.374 2.351 20 5 FEBDMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000544182976 673696480 /nfs/dbraw/zinc/69/64/80/673696480.db2.gz ACUHRPVONVQXQG-IUCAKERBSA-N -1 1 364.807 2.114 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)o1 ZINC000544749658 673730627 /nfs/dbraw/zinc/73/06/27/673730627.db2.gz GQIVDDOUVAQYRY-UHFFFAOYSA-N -1 1 364.339 2.121 20 5 FEBDMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000827889821 675785418 /nfs/dbraw/zinc/78/54/18/675785418.db2.gz LINWGFKHBAKXBX-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000828217716 675807046 /nfs/dbraw/zinc/80/70/46/675807046.db2.gz LELQQKUTGWRBMY-JTQLQIEISA-N -1 1 362.379 2.133 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000832579004 680151956 /nfs/dbraw/zinc/15/19/56/680151956.db2.gz APWWVBHKMBVAHW-VIFPVBQESA-N -1 1 366.798 2.482 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000751421639 680173218 /nfs/dbraw/zinc/17/32/18/680173218.db2.gz BKYGUTYDDBJECU-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842329140 680938958 /nfs/dbraw/zinc/93/89/58/680938958.db2.gz KKFPWUDBICJPSZ-KNBVPPQFSA-N -1 1 367.210 2.166 20 5 FEBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768796035 680958283 /nfs/dbraw/zinc/95/82/83/680958283.db2.gz QCOMCPJLUSUGQV-UHFFFAOYSA-N -1 1 358.397 2.152 20 5 FEBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842936274 680976298 /nfs/dbraw/zinc/97/62/98/680976298.db2.gz SLSFRHJCYBVZNK-UWVGGRQHSA-N -1 1 355.778 2.372 20 5 FEBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000845969619 681167092 /nfs/dbraw/zinc/16/70/92/681167092.db2.gz ROPHXQNOVQWXTQ-MWLCHTKSSA-N -1 1 350.824 2.324 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845980811 681169064 /nfs/dbraw/zinc/16/90/64/681169064.db2.gz QVGLZNZEACHLAX-BDJLRTHQSA-N -1 1 368.386 2.308 20 5 FEBDMM CC1CCC(O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000851894196 682179963 /nfs/dbraw/zinc/17/99/63/682179963.db2.gz VJBCVIPNMFMOIH-UHFFFAOYSA-N -1 1 362.835 2.468 20 5 FEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000784215736 682207890 /nfs/dbraw/zinc/20/78/90/682207890.db2.gz PFROFHFNDNXZIT-IJLUTSLNSA-N -1 1 350.371 2.350 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCC2=O)c1 ZINC000790350162 682669725 /nfs/dbraw/zinc/66/97/25/682669725.db2.gz FPOQNSWOSCDWHF-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000792782627 682840316 /nfs/dbraw/zinc/84/03/16/682840316.db2.gz IAIIYWSITZENQY-YUMQZZPRSA-N -1 1 359.433 2.327 20 5 FEBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000792782627 682840320 /nfs/dbraw/zinc/84/03/20/682840320.db2.gz IAIIYWSITZENQY-YUMQZZPRSA-N -1 1 359.433 2.327 20 5 FEBDMM CCOC(=O)c1nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000793964314 682921667 /nfs/dbraw/zinc/92/16/67/682921667.db2.gz QPAMTRRZRYBMLW-UHFFFAOYSA-N -1 1 354.269 2.225 20 5 FEBDMM O=C(Nc1nc(Br)ccc1O)c1cccc([O-])c1[N+](=O)[O-] ZINC000798175688 683317591 /nfs/dbraw/zinc/31/75/91/683317591.db2.gz IMWOMJYFIQDBJL-UHFFFAOYSA-N -1 1 354.116 2.416 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@]12C[C@H]1COC21CCC1 ZINC000922105199 683660620 /nfs/dbraw/zinc/66/06/20/683660620.db2.gz BZJWEELZZLSWSO-LKFCYVNXSA-N -1 1 358.803 2.238 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1F ZINC000866984129 684191306 /nfs/dbraw/zinc/19/13/06/684191306.db2.gz NLYTYSXPAXPFNU-LLVKDONJSA-N -1 1 358.391 2.422 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)cc1F ZINC000867114104 684212542 /nfs/dbraw/zinc/21/25/42/684212542.db2.gz ZWDCHBOTFNVZEE-RISCZKNCSA-N -1 1 358.391 2.278 20 5 FEBDMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CO1 ZINC000907724031 691546378 /nfs/dbraw/zinc/54/63/78/691546378.db2.gz PQCHUKAWUZFMCW-NAUIOFCNSA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1c([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)c(F)ccc1[N+](=O)[O-] ZINC000800150206 674025751 /nfs/dbraw/zinc/02/57/51/674025751.db2.gz GKJQNPJSJIXMAD-UHFFFAOYSA-N -1 1 371.346 2.138 20 5 FEBDMM CC(C)n1c(CNC(=O)COc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000066640130 541352275 /nfs/dbraw/zinc/35/22/75/541352275.db2.gz DGQWKKVEQKXDIS-UHFFFAOYSA-N -1 1 351.388 2.125 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccco1 ZINC000038039572 211366141 /nfs/dbraw/zinc/36/61/41/211366141.db2.gz ZVHOCYOENPNFTR-UHFFFAOYSA-N -1 1 361.173 2.429 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc21 ZINC000098117658 543021896 /nfs/dbraw/zinc/02/18/96/543021896.db2.gz IVFBLKLHVBHIJJ-NSHDSACASA-N -1 1 367.452 2.386 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cnn(Cc2ccccc2)c1 ZINC000126113101 543918778 /nfs/dbraw/zinc/91/87/78/543918778.db2.gz XAGLIQAZVFOGAQ-GFCCVEGCSA-N -1 1 367.365 2.431 20 5 FEBDMM O=C(NCc1ccc(Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186894846 327989005 /nfs/dbraw/zinc/98/90/05/327989005.db2.gz SGVSJPSUCKSNJL-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM O=C(NCCOCc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193751505 328393213 /nfs/dbraw/zinc/39/32/13/328393213.db2.gz WYEQTBMGTRZIJA-UHFFFAOYSA-N -1 1 351.746 2.295 20 5 FEBDMM O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000193978853 328404962 /nfs/dbraw/zinc/40/49/62/328404962.db2.gz ONNKKTLWJHCCGL-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)o1 ZINC000121901802 326374929 /nfs/dbraw/zinc/37/49/29/326374929.db2.gz UTMYMOZYXXDFPE-OAHLLOKOSA-N -1 1 372.374 2.130 20 5 FEBDMM COC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173728012 327279522 /nfs/dbraw/zinc/27/95/22/327279522.db2.gz BBYDGVXGLQULEJ-UHFFFAOYSA-N -1 1 367.221 2.061 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000175346869 327388445 /nfs/dbraw/zinc/38/84/45/327388445.db2.gz PHAGYUZJJXHDQH-ZDUSSCGKSA-N -1 1 354.384 2.471 20 5 FEBDMM O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175770882 327411893 /nfs/dbraw/zinc/41/18/93/327411893.db2.gz DSDAPQMHCJHHTJ-UHFFFAOYSA-N -1 1 362.289 2.143 20 5 FEBDMM CCOC(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC ZINC000276331667 330141935 /nfs/dbraw/zinc/14/19/35/330141935.db2.gz IQOFOCAQFZMHLF-UHFFFAOYSA-N -1 1 366.823 2.316 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160430314 546040202 /nfs/dbraw/zinc/04/02/02/546040202.db2.gz FSXYVMSVNUOXDA-BBRMVZONSA-N -1 1 370.409 2.336 20 5 FEBDMM O=C(NCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000479674016 561194630 /nfs/dbraw/zinc/19/46/30/561194630.db2.gz HAJVGAXOGIEUNP-UHFFFAOYSA-N -1 1 371.378 2.186 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000177727398 546674756 /nfs/dbraw/zinc/67/47/56/546674756.db2.gz ANANKHWXYFKBBK-UHFFFAOYSA-N -1 1 366.786 2.374 20 5 FEBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179473446 546960719 /nfs/dbraw/zinc/96/07/19/546960719.db2.gz HRIIAALEKCUFKV-LLVKDONJSA-N -1 1 357.370 2.316 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n[nH]1 ZINC000179476120 546962395 /nfs/dbraw/zinc/96/23/95/546962395.db2.gz OLZHOLZEPTWBDR-OAHLLOKOSA-N -1 1 353.338 2.246 20 5 FEBDMM CCCc1[nH]nc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)c1[N+](=O)[O-] ZINC000179671341 546996031 /nfs/dbraw/zinc/99/60/31/546996031.db2.gz KCAKTEJBALAKTR-UHFFFAOYSA-N -1 1 350.306 2.448 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000181092145 547248155 /nfs/dbraw/zinc/24/81/55/547248155.db2.gz NLEWUOSCQQMDLV-UHFFFAOYSA-N -1 1 371.321 2.497 20 5 FEBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000182807927 547554705 /nfs/dbraw/zinc/55/47/05/547554705.db2.gz KFSBCHZZJZOCFI-SECBINFHSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn(C)c1=O ZINC000486506970 561349253 /nfs/dbraw/zinc/34/92/53/561349253.db2.gz IMCLYQUYQWRYFT-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246023679 549037547 /nfs/dbraw/zinc/03/75/47/549037547.db2.gz ODXBEUXBSKHALQ-UFGOTCBOSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000247626658 549366417 /nfs/dbraw/zinc/36/64/17/549366417.db2.gz SFLNLIWLYZFEDF-CZUORRHYSA-N -1 1 370.409 2.336 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000491760405 561447526 /nfs/dbraw/zinc/44/75/26/561447526.db2.gz HVUSVHUFPJESJD-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM O=C(Nc1ccccc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274881671 550562074 /nfs/dbraw/zinc/56/20/74/550562074.db2.gz IOYSGLOIGILWBG-UHFFFAOYSA-N -1 1 370.365 2.186 20 5 FEBDMM CCOc1ccccc1N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274910933 550564260 /nfs/dbraw/zinc/56/42/60/550564260.db2.gz UHJRFPYKNSTXGP-UHFFFAOYSA-N -1 1 372.381 2.057 20 5 FEBDMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000498452776 561524828 /nfs/dbraw/zinc/52/48/28/561524828.db2.gz OGCWCLRQCBVUJB-JTQLQIEISA-N -1 1 359.338 2.175 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)cc1Cl ZINC000289976192 552408442 /nfs/dbraw/zinc/40/84/42/552408442.db2.gz UTXNXAGSISPGEL-ZETCQYMHSA-N -1 1 354.812 2.419 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000290752069 552531687 /nfs/dbraw/zinc/53/16/87/552531687.db2.gz MTQHQXVOBKBNPA-JGVFFNPUSA-N -1 1 352.771 2.091 20 5 FEBDMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297100792 553253364 /nfs/dbraw/zinc/25/33/64/553253364.db2.gz ZBEWMKABLSFGBV-UHFFFAOYSA-N -1 1 362.773 2.311 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506363180 561696620 /nfs/dbraw/zinc/69/66/20/561696620.db2.gz LUASJGPTRZORSF-OAHLLOKOSA-N -1 1 353.338 2.132 20 5 FEBDMM CCOc1cc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc(Cl)c1[O-] ZINC000350787139 554813478 /nfs/dbraw/zinc/81/34/78/554813478.db2.gz MRAPNTCDWOGYIE-UHFFFAOYSA-N -1 1 366.721 2.042 20 5 FEBDMM COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000363040630 555016190 /nfs/dbraw/zinc/01/61/90/555016190.db2.gz ZLLUKJVGKONLQG-NSHDSACASA-N -1 1 373.365 2.342 20 5 FEBDMM COc1cccc(Cc2nnc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])s2)c1 ZINC000516251699 562037453 /nfs/dbraw/zinc/03/74/53/562037453.db2.gz SPSMGCNDXSFLOS-UHFFFAOYSA-N -1 1 360.355 2.021 20 5 FEBDMM O=C(c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000370079003 556775004 /nfs/dbraw/zinc/77/50/04/556775004.db2.gz YYMOHKPHIFRDPW-UHFFFAOYSA-N -1 1 361.379 2.492 20 5 FEBDMM COc1ccccc1[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000518380824 562110174 /nfs/dbraw/zinc/11/01/74/562110174.db2.gz AVWKNVIHGKDZQP-CQSZACIVSA-N -1 1 360.370 2.411 20 5 FEBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000373506104 557707121 /nfs/dbraw/zinc/70/71/21/557707121.db2.gz COSNPIKUHWIWLE-UHFFFAOYSA-N -1 1 354.326 2.222 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000524790559 562235066 /nfs/dbraw/zinc/23/50/66/562235066.db2.gz GJNVDZOMTCKHJQ-LBPRGKRZSA-N -1 1 373.394 2.215 20 5 FEBDMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000412502043 559039441 /nfs/dbraw/zinc/03/94/41/559039441.db2.gz AZIHJHVHXUYPLB-SECBINFHSA-N -1 1 351.359 2.030 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416615507 559325316 /nfs/dbraw/zinc/32/53/16/559325316.db2.gz GUKBPVMJBMRDBP-JQWIXIFHSA-N -1 1 350.824 2.322 20 5 FEBDMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000422125662 559566793 /nfs/dbraw/zinc/56/67/93/559566793.db2.gz PLPLYFVONSFHQC-QWRGUYRKSA-N -1 1 365.386 2.135 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)s1 ZINC000431277989 559836837 /nfs/dbraw/zinc/83/68/37/559836837.db2.gz YYRGCEGRPJIJAD-UHFFFAOYSA-N -1 1 368.392 2.353 20 5 FEBDMM COC(=O)c1c[n-]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000432664400 559862738 /nfs/dbraw/zinc/86/27/38/559862738.db2.gz NOCWYMMXQGYSPD-UHFFFAOYSA-N -1 1 361.339 2.447 20 5 FEBDMM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2C1 ZINC000436518960 559944056 /nfs/dbraw/zinc/94/40/56/559944056.db2.gz UJOQVVWRMSFLPT-CYBMUJFWSA-N -1 1 355.394 2.477 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)n(C)c2c1 ZINC000442247022 560046851 /nfs/dbraw/zinc/04/68/51/560046851.db2.gz VUFFRISEOMLNJI-UHFFFAOYSA-N -1 1 362.367 2.296 20 5 FEBDMM CCS[C@H](C)c1noc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000444967799 560125823 /nfs/dbraw/zinc/12/58/23/560125823.db2.gz QEPNUBAMMFSXJB-MRVPVSSYSA-N -1 1 367.387 2.165 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3)ccc1[O-] ZINC000464538572 560844878 /nfs/dbraw/zinc/84/48/78/560844878.db2.gz PFLNDXUGLDBFBK-UHFFFAOYSA-N -1 1 350.352 2.426 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])n1 ZINC000533637160 562515065 /nfs/dbraw/zinc/51/50/65/562515065.db2.gz LFBJJXVORUEJET-UHFFFAOYSA-N -1 1 352.416 2.413 20 5 FEBDMM O=C([O-])c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000740216514 599990644 /nfs/dbraw/zinc/99/06/44/599990644.db2.gz MVLJAFJPJRBEQY-UHFFFAOYSA-N -1 1 353.294 2.330 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000548527218 600612045 /nfs/dbraw/zinc/61/20/45/600612045.db2.gz SVVHCIZTTSCWKH-UHFFFAOYSA-N -1 1 350.352 2.331 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CCO)CCC2)cc1Cl ZINC000809827191 674513610 /nfs/dbraw/zinc/51/36/10/674513610.db2.gz FUBGPLZOGRBEOD-UHFFFAOYSA-N -1 1 366.798 2.218 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)cc1Cl ZINC000809810257 674511137 /nfs/dbraw/zinc/51/11/37/674511137.db2.gz QNRAOQBPDJWKHE-QMMMGPOBSA-N -1 1 352.771 2.235 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097509 604848298 /nfs/dbraw/zinc/84/82/98/604848298.db2.gz OUXVHDJJOLLAOP-MXWKQRLJSA-N -1 1 350.375 2.299 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-c2nnco2)cc1 ZINC000823629592 607164475 /nfs/dbraw/zinc/16/44/75/607164475.db2.gz AZYGRQBZKPFHPO-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-c2nnco2)cc1 ZINC000823629592 607164477 /nfs/dbraw/zinc/16/44/77/607164477.db2.gz AZYGRQBZKPFHPO-UHFFFAOYSA-N -1 1 352.270 2.012 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1Cc2ccccc2C1 ZINC000826497502 607904059 /nfs/dbraw/zinc/90/40/59/607904059.db2.gz JGMUDMLCUYNXRB-UHFFFAOYSA-N -1 1 351.370 2.387 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1Cc2ccccc2C1 ZINC000826497502 607904060 /nfs/dbraw/zinc/90/40/60/607904060.db2.gz JGMUDMLCUYNXRB-UHFFFAOYSA-N -1 1 351.370 2.387 20 5 FEBDMM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000561563737 674680456 /nfs/dbraw/zinc/68/04/56/674680456.db2.gz REDSMLVBSULZBB-CYBMUJFWSA-N -1 1 365.411 2.264 20 5 FEBDMM C[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[N+](=O)[O-] ZINC000813103413 674719549 /nfs/dbraw/zinc/71/95/49/674719549.db2.gz PZGOGXMKVOIWOV-GFCCVEGCSA-N -1 1 364.379 2.309 20 5 FEBDMM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000813496617 674752341 /nfs/dbraw/zinc/75/23/41/674752341.db2.gz NXJZLFWSQRMYBH-SSDOTTSWSA-N -1 1 371.184 2.435 20 5 FEBDMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]n1 ZINC000815016451 674897098 /nfs/dbraw/zinc/89/70/98/674897098.db2.gz HSKZSGRWLVZCNE-UHFFFAOYSA-N -1 1 362.770 2.151 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000815033118 674903787 /nfs/dbraw/zinc/90/37/87/674903787.db2.gz VLDJDLIEQCLDOK-MRVPVSSYSA-N -1 1 352.771 2.092 20 5 FEBDMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000815066307 674909887 /nfs/dbraw/zinc/90/98/87/674909887.db2.gz JFPUENLFCXPCDC-UHFFFAOYSA-N -1 1 359.148 2.291 20 5 FEBDMM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000096706932 670761573 /nfs/dbraw/zinc/76/15/73/670761573.db2.gz JFGHEWUXSAKCGZ-VIFPVBQESA-N -1 1 367.221 2.061 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c1 ZINC000572841748 671051211 /nfs/dbraw/zinc/05/12/11/671051211.db2.gz BBUKBSZDJYGEDK-SNVBAGLBSA-N -1 1 352.372 2.013 20 5 FEBDMM Cc1nc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nn1C ZINC000579991056 671775423 /nfs/dbraw/zinc/77/54/23/671775423.db2.gz AYJOSHGAFYSPRY-UHFFFAOYSA-N -1 1 359.264 2.225 20 5 FEBDMM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000118948756 671889577 /nfs/dbraw/zinc/88/95/77/671889577.db2.gz RHRLPXVGIFULTO-HNNXBMFYSA-N -1 1 370.814 2.434 20 5 FEBDMM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119559229 671902522 /nfs/dbraw/zinc/90/25/22/671902522.db2.gz VMGSZIBHIPMLNK-UHFFFAOYSA-N -1 1 355.397 2.093 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cs1 ZINC000120099400 671916859 /nfs/dbraw/zinc/91/68/59/671916859.db2.gz BIITYDGLNYFYLX-UHFFFAOYSA-N -1 1 368.318 2.376 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)s1 ZINC000120921082 671938236 /nfs/dbraw/zinc/93/82/36/671938236.db2.gz RUJKJTYWDZEZTC-JTQLQIEISA-N -1 1 362.816 2.322 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000610261650 675961704 /nfs/dbraw/zinc/96/17/04/675961704.db2.gz GCTSVWUKLITZQN-LLVKDONJSA-N -1 1 369.786 2.445 20 5 FEBDMM O=C([N-]c1nn2cnnc2s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000610337252 675967055 /nfs/dbraw/zinc/96/70/55/675967055.db2.gz NWRWZIFXPVJAKK-UHFFFAOYSA-N -1 1 358.261 2.365 20 5 FEBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000582697346 672025786 /nfs/dbraw/zinc/02/57/86/672025786.db2.gz FZAALLDMISWMND-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccc(F)cc1 ZINC000159051025 672276734 /nfs/dbraw/zinc/27/67/34/672276734.db2.gz UWSWIWWJFMIIJF-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000611106055 676017737 /nfs/dbraw/zinc/01/77/37/676017737.db2.gz SCMJHYOFYOZFJG-UHFFFAOYSA-N -1 1 356.379 2.164 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCOC1 ZINC000594696459 673118184 /nfs/dbraw/zinc/11/81/84/673118184.db2.gz OHWAJWHFPRAXJE-SWLSCSKDSA-N -1 1 358.416 2.005 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000594744442 673127165 /nfs/dbraw/zinc/12/71/65/673127165.db2.gz KOHIVCZDHNTVHG-CYBMUJFWSA-N -1 1 351.384 2.428 20 5 FEBDMM CCCOCc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755029 673130566 /nfs/dbraw/zinc/13/05/66/673130566.db2.gz FLUGTPQNVNUVQS-UHFFFAOYSA-N -1 1 365.411 2.395 20 5 FEBDMM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793913 673145247 /nfs/dbraw/zinc/14/52/47/673145247.db2.gz WILQKPHUMSQQEJ-JTQLQIEISA-N -1 1 361.851 2.399 20 5 FEBDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000595302787 673219252 /nfs/dbraw/zinc/21/92/52/673219252.db2.gz NIZTXDUPHMDBTB-JTQLQIEISA-N -1 1 368.367 2.322 20 5 FEBDMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000537385276 673387087 /nfs/dbraw/zinc/38/70/87/673387087.db2.gz WSWGPQOHUWQMAT-NSHDSACASA-N -1 1 362.773 2.358 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000538541503 673445556 /nfs/dbraw/zinc/44/55/56/673445556.db2.gz ZCMAJBONCTVHGN-GFCCVEGCSA-N -1 1 367.358 2.321 20 5 FEBDMM COc1ccc(CSCC(=O)Nc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000597694948 673499922 /nfs/dbraw/zinc/49/99/22/673499922.db2.gz ZGLOJMAINYBNAE-UHFFFAOYSA-N -1 1 352.372 2.212 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000741646517 673692775 /nfs/dbraw/zinc/69/27/75/673692775.db2.gz JATIQSWELKKWRD-UHFFFAOYSA-N -1 1 365.367 2.073 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000566652900 675231989 /nfs/dbraw/zinc/23/19/89/675231989.db2.gz XWRAULROJYOGRU-UHFFFAOYSA-N -1 1 354.413 2.194 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000619507568 676382789 /nfs/dbraw/zinc/38/27/89/676382789.db2.gz NKIAFDDTBVDBBZ-UHFFFAOYSA-N -1 1 354.306 2.367 20 5 FEBDMM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1C ZINC000762960641 680767578 /nfs/dbraw/zinc/76/75/78/680767578.db2.gz HMUSNEUMFJCFBE-UHFFFAOYSA-N -1 1 368.367 2.484 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840656582 680835891 /nfs/dbraw/zinc/83/58/91/680835891.db2.gz VUGIJCWHULVBTM-NWDGAFQWSA-N -1 1 360.288 2.310 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000833508755 680194818 /nfs/dbraw/zinc/19/48/18/680194818.db2.gz XIPSSHXAKBBAEA-JTQLQIEISA-N -1 1 352.391 2.404 20 5 FEBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000758151009 680557741 /nfs/dbraw/zinc/55/77/41/680557741.db2.gz JDBDEQZFQBKYSQ-UHFFFAOYSA-N -1 1 360.330 2.482 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000759144790 680630852 /nfs/dbraw/zinc/63/08/52/680630852.db2.gz DGJISFQTNWENEL-UHFFFAOYSA-N -1 1 354.388 2.425 20 5 FEBDMM CCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1=O ZINC000760345630 680683736 /nfs/dbraw/zinc/68/37/36/680683736.db2.gz WPXRJMZMVQZMHT-UHFFFAOYSA-N -1 1 369.374 2.415 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000846273538 681216485 /nfs/dbraw/zinc/21/64/85/681216485.db2.gz YSYWTYRYHURSKB-HNNXBMFYSA-N -1 1 352.387 2.449 20 5 FEBDMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000777591915 681508205 /nfs/dbraw/zinc/50/82/05/681508205.db2.gz UNWKMSHFDIEQMX-UHFFFAOYSA-N -1 1 363.351 2.352 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CCC(O)CC2)cc1Cl ZINC000851821007 682147542 /nfs/dbraw/zinc/14/75/42/682147542.db2.gz NEYUNUQIVLMRQT-UHFFFAOYSA-N -1 1 366.798 2.217 20 5 FEBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccnn1C ZINC000788078496 682501636 /nfs/dbraw/zinc/50/16/36/682501636.db2.gz VTBISYBZUIIHRY-LLVKDONJSA-N -1 1 370.406 2.186 20 5 FEBDMM Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000788495374 682534021 /nfs/dbraw/zinc/53/40/21/682534021.db2.gz JXRWXWJODJQXIZ-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc[nH]n1 ZINC000791423601 682742314 /nfs/dbraw/zinc/74/23/14/682742314.db2.gz WAMOVQDFNRCJPC-YFKPBYRVSA-N -1 1 366.186 2.059 20 5 FEBDMM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000796015441 683118641 /nfs/dbraw/zinc/11/86/41/683118641.db2.gz QELVHSOORWUKQI-GFCCVEGCSA-N -1 1 356.425 2.231 20 5 FEBDMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000921498849 683485731 /nfs/dbraw/zinc/48/57/31/683485731.db2.gz NOLBORFIDCLOJR-HTRCEHHLSA-N -1 1 355.199 2.215 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000026233213 539781484 /nfs/dbraw/zinc/78/14/84/539781484.db2.gz CVNDOVVATRSCDM-UHFFFAOYSA-N -1 1 350.356 2.195 20 5 FEBDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000041628902 540028756 /nfs/dbraw/zinc/02/87/56/540028756.db2.gz VAFGDAQVCLMGHG-UHFFFAOYSA-N -1 1 366.399 2.342 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cn1cncn1 ZINC000055686649 540670952 /nfs/dbraw/zinc/67/09/52/540670952.db2.gz FOQXLGFZMVFXNB-UHFFFAOYSA-N -1 1 373.394 2.344 20 5 FEBDMM O=C([N-]c1nnc(C(F)F)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067148079 541424799 /nfs/dbraw/zinc/42/47/99/541424799.db2.gz BSTAZSYCPOTORM-UHFFFAOYSA-N -1 1 367.297 2.217 20 5 FEBDMM O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077277207 542360645 /nfs/dbraw/zinc/36/06/45/542360645.db2.gz WPFIAHOZPVXJPI-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CCn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[n-]c1=S ZINC000078651032 542474249 /nfs/dbraw/zinc/47/42/49/542474249.db2.gz OLVBYQRGHODLFF-UHFFFAOYSA-N -1 1 355.807 2.495 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000097126375 543005541 /nfs/dbraw/zinc/00/55/41/543005541.db2.gz GGOBBGCAJLKSPN-UHFFFAOYSA-N -1 1 367.365 2.179 20 5 FEBDMM Cc1nc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)n[nH]1 ZINC000103282046 543100424 /nfs/dbraw/zinc/10/04/24/543100424.db2.gz DLGSOHWVTXLZHA-OAHLLOKOSA-N -1 1 353.338 2.246 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC000125417756 543880766 /nfs/dbraw/zinc/88/07/66/543880766.db2.gz UFKZIBRICXPTPR-LBPRGKRZSA-N -1 1 370.814 2.303 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000125946954 543910663 /nfs/dbraw/zinc/91/06/63/543910663.db2.gz FYBUCVSHRCJUJO-LBPRGKRZSA-N -1 1 370.814 2.130 20 5 FEBDMM CCC(CC)(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC ZINC000803398122 674240331 /nfs/dbraw/zinc/24/03/31/674240331.db2.gz MHKVFMVPOSUJQF-UHFFFAOYSA-N -1 1 353.327 2.006 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185863909 327936212 /nfs/dbraw/zinc/93/62/12/327936212.db2.gz FNSFQIBUNLYXBD-SECBINFHSA-N -1 1 354.388 2.315 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000187152578 328005217 /nfs/dbraw/zinc/00/52/17/328005217.db2.gz YURQXKDYIPWPKM-MRVPVSSYSA-N -1 1 373.300 2.376 20 5 FEBDMM O=C(NCCc1nc(-c2ccccn2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188446143 328087634 /nfs/dbraw/zinc/08/76/34/328087634.db2.gz IWXZGWBOJTZRSI-UHFFFAOYSA-N -1 1 371.378 2.186 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124831190 326460724 /nfs/dbraw/zinc/46/07/24/326460724.db2.gz VIASJRXFLFGTKB-GXTWGEPZSA-N -1 1 362.835 2.468 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000159554612 326935104 /nfs/dbraw/zinc/93/51/04/326935104.db2.gz NVHLXIVBKZJZRX-CYBMUJFWSA-N -1 1 362.835 2.468 20 5 FEBDMM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173982130 327299528 /nfs/dbraw/zinc/29/95/28/327299528.db2.gz DPCLLMWVACGMMT-UHFFFAOYSA-N -1 1 358.807 2.077 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000266995271 329281097 /nfs/dbraw/zinc/28/10/97/329281097.db2.gz DEXOJGLBUACTRS-GFCCVEGCSA-N -1 1 370.383 2.171 20 5 FEBDMM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1=O ZINC000478124853 561160523 /nfs/dbraw/zinc/16/05/23/561160523.db2.gz YUYVTTXYBFONGR-NSHDSACASA-N -1 1 357.326 2.010 20 5 FEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2CCO3)ccc1[N+](=O)[O-] ZINC000478691280 561172970 /nfs/dbraw/zinc/17/29/70/561172970.db2.gz BUQNBNIHNRDQLR-UHFFFAOYSA-N -1 1 364.335 2.029 20 5 FEBDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000478701016 561173234 /nfs/dbraw/zinc/17/32/34/561173234.db2.gz HXNUHHDRKZHABD-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000269118150 550156978 /nfs/dbraw/zinc/15/69/78/550156978.db2.gz DVMCKNHCXYREOZ-UHFFFAOYSA-N -1 1 357.326 2.153 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)CCc1ccccc1 ZINC000273093656 550484801 /nfs/dbraw/zinc/48/48/01/550484801.db2.gz NDUUJUDLJACKCY-CYBMUJFWSA-N -1 1 368.386 2.006 20 5 FEBDMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278167630 550756656 /nfs/dbraw/zinc/75/66/56/550756656.db2.gz YRBWCFHZEGMDOI-UHFFFAOYSA-N -1 1 357.366 2.256 20 5 FEBDMM CCOc1cc(N2CCN(C(=O)c3ncccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000279840151 550934594 /nfs/dbraw/zinc/93/45/94/550934594.db2.gz RWAPTUHGWDJYRI-UHFFFAOYSA-N -1 1 372.381 2.057 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281641629 551124512 /nfs/dbraw/zinc/12/45/12/551124512.db2.gz HKZJLRVJOBCPNP-UHFFFAOYSA-N -1 1 373.331 2.054 20 5 FEBDMM C[C@@H](CO)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000282842509 551276605 /nfs/dbraw/zinc/27/66/05/551276605.db2.gz MXINYYMYZQFTCO-LBPRGKRZSA-N -1 1 365.411 2.213 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000284798254 551636107 /nfs/dbraw/zinc/63/61/07/551636107.db2.gz YNRRFOBSKCSKOJ-UHFFFAOYSA-N -1 1 354.388 2.117 20 5 FEBDMM Cn1[n-]cc2/c(=N\C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000287380834 551996782 /nfs/dbraw/zinc/99/67/82/551996782.db2.gz FLTRGICBDNMGQO-JWGURIENSA-N -1 1 368.397 2.394 20 5 FEBDMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289803079 552381295 /nfs/dbraw/zinc/38/12/95/552381295.db2.gz JNMNYVCUBAMKSI-DTWKUNHWSA-N -1 1 366.798 2.338 20 5 FEBDMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289814394 552382671 /nfs/dbraw/zinc/38/26/71/552382671.db2.gz KJBBYEDEZLPKQL-OIBJUYFYSA-N -1 1 352.771 2.091 20 5 FEBDMM CCNC(=O)[C@@H](C)[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000298432707 553424319 /nfs/dbraw/zinc/42/43/19/553424319.db2.gz OFUDDPNRQWLPMA-ZCFIWIBFSA-N -1 1 350.253 2.458 20 5 FEBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc([N+](=O)[O-])c1C ZINC000327082328 553785940 /nfs/dbraw/zinc/78/59/40/553785940.db2.gz GNHLERLPGMDMSM-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1C ZINC000327923295 553791961 /nfs/dbraw/zinc/79/19/61/553791961.db2.gz AYGPKLNRDRNPKT-UHFFFAOYSA-N -1 1 366.351 2.416 20 5 FEBDMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330450020 554123283 /nfs/dbraw/zinc/12/32/83/554123283.db2.gz IFCUNJURPNNQJT-QWRGUYRKSA-N -1 1 362.477 2.154 20 5 FEBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)NCc1ccc(F)cc1F ZINC000351033494 554831493 /nfs/dbraw/zinc/83/14/93/554831493.db2.gz OQYAERSANZJPJC-UHFFFAOYSA-N -1 1 363.280 2.110 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000365190658 555506348 /nfs/dbraw/zinc/50/63/48/555506348.db2.gz BYOZYQVUBMWFQM-QMMMGPOBSA-N -1 1 373.300 2.376 20 5 FEBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000515531744 562014377 /nfs/dbraw/zinc/01/43/77/562014377.db2.gz RNQXLQUBPYWPDW-UHFFFAOYSA-N -1 1 374.378 2.249 20 5 FEBDMM COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000520471500 562157185 /nfs/dbraw/zinc/15/71/85/562157185.db2.gz HXOGGIDWTHTURQ-UHFFFAOYSA-N -1 1 361.354 2.075 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(-c3cccnc3)n2)c1 ZINC000374559191 557899758 /nfs/dbraw/zinc/89/97/58/557899758.db2.gz FFBNITPPOCKBHS-UHFFFAOYSA-N -1 1 354.326 2.222 20 5 FEBDMM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392726948 558618552 /nfs/dbraw/zinc/61/85/52/558618552.db2.gz SWBPUVJWSUKPFY-RISCZKNCSA-N -1 1 360.363 2.046 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000525349621 562246327 /nfs/dbraw/zinc/24/63/27/562246327.db2.gz PRBZFAHXCHXEJZ-UHFFFAOYSA-N -1 1 355.310 2.213 20 5 FEBDMM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000525688258 562252192 /nfs/dbraw/zinc/25/21/92/562252192.db2.gz DZXYSCTXVGBPAB-UHFFFAOYSA-N -1 1 370.456 2.265 20 5 FEBDMM CSCc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525835954 562256623 /nfs/dbraw/zinc/25/66/23/562256623.db2.gz UVCQBZHRRJGEEA-UHFFFAOYSA-N -1 1 353.425 2.331 20 5 FEBDMM C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421927781 559556961 /nfs/dbraw/zinc/55/69/61/559556961.db2.gz SMTJTIDHQRPVAG-ZYHUDNBSSA-N -1 1 365.386 2.278 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000435803342 559930365 /nfs/dbraw/zinc/93/03/65/559930365.db2.gz FFPOAPKZYHAKBJ-CYBMUJFWSA-N -1 1 368.415 2.249 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000435809638 559930525 /nfs/dbraw/zinc/93/05/25/559930525.db2.gz QFLRFZROXMWHKF-AWEZNQCLSA-N -1 1 352.416 2.487 20 5 FEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000436501679 559943266 /nfs/dbraw/zinc/94/32/66/559943266.db2.gz ADANYTGMPBQYQB-UHFFFAOYSA-N -1 1 374.305 2.126 20 5 FEBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443327926 560080170 /nfs/dbraw/zinc/08/01/70/560080170.db2.gz OOJAYKFYESMFCL-VHSXEESVSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)s1 ZINC000443743865 560091565 /nfs/dbraw/zinc/09/15/65/560091565.db2.gz KDCHPIHHRMPJBF-UHFFFAOYSA-N -1 1 352.397 2.054 20 5 FEBDMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007020 560126520 /nfs/dbraw/zinc/12/65/20/560126520.db2.gz IEJMMIOMEZIAAV-LBPRGKRZSA-N -1 1 373.365 2.147 20 5 FEBDMM COC(=O)c1cc(C)nc([N-]c2cnn([C@@H]3CCOC3)c2C)c1[N+](=O)[O-] ZINC000450789490 560273337 /nfs/dbraw/zinc/27/33/37/560273337.db2.gz GAHQZSYKWCIUHB-LLVKDONJSA-N -1 1 361.358 2.295 20 5 FEBDMM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451868104 560333428 /nfs/dbraw/zinc/33/34/28/560333428.db2.gz YGBSPNUBPNPYHB-ZJUUUORDSA-N -1 1 362.429 2.057 20 5 FEBDMM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000470693316 560987656 /nfs/dbraw/zinc/98/76/56/560987656.db2.gz KTWOOORRTRKXMQ-UHFFFAOYSA-N -1 1 373.387 2.298 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000472310475 561023976 /nfs/dbraw/zinc/02/39/76/561023976.db2.gz BGCVQAAIFJXPFZ-UHFFFAOYSA-N -1 1 356.791 2.034 20 5 FEBDMM COC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000569481031 568403081 /nfs/dbraw/zinc/40/30/81/568403081.db2.gz ZDMHQTMKYUXYTO-UHFFFAOYSA-N -1 1 357.282 2.012 20 5 FEBDMM CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547876977 597146187 /nfs/dbraw/zinc/14/61/87/597146187.db2.gz SPUFOLRUFACAFA-SSDOTTSWSA-N -1 1 357.171 2.043 20 5 FEBDMM O=[N+]([O-])c1ccc(Oc2nccnc2-c2nn[n-]n2)c(Br)c1 ZINC000738366735 599531000 /nfs/dbraw/zinc/53/10/00/599531000.db2.gz JGPYXHMLFXQXPU-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)cc1-c1nnn[n-]1 ZINC000826498577 607451223 /nfs/dbraw/zinc/45/12/23/607451223.db2.gz BEFNFADTPFPQIB-INIZCTEOSA-N -1 1 370.344 2.492 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000826498577 607451224 /nfs/dbraw/zinc/45/12/24/607451224.db2.gz BEFNFADTPFPQIB-INIZCTEOSA-N -1 1 370.344 2.492 20 5 FEBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2)cc([N+](=O)[O-])c1 ZINC000833301347 600690180 /nfs/dbraw/zinc/69/01/80/600690180.db2.gz XHRKRMYEAQGKDV-UHFFFAOYSA-N -1 1 357.731 2.142 20 5 FEBDMM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829161073 601270659 /nfs/dbraw/zinc/27/06/59/601270659.db2.gz MMYIZMXVJOFBIX-LSDHHAIUSA-N -1 1 361.398 2.382 20 5 FEBDMM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826498703 607549817 /nfs/dbraw/zinc/54/98/17/607549817.db2.gz GCYJRUZNCCLODI-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826498703 607549818 /nfs/dbraw/zinc/54/98/18/607549818.db2.gz GCYJRUZNCCLODI-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM O=C([O-])NCC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000740644738 602374085 /nfs/dbraw/zinc/37/40/85/602374085.db2.gz ARFVGRZHRCNGOB-UHFFFAOYSA-N -1 1 359.386 2.395 20 5 FEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCNC(=O)[O-] ZINC000738633290 603251692 /nfs/dbraw/zinc/25/16/92/603251692.db2.gz XOTYOZJPQVOQFV-SECBINFHSA-N -1 1 358.782 2.165 20 5 FEBDMM COc1ccc(OCCN2CCC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500008 604044907 /nfs/dbraw/zinc/04/49/07/604044907.db2.gz DXZYIOILKUVEQZ-GFCCVEGCSA-N -1 1 353.375 2.056 20 5 FEBDMM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000810114844 674532981 /nfs/dbraw/zinc/53/29/81/674532981.db2.gz LWOVBFWOYBFXSA-LBPRGKRZSA-N -1 1 366.370 2.324 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823436361 606649032 /nfs/dbraw/zinc/64/90/32/606649032.db2.gz RKMWYSVBUDLVLL-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823436361 606649033 /nfs/dbraw/zinc/64/90/33/606649033.db2.gz RKMWYSVBUDLVLL-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM CN(CCCOc1ccc(F)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821600570 606698299 /nfs/dbraw/zinc/69/82/99/606698299.db2.gz STLVKZDTLCIUGL-UHFFFAOYSA-N -1 1 373.348 2.214 20 5 FEBDMM CN(CCCOc1ccc(F)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821600570 606698301 /nfs/dbraw/zinc/69/83/01/606698301.db2.gz STLVKZDTLCIUGL-UHFFFAOYSA-N -1 1 373.348 2.214 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccc(Cl)c1 ZINC000823625137 606698971 /nfs/dbraw/zinc/69/89/71/606698971.db2.gz QGUJUFQABYZZJY-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccc(Cl)c1 ZINC000823625137 606698972 /nfs/dbraw/zinc/69/89/72/606698972.db2.gz QGUJUFQABYZZJY-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM COc1cc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1C ZINC000821712952 606712514 /nfs/dbraw/zinc/71/25/14/606712514.db2.gz PBEIBKXQRVMNAY-UHFFFAOYSA-N -1 1 355.358 2.142 20 5 FEBDMM COc1cc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1C ZINC000821712952 606712516 /nfs/dbraw/zinc/71/25/16/606712516.db2.gz PBEIBKXQRVMNAY-UHFFFAOYSA-N -1 1 355.358 2.142 20 5 FEBDMM C[C@@H](COCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820289021 606713338 /nfs/dbraw/zinc/71/33/38/606713338.db2.gz ZTJHDJQVVUOWLW-NSHDSACASA-N -1 1 355.358 2.187 20 5 FEBDMM C[C@@H](COCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820289021 606713339 /nfs/dbraw/zinc/71/33/39/606713339.db2.gz ZTJHDJQVVUOWLW-NSHDSACASA-N -1 1 355.358 2.187 20 5 FEBDMM O=c1ccc2ccc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2o1 ZINC000823665493 607162186 /nfs/dbraw/zinc/16/21/86/607162186.db2.gz MFOMWUXBJQPUCZ-UHFFFAOYSA-N -1 1 352.266 2.069 20 5 FEBDMM O=c1ccc2ccc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2o1 ZINC000823665493 607162187 /nfs/dbraw/zinc/16/21/87/607162187.db2.gz MFOMWUXBJQPUCZ-UHFFFAOYSA-N -1 1 352.266 2.069 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000826500336 607937856 /nfs/dbraw/zinc/93/78/56/607937856.db2.gz ULEBRUABIWSWCW-UHFFFAOYSA-N -1 1 374.364 2.281 20 5 FEBDMM O=[N+]([O-])c1cccc2c1CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000826500336 607937857 /nfs/dbraw/zinc/93/78/57/607937857.db2.gz ULEBRUABIWSWCW-UHFFFAOYSA-N -1 1 374.364 2.281 20 5 FEBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(Br)c1 ZINC000826499799 608422039 /nfs/dbraw/zinc/42/20/39/608422039.db2.gz XZOTWGDDAOFVTQ-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Br)c1 ZINC000826499799 608422041 /nfs/dbraw/zinc/42/20/41/608422041.db2.gz XZOTWGDDAOFVTQ-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM Cc1nc2c(s1)[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000826328403 609565943 /nfs/dbraw/zinc/56/59/43/609565943.db2.gz QENIVHWADZUHEI-JTQLQIEISA-N -1 1 358.387 2.424 20 5 FEBDMM Cc1nc2c(s1)[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000826328403 609565946 /nfs/dbraw/zinc/56/59/46/609565946.db2.gz QENIVHWADZUHEI-JTQLQIEISA-N -1 1 358.387 2.424 20 5 FEBDMM COc1ccc2c(c1)CC[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000826212578 609590307 /nfs/dbraw/zinc/59/03/07/609590307.db2.gz UTZYQHLUZAYILD-GFCCVEGCSA-N -1 1 367.369 2.148 20 5 FEBDMM COc1ccc2c(c1)CC[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000826212578 609590309 /nfs/dbraw/zinc/59/03/09/609590309.db2.gz UTZYQHLUZAYILD-GFCCVEGCSA-N -1 1 367.369 2.148 20 5 FEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815012097 674895835 /nfs/dbraw/zinc/89/58/35/674895835.db2.gz DAXUBBQHYHWOEM-LBPRGKRZSA-N -1 1 352.771 2.092 20 5 FEBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017016 674897241 /nfs/dbraw/zinc/89/72/41/674897241.db2.gz CZJNDFBGZFVDOW-CPCISQLKSA-N -1 1 354.787 2.073 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC000815018675 674898457 /nfs/dbraw/zinc/89/84/57/674898457.db2.gz XTSAEWCYOQBEFB-DTWKUNHWSA-N -1 1 366.798 2.217 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000815079025 674913486 /nfs/dbraw/zinc/91/34/86/674913486.db2.gz KWDVAXQBFSWTFU-NSHDSACASA-N -1 1 352.771 2.091 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000564136843 674976578 /nfs/dbraw/zinc/97/65/78/674976578.db2.gz IJANNZMHXDAKGB-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841559685 680897842 /nfs/dbraw/zinc/89/78/42/680897842.db2.gz DZKPIHAKZHVKQY-ZWNOBZJWSA-N -1 1 368.814 2.461 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3C)C2)c([N+](=O)[O-])n1 ZINC000581636768 671920185 /nfs/dbraw/zinc/92/01/85/671920185.db2.gz PNLXVLQFVVRGBH-JOCQHMNTSA-N -1 1 364.427 2.344 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])COCc1ccccc1 ZINC000610261633 675961825 /nfs/dbraw/zinc/96/18/25/675961825.db2.gz AGXAYKUPOOPEBC-CYBMUJFWSA-N -1 1 365.411 2.121 20 5 FEBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1 ZINC000610264025 675962398 /nfs/dbraw/zinc/96/23/98/675962398.db2.gz JFQCMIPMYYGCEI-UHFFFAOYSA-N -1 1 351.384 2.126 20 5 FEBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000584085692 672154146 /nfs/dbraw/zinc/15/41/46/672154146.db2.gz UQVCJRKWEXMERS-GFCCVEGCSA-N -1 1 351.746 2.466 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000173388135 672350595 /nfs/dbraw/zinc/35/05/95/672350595.db2.gz ABMHETNTYVBCHC-OLZOCXBDSA-N -1 1 358.391 2.360 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000181066362 672421588 /nfs/dbraw/zinc/42/15/88/672421588.db2.gz QRAPGRBOSSVISH-UHFFFAOYSA-N -1 1 371.321 2.497 20 5 FEBDMM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611342990 676033342 /nfs/dbraw/zinc/03/33/42/676033342.db2.gz OCYLKIXCNLQADO-UHFFFAOYSA-N -1 1 364.445 2.447 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000313503621 673030205 /nfs/dbraw/zinc/03/02/05/673030205.db2.gz JGZYVVYMMKEDQH-SECBINFHSA-N -1 1 367.221 2.061 20 5 FEBDMM Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000594859159 673167262 /nfs/dbraw/zinc/16/72/62/673167262.db2.gz BFKQVEXQXNFQGE-NEPJUHHUSA-N -1 1 370.456 2.080 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595413771 673246723 /nfs/dbraw/zinc/24/67/23/673246723.db2.gz HIXZRHXFRUSOHZ-LLVKDONJSA-N -1 1 363.395 2.354 20 5 FEBDMM O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597854150 673513560 /nfs/dbraw/zinc/51/35/60/673513560.db2.gz XQJXSEVSPJIVLN-ZDUSSCGKSA-N -1 1 363.395 2.391 20 5 FEBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000539949646 673515328 /nfs/dbraw/zinc/51/53/28/673515328.db2.gz CMAXZICTKPBGAV-UHTWSYAYSA-N -1 1 357.432 2.108 20 5 FEBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000544182975 673696400 /nfs/dbraw/zinc/69/64/00/673696400.db2.gz ACUHRPVONVQXQG-DTWKUNHWSA-N -1 1 364.807 2.114 20 5 FEBDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000545381573 673764695 /nfs/dbraw/zinc/76/46/95/673764695.db2.gz NRONJYMJFRTPTH-UHFFFAOYSA-N -1 1 368.342 2.462 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000546780413 673818210 /nfs/dbraw/zinc/81/82/10/673818210.db2.gz DGOGVZYYRXEERX-ZCFIWIBFSA-N -1 1 362.820 2.448 20 5 FEBDMM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548262223 673944401 /nfs/dbraw/zinc/94/44/01/673944401.db2.gz JAVDVEOKDHWATK-KOLCDFICSA-N -1 1 362.379 2.292 20 5 FEBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000760429178 680687151 /nfs/dbraw/zinc/68/71/51/680687151.db2.gz CPVQQIOWUMOPEP-VIFPVBQESA-N -1 1 364.807 2.258 20 5 FEBDMM CO[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000618383158 676338153 /nfs/dbraw/zinc/33/81/53/676338153.db2.gz HLOJJQCHEPAWOQ-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)C2CC2)c1Cl ZINC000830664532 677053187 /nfs/dbraw/zinc/05/31/87/677053187.db2.gz RTBFKVAXMWJDLF-SECBINFHSA-N -1 1 369.226 2.341 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000830818990 677063177 /nfs/dbraw/zinc/06/31/77/677063177.db2.gz ZAHOUKYCTUUULQ-SSDOTTSWSA-N -1 1 371.198 2.132 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](C)O ZINC000832308401 680121961 /nfs/dbraw/zinc/12/19/61/680121961.db2.gz CNIQGQURTDMWDT-MUWHJKNJSA-N -1 1 357.215 2.339 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751488100 680182075 /nfs/dbraw/zinc/18/20/75/680182075.db2.gz QSSTUMKALHOOKM-BJOHPYRUSA-N -1 1 372.349 2.273 20 5 FEBDMM Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000768220473 680941016 /nfs/dbraw/zinc/94/10/16/680941016.db2.gz PQOZYQKLDXQSGB-UHFFFAOYSA-N -1 1 351.794 2.010 20 5 FEBDMM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768846518 680961154 /nfs/dbraw/zinc/96/11/54/680961154.db2.gz KNLCMSOYGDDISS-ZDUSSCGKSA-N -1 1 372.424 2.067 20 5 FEBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CO1 ZINC000849412044 681720043 /nfs/dbraw/zinc/72/00/43/681720043.db2.gz CMZMIIVVHAROOM-ZETCQYMHSA-N -1 1 352.771 2.233 20 5 FEBDMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784478384 682231363 /nfs/dbraw/zinc/23/13/63/682231363.db2.gz BLNNQAFPPHAXIT-IUCAKERBSA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854341974 682539499 /nfs/dbraw/zinc/53/94/99/682539499.db2.gz CCIXZJGDMNERQB-UHFFFAOYSA-N -1 1 350.306 2.151 20 5 FEBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047695 682651621 /nfs/dbraw/zinc/65/16/21/682651621.db2.gz MZYDZVUYEDWSAG-QMMMGPOBSA-N -1 1 368.781 2.220 20 5 FEBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859340370 683087194 /nfs/dbraw/zinc/08/71/94/683087194.db2.gz FKJHKEQCAQRMNY-WEJSYRTGSA-N -1 1 366.798 2.478 20 5 FEBDMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000921498851 683485759 /nfs/dbraw/zinc/48/57/59/683485759.db2.gz NOLBORFIDCLOJR-SVRRBLITSA-N -1 1 355.199 2.215 20 5 FEBDMM COC[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923263745 684251676 /nfs/dbraw/zinc/25/16/76/684251676.db2.gz HTAXMOQCVJWXFB-AWEZNQCLSA-N -1 1 373.203 2.280 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCOCC1 ZINC000867882249 684417286 /nfs/dbraw/zinc/41/72/86/684417286.db2.gz TZPYNWSLMUCSQI-CMPLNLGQSA-N -1 1 360.819 2.342 20 5 FEBDMM C[C@@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000610847830 939808496 /nfs/dbraw/zinc/80/84/96/939808496.db2.gz WLIXNSCGWXQFFK-KRWDZBQOSA-N -1 1 354.322 2.201 20 5 FEBDMM CCNc1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000003539416 539369994 /nfs/dbraw/zinc/36/99/94/539369994.db2.gz YWSKDIQSZBWZPS-SNVBAGLBSA-N -1 1 356.791 2.184 20 5 FEBDMM CN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028812884 539837796 /nfs/dbraw/zinc/83/77/96/539837796.db2.gz WBUPAVAKKAEZTD-UHFFFAOYSA-N -1 1 366.171 2.318 20 5 FEBDMM O=C(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OC1CCCCC1 ZINC000800971107 674095623 /nfs/dbraw/zinc/09/56/23/674095623.db2.gz YQVCUEXFWRGLFZ-UHFFFAOYSA-N -1 1 374.390 2.278 20 5 FEBDMM CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000068300467 541573684 /nfs/dbraw/zinc/57/36/84/541573684.db2.gz QQKDVAYWCSFJRZ-UHFFFAOYSA-N -1 1 366.351 2.278 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c([N+](=O)[O-])c1 ZINC000071092129 541763487 /nfs/dbraw/zinc/76/34/87/541763487.db2.gz XBZHRNUXLHZBLX-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000022514507 220388442 /nfs/dbraw/zinc/38/84/42/220388442.db2.gz UNSXYQHSKJDLTQ-UHFFFAOYSA-N -1 1 363.395 2.406 20 5 FEBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000097099950 543004210 /nfs/dbraw/zinc/00/42/10/543004210.db2.gz XFWLUCPCGLRDRG-UHFFFAOYSA-N -1 1 373.413 2.126 20 5 FEBDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000012068307 324371925 /nfs/dbraw/zinc/37/19/25/324371925.db2.gz HQQONNOXNOXUPI-UHFFFAOYSA-N -1 1 361.379 2.305 20 5 FEBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000119433838 326161680 /nfs/dbraw/zinc/16/16/80/326161680.db2.gz BVQAFNXKXQWYEQ-LBPRGKRZSA-N -1 1 357.370 2.316 20 5 FEBDMM CN(Cc1ccc(Br)o1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121790133 326367419 /nfs/dbraw/zinc/36/74/19/326367419.db2.gz QTFIFGXETTUUDW-UHFFFAOYSA-N -1 1 356.132 2.323 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000175346887 327388356 /nfs/dbraw/zinc/38/83/56/327388356.db2.gz PHAGYUZJJXHDQH-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159835644 545984754 /nfs/dbraw/zinc/98/47/54/545984754.db2.gz NZFHNTGPSQQSDJ-QMMMGPOBSA-N -1 1 357.363 2.248 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(OCCCOc2ccccc2)C1 ZINC000480265842 561206020 /nfs/dbraw/zinc/20/60/20/561206020.db2.gz PCCITCJDCMVIMF-UHFFFAOYSA-N -1 1 373.365 2.006 20 5 FEBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000181090416 547248700 /nfs/dbraw/zinc/24/87/00/547248700.db2.gz YZEQWWOGVAUPKN-UHFFFAOYSA-N -1 1 367.358 2.287 20 5 FEBDMM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485360691 561317463 /nfs/dbraw/zinc/31/74/63/561317463.db2.gz IXQFFVVETDNKNC-CABCVRRESA-N -1 1 361.329 2.485 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185508809 547995505 /nfs/dbraw/zinc/99/55/05/547995505.db2.gz OHBXJACMHBZHNF-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM CC(C)(CO)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000185878580 548049665 /nfs/dbraw/zinc/04/96/65/548049665.db2.gz VSYRAQAGQMLSOL-AWEZNQCLSA-N -1 1 359.382 2.228 20 5 FEBDMM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248486720 549449169 /nfs/dbraw/zinc/44/91/69/549449169.db2.gz FSXYVMSVNUOXDA-XJKSGUPXSA-N -1 1 370.409 2.336 20 5 FEBDMM COc1ccccc1-c1nc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000269481256 550200595 /nfs/dbraw/zinc/20/05/95/550200595.db2.gz WAVWLLZRAGERNT-UHFFFAOYSA-N -1 1 371.357 2.487 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)ccc1[N+](=O)[O-] ZINC000272424340 550446896 /nfs/dbraw/zinc/44/68/96/550446896.db2.gz IIUDZNYNCPLCED-UHFFFAOYSA-N -1 1 362.314 2.373 20 5 FEBDMM Cc1ccnc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000272829257 550472639 /nfs/dbraw/zinc/47/26/39/550472639.db2.gz LSDODMBLTMRCMG-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000278031532 550741226 /nfs/dbraw/zinc/74/12/26/550741226.db2.gz KCQGIEPVFDHFJZ-CYBMUJFWSA-N -1 1 367.365 2.350 20 5 FEBDMM Cc1cnccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000278483230 550791083 /nfs/dbraw/zinc/79/10/83/550791083.db2.gz JQCJLCUYGVKWKS-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM C[C@@H](CCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279567327 550903853 /nfs/dbraw/zinc/90/38/53/550903853.db2.gz YHUZUCQUZHNWMW-ZETCQYMHSA-N -1 1 357.215 2.341 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000287835978 552052927 /nfs/dbraw/zinc/05/29/27/552052927.db2.gz KZANBIBKLBAKEW-BZUAXINKSA-N -1 1 369.377 2.340 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CCOCC2)cc1Cl ZINC000289381047 552311600 /nfs/dbraw/zinc/31/16/00/552311600.db2.gz NPOVDLPTWYNMHO-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCCO)c(Cl)cc1Cl ZINC000289660527 552357752 /nfs/dbraw/zinc/35/77/52/552357752.db2.gz BMGXQZGEFOCSLN-UHFFFAOYSA-N -1 1 357.215 2.343 20 5 FEBDMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290709477 552524247 /nfs/dbraw/zinc/52/42/47/552524247.db2.gz JHEUXFDJLPFRDG-RQJHMYQMSA-N -1 1 357.215 2.197 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(CO)CCC2)c(Cl)cc1Cl ZINC000290779611 552536792 /nfs/dbraw/zinc/53/67/92/552536792.db2.gz PGTYNOJASUYULC-UHFFFAOYSA-N -1 1 355.199 2.095 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)cc1Cl ZINC000290865669 552552109 /nfs/dbraw/zinc/55/21/09/552552109.db2.gz XRCNLDWJURHYCC-KYZUINATSA-N -1 1 366.798 2.217 20 5 FEBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295281918 552981094 /nfs/dbraw/zinc/98/10/94/552981094.db2.gz MRVGBZJIEMQYQX-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000296206834 553122339 /nfs/dbraw/zinc/12/23/39/553122339.db2.gz NCKJRNMSJMMUAB-MRVPVSSYSA-N -1 1 374.312 2.370 20 5 FEBDMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299312269 553546468 /nfs/dbraw/zinc/54/64/68/553546468.db2.gz UBXAFCGSSMTKKS-UHFFFAOYSA-N -1 1 358.354 2.420 20 5 FEBDMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319774330 553764186 /nfs/dbraw/zinc/76/41/86/553764186.db2.gz FZKXSLWNJWOBIA-JTQLQIEISA-N -1 1 364.807 2.114 20 5 FEBDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000325703765 553777793 /nfs/dbraw/zinc/77/77/93/553777793.db2.gz JUMGBLOLMHCMTR-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1[N+](=O)[O-] ZINC000326137098 553779169 /nfs/dbraw/zinc/77/91/69/553779169.db2.gz JIHLCZAZLOJSCQ-UHFFFAOYSA-N -1 1 372.380 2.472 20 5 FEBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000530617308 562417944 /nfs/dbraw/zinc/41/79/44/562417944.db2.gz OGWFBUBTLDSCQI-UHFFFAOYSA-N -1 1 362.429 2.201 20 5 FEBDMM Cn1cc(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000366888007 555960893 /nfs/dbraw/zinc/96/08/93/555960893.db2.gz RILILBMJELMNHM-UHFFFAOYSA-N -1 1 353.338 2.026 20 5 FEBDMM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367575192 556087503 /nfs/dbraw/zinc/08/75/03/556087503.db2.gz ZWDBDNYBWDKUOX-UHFFFAOYSA-N -1 1 356.382 2.090 20 5 FEBDMM O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000516020435 562028306 /nfs/dbraw/zinc/02/83/06/562028306.db2.gz AAGJCZWOUDOWQS-JTQLQIEISA-N -1 1 369.337 2.251 20 5 FEBDMM O=C([N-][C@H]1COc2ccccc2C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371536454 557214260 /nfs/dbraw/zinc/21/42/60/557214260.db2.gz FJQAHYJESSACKD-ZDUSSCGKSA-N -1 1 362.288 2.447 20 5 FEBDMM CN(C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000373113066 557631348 /nfs/dbraw/zinc/63/13/48/557631348.db2.gz RJCNEHFBECELOD-HNNXBMFYSA-N -1 1 356.382 2.436 20 5 FEBDMM COc1ccc(-c2n[nH]c(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])n2)cc1 ZINC000375625000 558058577 /nfs/dbraw/zinc/05/85/77/558058577.db2.gz RNWRHYRGJLYOFQ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM COc1ccc(-c2nc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000375625000 558058578 /nfs/dbraw/zinc/05/85/78/558058578.db2.gz RNWRHYRGJLYOFQ-UHFFFAOYSA-N -1 1 369.337 2.024 20 5 FEBDMM Cc1csc(Sc2ccc(C(=O)Nc3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000522927981 562206259 /nfs/dbraw/zinc/20/62/59/562206259.db2.gz NKZJWWLARLWSEC-UHFFFAOYSA-N -1 1 363.384 2.276 20 5 FEBDMM Cc1csc(Sc2ccc(C(=O)Nc3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000522927981 562206260 /nfs/dbraw/zinc/20/62/60/562206260.db2.gz NKZJWWLARLWSEC-UHFFFAOYSA-N -1 1 363.384 2.276 20 5 FEBDMM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(Cc2ccncc2)CC1 ZINC000378537812 558578050 /nfs/dbraw/zinc/57/80/50/558578050.db2.gz FTHIHVCXLQMSIP-UHFFFAOYSA-N -1 1 370.409 2.432 20 5 FEBDMM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000392726946 558618593 /nfs/dbraw/zinc/61/85/93/558618593.db2.gz SWBPUVJWSUKPFY-BXUZGUMPSA-N -1 1 360.363 2.046 20 5 FEBDMM O=C([O-])c1cccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1F ZINC000392705252 558618662 /nfs/dbraw/zinc/61/86/62/558618662.db2.gz HYPZCRBRPAGILJ-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM O=c1[n-]nc(C2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)o1 ZINC000413288821 559095946 /nfs/dbraw/zinc/09/59/46/559095946.db2.gz WUPKPGNWEBSNEF-UHFFFAOYSA-N -1 1 359.264 2.481 20 5 FEBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293571 559694938 /nfs/dbraw/zinc/69/49/38/559694938.db2.gz CASILEAFAHVPMH-GFCCVEGCSA-N -1 1 371.353 2.044 20 5 FEBDMM CC(C)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1[N+](=O)[O-] ZINC000425301951 559695583 /nfs/dbraw/zinc/69/55/83/559695583.db2.gz MTEIJESJDMWBPQ-NSHDSACASA-N -1 1 360.370 2.367 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)c([N+](=O)[O-])n1 ZINC000451595284 560316500 /nfs/dbraw/zinc/31/65/00/560316500.db2.gz WFMYANMFYOHFPE-ZDUSSCGKSA-N -1 1 368.390 2.306 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)s1 ZINC000451896888 560335498 /nfs/dbraw/zinc/33/54/98/560335498.db2.gz GXDZXQPWRKQBQL-NEPJUHHUSA-N -1 1 369.424 2.250 20 5 FEBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452029905 560346616 /nfs/dbraw/zinc/34/66/16/560346616.db2.gz FJSWOQRVCBJTCX-UHFFFAOYSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)c1 ZINC000468839816 560940183 /nfs/dbraw/zinc/94/01/83/560940183.db2.gz GZZIDFXTRIANLJ-KRWDZBQOSA-N -1 1 359.382 2.342 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000472686022 561033024 /nfs/dbraw/zinc/03/30/24/561033024.db2.gz MZTVUUSDWXCREJ-SNVBAGLBSA-N -1 1 362.816 2.322 20 5 FEBDMM Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccc(F)cc21 ZINC000474924403 561085608 /nfs/dbraw/zinc/08/56/08/561085608.db2.gz GRAXCCVGYRWUAO-UHFFFAOYSA-N -1 1 358.329 2.299 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2SC)c([N+](=O)[O-])n1 ZINC000533634950 562514836 /nfs/dbraw/zinc/51/48/36/562514836.db2.gz AEBZHPKGLWXSHH-UHFFFAOYSA-N -1 1 374.419 2.151 20 5 FEBDMM O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000568402377 568030558 /nfs/dbraw/zinc/03/05/58/568030558.db2.gz DZLGCMKUNSDQTE-UHFFFAOYSA-N -1 1 372.303 2.397 20 5 FEBDMM COc1ccccc1[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)C ZINC000570048413 568443348 /nfs/dbraw/zinc/44/33/48/568443348.db2.gz TUZDZZBYBIOTML-CYBMUJFWSA-N -1 1 360.370 2.411 20 5 FEBDMM O=C(CN(C1CC1)C1CCN(C(=O)[O-])CC1)Nc1ccccc1[N+](=O)[O-] ZINC000740363642 601934410 /nfs/dbraw/zinc/93/44/10/601934410.db2.gz CSTZTJDQJRXAAT-UHFFFAOYSA-N -1 1 362.386 2.140 20 5 FEBDMM COc1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000832097690 602308059 /nfs/dbraw/zinc/30/80/59/602308059.db2.gz JGTIOSXHHQUYBR-UHFFFAOYSA-N -1 1 372.380 2.472 20 5 FEBDMM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826420902 607595046 /nfs/dbraw/zinc/59/50/46/607595046.db2.gz IGEBCVXCJFFOBJ-UHFFFAOYSA-N -1 1 372.366 2.005 20 5 FEBDMM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826420902 607595048 /nfs/dbraw/zinc/59/50/48/607595048.db2.gz IGEBCVXCJFFOBJ-UHFFFAOYSA-N -1 1 372.366 2.005 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000809833769 674514557 /nfs/dbraw/zinc/51/45/57/674514557.db2.gz YOTPNFSDTWEPNV-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C([O-])N1CCC2(CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000834092036 605863777 /nfs/dbraw/zinc/86/37/77/605863777.db2.gz OJRZKUUKOZTJIU-UHFFFAOYSA-N -1 1 359.386 2.368 20 5 FEBDMM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000823634982 606645183 /nfs/dbraw/zinc/64/51/83/606645183.db2.gz PDOSMYUYFSJMKH-INIZCTEOSA-N -1 1 352.354 2.353 20 5 FEBDMM CCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476140 606652562 /nfs/dbraw/zinc/65/25/62/606652562.db2.gz JOGNKYFYDQPQEX-UHFFFAOYSA-N -1 1 354.326 2.089 20 5 FEBDMM CCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476140 606652563 /nfs/dbraw/zinc/65/25/63/606652563.db2.gz JOGNKYFYDQPQEX-UHFFFAOYSA-N -1 1 354.326 2.089 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1N1CCCC1 ZINC000823625605 606702714 /nfs/dbraw/zinc/70/27/14/606702714.db2.gz ZMBQKENMLBWBQP-UHFFFAOYSA-N -1 1 366.385 2.382 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1N1CCCC1 ZINC000823625605 606702715 /nfs/dbraw/zinc/70/27/15/606702715.db2.gz ZMBQKENMLBWBQP-UHFFFAOYSA-N -1 1 366.385 2.382 20 5 FEBDMM Cc1cccc(O[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822328086 606714248 /nfs/dbraw/zinc/71/42/48/606714248.db2.gz LJRRMMWUSKSNGF-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM Cc1cccc(O[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822328086 606714250 /nfs/dbraw/zinc/71/42/50/606714250.db2.gz LJRRMMWUSKSNGF-LLVKDONJSA-N -1 1 355.358 2.358 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(c1)OCCCO2 ZINC000823625438 607163344 /nfs/dbraw/zinc/16/33/44/607163344.db2.gz VEYWEOJWBZGFAD-UHFFFAOYSA-N -1 1 355.314 2.075 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(c1)OCCCO2 ZINC000823625438 607163345 /nfs/dbraw/zinc/16/33/45/607163345.db2.gz VEYWEOJWBZGFAD-UHFFFAOYSA-N -1 1 355.314 2.075 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OC(F)F ZINC000823624727 607166795 /nfs/dbraw/zinc/16/67/95/607166795.db2.gz HHWXUCSLYOCEKR-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1OC(F)F ZINC000823624727 607166796 /nfs/dbraw/zinc/16/67/96/607166796.db2.gz HHWXUCSLYOCEKR-UHFFFAOYSA-N -1 1 363.284 2.383 20 5 FEBDMM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826333694 607842107 /nfs/dbraw/zinc/84/21/07/607842107.db2.gz RGSKGAGYJBKHRI-OAHLLOKOSA-N -1 1 368.401 2.467 20 5 FEBDMM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826333694 607842108 /nfs/dbraw/zinc/84/21/08/607842108.db2.gz RGSKGAGYJBKHRI-OAHLLOKOSA-N -1 1 368.401 2.467 20 5 FEBDMM COC(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815001656 674894668 /nfs/dbraw/zinc/89/46/68/674894668.db2.gz SPXXJEPMWPHMIJ-UHFFFAOYSA-N -1 1 368.770 2.009 20 5 FEBDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018825 674898610 /nfs/dbraw/zinc/89/86/10/674898610.db2.gz CDWBZGDZWFITPB-VIFPVBQESA-N -1 1 368.814 2.464 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000815018886 674898623 /nfs/dbraw/zinc/89/86/23/674898623.db2.gz ANPKNVJUNCHBGW-PELKAZGASA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1F ZINC000815040734 674905551 /nfs/dbraw/zinc/90/55/51/674905551.db2.gz BNIDHJPCADATPH-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000012880280 670004226 /nfs/dbraw/zinc/00/42/26/670004226.db2.gz IDGVTSZMUYHRAN-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000060486789 670385990 /nfs/dbraw/zinc/38/59/90/670385990.db2.gz ZBFKGCGXUMZYGY-UHFFFAOYSA-N -1 1 368.758 2.219 20 5 FEBDMM COc1cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1Cl ZINC000575005713 671292370 /nfs/dbraw/zinc/29/23/70/671292370.db2.gz VINIXVAGXOBCPY-UHFFFAOYSA-N -1 1 371.802 2.173 20 5 FEBDMM CS(=O)(=O)[N-]c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000576748197 671391646 /nfs/dbraw/zinc/39/16/46/671391646.db2.gz PBFQDWVALNVBGQ-UHFFFAOYSA-N -1 1 364.383 2.427 20 5 FEBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000118946979 671889347 /nfs/dbraw/zinc/88/93/47/671889347.db2.gz IJDJSJJKXXTEPT-HNNXBMFYSA-N -1 1 370.814 2.434 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccc(F)cc1 ZINC000119340663 671897434 /nfs/dbraw/zinc/89/74/34/671897434.db2.gz XLDWQGWYOQEFEW-ISVAXAHUSA-N -1 1 360.388 2.196 20 5 FEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])COCc1ccccc1 ZINC000610261634 675961937 /nfs/dbraw/zinc/96/19/37/675961937.db2.gz AGXAYKUPOOPEBC-ZDUSSCGKSA-N -1 1 365.411 2.121 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000610261770 675962222 /nfs/dbraw/zinc/96/22/22/675962222.db2.gz KKMUNHZTUVKUBZ-UHFFFAOYSA-N -1 1 351.359 2.487 20 5 FEBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178776254 672395138 /nfs/dbraw/zinc/39/51/38/672395138.db2.gz IHWMFNSUUVQAJK-JTQLQIEISA-N -1 1 350.824 2.324 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])n1 ZINC000611106039 676017650 /nfs/dbraw/zinc/01/76/50/676017650.db2.gz PJRHRAKYCGTOCD-VIFPVBQESA-N -1 1 358.445 2.091 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1n[nH]cc1Br ZINC000312392511 673028631 /nfs/dbraw/zinc/02/86/31/673028631.db2.gz OUBZCZPQTRVUCQ-UHFFFAOYSA-N -1 1 361.177 2.190 20 5 FEBDMM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594790269 673143478 /nfs/dbraw/zinc/14/34/78/673143478.db2.gz BWDWHWBCQWLMOS-CYBMUJFWSA-N -1 1 353.375 2.429 20 5 FEBDMM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793914 673145196 /nfs/dbraw/zinc/14/51/96/673145196.db2.gz WILQKPHUMSQQEJ-SNVBAGLBSA-N -1 1 361.851 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000595408980 673244901 /nfs/dbraw/zinc/24/49/01/673244901.db2.gz HCWFVIXARCUXDT-INIZCTEOSA-N -1 1 364.427 2.415 20 5 FEBDMM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538847374 673461692 /nfs/dbraw/zinc/46/16/92/673461692.db2.gz ICHIHNFBARBBNO-IINYFYTJSA-N -1 1 369.374 2.183 20 5 FEBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229663 673644757 /nfs/dbraw/zinc/64/47/57/673644757.db2.gz HKIZYRYDECXKIN-SNVBAGLBSA-N -1 1 370.456 2.480 20 5 FEBDMM CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000599280747 673653203 /nfs/dbraw/zinc/65/32/03/673653203.db2.gz KXOJJRNGNGVNRE-AWEZNQCLSA-N -1 1 364.427 2.418 20 5 FEBDMM CCOC1(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000600636203 673784330 /nfs/dbraw/zinc/78/43/30/673784330.db2.gz QGXVADXWUSMUTN-UHFFFAOYSA-N -1 1 358.416 2.231 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)c([N+](=O)[O-])n1 ZINC000546885355 673825798 /nfs/dbraw/zinc/82/57/98/673825798.db2.gz KJIPDIRBSHVYDZ-LBPRGKRZSA-N -1 1 352.416 2.468 20 5 FEBDMM COc1cc(CN(CC(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000566360447 675208034 /nfs/dbraw/zinc/20/80/34/675208034.db2.gz ZLCSHTLUHGNPIV-UHFFFAOYSA-N -1 1 360.313 2.296 20 5 FEBDMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000760773609 680700663 /nfs/dbraw/zinc/70/06/63/680700663.db2.gz SPCSMFZLFIMPJQ-CQSZACIVSA-N -1 1 364.741 2.207 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)s1 ZINC000762521170 680752183 /nfs/dbraw/zinc/75/21/83/680752183.db2.gz CFEROMCVOQEEPC-SOCHQFKDSA-N -1 1 366.511 2.314 20 5 FEBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832283496 680119863 /nfs/dbraw/zinc/11/98/63/680119863.db2.gz ADKGMDPVEFFQKZ-MWLCHTKSSA-N -1 1 352.771 2.233 20 5 FEBDMM Cn1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000768835946 680960405 /nfs/dbraw/zinc/96/04/05/680960405.db2.gz YGEPLKDTXRKWNT-UHFFFAOYSA-N -1 1 370.387 2.161 20 5 FEBDMM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841939 680960768 /nfs/dbraw/zinc/96/07/68/680960768.db2.gz KFZSFYCQSGEUDW-LBPRGKRZSA-N -1 1 370.408 2.467 20 5 FEBDMM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)n2C ZINC000768920879 680964987 /nfs/dbraw/zinc/96/49/87/680964987.db2.gz URVCZVWWLOGMQE-UHFFFAOYSA-N -1 1 366.424 2.330 20 5 FEBDMM CC(C)(C)OC(=O)N1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000846530742 681255394 /nfs/dbraw/zinc/25/53/94/681255394.db2.gz DLSMMBSIFHOGQT-UHFFFAOYSA-N -1 1 352.347 2.084 20 5 FEBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000776555750 681405045 /nfs/dbraw/zinc/40/50/45/681405045.db2.gz TVNAAUIEWVODCR-NSHDSACASA-N -1 1 374.390 2.293 20 5 FEBDMM CS(=O)(=O)Nc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780074618 681790081 /nfs/dbraw/zinc/79/00/81/681790081.db2.gz GZFGEMJOAWKNMR-UHFFFAOYSA-N -1 1 366.351 2.029 20 5 FEBDMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851854473 682163563 /nfs/dbraw/zinc/16/35/63/682163563.db2.gz SFKRAHZRLNWBHC-MRVPVSSYSA-N -1 1 366.798 2.481 20 5 FEBDMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000851854956 682164074 /nfs/dbraw/zinc/16/40/74/682164074.db2.gz XDQQTHNZEGSHJF-MRVPVSSYSA-N -1 1 366.798 2.481 20 5 FEBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccnn1C ZINC000788078497 682501741 /nfs/dbraw/zinc/50/17/41/682501741.db2.gz VTBISYBZUIIHRY-NSHDSACASA-N -1 1 370.406 2.186 20 5 FEBDMM COc1cc(OCC(=O)Nc2nc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000790051693 682652433 /nfs/dbraw/zinc/65/24/33/682652433.db2.gz QJDZKSUXYYEZDO-UHFFFAOYSA-N -1 1 353.718 2.375 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)cc1Cl ZINC000798227764 683325239 /nfs/dbraw/zinc/32/52/39/683325239.db2.gz XRCNLDWJURHYCC-DTORHVGOSA-N -1 1 366.798 2.217 20 5 FEBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228525 683325696 /nfs/dbraw/zinc/32/56/96/683325696.db2.gz METFLDOUEIMEDK-WRWORJQWSA-N -1 1 354.787 2.073 20 5 FEBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228937 683325708 /nfs/dbraw/zinc/32/57/08/683325708.db2.gz SXNIJSKJBWGQOJ-QMMMGPOBSA-N -1 1 368.814 2.463 20 5 FEBDMM O=C([N-]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000799022858 683414777 /nfs/dbraw/zinc/41/47/77/683414777.db2.gz RLLRUZOYQLAASP-UHFFFAOYSA-N -1 1 359.304 2.126 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000921857536 683596147 /nfs/dbraw/zinc/59/61/47/683596147.db2.gz WQXNHPMMCWOJRJ-BXUZGUMPSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C([N-]CC1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000866294079 684089757 /nfs/dbraw/zinc/08/97/57/684089757.db2.gz KLKXJHYUZVFWMB-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2 ZINC000867778168 684382257 /nfs/dbraw/zinc/38/22/57/684382257.db2.gz XDKPMXMQWZLIRE-NSHDSACASA-N -1 1 358.391 2.219 20 5 FEBDMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016496516 539632720 /nfs/dbraw/zinc/63/27/20/539632720.db2.gz RPDRAISXIYICDG-UHFFFAOYSA-N -1 1 358.354 2.023 20 5 FEBDMM O=C(NCc1ccc(Br)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025474030 539761275 /nfs/dbraw/zinc/76/12/75/539761275.db2.gz ZEXQJZBHALBOOL-UHFFFAOYSA-N -1 1 358.173 2.037 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1[N+](=O)[O-] ZINC000550793535 674110459 /nfs/dbraw/zinc/11/04/59/674110459.db2.gz PIFLTKWLGAKCGE-UHFFFAOYSA-N -1 1 350.278 2.446 20 5 FEBDMM Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000134311494 544302565 /nfs/dbraw/zinc/30/25/65/544302565.db2.gz QJASSVGNTXUKFA-UHFFFAOYSA-N -1 1 367.365 2.428 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000146966434 544443214 /nfs/dbraw/zinc/44/32/14/544443214.db2.gz BOLQCWRCKPIZST-UHFFFAOYSA-N -1 1 370.770 2.455 20 5 FEBDMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193833742 328397843 /nfs/dbraw/zinc/39/78/43/328397843.db2.gz JJGFIDNQZPIGAV-LBPRGKRZSA-N -1 1 362.773 2.358 20 5 FEBDMM C[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008177611 324361843 /nfs/dbraw/zinc/36/18/43/324361843.db2.gz TXRWKSVZUVWIRA-LLVKDONJSA-N -1 1 351.384 2.188 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)s1 ZINC000065795780 324879919 /nfs/dbraw/zinc/87/99/19/324879919.db2.gz VTPIQEDROVHLRN-UHFFFAOYSA-N -1 1 364.408 2.321 20 5 FEBDMM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000121311182 326329045 /nfs/dbraw/zinc/32/90/45/326329045.db2.gz ORNRPRNHHXNJKR-LLVKDONJSA-N -1 1 370.818 2.046 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000130464010 326557312 /nfs/dbraw/zinc/55/73/12/326557312.db2.gz PFQJFXUTCSMRMF-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000158007132 326881975 /nfs/dbraw/zinc/88/19/75/326881975.db2.gz ZNJMBDWEHXNOAX-SSDOTTSWSA-N -1 1 369.262 2.387 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)s1 ZINC000172285358 327192643 /nfs/dbraw/zinc/19/26/43/327192643.db2.gz XABCDRTVMHYJAH-UHFFFAOYSA-N -1 1 354.409 2.112 20 5 FEBDMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175646052 327404445 /nfs/dbraw/zinc/40/44/45/327404445.db2.gz WGBRCMPGIOPKJX-YRMIWKTRSA-N -1 1 366.486 2.014 20 5 FEBDMM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263687086 328952581 /nfs/dbraw/zinc/95/25/81/328952581.db2.gz KISUDGIANATEHR-NSHDSACASA-N -1 1 370.818 2.338 20 5 FEBDMM COc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000281825318 330177337 /nfs/dbraw/zinc/17/73/37/330177337.db2.gz KLYYKTSKZZBYCS-UHFFFAOYSA-N -1 1 361.320 2.498 20 5 FEBDMM COc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000364820241 330208192 /nfs/dbraw/zinc/20/81/92/330208192.db2.gz PKRQPTIAMIDZDT-UHFFFAOYSA-N -1 1 372.381 2.421 20 5 FEBDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000479130897 561182188 /nfs/dbraw/zinc/18/21/88/561182188.db2.gz DUCDNQFRHAKJTM-LLVKDONJSA-N -1 1 356.322 2.149 20 5 FEBDMM O=C(NCCCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000170737640 546174106 /nfs/dbraw/zinc/17/41/06/546174106.db2.gz QCCQNDJAPSZGID-UHFFFAOYSA-N -1 1 362.411 2.393 20 5 FEBDMM CN(C)c1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000181099587 547250365 /nfs/dbraw/zinc/25/03/65/547250365.db2.gz LNGYKIQDONRPJS-UHFFFAOYSA-N -1 1 350.400 2.040 20 5 FEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)n1 ZINC000485158536 561314057 /nfs/dbraw/zinc/31/40/57/561314057.db2.gz CUQIABJWKYANTB-UHFFFAOYSA-N -1 1 354.269 2.128 20 5 FEBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000185844499 548044910 /nfs/dbraw/zinc/04/49/10/548044910.db2.gz DJCPOTWDEDDCRS-AWEZNQCLSA-N -1 1 354.384 2.416 20 5 FEBDMM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000262234741 549801660 /nfs/dbraw/zinc/80/16/60/549801660.db2.gz XGKNOOBPCNBXJR-MGPLVRAMSA-N -1 1 367.789 2.373 20 5 FEBDMM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000262234741 549801662 /nfs/dbraw/zinc/80/16/62/549801662.db2.gz XGKNOOBPCNBXJR-MGPLVRAMSA-N -1 1 367.789 2.373 20 5 FEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000277972019 550734180 /nfs/dbraw/zinc/73/41/80/550734180.db2.gz FEVNPZMULXMESY-RISCZKNCSA-N -1 1 367.308 2.216 20 5 FEBDMM Cc1ccnc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000278159964 550755574 /nfs/dbraw/zinc/75/55/74/550755574.db2.gz XUPHSAFRRDHPLO-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281132407 551066774 /nfs/dbraw/zinc/06/67/74/551066774.db2.gz IVCPRBJTEUGNGI-MRVPVSSYSA-N -1 1 368.814 2.463 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nncn1C ZINC000285388367 551748351 /nfs/dbraw/zinc/74/83/51/551748351.db2.gz SMZUNGOPMDHYJX-LBPRGKRZSA-N -1 1 373.822 2.052 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1Cl ZINC000289976188 552408245 /nfs/dbraw/zinc/40/82/45/552408245.db2.gz UTXNXAGSISPGEL-SSDOTTSWSA-N -1 1 354.812 2.419 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](C)CO ZINC000290709475 552524220 /nfs/dbraw/zinc/52/42/20/552524220.db2.gz JHEUXFDJLPFRDG-RNFRBKRXSA-N -1 1 357.215 2.197 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290776688 552536250 /nfs/dbraw/zinc/53/62/50/552536250.db2.gz OZCBABKLMAEPLA-SFYZADRCSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1Cl ZINC000291019447 552576718 /nfs/dbraw/zinc/57/67/18/552576718.db2.gz XIQRRQQVGHMOEG-SECBINFHSA-N -1 1 372.790 2.207 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000501415764 561596963 /nfs/dbraw/zinc/59/69/63/561596963.db2.gz DJBKFKKJSRVYIP-NXEZZACHSA-N -1 1 354.306 2.173 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000298119856 553386702 /nfs/dbraw/zinc/38/67/02/553386702.db2.gz MSRLYYAGJDPRCR-ZWNOBZJWSA-N -1 1 363.395 2.485 20 5 FEBDMM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326570193 553781774 /nfs/dbraw/zinc/78/17/74/553781774.db2.gz WAAGUZDEUKSBNA-NXEZZACHSA-N -1 1 362.379 2.292 20 5 FEBDMM Cc1ccc(-c2cc(=NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[nH][n-]2)s1 ZINC000604532985 553885250 /nfs/dbraw/zinc/88/52/50/553885250.db2.gz QAHJTYORZUPSLH-UHFFFAOYSA-N -1 1 359.367 2.155 20 5 FEBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccnc1 ZINC000530956214 562429987 /nfs/dbraw/zinc/42/99/87/562429987.db2.gz SSFXOTGIOFFLHP-ZDUSSCGKSA-N -1 1 350.400 2.103 20 5 FEBDMM Cc1ccc(-c2cc(=NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000610999483 554592591 /nfs/dbraw/zinc/59/25/91/554592591.db2.gz CQSIMSFZCFTMAO-UHFFFAOYSA-N -1 1 359.367 2.155 20 5 FEBDMM Cn1ncc2c1ncc(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c2O ZINC000512010331 561888940 /nfs/dbraw/zinc/88/89/40/561888940.db2.gz PMWPVHWCXMHVMJ-UHFFFAOYSA-N -1 1 363.717 2.193 20 5 FEBDMM COc1ccccc1NC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000365631694 555626804 /nfs/dbraw/zinc/62/68/04/555626804.db2.gz ACSPKTTYLCLFLN-UHFFFAOYSA-N -1 1 372.381 2.421 20 5 FEBDMM Cc1ccc(CC2(O)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000366260062 555794811 /nfs/dbraw/zinc/79/48/11/555794811.db2.gz SFYLSQKJKMQZGK-UHFFFAOYSA-N -1 1 371.393 2.214 20 5 FEBDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000515573543 562015699 /nfs/dbraw/zinc/01/56/99/562015699.db2.gz AEHWUAHFMGUOAR-LLVKDONJSA-N -1 1 372.381 2.154 20 5 FEBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000516205441 562035776 /nfs/dbraw/zinc/03/57/76/562035776.db2.gz FSAMJXYZHHRTNQ-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000517181324 562078466 /nfs/dbraw/zinc/07/84/66/562078466.db2.gz BOTJNDGZCCITNC-UHFFFAOYSA-N -1 1 371.353 2.113 20 5 FEBDMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000520529474 562158258 /nfs/dbraw/zinc/15/82/58/562158258.db2.gz MCCNHXMJGGOTIF-UHFFFAOYSA-N -1 1 366.305 2.203 20 5 FEBDMM O=C([O-])[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)Cc2ccccc21 ZINC000375028935 557966763 /nfs/dbraw/zinc/96/67/63/557966763.db2.gz FTHRQLIULOHAIL-CQSZACIVSA-N -1 1 366.333 2.295 20 5 FEBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000521322727 562174339 /nfs/dbraw/zinc/17/43/39/562174339.db2.gz HSSWZOVKTNKIML-UHFFFAOYSA-N -1 1 356.317 2.466 20 5 FEBDMM COC(=O)c1cc(C)nc([N-]c2cnn(C[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000376082101 558124244 /nfs/dbraw/zinc/12/42/44/558124244.db2.gz RGMIVMMWAMJRNB-LBPRGKRZSA-N -1 1 361.358 2.204 20 5 FEBDMM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525185271 562242101 /nfs/dbraw/zinc/24/21/01/562242101.db2.gz RCXANCVVQPEBOY-LBPRGKRZSA-N -1 1 365.411 2.298 20 5 FEBDMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000421996626 559559556 /nfs/dbraw/zinc/55/95/56/559559556.db2.gz VQOFAEFATQLFNA-CMPLNLGQSA-N -1 1 365.386 2.135 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000442211668 560046244 /nfs/dbraw/zinc/04/62/44/560046244.db2.gz FLSRXFZRQFKKBK-UHFFFAOYSA-N -1 1 350.352 2.173 20 5 FEBDMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000443761116 560092085 /nfs/dbraw/zinc/09/20/85/560092085.db2.gz SGKJSIGSVPFVQC-SNVBAGLBSA-N -1 1 356.429 2.017 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(Cl)c(C)c2)c([N+](=O)[O-])n1 ZINC000462122523 560798209 /nfs/dbraw/zinc/79/82/09/560798209.db2.gz KXOJJUXNRRPUME-UHFFFAOYSA-N -1 1 372.834 2.294 20 5 FEBDMM C[C@H]1CCCN(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000531257801 562439945 /nfs/dbraw/zinc/43/99/45/562439945.db2.gz NTQMCCGIEQHGFX-NSHDSACASA-N -1 1 365.415 2.374 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000533174826 562500309 /nfs/dbraw/zinc/50/03/09/562500309.db2.gz KDZBSXQHEBKWAS-JTQLQIEISA-N -1 1 358.445 2.030 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270099 562503259 /nfs/dbraw/zinc/50/32/59/562503259.db2.gz CFZNHBHGCXEHMM-AWEZNQCLSA-N -1 1 350.400 2.241 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000570622100 568491649 /nfs/dbraw/zinc/49/16/49/568491649.db2.gz VSGHTRRLOAABOC-SNVBAGLBSA-N -1 1 362.342 2.102 20 5 FEBDMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000557902879 674474148 /nfs/dbraw/zinc/47/41/48/674474148.db2.gz WUNJLQFNWPDRBV-UHFFFAOYSA-N -1 1 361.339 2.079 20 5 FEBDMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000740200641 600072151 /nfs/dbraw/zinc/07/21/51/600072151.db2.gz JLZBOAPCCJRDTM-UHFFFAOYSA-N -1 1 352.306 2.325 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(c2ccn[nH]2)CC1 ZINC000740097745 600207755 /nfs/dbraw/zinc/20/77/55/600207755.db2.gz SGDBUXQMTMGJAA-UHFFFAOYSA-N -1 1 361.314 2.308 20 5 FEBDMM CCOc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000558580024 674504425 /nfs/dbraw/zinc/50/44/25/674504425.db2.gz SLGYVTYCHBXPQA-UHFFFAOYSA-N -1 1 366.351 2.493 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)cc1Cl ZINC000809819147 674512361 /nfs/dbraw/zinc/51/23/61/674512361.db2.gz WGVGANHZGQIXFD-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)cc1Cl ZINC000809820813 674512643 /nfs/dbraw/zinc/51/26/43/674512643.db2.gz CNOFEWAZESGAGY-IUCAKERBSA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC2CCC2)cc1Cl ZINC000809821271 674512880 /nfs/dbraw/zinc/51/28/80/674512880.db2.gz PKABVRKIGZHOAH-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM COC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809832417 674514537 /nfs/dbraw/zinc/51/45/37/674514537.db2.gz KUNIUGUQBFUYCR-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)[O-])CC1 ZINC000827759342 603834443 /nfs/dbraw/zinc/83/44/43/603834443.db2.gz RBVLUZHTEKKCPA-UHFFFAOYSA-N -1 1 364.402 2.068 20 5 FEBDMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000833732595 605680190 /nfs/dbraw/zinc/68/01/90/605680190.db2.gz VBVMAVLXCMHWRJ-OAHLLOKOSA-N -1 1 360.322 2.255 20 5 FEBDMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820921557 606588438 /nfs/dbraw/zinc/58/84/38/606588438.db2.gz ZJHDHNXPVAHHCF-ZDUSSCGKSA-N -1 1 353.342 2.051 20 5 FEBDMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820921557 606588440 /nfs/dbraw/zinc/58/84/40/606588440.db2.gz ZJHDHNXPVAHHCF-ZDUSSCGKSA-N -1 1 353.342 2.051 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823620319 606708338 /nfs/dbraw/zinc/70/83/38/606708338.db2.gz KJCGVOAHSZOICG-LLVKDONJSA-N -1 1 355.333 2.303 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823620319 606708340 /nfs/dbraw/zinc/70/83/40/606708340.db2.gz KJCGVOAHSZOICG-LLVKDONJSA-N -1 1 355.333 2.303 20 5 FEBDMM CC(=O)Nc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819817459 607161894 /nfs/dbraw/zinc/16/18/94/607161894.db2.gz HNZMUIPDCAMENP-UHFFFAOYSA-N -1 1 357.355 2.280 20 5 FEBDMM CC(=O)Nc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819817459 607161896 /nfs/dbraw/zinc/16/18/96/607161896.db2.gz HNZMUIPDCAMENP-UHFFFAOYSA-N -1 1 357.355 2.280 20 5 FEBDMM O=C1CCCN1c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000823530284 607163492 /nfs/dbraw/zinc/16/34/92/607163492.db2.gz HXSWZFXSBFHPKT-UHFFFAOYSA-N -1 1 366.341 2.040 20 5 FEBDMM O=C1CCCN1c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000823530284 607163493 /nfs/dbraw/zinc/16/34/93/607163493.db2.gz HXSWZFXSBFHPKT-UHFFFAOYSA-N -1 1 366.341 2.040 20 5 FEBDMM CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000824830300 608798498 /nfs/dbraw/zinc/79/84/98/608798498.db2.gz JHVRTFDBTVZOAZ-UHFFFAOYSA-N -1 1 351.370 2.387 20 5 FEBDMM CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000824830300 608798499 /nfs/dbraw/zinc/79/84/99/608798499.db2.gz JHVRTFDBTVZOAZ-UHFFFAOYSA-N -1 1 351.370 2.387 20 5 FEBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019599 674898451 /nfs/dbraw/zinc/89/84/51/674898451.db2.gz KATUCEORJYVDRY-UHFFFAOYSA-N -1 1 368.814 2.464 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000815045476 674906923 /nfs/dbraw/zinc/90/69/23/674906923.db2.gz UERIVXOFGLSYHC-UHFFFAOYSA-N -1 1 350.755 2.012 20 5 FEBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000053671468 670325811 /nfs/dbraw/zinc/32/58/11/670325811.db2.gz GCZGDVKBQMPFOH-UHFFFAOYSA-N -1 1 369.330 2.163 20 5 FEBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]O[C@@H]1CCCCO1 ZINC000087234567 670685775 /nfs/dbraw/zinc/68/57/75/670685775.db2.gz UWFGAVHMZUVYDJ-CYBMUJFWSA-N -1 1 359.176 2.474 20 5 FEBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000610087801 675952829 /nfs/dbraw/zinc/95/28/29/675952829.db2.gz JDJYKADBBXBWHG-LLVKDONJSA-N -1 1 364.807 2.114 20 5 FEBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119138408 671893039 /nfs/dbraw/zinc/89/30/39/671893039.db2.gz IPCUCLDGPAAJBF-GFCCVEGCSA-N -1 1 350.824 2.324 20 5 FEBDMM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261649 675961844 /nfs/dbraw/zinc/96/18/44/675961844.db2.gz GAQLMCKOUIOBCX-UHFFFAOYSA-N -1 1 365.411 2.354 20 5 FEBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCC2 ZINC000610269602 675963923 /nfs/dbraw/zinc/96/39/23/675963923.db2.gz VLWPGZKJOWDCSL-QWHCGFSZSA-N -1 1 355.416 2.006 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccoc1 ZINC000132496129 672098512 /nfs/dbraw/zinc/09/85/12/672098512.db2.gz ZKGLYOLLCFGDSP-UHFFFAOYSA-N -1 1 361.173 2.429 20 5 FEBDMM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000158046942 672265571 /nfs/dbraw/zinc/26/55/71/672265571.db2.gz ITEJNEJZGOFLHY-SSDOTTSWSA-N -1 1 369.262 2.387 20 5 FEBDMM C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000590899717 672630544 /nfs/dbraw/zinc/63/05/44/672630544.db2.gz FRIQEZMJUXHIJY-WDSKDSINSA-N -1 1 371.198 2.289 20 5 FEBDMM COCc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194343913 672757204 /nfs/dbraw/zinc/75/72/04/672757204.db2.gz LSMPNNLYOHJIBX-UHFFFAOYSA-N -1 1 354.359 2.359 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1 ZINC000612599665 676090099 /nfs/dbraw/zinc/09/00/99/676090099.db2.gz AOSWUUCMQCPVAU-UHFFFAOYSA-N -1 1 367.358 2.250 20 5 FEBDMM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538847376 673461655 /nfs/dbraw/zinc/46/16/55/673461655.db2.gz ICHIHNFBARBBNO-YGRLFVJLSA-N -1 1 369.374 2.183 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000736063973 673512296 /nfs/dbraw/zinc/51/22/96/673512296.db2.gz PLDPJYUBMBFBJM-UHFFFAOYSA-N -1 1 364.383 2.245 20 5 FEBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000539949641 673515338 /nfs/dbraw/zinc/51/53/38/673515338.db2.gz CMAXZICTKPBGAV-RAIGVLPGSA-N -1 1 357.432 2.108 20 5 FEBDMM Cc1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000542799827 673606922 /nfs/dbraw/zinc/60/69/22/673606922.db2.gz DIPIRYFMWYDDLY-UHFFFAOYSA-N -1 1 362.820 2.195 20 5 FEBDMM C[C@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599253608 673649060 /nfs/dbraw/zinc/64/90/60/673649060.db2.gz OHLRYLLJDBNLMG-LKFCYVNXSA-N -1 1 368.390 2.069 20 5 FEBDMM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599298697 673655588 /nfs/dbraw/zinc/65/55/88/673655588.db2.gz XLQMIVOVEFOSBT-SECBINFHSA-N -1 1 356.429 2.090 20 5 FEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000544741342 673729981 /nfs/dbraw/zinc/72/99/81/673729981.db2.gz VMUCAZBVNWWYJR-UHFFFAOYSA-N -1 1 359.367 2.117 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000746064711 673862616 /nfs/dbraw/zinc/86/26/16/673862616.db2.gz ONRJBWRHVAFYOL-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000760428343 680687235 /nfs/dbraw/zinc/68/72/35/680687235.db2.gz KPABRQWENGLHLS-VIFPVBQESA-N -1 1 364.807 2.116 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccsc1 ZINC000619752151 676393367 /nfs/dbraw/zinc/39/33/67/676393367.db2.gz JIFPQLBQXUJTDY-SECBINFHSA-N -1 1 370.408 2.467 20 5 FEBDMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000831877423 680056131 /nfs/dbraw/zinc/05/61/31/680056131.db2.gz JVBYJGATFCMZOL-LLVKDONJSA-N -1 1 352.771 2.233 20 5 FEBDMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000831877424 680056146 /nfs/dbraw/zinc/05/61/46/680056146.db2.gz JVBYJGATFCMZOL-NSHDSACASA-N -1 1 352.771 2.233 20 5 FEBDMM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000832231246 680112977 /nfs/dbraw/zinc/11/29/77/680112977.db2.gz JHOHFWJACBFUCM-RISCZKNCSA-N -1 1 362.423 2.301 20 5 FEBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000832494122 680139847 /nfs/dbraw/zinc/13/98/47/680139847.db2.gz FWSOCJBRZQQKNE-UHFFFAOYSA-N -1 1 357.363 2.461 20 5 FEBDMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755000602 680393545 /nfs/dbraw/zinc/39/35/45/680393545.db2.gz GQYPQFNLDVVXHS-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM O=C([O-])CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000841777582 680911526 /nfs/dbraw/zinc/91/15/26/680911526.db2.gz KPBRZUAYIBGDPC-UHFFFAOYSA-N -1 1 368.770 2.311 20 5 FEBDMM CC[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776539784 681401491 /nfs/dbraw/zinc/40/14/91/681401491.db2.gz PAPFMSMOXBJOBX-LURJTMIESA-N -1 1 371.198 2.291 20 5 FEBDMM Cc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1C(C)C ZINC000777581844 681506471 /nfs/dbraw/zinc/50/64/71/681506471.db2.gz XYMXCPQLUFMYNN-UHFFFAOYSA-N -1 1 363.399 2.124 20 5 FEBDMM CSCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795765742 683090046 /nfs/dbraw/zinc/09/00/46/683090046.db2.gz BLNYAGVDMKDRSP-UHFFFAOYSA-N -1 1 373.225 2.138 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCN2CCCCC2)cc1Cl ZINC000798225641 683324371 /nfs/dbraw/zinc/32/43/71/683324371.db2.gz FCHDFMXGQIBRAP-UHFFFAOYSA-N -1 1 365.814 2.152 20 5 FEBDMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879763181 686902969 /nfs/dbraw/zinc/90/29/69/686902969.db2.gz CFIKZGYIWRDLPL-CQSZACIVSA-N -1 1 361.320 2.117 20 5 FEBDMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000882589510 687404149 /nfs/dbraw/zinc/40/41/49/687404149.db2.gz UCYNMJPSYAFPSB-ZKCHVHJHSA-N -1 1 352.771 2.091 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028728 691881907 /nfs/dbraw/zinc/88/19/07/691881907.db2.gz VJFPISNFOIBMBE-RYUDHWBXSA-N -1 1 360.288 2.310 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000010063766 539511733 /nfs/dbraw/zinc/51/17/33/539511733.db2.gz LOUPVCDZUCNYQR-UHFFFAOYSA-N -1 1 361.379 2.223 20 5 FEBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000030007911 539872583 /nfs/dbraw/zinc/87/25/83/539872583.db2.gz ZLQCSLFJFJUMPI-UFBFGSQYSA-N -1 1 364.807 2.114 20 5 FEBDMM CCn1c(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000067077232 541414894 /nfs/dbraw/zinc/41/48/94/541414894.db2.gz WJJUSYGYIZKXEK-UHFFFAOYSA-N -1 1 367.456 2.320 20 5 FEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067572777 541482769 /nfs/dbraw/zinc/48/27/69/541482769.db2.gz YRJAZVMMHKUTPE-UHFFFAOYSA-N -1 1 367.247 2.170 20 5 FEBDMM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000113428405 543487945 /nfs/dbraw/zinc/48/79/45/543487945.db2.gz MQPOGXLLHNJNLJ-UHFFFAOYSA-N -1 1 359.321 2.447 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000123410117 543760402 /nfs/dbraw/zinc/76/04/02/543760402.db2.gz RBMAEPIIOFBPQE-VIFPVBQESA-N -1 1 368.242 2.322 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000185652332 327926341 /nfs/dbraw/zinc/92/63/41/327926341.db2.gz BVYHRWJODYAAQY-QPJJXVBHSA-N -1 1 368.393 2.167 20 5 FEBDMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000121325770 326329755 /nfs/dbraw/zinc/32/97/55/326329755.db2.gz VIWXKVYMXLMMLC-JTQLQIEISA-N -1 1 370.818 2.046 20 5 FEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c1C ZINC000152302012 326703765 /nfs/dbraw/zinc/70/37/65/326703765.db2.gz NMFMFLCTTWSWIZ-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM Nc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc(F)cc1[N+](=O)[O-] ZINC000155804072 326805794 /nfs/dbraw/zinc/80/57/94/326805794.db2.gz IOYXBGAKOUHEMR-UHFFFAOYSA-N -1 1 351.241 2.439 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000162669116 327031465 /nfs/dbraw/zinc/03/14/65/327031465.db2.gz HJZKCAZOAHGOLI-MFKMUULPSA-N -1 1 360.819 2.484 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c1C ZINC000176420320 327455127 /nfs/dbraw/zinc/45/51/27/327455127.db2.gz VORADCMUVSZWPK-UHFFFAOYSA-N -1 1 364.427 2.469 20 5 FEBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SCCC(N)=O)c1[N+](=O)[O-] ZINC000275020921 330002794 /nfs/dbraw/zinc/00/27/94/330002794.db2.gz RSWINOGJGOWMDZ-UHFFFAOYSA-N -1 1 363.399 2.100 20 5 FEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000181162502 547262257 /nfs/dbraw/zinc/26/22/57/547262257.db2.gz SGIAOVKVTBGUMU-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000185844474 548044552 /nfs/dbraw/zinc/04/45/52/548044552.db2.gz DJCPOTWDEDDCRS-CQSZACIVSA-N -1 1 354.384 2.416 20 5 FEBDMM COC(=O)c1coc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c1 ZINC000485993697 561334623 /nfs/dbraw/zinc/33/46/23/561334623.db2.gz WMKRHPCXYBXYRB-UHFFFAOYSA-N -1 1 362.294 2.322 20 5 FEBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000238192740 548880690 /nfs/dbraw/zinc/88/06/90/548880690.db2.gz IOTDPOORDQJMON-GFCCVEGCSA-N -1 1 368.349 2.144 20 5 FEBDMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274955398 550567276 /nfs/dbraw/zinc/56/72/76/550567276.db2.gz GXVYBAJTMVGLLX-UHFFFAOYSA-N -1 1 372.381 2.495 20 5 FEBDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000497956814 561512387 /nfs/dbraw/zinc/51/23/87/561512387.db2.gz VODHFSRMUUGTJY-UHFFFAOYSA-N -1 1 363.395 2.340 20 5 FEBDMM O=C([N-]C[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1)C(F)(F)F ZINC000290706795 552523826 /nfs/dbraw/zinc/52/38/26/552523826.db2.gz NYLYWSGECJTYKQ-SNVBAGLBSA-N -1 1 372.347 2.458 20 5 FEBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1Cl ZINC000291019448 552576674 /nfs/dbraw/zinc/57/66/74/552576674.db2.gz XIQRRQQVGHMOEG-VIFPVBQESA-N -1 1 372.790 2.207 20 5 FEBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)o1 ZINC000291993050 552682514 /nfs/dbraw/zinc/68/25/14/552682514.db2.gz UALAETQRPURFQG-UHFFFAOYSA-N -1 1 373.362 2.080 20 5 FEBDMM C[C@H](O)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000292283778 552712005 /nfs/dbraw/zinc/71/20/05/552712005.db2.gz JTOCXEWPJLFHDD-LBPRGKRZSA-N -1 1 365.411 2.213 20 5 FEBDMM CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295260519 552977754 /nfs/dbraw/zinc/97/77/54/552977754.db2.gz RHKYUMGWRHTFMH-UHFFFAOYSA-N -1 1 371.198 2.133 20 5 FEBDMM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295408404 553001643 /nfs/dbraw/zinc/00/16/43/553001643.db2.gz UABUWPXMDSQTJT-LLVKDONJSA-N -1 1 360.345 2.185 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000298050154 553377252 /nfs/dbraw/zinc/37/72/52/553377252.db2.gz GTFCTUSPKRUTJP-DGCLKSJQSA-N -1 1 363.395 2.485 20 5 FEBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000505107377 561666292 /nfs/dbraw/zinc/66/62/92/561666292.db2.gz JAHYNUXFMCPPKQ-UHFFFAOYSA-N -1 1 370.774 2.458 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1[N+](=O)[O-] ZINC000326164744 553779725 /nfs/dbraw/zinc/77/97/25/553779725.db2.gz MIKORTOEDUBVED-UHFFFAOYSA-N -1 1 356.312 2.004 20 5 FEBDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000327461826 553788962 /nfs/dbraw/zinc/78/89/62/553788962.db2.gz DQCKOIWGTZCAHV-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM O=C(NCc1ccccc1F)C1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000351034186 554831470 /nfs/dbraw/zinc/83/14/70/554831470.db2.gz VFEFICYGSYLAIN-UHFFFAOYSA-N -1 1 371.328 2.460 20 5 FEBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCCC1 ZINC000512767190 561914561 /nfs/dbraw/zinc/91/45/61/561914561.db2.gz OJAXAPPVLQHZTE-UHFFFAOYSA-N -1 1 362.429 2.201 20 5 FEBDMM COc1cc(CC2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc(OC)c1 ZINC000365920750 555701409 /nfs/dbraw/zinc/70/14/09/555701409.db2.gz SYISWHLUGZOHLG-UHFFFAOYSA-N -1 1 373.365 2.027 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OCCc2sccc21 ZINC000368682822 556384361 /nfs/dbraw/zinc/38/43/61/556384361.db2.gz LTPAYAKLXJDYDB-CYBMUJFWSA-N -1 1 374.465 2.484 20 5 FEBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370855048 556991842 /nfs/dbraw/zinc/99/18/42/556991842.db2.gz HQUYMDQCTAHKHL-MRXNPFEDSA-N -1 1 360.377 2.115 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000517662454 562095028 /nfs/dbraw/zinc/09/50/28/562095028.db2.gz WEXDFQYEPCHXPA-AULYBMBSSA-N -1 1 351.359 2.353 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)s1 ZINC000371683910 557262214 /nfs/dbraw/zinc/26/22/14/557262214.db2.gz WEWJUUHWADNKLH-GFCCVEGCSA-N -1 1 354.409 2.249 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000374141923 557830714 /nfs/dbraw/zinc/83/07/14/557830714.db2.gz GLURGOAVKRWCDT-OWYVNGRQSA-N -1 1 358.391 2.216 20 5 FEBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000521215057 562171970 /nfs/dbraw/zinc/17/19/70/562171970.db2.gz QGYOAKBSMJPIAT-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376066798 558122279 /nfs/dbraw/zinc/12/22/79/558122279.db2.gz KLZXZDKOZFHHRY-LLVKDONJSA-N -1 1 357.370 2.316 20 5 FEBDMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000392167873 558615945 /nfs/dbraw/zinc/61/59/45/558615945.db2.gz XPPRKUKWKYQLLO-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM COc1ccccc1C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525688131 562252198 /nfs/dbraw/zinc/25/21/98/562252198.db2.gz MQQNZXLYNAIEFH-UHFFFAOYSA-N -1 1 363.395 2.009 20 5 FEBDMM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702654 562252852 /nfs/dbraw/zinc/25/28/52/562252852.db2.gz FGSWTLWEZFWVLM-YPMHNXCESA-N -1 1 357.432 2.109 20 5 FEBDMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000422125661 559566797 /nfs/dbraw/zinc/56/67/97/559566797.db2.gz PLPLYFVONSFHQC-MNOVXSKESA-N -1 1 365.386 2.135 20 5 FEBDMM COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000427264091 559751626 /nfs/dbraw/zinc/75/16/26/559751626.db2.gz ZCMPQGWSHBOGGZ-UHFFFAOYSA-N -1 1 362.791 2.012 20 5 FEBDMM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1Br ZINC000427624589 559758997 /nfs/dbraw/zinc/75/89/97/559758997.db2.gz UXQUGDGKFYTACI-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FEBDMM CN(CCCC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430662857 559825901 /nfs/dbraw/zinc/82/59/01/559825901.db2.gz KRAZEWJGJDFEBG-UHFFFAOYSA-N -1 1 374.191 2.092 20 5 FEBDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000432276588 559855424 /nfs/dbraw/zinc/85/54/24/559855424.db2.gz YRTJLTKXVKDCQP-OAHLLOKOSA-N -1 1 366.399 2.198 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000432661067 559862697 /nfs/dbraw/zinc/86/26/97/559862697.db2.gz VTFOFSPHDJBCIS-UHFFFAOYSA-N -1 1 350.356 2.144 20 5 FEBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F ZINC000436191150 559937201 /nfs/dbraw/zinc/93/72/01/559937201.db2.gz PBDDNAPPGITCPM-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000438896141 559985418 /nfs/dbraw/zinc/98/54/18/559985418.db2.gz MFVGDCBNUYIGST-UHFFFAOYSA-N -1 1 374.378 2.432 20 5 FEBDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000442255067 560047109 /nfs/dbraw/zinc/04/71/09/560047109.db2.gz UPHXCWBVFJNRMM-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000443266866 560077041 /nfs/dbraw/zinc/07/70/41/560077041.db2.gz NXURSGPSSMVTPF-LBPRGKRZSA-N -1 1 374.777 2.399 20 5 FEBDMM COC(=O)CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000445183297 560130411 /nfs/dbraw/zinc/13/04/11/560130411.db2.gz IUIMWMGSJDEKCB-ZDUSSCGKSA-N -1 1 359.338 2.120 20 5 FEBDMM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000448476620 560187749 /nfs/dbraw/zinc/18/77/49/560187749.db2.gz BIEBGXPRVXYNEB-CYBMUJFWSA-N -1 1 356.382 2.342 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451865777 560333354 /nfs/dbraw/zinc/33/33/54/560333354.db2.gz YACALESUUJOALF-BXUZGUMPSA-N -1 1 374.846 2.324 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccnc3)C2)s1 ZINC000451908977 560336618 /nfs/dbraw/zinc/33/66/18/560336618.db2.gz YZNNHPFUJXHZBN-RYUDHWBXSA-N -1 1 369.424 2.250 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)c([N+](=O)[O-])n1 ZINC000476597405 561123786 /nfs/dbraw/zinc/12/37/86/561123786.db2.gz GUDPIQPWMOBPST-UHFFFAOYSA-N -1 1 352.416 2.413 20 5 FEBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000531428648 562445481 /nfs/dbraw/zinc/44/54/81/562445481.db2.gz MTMCTNHHCDALSR-UHFFFAOYSA-N -1 1 357.338 2.482 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854287 562490537 /nfs/dbraw/zinc/49/05/37/562490537.db2.gz RDIJPHMKQWMEJH-NWDGAFQWSA-N -1 1 352.416 2.282 20 5 FEBDMM COc1cc([N+](=O)[O-])ccc1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000568873830 568240339 /nfs/dbraw/zinc/24/03/39/568240339.db2.gz FVDIXMDGGHYJPN-UHFFFAOYSA-N -1 1 360.370 2.335 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000569308772 568361434 /nfs/dbraw/zinc/36/14/34/568361434.db2.gz FBZBSBDDFIRMBV-JRPNMDOOSA-N -1 1 363.395 2.221 20 5 FEBDMM O=C([O-])CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000550853341 597311137 /nfs/dbraw/zinc/31/11/37/597311137.db2.gz QUYJYSWZJHADOL-UHFFFAOYSA-N -1 1 357.171 2.045 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1-c1nnn[n-]1 ZINC000826498723 607449137 /nfs/dbraw/zinc/44/91/37/607449137.db2.gz HCZPKIVUTBGOPR-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1-c1nn[n-]n1 ZINC000826498723 607449139 /nfs/dbraw/zinc/44/91/39/607449139.db2.gz HCZPKIVUTBGOPR-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826498569 607449406 /nfs/dbraw/zinc/44/94/06/607449406.db2.gz ATDAXIFBUVTHMA-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826498569 607449407 /nfs/dbraw/zinc/44/94/07/607449407.db2.gz ATDAXIFBUVTHMA-UHFFFAOYSA-N -1 1 369.360 2.241 20 5 FEBDMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829161071 601270736 /nfs/dbraw/zinc/27/07/36/601270736.db2.gz MMYIZMXVJOFBIX-GJZGRUSLSA-N -1 1 361.398 2.382 20 5 FEBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821785 674512949 /nfs/dbraw/zinc/51/29/49/674512949.db2.gz RHZSPOOEVFSGPI-MRVPVSSYSA-N -1 1 354.787 2.217 20 5 FEBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826467364 607612724 /nfs/dbraw/zinc/61/27/24/607612724.db2.gz SPKWNSNKHDMAOJ-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826467364 607612726 /nfs/dbraw/zinc/61/27/26/607612726.db2.gz SPKWNSNKHDMAOJ-UHFFFAOYSA-N -1 1 360.717 2.180 20 5 FEBDMM CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(NC(=O)[O-])CC1 ZINC000828120306 603835448 /nfs/dbraw/zinc/83/54/48/603835448.db2.gz JEDPDDQSXYFDDZ-UHFFFAOYSA-N -1 1 350.375 2.044 20 5 FEBDMM COc1ccc(OCCN2CCCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500894 604044981 /nfs/dbraw/zinc/04/49/81/604044981.db2.gz QRXWEBMYVMNYJS-LBPRGKRZSA-N -1 1 353.375 2.104 20 5 FEBDMM COc1ccc(OCCN2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829501288 604105881 /nfs/dbraw/zinc/10/58/81/604105881.db2.gz YPWHQZRJXKLGOD-GFCCVEGCSA-N -1 1 353.375 2.056 20 5 FEBDMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833639987 605177116 /nfs/dbraw/zinc/17/71/16/605177116.db2.gz SIIJVCFLQPLMEG-KNHMANMVSA-N -1 1 351.403 2.169 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(-c2ccccc2)no1 ZINC000823625441 606698808 /nfs/dbraw/zinc/69/88/08/606698808.db2.gz VLCIGUAHZUXXDN-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(-c2ccccc2)no1 ZINC000823625441 606698810 /nfs/dbraw/zinc/69/88/10/606698810.db2.gz VLCIGUAHZUXXDN-UHFFFAOYSA-N -1 1 364.325 2.437 20 5 FEBDMM O=C(Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)C1CC1 ZINC000823355352 606700012 /nfs/dbraw/zinc/70/00/12/606700012.db2.gz ASVBZEVUNBUIEL-UHFFFAOYSA-N -1 1 367.325 2.311 20 5 FEBDMM O=C(Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)C1CC1 ZINC000823355352 606700014 /nfs/dbraw/zinc/70/00/14/606700014.db2.gz ASVBZEVUNBUIEL-UHFFFAOYSA-N -1 1 367.325 2.311 20 5 FEBDMM Cc1ccccc1OCCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822366573 606700322 /nfs/dbraw/zinc/70/03/22/606700322.db2.gz NOQAGSBBGRMORS-UHFFFAOYSA-N -1 1 369.385 2.384 20 5 FEBDMM Cc1ccccc1OCCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822366573 606700324 /nfs/dbraw/zinc/70/03/24/606700324.db2.gz NOQAGSBBGRMORS-UHFFFAOYSA-N -1 1 369.385 2.384 20 5 FEBDMM COC(=O)N(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821663815 606701351 /nfs/dbraw/zinc/70/13/51/606701351.db2.gz OZMDYVYMRUDQGJ-UHFFFAOYSA-N -1 1 370.329 2.116 20 5 FEBDMM COC(=O)N(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821663815 606701352 /nfs/dbraw/zinc/70/13/52/606701352.db2.gz OZMDYVYMRUDQGJ-UHFFFAOYSA-N -1 1 370.329 2.116 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC2CCCC2)CC1 ZINC000823620515 606705268 /nfs/dbraw/zinc/70/52/68/606705268.db2.gz MOCUOGUGHLRETO-UHFFFAOYSA-N -1 1 359.390 2.098 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC2CCCC2)CC1 ZINC000823620515 606705270 /nfs/dbraw/zinc/70/52/70/606705270.db2.gz MOCUOGUGHLRETO-UHFFFAOYSA-N -1 1 359.390 2.098 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(F)cc(F)cc2C1 ZINC000823620240 607040812 /nfs/dbraw/zinc/04/08/12/607040812.db2.gz ISGRSJIQFVAUAN-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c(F)cc(F)cc2C1 ZINC000823620240 607040813 /nfs/dbraw/zinc/04/08/13/607040813.db2.gz ISGRSJIQFVAUAN-UHFFFAOYSA-N -1 1 359.296 2.011 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOc1ccccc1F ZINC000823624756 607165498 /nfs/dbraw/zinc/16/54/98/607165498.db2.gz ILOJKMIFMRNDND-UHFFFAOYSA-N -1 1 359.321 2.190 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOc1ccccc1F ZINC000823624756 607165500 /nfs/dbraw/zinc/16/55/00/607165500.db2.gz ILOJKMIFMRNDND-UHFFFAOYSA-N -1 1 359.321 2.190 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(Cn2cccn2)c1 ZINC000823624912 607167755 /nfs/dbraw/zinc/16/77/55/607167755.db2.gz KIXBRDRCLAPCLO-UHFFFAOYSA-N -1 1 363.341 2.158 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(Cn2cccn2)c1 ZINC000823624912 607167756 /nfs/dbraw/zinc/16/77/56/607167756.db2.gz KIXBRDRCLAPCLO-UHFFFAOYSA-N -1 1 363.341 2.158 20 5 FEBDMM CCn1cc(C2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000825799895 607841182 /nfs/dbraw/zinc/84/11/82/607841182.db2.gz VYWUXWKXXDOLNZ-UHFFFAOYSA-N -1 1 368.401 2.375 20 5 FEBDMM CCn1cc(C2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000825799895 607841183 /nfs/dbraw/zinc/84/11/83/607841183.db2.gz VYWUXWKXXDOLNZ-UHFFFAOYSA-N -1 1 368.401 2.375 20 5 FEBDMM CC(=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942509 608142260 /nfs/dbraw/zinc/14/22/60/608142260.db2.gz DTFINMXHRFHJKF-FLIBITNWSA-N -1 1 366.337 2.317 20 5 FEBDMM CC(=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942509 608142261 /nfs/dbraw/zinc/14/22/61/608142261.db2.gz DTFINMXHRFHJKF-FLIBITNWSA-N -1 1 366.337 2.317 20 5 FEBDMM CCCCCn1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)n1 ZINC000825282138 608443745 /nfs/dbraw/zinc/44/37/45/608443745.db2.gz ODXXRMLTPBREGZ-UHFFFAOYSA-N -1 1 371.405 2.477 20 5 FEBDMM CCCCCn1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)n1 ZINC000825282138 608443747 /nfs/dbraw/zinc/44/37/47/608443747.db2.gz ODXXRMLTPBREGZ-UHFFFAOYSA-N -1 1 371.405 2.477 20 5 FEBDMM CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C(=O)[O-])C1 ZINC000563456249 674891100 /nfs/dbraw/zinc/89/11/00/674891100.db2.gz UHLMGZBKIXNKKZ-CABCVRRESA-N -1 1 352.387 2.446 20 5 FEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815018580 674898594 /nfs/dbraw/zinc/89/85/94/674898594.db2.gz UHNHTKVXQSSWJK-JTQLQIEISA-N -1 1 354.787 2.337 20 5 FEBDMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021460 674899784 /nfs/dbraw/zinc/89/97/84/674899784.db2.gz PGIQQNMTHLZRJA-JTQLQIEISA-N -1 1 354.787 2.073 20 5 FEBDMM CC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815023157 674900205 /nfs/dbraw/zinc/90/02/05/674900205.db2.gz LMVMFJKJERTSOU-UHFFFAOYSA-N -1 1 366.798 2.359 20 5 FEBDMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032980 674903926 /nfs/dbraw/zinc/90/39/26/674903926.db2.gz QUWOXPKISXOPMS-JVXZTZIISA-N -1 1 352.771 2.233 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)O ZINC000815081610 674913464 /nfs/dbraw/zinc/91/34/64/674913464.db2.gz JTRIASQIYFSHEE-LLVKDONJSA-N -1 1 354.787 2.215 20 5 FEBDMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815095715 674917260 /nfs/dbraw/zinc/91/72/60/674917260.db2.gz XZPKBJSPIGOIOA-AMIZOPFISA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000038039622 670139514 /nfs/dbraw/zinc/13/95/14/670139514.db2.gz NRNVMEYTKRLCPX-UHFFFAOYSA-N -1 1 372.200 2.231 20 5 FEBDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000055555666 670352055 /nfs/dbraw/zinc/35/20/55/670352055.db2.gz CISOIHXGRALHSO-UHFFFAOYSA-N -1 1 367.358 2.237 20 5 FEBDMM CSc1cc2c(cc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-])OCCO2 ZINC000609169107 675912506 /nfs/dbraw/zinc/91/25/06/675912506.db2.gz OKYYBBNJHIGRLA-UHFFFAOYSA-N -1 1 350.356 2.372 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000580401094 671803778 /nfs/dbraw/zinc/80/37/78/671803778.db2.gz LNBPOXCDHIHYBG-LBPRGKRZSA-N -1 1 355.416 2.150 20 5 FEBDMM CCC(CC)c1nnc([N-]C(=O)c2ccnc(NC)c2[N+](=O)[O-])s1 ZINC000582478029 672005220 /nfs/dbraw/zinc/00/52/20/672005220.db2.gz HRTBUEHLESLGKY-UHFFFAOYSA-N -1 1 350.404 3.039 20 5 FEBDMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131664958 672090550 /nfs/dbraw/zinc/09/05/50/672090550.db2.gz PNPUAFVPTUPYFV-NSHDSACASA-N -1 1 372.164 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)s1 ZINC000159324549 672280556 /nfs/dbraw/zinc/28/05/56/672280556.db2.gz WYFJWUAEYGZZET-JTQLQIEISA-N -1 1 362.816 2.322 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000736538785 673530673 /nfs/dbraw/zinc/53/06/73/673530673.db2.gz DACKMSFUZZSVCM-UHFFFAOYSA-N -1 1 368.346 2.075 20 5 FEBDMM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599214357 673642199 /nfs/dbraw/zinc/64/21/99/673642199.db2.gz JTERMXHSQFYUJJ-NSHDSACASA-N -1 1 368.415 2.155 20 5 FEBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599483087 673681736 /nfs/dbraw/zinc/68/17/36/673681736.db2.gz ARZUHWKLNSGWLK-INIZCTEOSA-N -1 1 370.427 2.093 20 5 FEBDMM CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000544843857 673736054 /nfs/dbraw/zinc/73/60/54/673736054.db2.gz XQLVFAKUUSMDIS-SNVBAGLBSA-N -1 1 364.807 2.258 20 5 FEBDMM Nc1nccc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000547730530 673884331 /nfs/dbraw/zinc/88/43/31/673884331.db2.gz YHGLRLJJRFKXSU-UHFFFAOYSA-N -1 1 353.132 2.292 20 5 FEBDMM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000604062750 675803626 /nfs/dbraw/zinc/80/36/26/675803626.db2.gz BIVHCYXGBLCABG-UHFFFAOYSA-N -1 1 366.399 2.042 20 5 FEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000828288182 675810653 /nfs/dbraw/zinc/81/06/53/675810653.db2.gz CBYAKUIYUWCJCX-RNFRBKRXSA-N -1 1 355.199 2.357 20 5 FEBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccnn1C ZINC000615946781 676234752 /nfs/dbraw/zinc/23/47/52/676234752.db2.gz HAUFXUGXZBFLPT-SNVBAGLBSA-N -1 1 358.445 2.108 20 5 FEBDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N-]C(=O)c1ccccc1 ZINC000763718731 680790882 /nfs/dbraw/zinc/79/08/82/680790882.db2.gz WKANWPQTIBHOTF-UHFFFAOYSA-N -1 1 362.725 2.362 20 5 FEBDMM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000765142505 680832506 /nfs/dbraw/zinc/83/25/06/680832506.db2.gz UGNVQPMFFOWLGH-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000832525488 680144302 /nfs/dbraw/zinc/14/43/02/680144302.db2.gz ZAJCYDSZXQCHGW-CPFSXVBKSA-N -1 1 366.798 2.479 20 5 FEBDMM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000751276105 680165307 /nfs/dbraw/zinc/16/53/07/680165307.db2.gz JIHFOVJKFWSCCU-UHFFFAOYSA-N -1 1 374.172 2.259 20 5 FEBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469238 680179850 /nfs/dbraw/zinc/17/98/50/680179850.db2.gz WAWOKSQTQOYRMS-ONGXEEELSA-N -1 1 350.824 2.324 20 5 FEBDMM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841555859 680897065 /nfs/dbraw/zinc/89/70/65/680897065.db2.gz SVXAZRPRHUNZCP-CJNGLKHVSA-N -1 1 366.370 2.325 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000767323504 680907883 /nfs/dbraw/zinc/90/78/83/680907883.db2.gz ZDZHGMRMZBKZFX-UHFFFAOYSA-N -1 1 372.815 2.436 20 5 FEBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000769689240 680991397 /nfs/dbraw/zinc/99/13/97/680991397.db2.gz LOIWEPPSFDHBRT-UHFFFAOYSA-N -1 1 357.229 2.090 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@H]1CC1(Cl)Cl ZINC000846021877 681174446 /nfs/dbraw/zinc/17/44/46/681174446.db2.gz MBKJMLBUUNNIMM-QMMMGPOBSA-N -1 1 354.215 2.242 20 5 FEBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000774908170 681249302 /nfs/dbraw/zinc/24/93/02/681249302.db2.gz KOHKSNYANAOORQ-UHFFFAOYSA-N -1 1 359.260 2.302 20 5 FEBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)co1 ZINC000778333728 681598506 /nfs/dbraw/zinc/59/85/06/681598506.db2.gz GCBQVLIDMZKFSW-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000790351149 682669648 /nfs/dbraw/zinc/66/96/48/682669648.db2.gz QWIZHCSRNWOYCN-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000859433465 683109297 /nfs/dbraw/zinc/10/92/97/683109297.db2.gz KRDGKYBHGDDCIN-AWEZNQCLSA-N -1 1 369.424 2.490 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000920935801 683380693 /nfs/dbraw/zinc/38/06/93/683380693.db2.gz DFTDLEFWESOCES-BQBZGAKWSA-N -1 1 360.335 2.045 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000867735576 684366157 /nfs/dbraw/zinc/36/61/57/684366157.db2.gz HKOFVROMDUWKEZ-FZMZJTMJSA-N -1 1 358.391 2.217 20 5 FEBDMM O=C([O-])CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000903703101 690964925 /nfs/dbraw/zinc/96/49/25/690964925.db2.gz RJSLOFSTKIQGJU-UHFFFAOYSA-N -1 1 373.203 2.423 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1[N+](=O)[O-] ZINC000031777012 539918831 /nfs/dbraw/zinc/91/88/31/539918831.db2.gz INEFSWSSIPUVEP-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242008 541196241 /nfs/dbraw/zinc/19/62/41/541196241.db2.gz NTRKEJGKAUKCIG-UHFFFAOYSA-N -1 1 358.397 2.022 20 5 FEBDMM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244292 541197320 /nfs/dbraw/zinc/19/73/20/541197320.db2.gz LLEITRMZDSKMIX-UHFFFAOYSA-N -1 1 356.425 2.494 20 5 FEBDMM CCOC(=O)C(=C([O-])Cn1nc(C)c([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC000115644632 543579242 /nfs/dbraw/zinc/57/92/42/543579242.db2.gz JOCVRPMJMGYPEX-GFCCVEGCSA-N -1 1 366.399 2.089 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000125356137 543877240 /nfs/dbraw/zinc/87/72/40/543877240.db2.gz JTSSOZKDTAATNP-MRXNPFEDSA-N -1 1 357.366 2.281 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)s1 ZINC000125675822 543895838 /nfs/dbraw/zinc/89/58/38/543895838.db2.gz JEYSAPFAZZVOHK-UHFFFAOYSA-N -1 1 363.804 2.062 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1 ZINC000126900629 543962433 /nfs/dbraw/zinc/96/24/33/543962433.db2.gz MGNLSYVDZZUUFC-UHFFFAOYSA-N -1 1 352.372 2.013 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129166582 544094932 /nfs/dbraw/zinc/09/49/32/544094932.db2.gz ODXBEUXBSKHALQ-SUZMYJTESA-N -1 1 360.819 2.484 20 5 FEBDMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186800275 327983345 /nfs/dbraw/zinc/98/33/45/327983345.db2.gz MRPUOBYXGIHWII-UHFFFAOYSA-N -1 1 353.338 2.153 20 5 FEBDMM Cc1cc([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)ccc1F ZINC000193781506 328395099 /nfs/dbraw/zinc/39/50/99/328395099.db2.gz JUDMXYIWZIDLBN-HNNXBMFYSA-N -1 1 361.329 2.357 20 5 FEBDMM O=C(NCc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000150882332 326670195 /nfs/dbraw/zinc/67/01/95/326670195.db2.gz KKHPJVUNTUPPHD-UHFFFAOYSA-N -1 1 357.351 2.144 20 5 FEBDMM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000263799453 328963603 /nfs/dbraw/zinc/96/36/03/328963603.db2.gz JPMVVGIOKWYPKQ-MRVPVSSYSA-N -1 1 367.221 2.061 20 5 FEBDMM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000265353025 329117778 /nfs/dbraw/zinc/11/77/78/329117778.db2.gz UCLASLRRARKCQP-XMMPIXPASA-N -1 1 351.384 2.070 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000273601013 329878402 /nfs/dbraw/zinc/87/84/02/329878402.db2.gz LZGGWUXHTWDCMH-SECBINFHSA-N -1 1 356.429 2.411 20 5 FEBDMM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl ZINC000160548122 546051533 /nfs/dbraw/zinc/05/15/33/546051533.db2.gz YAAKRGPYBKHFOP-CYBMUJFWSA-N -1 1 351.746 2.466 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1[O-] ZINC000480733438 561215468 /nfs/dbraw/zinc/21/54/68/561215468.db2.gz ATYJNXURDAFADX-UHFFFAOYSA-N -1 1 365.367 2.368 20 5 FEBDMM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000184050224 547760523 /nfs/dbraw/zinc/76/05/23/547760523.db2.gz WFRBLZUZJCEIKO-MRVPVSSYSA-N -1 1 350.306 2.376 20 5 FEBDMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238041108 548875074 /nfs/dbraw/zinc/87/50/74/548875074.db2.gz UDKRAPLVBRTRJF-OAHLLOKOSA-N -1 1 366.333 2.123 20 5 FEBDMM CC(C)(C)c1nc(=NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000489898987 561421787 /nfs/dbraw/zinc/42/17/87/561421787.db2.gz KVWODEKNVPBFHI-UHFFFAOYSA-N -1 1 370.456 2.052 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000268330037 550051029 /nfs/dbraw/zinc/05/10/29/550051029.db2.gz AOUWKVKTNHLGEA-UHFFFAOYSA-N -1 1 368.371 2.029 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000274939105 550566295 /nfs/dbraw/zinc/56/62/95/550566295.db2.gz FBJFNPGNYYFZRJ-CYBMUJFWSA-N -1 1 371.349 2.444 20 5 FEBDMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277749307 550709675 /nfs/dbraw/zinc/70/96/75/550709675.db2.gz PZDIIYXPMURWAP-UHFFFAOYSA-N -1 1 372.381 2.060 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCOCC2)c(Cl)cc1Cl ZINC000279334521 550878697 /nfs/dbraw/zinc/87/86/97/550878697.db2.gz HORIWQIYZVDOLS-UHFFFAOYSA-N -1 1 355.199 2.359 20 5 FEBDMM O=C(NCc1c(F)cccc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000286237361 551864515 /nfs/dbraw/zinc/86/45/15/551864515.db2.gz GIQNRCYDWGQEJI-UHFFFAOYSA-N -1 1 360.345 2.365 20 5 FEBDMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000288412910 552149335 /nfs/dbraw/zinc/14/93/35/552149335.db2.gz PSNWNHIIUNICLY-CYBMUJFWSA-N -1 1 373.365 2.388 20 5 FEBDMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000290284036 552453726 /nfs/dbraw/zinc/45/37/26/552453726.db2.gz DNQGLKOZHVBLQA-JTQLQIEISA-N -1 1 359.304 2.126 20 5 FEBDMM CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290666079 552516170 /nfs/dbraw/zinc/51/61/70/552516170.db2.gz KASJCXRDZUNNLN-JTQLQIEISA-N -1 1 363.340 2.015 20 5 FEBDMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1[N+](=O)[O-] ZINC000324234176 553771519 /nfs/dbraw/zinc/77/15/19/553771519.db2.gz SRUPGXIDLWWXIZ-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330450666 554123542 /nfs/dbraw/zinc/12/35/42/554123542.db2.gz JDQPYUMVTXXOME-WDEREUQCSA-N -1 1 362.477 2.154 20 5 FEBDMM CC(C)(C)OC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000508099342 561751693 /nfs/dbraw/zinc/75/16/93/561751693.db2.gz IVBGVVBELJKWOU-UHFFFAOYSA-N -1 1 353.375 2.327 20 5 FEBDMM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000510583510 561839632 /nfs/dbraw/zinc/83/96/32/561839632.db2.gz IENSOXGXXLUKTC-UHFFFAOYSA-N -1 1 364.807 2.258 20 5 FEBDMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368141783 556228450 /nfs/dbraw/zinc/22/84/50/556228450.db2.gz GIBBQROXZZPIFE-VIFPVBQESA-N -1 1 352.297 2.252 20 5 FEBDMM O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000516546138 562047045 /nfs/dbraw/zinc/04/70/45/562047045.db2.gz NRLWSFTWJNMTPO-CMPLNLGQSA-N -1 1 374.390 2.436 20 5 FEBDMM Cc1cc(C)n(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000370064494 556771027 /nfs/dbraw/zinc/77/10/27/556771027.db2.gz JACQBDAFCHHYHU-UHFFFAOYSA-N -1 1 359.386 2.061 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000520332431 562153715 /nfs/dbraw/zinc/15/37/15/562153715.db2.gz DAFWONCXBSIEMH-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM CN(CCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000524674296 562232105 /nfs/dbraw/zinc/23/21/05/562232105.db2.gz ZBVNXNYOPRSUDN-UHFFFAOYSA-N -1 1 364.427 2.185 20 5 FEBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000415651296 559258182 /nfs/dbraw/zinc/25/81/82/559258182.db2.gz TZOHDODDUVTIDT-MRVPVSSYSA-N -1 1 350.306 2.376 20 5 FEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000416564880 559322199 /nfs/dbraw/zinc/32/21/99/559322199.db2.gz SDUVWAHSWQFRKD-RYUDHWBXSA-N -1 1 360.819 2.484 20 5 FEBDMM CC(C)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425296812 559695286 /nfs/dbraw/zinc/69/52/86/559695286.db2.gz HKZMPQXGOYMCTE-NSHDSACASA-N -1 1 360.370 2.367 20 5 FEBDMM O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300971 559695371 /nfs/dbraw/zinc/69/53/71/559695371.db2.gz LTFWSLHPTDFHNS-SECBINFHSA-N -1 1 357.326 2.185 20 5 FEBDMM C[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000425329034 559697114 /nfs/dbraw/zinc/69/71/14/559697114.db2.gz YQQOSYZHPCIPCZ-VIFPVBQESA-N -1 1 364.333 2.332 20 5 FEBDMM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437353540 559963651 /nfs/dbraw/zinc/96/36/51/559963651.db2.gz CUBKEGCPPQAXDU-GZMMTYOYSA-N -1 1 353.256 2.399 20 5 FEBDMM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000439252977 559990881 /nfs/dbraw/zinc/99/08/81/559990881.db2.gz ZNJPIZCHZGVVIH-UHFFFAOYSA-N -1 1 357.225 2.223 20 5 FEBDMM CN1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc21 ZINC000444281184 560107945 /nfs/dbraw/zinc/10/79/45/560107945.db2.gz VCCYKFYPKAITDY-LLVKDONJSA-N -1 1 367.452 2.243 20 5 FEBDMM CCc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1Br ZINC000448316699 560183939 /nfs/dbraw/zinc/18/39/39/560183939.db2.gz YXZCWAVYWWCGRU-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451738679 560325876 /nfs/dbraw/zinc/32/58/76/560325876.db2.gz RTUXSIPDUZAFET-UHFFFAOYSA-N -1 1 352.771 2.045 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451865784 560333270 /nfs/dbraw/zinc/33/32/70/560333270.db2.gz YACALESUUJOALF-SMDDNHRTSA-N -1 1 374.846 2.324 20 5 FEBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sccc2S(C)(=O)=O)c1 ZINC000460132905 560735978 /nfs/dbraw/zinc/73/59/78/560735978.db2.gz HLANOXKMSOZKFE-UHFFFAOYSA-N -1 1 356.381 2.321 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)c([N+](=O)[O-])n1 ZINC000466569691 560890203 /nfs/dbraw/zinc/89/02/03/560890203.db2.gz IOHZJGCRDOHLMZ-UHFFFAOYSA-N -1 1 364.383 2.344 20 5 FEBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000467942221 560919951 /nfs/dbraw/zinc/91/99/51/560919951.db2.gz HRYVAPSYNVFDRY-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000472210487 561021149 /nfs/dbraw/zinc/02/11/49/561021149.db2.gz ZNQIOQHVERUKTP-UHFFFAOYSA-N -1 1 350.824 2.468 20 5 FEBDMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000530903703 562427961 /nfs/dbraw/zinc/42/79/61/562427961.db2.gz DXHUPZUUWDZENV-STQMWFEESA-N -1 1 357.432 2.252 20 5 FEBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000531205519 562438101 /nfs/dbraw/zinc/43/81/01/562438101.db2.gz VZJGETLIPFZDEI-CYBMUJFWSA-N -1 1 365.411 2.434 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000532166958 562469455 /nfs/dbraw/zinc/46/94/55/562469455.db2.gz QTLALCLEQCWFML-UHFFFAOYSA-N -1 1 366.380 2.185 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)c([N+](=O)[O-])n1 ZINC000532948914 562493480 /nfs/dbraw/zinc/49/34/80/562493480.db2.gz LONULFZOGMLVSQ-UHFFFAOYSA-N -1 1 352.416 2.215 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c([N+](=O)[O-])n1 ZINC000533176554 562500601 /nfs/dbraw/zinc/50/06/01/562500601.db2.gz MAUBDSWRYJBIBK-LLVKDONJSA-N -1 1 368.440 2.327 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C1CCCCC1 ZINC000533553663 562512930 /nfs/dbraw/zinc/51/29/30/562512930.db2.gz QHEKAICIESYBLF-LBPRGKRZSA-N -1 1 362.835 2.468 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000533632459 562514801 /nfs/dbraw/zinc/51/48/01/562514801.db2.gz KDBJODGTQFRCDN-UHFFFAOYSA-N -1 1 366.443 2.358 20 5 FEBDMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000534261921 562528907 /nfs/dbraw/zinc/52/89/07/562528907.db2.gz JMZTVVWHABBQJJ-UHFFFAOYSA-N -1 1 369.337 2.007 20 5 FEBDMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000806634329 674384549 /nfs/dbraw/zinc/38/45/49/674384549.db2.gz FEBVNQIMWFBMTN-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM O=[N+]([O-])c1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738358198 598962101 /nfs/dbraw/zinc/96/21/01/598962101.db2.gz AYUVUJJJTSTRHR-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=[N+]([O-])c1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738358198 598962103 /nfs/dbraw/zinc/96/21/03/598962103.db2.gz AYUVUJJJTSTRHR-UHFFFAOYSA-N -1 1 362.353 2.373 20 5 FEBDMM O=c1ccc2ccc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2o1 ZINC000823665976 599154437 /nfs/dbraw/zinc/15/44/37/599154437.db2.gz YYJMDLBORRURMU-UHFFFAOYSA-N -1 1 352.266 2.069 20 5 FEBDMM O=c1ccc2ccc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2o1 ZINC000823665976 599154440 /nfs/dbraw/zinc/15/44/40/599154440.db2.gz YYJMDLBORRURMU-UHFFFAOYSA-N -1 1 352.266 2.069 20 5 FEBDMM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCN(Cc2ccccc2)C1 ZINC000833128163 601736178 /nfs/dbraw/zinc/73/61/78/601736178.db2.gz ABITVKOSIPYHFY-GOSISDBHSA-N -1 1 373.365 2.037 20 5 FEBDMM O=C([O-])CCC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000833225867 601798775 /nfs/dbraw/zinc/79/87/75/601798775.db2.gz QJPRZRDMKHAHEC-UHFFFAOYSA-N -1 1 359.386 2.388 20 5 FEBDMM CC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829159986 604263441 /nfs/dbraw/zinc/26/34/41/604263441.db2.gz BGZSLIADIAWILT-MNOVXSKESA-N -1 1 371.821 2.228 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1F ZINC000833733323 605328074 /nfs/dbraw/zinc/32/80/74/605328074.db2.gz NWPIMHGCRALZDZ-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM C[C@@H]1c2ccccc2OCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820826923 606704835 /nfs/dbraw/zinc/70/48/35/606704835.db2.gz OVFKHDKQSCLXKK-SNVBAGLBSA-N -1 1 353.342 2.130 20 5 FEBDMM C[C@@H]1c2ccccc2OCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820826923 606704836 /nfs/dbraw/zinc/70/48/36/606704836.db2.gz OVFKHDKQSCLXKK-SNVBAGLBSA-N -1 1 353.342 2.130 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1c(F)c(F)cc(F)c1F ZINC000823625145 606718648 /nfs/dbraw/zinc/71/86/48/606718648.db2.gz QLIBBQCCCOIHSP-UHFFFAOYSA-N -1 1 369.238 2.338 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1c(F)c(F)cc(F)c1F ZINC000823625145 606718650 /nfs/dbraw/zinc/71/86/50/606718650.db2.gz QLIBBQCCCOIHSP-UHFFFAOYSA-N -1 1 369.238 2.338 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc2c(c1)OCCO2 ZINC000823629927 607161769 /nfs/dbraw/zinc/16/17/69/607161769.db2.gz MGQIIOPJTPQQPP-UHFFFAOYSA-N -1 1 358.339 2.092 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc2c(c1)OCCO2 ZINC000823629927 607161771 /nfs/dbraw/zinc/16/17/71/607161771.db2.gz MGQIIOPJTPQQPP-UHFFFAOYSA-N -1 1 358.339 2.092 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(-c2ccccc2)o1 ZINC000823629634 607163863 /nfs/dbraw/zinc/16/38/63/607163863.db2.gz CNTSTTAMTFOEGD-UHFFFAOYSA-N -1 1 368.338 2.371 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(-c2ccccc2)o1 ZINC000823629634 607163865 /nfs/dbraw/zinc/16/38/65/607163865.db2.gz CNTSTTAMTFOEGD-UHFFFAOYSA-N -1 1 368.338 2.371 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCN1CCc2ccccc21 ZINC000823625135 607168240 /nfs/dbraw/zinc/16/82/40/607168240.db2.gz QEIBNEBIEMXRQF-UHFFFAOYSA-N -1 1 366.385 2.035 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCN1CCc2ccccc21 ZINC000823625135 607168241 /nfs/dbraw/zinc/16/82/41/607168241.db2.gz QEIBNEBIEMXRQF-UHFFFAOYSA-N -1 1 366.385 2.035 20 5 FEBDMM CN(C)c1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825878685 608129699 /nfs/dbraw/zinc/12/96/99/608129699.db2.gz AUYQBKSAKOWCPO-UHFFFAOYSA-N -1 1 374.382 2.259 20 5 FEBDMM CSCc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000562853558 674816718 /nfs/dbraw/zinc/81/67/18/674816718.db2.gz AEMGUDDNJZPJFH-UHFFFAOYSA-N -1 1 353.425 2.331 20 5 FEBDMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815006361 674894682 /nfs/dbraw/zinc/89/46/82/674894682.db2.gz DVGGZJKTSVXNEF-UHFFFAOYSA-N -1 1 354.787 2.481 20 5 FEBDMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017073 674897190 /nfs/dbraw/zinc/89/71/90/674897190.db2.gz FKJUASDNOKEHMK-GFCCVEGCSA-N -1 1 354.787 2.073 20 5 FEBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000067078953 670452777 /nfs/dbraw/zinc/45/27/77/670452777.db2.gz AGIYSIQQPFMSKZ-UHFFFAOYSA-N -1 1 351.363 2.295 20 5 FEBDMM CC(C)(C)c1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000573492781 671129269 /nfs/dbraw/zinc/12/92/69/671129269.db2.gz LFKCDNOFPYVYFU-UHFFFAOYSA-N -1 1 353.766 2.299 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000123171194 671976274 /nfs/dbraw/zinc/97/62/74/671976274.db2.gz PRWAWXCNIVONQS-CYBMUJFWSA-N -1 1 354.359 2.136 20 5 FEBDMM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000582893709 672044172 /nfs/dbraw/zinc/04/41/72/672044172.db2.gz OAWLLNCSJNGRAB-NWDGAFQWSA-N -1 1 357.432 2.250 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000160057038 672288458 /nfs/dbraw/zinc/28/84/58/672288458.db2.gz PKNTVYZMUNPHIM-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1 ZINC000611105506 676017702 /nfs/dbraw/zinc/01/77/02/676017702.db2.gz ZGTDUDGHXANTMZ-UHFFFAOYSA-N -1 1 373.460 2.044 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000611226471 676026400 /nfs/dbraw/zinc/02/64/00/676026400.db2.gz IBNKJLRYTMRHIT-UHFFFAOYSA-N -1 1 350.356 2.077 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000612174213 676072203 /nfs/dbraw/zinc/07/22/03/676072203.db2.gz BFEUZAMAQHKXDS-UONOGXRCSA-N -1 1 360.819 2.484 20 5 FEBDMM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000612174444 676072364 /nfs/dbraw/zinc/07/23/64/676072364.db2.gz LIHVJHXTUMEYCG-ZIAGYGMSSA-N -1 1 360.819 2.484 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])n1 ZINC000594486905 673090067 /nfs/dbraw/zinc/09/00/67/673090067.db2.gz KNPSQKNEFQVZEC-SECBINFHSA-N -1 1 366.390 2.304 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000727113817 673155896 /nfs/dbraw/zinc/15/58/96/673155896.db2.gz RXNYDAGOUTYTBO-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3c(C)cccc32)c([N+](=O)[O-])n1 ZINC000595389586 673240021 /nfs/dbraw/zinc/24/00/21/673240021.db2.gz JAIDAIWTOFAZIU-AWEZNQCLSA-N -1 1 364.427 2.476 20 5 FEBDMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000538847375 673461634 /nfs/dbraw/zinc/46/16/34/673461634.db2.gz ICHIHNFBARBBNO-QMTHXVAHSA-N -1 1 369.374 2.183 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC12CC3CC(CC(C3)C1)C2 ZINC000742268786 673717021 /nfs/dbraw/zinc/71/70/21/673717021.db2.gz KXMGHCSOYNSOFJ-UHFFFAOYSA-N -1 1 351.428 2.485 20 5 FEBDMM CCO[C@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC000600657139 673786849 /nfs/dbraw/zinc/78/68/49/673786849.db2.gz IWAYRTNTIYICEI-CQSZACIVSA-N -1 1 372.399 2.158 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC000603981265 675802746 /nfs/dbraw/zinc/80/27/46/675802746.db2.gz PCVDGXIPTIYJHP-UHFFFAOYSA-N -1 1 360.351 2.347 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000619467700 676378198 /nfs/dbraw/zinc/37/81/98/676378198.db2.gz XFXBSZTUTOGIJF-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000619507569 676382767 /nfs/dbraw/zinc/38/27/67/676382767.db2.gz NOEGIOFNZDJVJO-UHFFFAOYSA-N -1 1 357.775 2.183 20 5 FEBDMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000763086811 680771805 /nfs/dbraw/zinc/77/18/05/680771805.db2.gz PJBQRTAWDHQOTB-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831533078 679999631 /nfs/dbraw/zinc/99/96/31/679999631.db2.gz AXVUVNCKLQNQQY-QMMMGPOBSA-N -1 1 371.242 2.444 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000832135437 680099957 /nfs/dbraw/zinc/09/99/57/680099957.db2.gz AUUWDXIEVRYLFV-LLVKDONJSA-N -1 1 358.391 2.362 20 5 FEBDMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832511488 680142178 /nfs/dbraw/zinc/14/21/78/680142178.db2.gz YXBZWBDOLAXTSP-NSHDSACASA-N -1 1 352.771 2.091 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000841573961 680901180 /nfs/dbraw/zinc/90/11/80/680901180.db2.gz QONRTFJFCTXKFT-BDAKNGLRSA-N -1 1 366.798 2.217 20 5 FEBDMM COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000768889070 680963658 /nfs/dbraw/zinc/96/36/58/680963658.db2.gz NQWBBBIRWMPJGG-UHFFFAOYSA-N -1 1 358.353 2.164 20 5 FEBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000776433895 681391603 /nfs/dbraw/zinc/39/16/03/681391603.db2.gz MDZDHTMHLYZHMX-UHFFFAOYSA-N -1 1 370.774 2.489 20 5 FEBDMM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423598 682742467 /nfs/dbraw/zinc/74/24/67/682742467.db2.gz VWFBKVJCATWRTI-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000795622293 683074341 /nfs/dbraw/zinc/07/43/41/683074341.db2.gz MAQJTDOQYOSYLN-UHFFFAOYSA-N -1 1 352.372 2.313 20 5 FEBDMM CO[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000921403526 683458428 /nfs/dbraw/zinc/45/84/28/683458428.db2.gz ZAPBQXSZIAIMGM-GFCCVEGCSA-N -1 1 366.848 2.049 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC000800051463 683525432 /nfs/dbraw/zinc/52/54/32/683525432.db2.gz LUTCSOMWNDXCNT-UHFFFAOYSA-N -1 1 369.330 2.025 20 5 FEBDMM COC[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923263746 684252103 /nfs/dbraw/zinc/25/21/03/684252103.db2.gz HTAXMOQCVJWXFB-CQSZACIVSA-N -1 1 373.203 2.280 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000882870123 687519387 /nfs/dbraw/zinc/51/93/87/687519387.db2.gz AFUGCSDLCNCUOM-RXMQYKEDSA-N -1 1 359.148 2.289 20 5 FEBDMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000016126562 539628141 /nfs/dbraw/zinc/62/81/41/539628141.db2.gz ZSWSFZPCJZAKFL-UHFFFAOYSA-N -1 1 363.395 2.454 20 5 FEBDMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000026527416 539788811 /nfs/dbraw/zinc/78/88/11/539788811.db2.gz FCCCSIUKQBQPCF-UHFFFAOYSA-N -1 1 352.368 2.421 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1C ZINC000032097027 539929107 /nfs/dbraw/zinc/92/91/07/539929107.db2.gz LVUUKWOZNADLTG-UHFFFAOYSA-N -1 1 363.395 2.040 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000064241027 541195944 /nfs/dbraw/zinc/19/59/44/541195944.db2.gz KZAGCBBEFXPALD-UHFFFAOYSA-N -1 1 372.424 2.195 20 5 FEBDMM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000063766657 541184368 /nfs/dbraw/zinc/18/43/68/541184368.db2.gz PKRNFDLUMKARCG-UHFFFAOYSA-N -1 1 372.424 2.195 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)s1 ZINC000071092469 541763476 /nfs/dbraw/zinc/76/34/76/541763476.db2.gz NBXPHDZZQLLZKC-UHFFFAOYSA-N -1 1 351.369 2.038 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)s1 ZINC000106890376 543253188 /nfs/dbraw/zinc/25/31/88/543253188.db2.gz HFVZXTYGQSMTDW-UHFFFAOYSA-N -1 1 364.351 2.292 20 5 FEBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128779764 544072575 /nfs/dbraw/zinc/07/25/75/544072575.db2.gz IAHIAANSWHMCNB-SECBINFHSA-N -1 1 350.824 2.324 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130777073 544164212 /nfs/dbraw/zinc/16/42/12/544164212.db2.gz ZTJKWFKVWYSBTR-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000130777073 544164214 /nfs/dbraw/zinc/16/42/14/544164214.db2.gz ZTJKWFKVWYSBTR-UHFFFAOYSA-N -1 1 353.747 2.320 20 5 FEBDMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186789822 327982867 /nfs/dbraw/zinc/98/28/67/327982867.db2.gz CRXORZNBSCKZDH-UHFFFAOYSA-N -1 1 367.365 2.428 20 5 FEBDMM O=C(NCc1nccn1CCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187175077 328007185 /nfs/dbraw/zinc/00/71/85/328007185.db2.gz DARFIWPVXBWTIN-UHFFFAOYSA-N -1 1 367.365 2.065 20 5 FEBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000191785315 328281643 /nfs/dbraw/zinc/28/16/43/328281643.db2.gz CGAYEPGZLQPVMY-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000193680511 328389306 /nfs/dbraw/zinc/38/93/06/328389306.db2.gz WERGXRJNVXLHNP-SNVBAGLBSA-N -1 1 369.337 2.160 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000031777112 324470694 /nfs/dbraw/zinc/47/06/94/324470694.db2.gz LOAHMGQCALUGTH-UHFFFAOYSA-N -1 1 373.394 2.500 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000116467437 326017058 /nfs/dbraw/zinc/01/70/58/326017058.db2.gz NBEVTUIZCGNJPZ-CJNGLKHVSA-N -1 1 370.409 2.336 20 5 FEBDMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000116903227 326041653 /nfs/dbraw/zinc/04/16/53/326041653.db2.gz GDSAAORSWFDGCV-OAQYLSRUSA-N -1 1 368.864 2.074 20 5 FEBDMM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1 ZINC000174755295 327348605 /nfs/dbraw/zinc/34/86/05/327348605.db2.gz RQZBTXOYUZSZCN-ZDUSSCGKSA-N -1 1 351.746 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000175442630 327393266 /nfs/dbraw/zinc/39/32/66/327393266.db2.gz NSDAAAAQCISKOB-RISCZKNCSA-N -1 1 354.409 2.465 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000275017956 330002597 /nfs/dbraw/zinc/00/25/97/330002597.db2.gz RCELFPDDDHUZDW-LLVKDONJSA-N -1 1 370.365 2.313 20 5 FEBDMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000555120187 674348710 /nfs/dbraw/zinc/34/87/10/674348710.db2.gz OUZSQLBKYRXEJM-UHFFFAOYSA-N -1 1 356.400 2.378 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155645139 545553512 /nfs/dbraw/zinc/55/35/12/545553512.db2.gz YFLKFYBGKVIMJN-MRVPVSSYSA-N -1 1 370.291 2.147 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])n1 ZINC000479470497 561190193 /nfs/dbraw/zinc/19/01/93/561190193.db2.gz RMTBNGCXIJMTRS-UHFFFAOYSA-N -1 1 368.459 2.162 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000481453069 561233042 /nfs/dbraw/zinc/23/30/42/561233042.db2.gz FEULLSKCFGMLRZ-UHFFFAOYSA-N -1 1 351.340 2.060 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1O ZINC000481453069 561233043 /nfs/dbraw/zinc/23/30/43/561233043.db2.gz FEULLSKCFGMLRZ-UHFFFAOYSA-N -1 1 351.340 2.060 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182023781 547424447 /nfs/dbraw/zinc/42/44/47/547424447.db2.gz LREXBEWLENPPPB-DYVFJYSZSA-N -1 1 370.409 2.336 20 5 FEBDMM O=C(NCc1ccc(N2CCCCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186953937 548227664 /nfs/dbraw/zinc/22/76/64/548227664.db2.gz YOBFZHYCWDPOAZ-UHFFFAOYSA-N -1 1 371.397 2.401 20 5 FEBDMM C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000245700418 548978309 /nfs/dbraw/zinc/97/83/09/548978309.db2.gz LREXBEWLENPPPB-CXAGYDPISA-N -1 1 370.409 2.336 20 5 FEBDMM COc1cc(CN(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000263433211 549900961 /nfs/dbraw/zinc/90/09/61/549900961.db2.gz SVWXMIFURARZOY-QMMMGPOBSA-N -1 1 366.292 2.449 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000268493290 550076320 /nfs/dbraw/zinc/07/63/20/550076320.db2.gz PELJFRBDYLVKFQ-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000268497239 550076815 /nfs/dbraw/zinc/07/68/15/550076815.db2.gz QRCYVUQTVMIYHH-UHFFFAOYSA-N -1 1 366.399 2.321 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(F)c1 ZINC000268517311 550080122 /nfs/dbraw/zinc/08/01/22/550080122.db2.gz YUBGQNYPAVJZOO-UHFFFAOYSA-N -1 1 370.362 2.152 20 5 FEBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000268888808 550128256 /nfs/dbraw/zinc/12/82/56/550128256.db2.gz UBEOORKQOIREKM-UHFFFAOYSA-N -1 1 368.367 2.070 20 5 FEBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000271738773 550398351 /nfs/dbraw/zinc/39/83/51/550398351.db2.gz WRTWASYKMADSFJ-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000273628263 550505901 /nfs/dbraw/zinc/50/59/01/550505901.db2.gz SDACSWABFRMJJO-SSDOTTSWSA-N -1 1 360.392 2.242 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCOC2)c(Cl)cc1Cl ZINC000279537590 550900995 /nfs/dbraw/zinc/90/09/95/550900995.db2.gz VEGJFWZBBOUVKX-SSDOTTSWSA-N -1 1 355.199 2.216 20 5 FEBDMM O=C(NCC1CCN(c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000279887149 550939796 /nfs/dbraw/zinc/93/97/96/550939796.db2.gz HKAXTUDPZWUCKS-UHFFFAOYSA-N -1 1 356.382 2.342 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1 ZINC000280400895 550989527 /nfs/dbraw/zinc/98/95/27/550989527.db2.gz XRHBUCFECHCIAI-SNVBAGLBSA-N -1 1 352.372 2.013 20 5 FEBDMM CN1CCN(Cc2cccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])c2)CC1 ZINC000280885740 551042621 /nfs/dbraw/zinc/04/26/21/551042621.db2.gz ZANUTCVJJYCYKD-UHFFFAOYSA-N -1 1 370.409 2.300 20 5 FEBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000282735832 551264912 /nfs/dbraw/zinc/26/49/12/551264912.db2.gz SWKRLIWIOXNNRI-UHFFFAOYSA-N -1 1 364.305 2.305 20 5 FEBDMM COCCc1ccnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285134779 551709502 /nfs/dbraw/zinc/70/95/02/551709502.db2.gz QJCBIRKDSSUATB-UHFFFAOYSA-N -1 1 365.411 2.163 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000285198945 551719372 /nfs/dbraw/zinc/71/93/72/551719372.db2.gz VXFLVSIAMFOOCL-UHFFFAOYSA-N -1 1 366.395 2.465 20 5 FEBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289814400 552382710 /nfs/dbraw/zinc/38/27/10/552382710.db2.gz KJBBYEDEZLPKQL-XCBNKYQSSA-N -1 1 352.771 2.091 20 5 FEBDMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291604042 552642329 /nfs/dbraw/zinc/64/23/29/552642329.db2.gz AHHALSPEJLRLQP-UHFFFAOYSA-N -1 1 368.367 2.188 20 5 FEBDMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296309732 553138710 /nfs/dbraw/zinc/13/87/10/553138710.db2.gz OAZUEOTUVRVKMF-MRVPVSSYSA-N -1 1 357.215 2.197 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000324162338 553771570 /nfs/dbraw/zinc/77/15/70/553771570.db2.gz DEZXRNVCVKCKQD-UHFFFAOYSA-N -1 1 352.324 2.108 20 5 FEBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1O ZINC000327590163 553789911 /nfs/dbraw/zinc/78/99/11/553789911.db2.gz FQKFCZXWPFNIMG-UHFFFAOYSA-N -1 1 366.351 2.196 20 5 FEBDMM O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327677102 553790731 /nfs/dbraw/zinc/79/07/31/553790731.db2.gz BTBRVXLAZVTXNT-GFCCVEGCSA-N -1 1 374.390 2.436 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(CSC)cc2)c([N+](=O)[O-])n1 ZINC000511416440 561868400 /nfs/dbraw/zinc/86/84/00/561868400.db2.gz SHKIUEOCFMJZCI-UHFFFAOYSA-N -1 1 370.456 2.153 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000511657335 561876709 /nfs/dbraw/zinc/87/67/09/561876709.db2.gz FUENRHVFSGHAFT-UHFFFAOYSA-N -1 1 368.349 2.491 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000511657335 561876711 /nfs/dbraw/zinc/87/67/11/561876711.db2.gz FUENRHVFSGHAFT-UHFFFAOYSA-N -1 1 368.349 2.491 20 5 FEBDMM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364769409 555397649 /nfs/dbraw/zinc/39/76/49/555397649.db2.gz JXMZQHKEHDLURF-CYBMUJFWSA-N -1 1 356.382 2.342 20 5 FEBDMM O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000367783967 556138772 /nfs/dbraw/zinc/13/87/72/556138772.db2.gz NCNZHCXOLCJASL-UHFFFAOYSA-N -1 1 370.365 2.244 20 5 FEBDMM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000515467604 562011494 /nfs/dbraw/zinc/01/14/94/562011494.db2.gz FSEZWUBDTZXIIG-KBTIHESUSA-N -1 1 369.182 2.043 20 5 FEBDMM CC(C)c1nccn1[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369355670 556578251 /nfs/dbraw/zinc/57/82/51/556578251.db2.gz YHSCFIAVIBZIQP-ZDUSSCGKSA-N -1 1 359.386 2.493 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1C ZINC000518917209 562121092 /nfs/dbraw/zinc/12/10/92/562121092.db2.gz HGSWDKJUXKPTRY-UHFFFAOYSA-N -1 1 366.395 2.384 20 5 FEBDMM Cc1ccc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)nc1 ZINC000373882879 557779854 /nfs/dbraw/zinc/77/98/54/557779854.db2.gz PPDAOASAPIULOR-UHFFFAOYSA-N -1 1 358.354 2.082 20 5 FEBDMM Cc1ccccc1C1(O)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373895245 557782003 /nfs/dbraw/zinc/78/20/03/557782003.db2.gz MXXOZNRZOCSRPP-UHFFFAOYSA-N -1 1 357.366 2.128 20 5 FEBDMM Cc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(Cl)c1 ZINC000520950293 562166357 /nfs/dbraw/zinc/16/63/57/562166357.db2.gz QCNYJSVISUXDBL-UHFFFAOYSA-N -1 1 364.745 2.026 20 5 FEBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525185897 562242327 /nfs/dbraw/zinc/24/23/27/562242327.db2.gz XACKFJAKUWYQQL-UHFFFAOYSA-N -1 1 351.384 2.256 20 5 FEBDMM COC(=O)c1cc(C(=O)[N-]c2nc(SC)ns2)cc([N+](=O)[O-])c1 ZINC000525334075 562246267 /nfs/dbraw/zinc/24/62/67/562246267.db2.gz OJPZFQNOFSFUCJ-UHFFFAOYSA-N -1 1 354.369 2.207 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000525687654 562252265 /nfs/dbraw/zinc/25/22/65/562252265.db2.gz LMQPMNUEYNXAJC-MRXNPFEDSA-N -1 1 370.390 2.453 20 5 FEBDMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421927779 559556951 /nfs/dbraw/zinc/55/69/51/559556951.db2.gz SMDDMYBCBUJUAR-WDEREUQCSA-N -1 1 365.386 2.278 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000431644170 559843264 /nfs/dbraw/zinc/84/32/64/559843264.db2.gz ROEVNAOXPVMVNL-AULYBMBSSA-N -1 1 368.390 2.175 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436162988 559936412 /nfs/dbraw/zinc/93/64/12/559936412.db2.gz USSGZBXLKOMRBI-UHFFFAOYSA-N -1 1 364.379 2.482 20 5 FEBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443308438 560078938 /nfs/dbraw/zinc/07/89/38/560078938.db2.gz QICGATGEZGBRCI-TVQRCGJNSA-N -1 1 350.824 2.324 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[n-]n1 ZINC000444295902 560108456 /nfs/dbraw/zinc/10/84/56/560108456.db2.gz PUIBXKPTUNDLGK-NSHDSACASA-N -1 1 362.393 2.070 20 5 FEBDMM O=c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386747 560683644 /nfs/dbraw/zinc/68/36/44/560683644.db2.gz YIUDZYRXXKYAOR-LBPRGKRZSA-N -1 1 356.386 2.049 20 5 FEBDMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000461316654 560766648 /nfs/dbraw/zinc/76/66/48/560766648.db2.gz MEFLIVDZCOJYNI-UHFFFAOYSA-N -1 1 357.305 2.167 20 5 FEBDMM O=C(c1csc(=NC2CC2)[n-]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411745 560770533 /nfs/dbraw/zinc/77/05/33/560770533.db2.gz RRROGKCGHMYXGA-UHFFFAOYSA-N -1 1 360.395 2.660 20 5 FEBDMM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)ccc1[N+](=O)[O-] ZINC000461612018 560776599 /nfs/dbraw/zinc/77/65/99/560776599.db2.gz VJLQTSUQTUWLMW-UHFFFAOYSA-N -1 1 356.338 2.052 20 5 FEBDMM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(O[C@H]2CCOC2)c1 ZINC000468867102 560940817 /nfs/dbraw/zinc/94/08/17/560940817.db2.gz FMNWZQFOPCXHJD-AWEZNQCLSA-N -1 1 373.365 2.102 20 5 FEBDMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000532386224 562476090 /nfs/dbraw/zinc/47/60/90/562476090.db2.gz BBILMEKZZQRCAP-LLVKDONJSA-N -1 1 365.386 2.279 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2oc3ccccc3c2C)c([N+](=O)[O-])n1 ZINC000532853336 562490466 /nfs/dbraw/zinc/49/04/66/562490466.db2.gz DKFPUEHNUWBSKQ-UHFFFAOYSA-N -1 1 364.383 2.344 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)c([N+](=O)[O-])n1 ZINC000533635351 562515055 /nfs/dbraw/zinc/51/50/55/562515055.db2.gz ZWQKNHTUJUPLEJ-GFCCVEGCSA-N -1 1 352.416 2.468 20 5 FEBDMM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540941273 562597740 /nfs/dbraw/zinc/59/77/40/562597740.db2.gz QQQXWGUVQQHUPN-UHFFFAOYSA-N -1 1 373.431 2.170 20 5 FEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000550100245 562642512 /nfs/dbraw/zinc/64/25/12/562642512.db2.gz PMYUUZWFOAOPQU-UHFFFAOYSA-N -1 1 364.383 2.425 20 5 FEBDMM CN(Cc1ccccc1[N+](=O)[O-])c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736829229 598958606 /nfs/dbraw/zinc/95/86/06/598958606.db2.gz XVMXOSOYGMCPIT-UHFFFAOYSA-N -1 1 362.353 2.355 20 5 FEBDMM CN(Cc1ccccc1[N+](=O)[O-])c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736829229 598958607 /nfs/dbraw/zinc/95/86/07/598958607.db2.gz XVMXOSOYGMCPIT-UHFFFAOYSA-N -1 1 362.353 2.355 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccnc2Br)c(-c2nnn[n-]2)c1 ZINC000738374440 598499720 /nfs/dbraw/zinc/49/97/20/598499720.db2.gz OLYNPPLIZQUJBD-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM O=[N+]([O-])c1cnc(Oc2cccnc2Br)c(-c2nn[n-]n2)c1 ZINC000738374440 598499721 /nfs/dbraw/zinc/49/97/21/598499721.db2.gz OLYNPPLIZQUJBD-UHFFFAOYSA-N -1 1 364.119 2.120 20 5 FEBDMM COC(=O)c1cc(Oc2cccc(F)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736951265 598789245 /nfs/dbraw/zinc/78/92/45/598789245.db2.gz QJEAIPMWRXIGDW-UHFFFAOYSA-N -1 1 359.273 2.493 20 5 FEBDMM COC(=O)c1cc(Oc2cccc(F)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736951265 598789246 /nfs/dbraw/zinc/78/92/46/598789246.db2.gz QJEAIPMWRXIGDW-UHFFFAOYSA-N -1 1 359.273 2.493 20 5 FEBDMM O=C([O-])CCc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000739777251 600633324 /nfs/dbraw/zinc/63/33/24/600633324.db2.gz LZTLLPZGHYOQAT-UHFFFAOYSA-N -1 1 356.747 2.369 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cn2)cc1Cl ZINC000809826824 674513398 /nfs/dbraw/zinc/51/33/98/674513398.db2.gz RQRYIFCLBALDIV-UHFFFAOYSA-N -1 1 363.729 2.400 20 5 FEBDMM CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000826887244 605411724 /nfs/dbraw/zinc/41/17/24/605411724.db2.gz NEFVDMGSUKBMTK-UHFFFAOYSA-N -1 1 367.406 2.436 20 5 FEBDMM Cc1ccc2c(c1C)OC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822280462 606706959 /nfs/dbraw/zinc/70/69/59/606706959.db2.gz OKMJFZWEKSGEQB-LBPRGKRZSA-N -1 1 353.342 2.332 20 5 FEBDMM Cc1ccc2c(c1C)OC[C@@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822280462 606706961 /nfs/dbraw/zinc/70/69/61/606706961.db2.gz OKMJFZWEKSGEQB-LBPRGKRZSA-N -1 1 353.342 2.332 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(-n2cccn2)c1 ZINC000823629861 606713060 /nfs/dbraw/zinc/71/30/60/606713060.db2.gz KABAIBNTCDDPRJ-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(-n2cccn2)c1 ZINC000823629861 606713061 /nfs/dbraw/zinc/71/30/61/606713061.db2.gz KABAIBNTCDDPRJ-UHFFFAOYSA-N -1 1 350.298 2.148 20 5 FEBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362273 606713341 /nfs/dbraw/zinc/71/33/41/606713341.db2.gz ZEMDCPYTUDYOMQ-VXGBXAGGSA-N -1 1 359.390 2.320 20 5 FEBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCCC2 ZINC000821362273 606713342 /nfs/dbraw/zinc/71/33/42/606713342.db2.gz ZEMDCPYTUDYOMQ-VXGBXAGGSA-N -1 1 359.390 2.320 20 5 FEBDMM COc1cccc2c1CC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821877892 606721544 /nfs/dbraw/zinc/72/15/44/606721544.db2.gz YIJLHPFLOIQVMG-LBPRGKRZSA-N -1 1 353.342 2.278 20 5 FEBDMM COc1cccc2c1CC[C@@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821877892 606721546 /nfs/dbraw/zinc/72/15/46/606721546.db2.gz YIJLHPFLOIQVMG-LBPRGKRZSA-N -1 1 353.342 2.278 20 5 FEBDMM COc1cccc2c1CC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821877891 606722003 /nfs/dbraw/zinc/72/20/03/606722003.db2.gz YIJLHPFLOIQVMG-GFCCVEGCSA-N -1 1 353.342 2.278 20 5 FEBDMM COc1cccc2c1CC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821877891 606722005 /nfs/dbraw/zinc/72/20/05/606722005.db2.gz YIJLHPFLOIQVMG-GFCCVEGCSA-N -1 1 353.342 2.278 20 5 FEBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820232102 607039746 /nfs/dbraw/zinc/03/97/46/607039746.db2.gz DGAVJFUUNOAIAX-ZANVPECISA-N -1 1 373.348 2.233 20 5 FEBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820232102 607039748 /nfs/dbraw/zinc/03/97/48/607039748.db2.gz DGAVJFUUNOAIAX-ZANVPECISA-N -1 1 373.348 2.233 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc2c(c1)OCCCO2 ZINC000823629568 607164224 /nfs/dbraw/zinc/16/42/24/607164224.db2.gz AGDREGSKQYBGHK-UHFFFAOYSA-N -1 1 372.366 2.482 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc2c(c1)OCCCO2 ZINC000823629568 607164225 /nfs/dbraw/zinc/16/42/25/607164225.db2.gz AGDREGSKQYBGHK-UHFFFAOYSA-N -1 1 372.366 2.482 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000824670624 607850154 /nfs/dbraw/zinc/85/01/54/607850154.db2.gz SOVCUJMDYZRPRI-SKDRFNHKSA-N -1 1 353.342 2.147 20 5 FEBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000824670624 607850155 /nfs/dbraw/zinc/85/01/55/607850155.db2.gz SOVCUJMDYZRPRI-SKDRFNHKSA-N -1 1 353.342 2.147 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC000815027903 674901942 /nfs/dbraw/zinc/90/19/42/674901942.db2.gz ZDKVJKXXJGGKQX-KYZUINATSA-N -1 1 366.798 2.217 20 5 FEBDMM COC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815032213 674903274 /nfs/dbraw/zinc/90/32/74/674903274.db2.gz QEYGVHGIAWRLHL-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000815032780 674903358 /nfs/dbraw/zinc/90/33/58/674903358.db2.gz YEGZZLIFKPIULO-DTWKUNHWSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045000 674906442 /nfs/dbraw/zinc/90/64/42/674906442.db2.gz LHCIHJMNLNRBGZ-MUWHJKNJSA-N -1 1 354.812 2.417 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000815047470 674907371 /nfs/dbraw/zinc/90/73/71/674907371.db2.gz IQAAGSQKVSQLFF-LLVKDONJSA-N -1 1 366.798 2.217 20 5 FEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1 ZINC000565331751 675112295 /nfs/dbraw/zinc/11/22/95/675112295.db2.gz KTVIOJJMDODLND-UHFFFAOYSA-N -1 1 363.395 2.040 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000572672298 671029907 /nfs/dbraw/zinc/02/99/07/671029907.db2.gz LPKWYRKRBLOPRV-TVQRCGJNSA-N -1 1 369.424 2.032 20 5 FEBDMM CCN(CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])CCC(F)(F)F ZINC000577733868 671617092 /nfs/dbraw/zinc/61/70/92/671617092.db2.gz GUGDGNJFFFCKCM-UHFFFAOYSA-N -1 1 350.297 2.374 20 5 FEBDMM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000118517844 671886381 /nfs/dbraw/zinc/88/63/81/671886381.db2.gz RJCYIEXYVVVVQS-GFCCVEGCSA-N -1 1 372.164 2.466 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000126379299 672023839 /nfs/dbraw/zinc/02/38/39/672023839.db2.gz HKDIJTYBVPKCRK-HIFRSBDPSA-N -1 1 368.798 2.185 20 5 FEBDMM CN(C)c1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170662131 672323617 /nfs/dbraw/zinc/32/36/17/672323617.db2.gz DRAQEAXNEITZAW-UHFFFAOYSA-N -1 1 370.818 2.188 20 5 FEBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000224008332 672794318 /nfs/dbraw/zinc/79/43/18/672794318.db2.gz WRSYFVXKJQAFJQ-UHFFFAOYSA-N -1 1 374.216 2.174 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c([N+](=O)[O-])n1 ZINC000612138441 676070814 /nfs/dbraw/zinc/07/08/14/676070814.db2.gz VDMOKSAKXCACDR-UHFFFAOYSA-N -1 1 352.363 2.058 20 5 FEBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H](C)CC1 ZINC000594838404 673157883 /nfs/dbraw/zinc/15/78/83/673157883.db2.gz ZBFNGHZPAJJERM-GMZHKTEUSA-N -1 1 362.429 2.057 20 5 FEBDMM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000594859160 673167303 /nfs/dbraw/zinc/16/73/03/673167303.db2.gz BFKQVEXQXNFQGE-NWDGAFQWSA-N -1 1 370.456 2.080 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000594871531 673173363 /nfs/dbraw/zinc/17/33/63/673173363.db2.gz NCBOITKKKVMVSI-CHWSQXEVSA-N -1 1 350.400 2.036 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000735527639 673496080 /nfs/dbraw/zinc/49/60/80/673496080.db2.gz KCBLBWUYZPGTBN-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599410798 673671742 /nfs/dbraw/zinc/67/17/42/673671742.db2.gz RBIJSZVYOJVPGD-SNVBAGLBSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000566543893 675222944 /nfs/dbraw/zinc/22/29/44/675222944.db2.gz KNMOQKQVWDSHIX-JTQLQIEISA-N -1 1 369.374 2.047 20 5 FEBDMM CC(=O)c1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c([N+](=O)[O-])c1 ZINC000749948429 680088974 /nfs/dbraw/zinc/08/89/74/680088974.db2.gz KGZVPFKELUEOHK-UHFFFAOYSA-N -1 1 353.356 2.412 20 5 FEBDMM CC(=O)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000749948429 680088979 /nfs/dbraw/zinc/08/89/79/680088979.db2.gz KGZVPFKELUEOHK-UHFFFAOYSA-N -1 1 353.356 2.412 20 5 FEBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC ZINC000751987305 680216014 /nfs/dbraw/zinc/21/60/14/680216014.db2.gz FJEKYCXEDBFOLN-SECBINFHSA-N -1 1 350.418 2.057 20 5 FEBDMM Cc1cc(F)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000753769589 680313205 /nfs/dbraw/zinc/31/32/05/680313205.db2.gz GVMDCTJVQDKPBD-UHFFFAOYSA-N -1 1 369.330 2.124 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1OC ZINC000754791854 680378811 /nfs/dbraw/zinc/37/88/11/680378811.db2.gz MESVIXCYLSBCEW-GFCCVEGCSA-N -1 1 368.415 2.249 20 5 FEBDMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841549966 680895959 /nfs/dbraw/zinc/89/59/59/680895959.db2.gz IMZSWHZJPGBYPL-KOLCDFICSA-N -1 1 352.771 2.233 20 5 FEBDMM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842329142 680938975 /nfs/dbraw/zinc/93/89/75/680938975.db2.gz KKFPWUDBICJPSZ-PTHKFVFGSA-N -1 1 367.210 2.166 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cs1 ZINC000768861792 680962048 /nfs/dbraw/zinc/96/20/48/680962048.db2.gz KAWDZDMEZKCCOW-UHFFFAOYSA-N -1 1 351.369 2.038 20 5 FEBDMM CCCCn1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)n1 ZINC000768880524 680962967 /nfs/dbraw/zinc/96/29/67/680962967.db2.gz DAUUWMQGMQXBAA-UHFFFAOYSA-N -1 1 358.445 2.440 20 5 FEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842936281 680976148 /nfs/dbraw/zinc/97/61/48/680976148.db2.gz SLSFRHJCYBVZNK-ZJUUUORDSA-N -1 1 355.778 2.372 20 5 FEBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000773565473 681148361 /nfs/dbraw/zinc/14/83/61/681148361.db2.gz JCELWRJHSJBZDD-UHFFFAOYSA-N -1 1 352.249 2.374 20 5 FEBDMM CCc1nnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848589051 681584897 /nfs/dbraw/zinc/58/48/97/681584897.db2.gz FBMWKTAOBDFEQP-UHFFFAOYSA-N -1 1 358.326 2.297 20 5 FEBDMM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1OC ZINC000849371521 681698444 /nfs/dbraw/zinc/69/84/44/681698444.db2.gz XTYMSVUZUSZWMM-LBPRGKRZSA-N -1 1 351.384 2.428 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@]12C[C@H]1COC21CCC1 ZINC000922106316 683660510 /nfs/dbraw/zinc/66/05/10/683660510.db2.gz NNQHGHIVKFAHRW-LKFCYVNXSA-N -1 1 358.803 2.238 20 5 FEBDMM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nc(C(F)(F)F)n[nH]3)n2)cc1 ZINC000480279919 686151469 /nfs/dbraw/zinc/15/14/69/686151469.db2.gz DGLYDGZLIXFZJS-UHFFFAOYSA-N -1 1 355.236 2.394 20 5 FEBDMM CCCc1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000018840049 539649827 /nfs/dbraw/zinc/64/98/27/539649827.db2.gz XITDDSQKJMMLTF-UHFFFAOYSA-N -1 1 370.412 2.055 20 5 FEBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000024485202 539733317 /nfs/dbraw/zinc/73/33/17/539733317.db2.gz YRJSNTOEBGHYMT-SNVBAGLBSA-N -1 1 370.408 2.239 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000032631903 539945838 /nfs/dbraw/zinc/94/58/38/539945838.db2.gz XRSIKFZXNWAEOC-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000800927843 674090227 /nfs/dbraw/zinc/09/02/27/674090227.db2.gz DIQRUQZPPMBARG-UHFFFAOYSA-N -1 1 354.315 2.306 20 5 FEBDMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000800930315 674090974 /nfs/dbraw/zinc/09/09/74/674090974.db2.gz JXUPVOAWGLEIOU-UHFFFAOYSA-N -1 1 371.758 2.231 20 5 FEBDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000047654603 540322912 /nfs/dbraw/zinc/32/29/12/540322912.db2.gz RABZSHLAJOQLKW-UHFFFAOYSA-N -1 1 363.395 2.454 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000066327386 541302615 /nfs/dbraw/zinc/30/26/15/541302615.db2.gz YFLPKTPNPPDYMW-ZDUSSCGKSA-N -1 1 367.452 2.209 20 5 FEBDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000066638974 541352146 /nfs/dbraw/zinc/35/21/46/541352146.db2.gz LAMBDZQJRGMXGC-UHFFFAOYSA-N -1 1 350.404 2.250 20 5 FEBDMM CC(C)n1c(CCNC(=O)COc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067073176 541413877 /nfs/dbraw/zinc/41/38/77/541413877.db2.gz VBQCYKJDQHCOPL-UHFFFAOYSA-N -1 1 365.415 2.167 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000067123930 541420650 /nfs/dbraw/zinc/42/06/50/541420650.db2.gz DBXDJGASJCDKJF-UHFFFAOYSA-N -1 1 363.351 2.393 20 5 FEBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)c1ccccc1 ZINC000067876950 541523976 /nfs/dbraw/zinc/52/39/76/541523976.db2.gz YVWYZRUUDNMXTB-LLVKDONJSA-N -1 1 355.441 2.460 20 5 FEBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000068940242 541642733 /nfs/dbraw/zinc/64/27/33/541642733.db2.gz XRZLQOUBRMTDPK-UHFFFAOYSA-N -1 1 358.322 2.230 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000102862913 543083850 /nfs/dbraw/zinc/08/38/50/543083850.db2.gz ZMCXKENIEJJPGT-UHFFFAOYSA-N -1 1 363.351 2.149 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1O ZINC000151940048 544598069 /nfs/dbraw/zinc/59/80/69/544598069.db2.gz NICBYLYSUUTNGW-KBPBESRZSA-N -1 1 368.798 2.185 20 5 FEBDMM COc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000185848929 327935545 /nfs/dbraw/zinc/93/55/45/327935545.db2.gz RYXQWCIJHDUMSK-UHFFFAOYSA-N -1 1 351.746 2.330 20 5 FEBDMM CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)cc1 ZINC000191781139 328281452 /nfs/dbraw/zinc/28/14/52/328281452.db2.gz QIPNVFHICUILHE-INIZCTEOSA-N -1 1 357.366 2.472 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c2ncccc12 ZINC000192135552 328301639 /nfs/dbraw/zinc/30/16/39/328301639.db2.gz TVYOUKKQLQDZCG-UHFFFAOYSA-N -1 1 367.280 2.322 20 5 FEBDMM CC(C)(C)C1CCC(O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193572802 328382419 /nfs/dbraw/zinc/38/24/19/328382419.db2.gz SIUGIJFBWIXQOW-UHFFFAOYSA-N -1 1 351.403 2.393 20 5 FEBDMM Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1C ZINC000016494790 324386347 /nfs/dbraw/zinc/38/63/47/324386347.db2.gz VUCVWKUPCHOWEH-UHFFFAOYSA-N -1 1 356.382 2.275 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025531407 324419726 /nfs/dbraw/zinc/41/97/26/324419726.db2.gz MAZDUTHCDUKEDQ-UHFFFAOYSA-N -1 1 356.313 2.102 20 5 FEBDMM CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102792197 325498757 /nfs/dbraw/zinc/49/87/57/325498757.db2.gz ABIQGGGIFSJVRJ-UHFFFAOYSA-N -1 1 351.746 2.500 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000119435636 326162277 /nfs/dbraw/zinc/16/22/77/326162277.db2.gz KEJIHIZJWCBROV-SFHVURJKSA-N -1 1 355.350 2.010 20 5 FEBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccccc2)no1 ZINC000125410744 326471043 /nfs/dbraw/zinc/47/10/43/326471043.db2.gz QGMWBDNQFKHVMZ-JTQLQIEISA-N -1 1 369.337 2.279 20 5 FEBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CO2 ZINC000152565361 326710606 /nfs/dbraw/zinc/71/06/06/326710606.db2.gz GLRRCXGSHARAIZ-CYBMUJFWSA-N -1 1 352.343 2.454 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000159917594 326946967 /nfs/dbraw/zinc/94/69/67/326946967.db2.gz WCTNPZSVAYJRES-SNVBAGLBSA-N -1 1 357.413 2.490 20 5 FEBDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162979462 327039737 /nfs/dbraw/zinc/03/97/37/327039737.db2.gz JMNWKWASANVGGV-UHFFFAOYSA-N -1 1 353.338 2.058 20 5 FEBDMM CCc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000175406455 327390982 /nfs/dbraw/zinc/39/09/82/327390982.db2.gz WMNDOTMFIGQOCE-UHFFFAOYSA-N -1 1 356.382 2.220 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000161054151 546096407 /nfs/dbraw/zinc/09/64/07/546096407.db2.gz JLQDDYOPAISHAJ-GFCCVEGCSA-N -1 1 370.814 2.130 20 5 FEBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000479174471 561183477 /nfs/dbraw/zinc/18/34/77/561183477.db2.gz XNKIWLGCOOFRTB-SNVBAGLBSA-N -1 1 368.367 2.404 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000480855870 561218394 /nfs/dbraw/zinc/21/83/94/561218394.db2.gz WZUPVZIKADERAH-LBPRGKRZSA-N -1 1 350.824 2.322 20 5 FEBDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178949992 546879172 /nfs/dbraw/zinc/87/91/72/546879172.db2.gz CVWJFWCXIUGRKA-WFASDCNBSA-N -1 1 367.452 2.380 20 5 FEBDMM Cc1cscc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000487365723 561368408 /nfs/dbraw/zinc/36/84/08/561368408.db2.gz JJZQVYYASFHWAE-UHFFFAOYSA-N -1 1 370.408 2.214 20 5 FEBDMM CCSc1cccc(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000490330893 561431049 /nfs/dbraw/zinc/43/10/49/561431049.db2.gz GJVLLTQIQOEJLC-UHFFFAOYSA-N -1 1 370.456 2.402 20 5 FEBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000490547623 561434880 /nfs/dbraw/zinc/43/48/80/561434880.db2.gz LOJZDCFTYIGNJV-UHFFFAOYSA-N -1 1 358.416 2.136 20 5 FEBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919525 550611048 /nfs/dbraw/zinc/61/10/48/550611048.db2.gz LAQYCUJXIFYFTH-DTWKUNHWSA-N -1 1 371.394 2.405 20 5 FEBDMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277972421 550734420 /nfs/dbraw/zinc/73/44/20/550734420.db2.gz FHAOAQCCRXJPHN-MEBBXXQBSA-N -1 1 361.354 2.210 20 5 FEBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000289503192 552331869 /nfs/dbraw/zinc/33/18/69/552331869.db2.gz LBHYUIXKLYYMOT-UHFFFAOYSA-N -1 1 356.429 2.104 20 5 FEBDMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289814386 552382623 /nfs/dbraw/zinc/38/26/23/552382623.db2.gz KJBBYEDEZLPKQL-GMSGAONNSA-N -1 1 352.771 2.091 20 5 FEBDMM O=C([N-]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1)C(F)(F)F ZINC000290578316 552501559 /nfs/dbraw/zinc/50/15/59/552501559.db2.gz BRZZTZTXGQFIER-QMMMGPOBSA-N -1 1 373.291 2.026 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000290724230 552526282 /nfs/dbraw/zinc/52/62/82/552526282.db2.gz KRLGEYLYCHAMDO-QMMMGPOBSA-N -1 1 366.798 2.481 20 5 FEBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290888695 552556096 /nfs/dbraw/zinc/55/60/96/552556096.db2.gz ZMURSYJBWICPIS-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000292138986 552697733 /nfs/dbraw/zinc/69/77/33/552697733.db2.gz YRPFQYXFLJTQGV-UHFFFAOYSA-N -1 1 368.367 2.188 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC2)c1Cl ZINC000295325575 552987384 /nfs/dbraw/zinc/98/73/84/552987384.db2.gz GZAVCDNNEXPQKB-SSDOTTSWSA-N -1 1 355.199 2.216 20 5 FEBDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000327187374 553786689 /nfs/dbraw/zinc/78/66/89/553786689.db2.gz KVZVDVYQZXAACS-UHFFFAOYSA-N -1 1 364.379 2.420 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1 ZINC000507639876 561736121 /nfs/dbraw/zinc/73/61/21/561736121.db2.gz XXJOGLAVGSSOLI-UHFFFAOYSA-N -1 1 352.368 2.157 20 5 FEBDMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330450018 554123075 /nfs/dbraw/zinc/12/30/75/554123075.db2.gz IFCUNJURPNNQJT-GHMZBOCLSA-N -1 1 362.477 2.154 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(C2CC2)CCOCC1 ZINC000364848611 555414566 /nfs/dbraw/zinc/41/45/66/555414566.db2.gz CCWXQCLDAXOBGC-UHFFFAOYSA-N -1 1 360.819 2.486 20 5 FEBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513661524 561946105 /nfs/dbraw/zinc/94/61/05/561946105.db2.gz SUTMOKZQSNGUGV-UHFFFAOYSA-N -1 1 365.367 2.424 20 5 FEBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000514342722 561965882 /nfs/dbraw/zinc/96/58/82/561965882.db2.gz JQXRHERJEDXUEZ-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@H](c2ccccc2Cl)C1 ZINC000374878851 557945076 /nfs/dbraw/zinc/94/50/76/557945076.db2.gz OFKPOGXUCOSFBM-ZDUSSCGKSA-N -1 1 362.773 2.136 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000521562514 562178811 /nfs/dbraw/zinc/17/88/11/562178811.db2.gz VPAOSUIHBZWYBF-MRVPVSSYSA-N -1 1 364.326 2.470 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377977268 558456572 /nfs/dbraw/zinc/45/65/72/558456572.db2.gz VERBCLZZTBZYBZ-SFHVURJKSA-N -1 1 355.350 2.305 20 5 FEBDMM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000416550463 559321136 /nfs/dbraw/zinc/32/11/36/559321136.db2.gz RJHXKSQMBZOKNK-JTQLQIEISA-N -1 1 354.409 2.111 20 5 FEBDMM O=C([O-])CC[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424258279 559659667 /nfs/dbraw/zinc/65/96/67/559659667.db2.gz LMRUWXVDXGORSM-CQSZACIVSA-N -1 1 361.398 2.203 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1Cc2cccc(O)c2C1 ZINC000428416889 559775186 /nfs/dbraw/zinc/77/51/86/559775186.db2.gz BMWYGPKPFHISTK-SNVBAGLBSA-N -1 1 368.798 2.400 20 5 FEBDMM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000432181673 559853541 /nfs/dbraw/zinc/85/35/41/559853541.db2.gz DTSATBHILSYYDP-UHFFFAOYSA-N -1 1 364.335 2.296 20 5 FEBDMM Cc1ccc(NCCCNC(=O)C(=O)c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000436700051 559949159 /nfs/dbraw/zinc/94/91/59/559949159.db2.gz UBCHZFALZVTCHI-UHFFFAOYSA-N -1 1 357.366 2.410 20 5 FEBDMM O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436991352 559958803 /nfs/dbraw/zinc/95/88/03/559958803.db2.gz SNLXMQPRRDHMAL-CQSZACIVSA-N -1 1 353.338 2.132 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000438710398 559982570 /nfs/dbraw/zinc/98/25/70/559982570.db2.gz AMPZLPCULQFQLF-UHFFFAOYSA-N -1 1 350.352 2.491 20 5 FEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000442241797 560046611 /nfs/dbraw/zinc/04/66/11/560046611.db2.gz MGKOQJKUYZXSEZ-UHFFFAOYSA-N -1 1 362.367 2.296 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000443163009 560073362 /nfs/dbraw/zinc/07/33/62/560073362.db2.gz WQYWHRWKXRJPAW-UHFFFAOYSA-N -1 1 374.806 2.407 20 5 FEBDMM O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997381 560126412 /nfs/dbraw/zinc/12/64/12/560126412.db2.gz FMAJXRMIIYYALJ-UHFFFAOYSA-N -1 1 361.264 2.616 20 5 FEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000445134264 560129525 /nfs/dbraw/zinc/12/95/25/560129525.db2.gz JOFFEXPWRBPKPI-GFCCVEGCSA-N -1 1 367.365 2.431 20 5 FEBDMM CSc1nnc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000445722836 560134251 /nfs/dbraw/zinc/13/42/51/560134251.db2.gz JPKNQJLUIOFLPT-UHFFFAOYSA-N -1 1 374.469 2.264 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)c([N+](=O)[O-])n1 ZINC000451640530 560318788 /nfs/dbraw/zinc/31/87/88/560318788.db2.gz FCCWATGVPLBDDI-UHFFFAOYSA-N -1 1 368.390 2.306 20 5 FEBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467065529 560902732 /nfs/dbraw/zinc/90/27/32/560902732.db2.gz ZKUSNUSHRUONJO-VIFPVBQESA-N -1 1 362.454 2.347 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000468544184 560932546 /nfs/dbraw/zinc/93/25/46/560932546.db2.gz RIVQIGUBLOMNRM-UHFFFAOYSA-N -1 1 372.305 2.460 20 5 FEBDMM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000473843234 561058752 /nfs/dbraw/zinc/05/87/52/561058752.db2.gz MLHJDEXBDBWELW-AWEZNQCLSA-N -1 1 359.382 2.463 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000530677335 562420210 /nfs/dbraw/zinc/42/02/10/562420210.db2.gz IZBBWUFYRBZXLK-CYBMUJFWSA-N -1 1 365.436 2.299 20 5 FEBDMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000530903698 562428195 /nfs/dbraw/zinc/42/81/95/562428195.db2.gz DXHUPZUUWDZENV-CHWSQXEVSA-N -1 1 357.432 2.252 20 5 FEBDMM CC(C)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000534065546 562524579 /nfs/dbraw/zinc/52/45/79/562524579.db2.gz WWCJNBZNNSGLLU-VIFPVBQESA-N -1 1 371.198 2.289 20 5 FEBDMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535531673 562560543 /nfs/dbraw/zinc/56/05/43/562560543.db2.gz CHFFHPYGEMVOCA-SECBINFHSA-N -1 1 364.807 2.258 20 5 FEBDMM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000535834247 562569222 /nfs/dbraw/zinc/56/92/22/562569222.db2.gz OENSMVQYESDVHK-UHFFFAOYSA-N -1 1 365.386 2.326 20 5 FEBDMM Cc1c(Br)c(=O)n(CC(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000541290857 562608126 /nfs/dbraw/zinc/60/81/26/562608126.db2.gz RKNROOAADZTGGP-UHFFFAOYSA-N -1 1 367.155 2.416 20 5 FEBDMM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nn[nH]n1 ZINC000822128436 607255744 /nfs/dbraw/zinc/25/57/44/607255744.db2.gz CEAGBDCOONGUJZ-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000808320816 674452232 /nfs/dbraw/zinc/45/22/32/674452232.db2.gz MMPAUHLFPNNXBL-SSDOTTSWSA-N -1 1 371.293 2.349 20 5 FEBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)C3)c2)C1 ZINC000820728642 599512868 /nfs/dbraw/zinc/51/28/68/599512868.db2.gz XQAHCDJBVXUAGE-NEPJUHHUSA-N -1 1 357.418 2.467 20 5 FEBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@H](C)C3)c2)C1 ZINC000820728642 599512870 /nfs/dbraw/zinc/51/28/70/599512870.db2.gz XQAHCDJBVXUAGE-NEPJUHHUSA-N -1 1 357.418 2.467 20 5 FEBDMM Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)nc2c1 ZINC000826308784 607452428 /nfs/dbraw/zinc/45/24/28/607452428.db2.gz PNBJATXGMHRLJN-UHFFFAOYSA-N -1 1 350.342 2.343 20 5 FEBDMM Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)nc2c1 ZINC000826308784 607452429 /nfs/dbraw/zinc/45/24/29/607452429.db2.gz PNBJATXGMHRLJN-UHFFFAOYSA-N -1 1 350.342 2.343 20 5 FEBDMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000833293828 601855507 /nfs/dbraw/zinc/85/55/07/601855507.db2.gz AQKYWNXEUJQXMZ-UHFFFAOYSA-N -1 1 358.278 2.372 20 5 FEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809822157 674512907 /nfs/dbraw/zinc/51/29/07/674512907.db2.gz DTFDXBPYEZCFPV-NSHDSACASA-N -1 1 354.787 2.337 20 5 FEBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822501 674512915 /nfs/dbraw/zinc/51/29/15/674512915.db2.gz MUHRVKBPAMQPSZ-SECBINFHSA-N -1 1 368.814 2.464 20 5 FEBDMM COCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809843615 674515882 /nfs/dbraw/zinc/51/58/82/674515882.db2.gz PEVIXEQNVUNGAA-UHFFFAOYSA-N -1 1 352.771 2.235 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830433205 603837003 /nfs/dbraw/zinc/83/70/03/603837003.db2.gz RLECLMXZTFJPFS-UHFFFAOYSA-N -1 1 364.402 2.352 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1[N+](=O)[O-] ZINC000824453595 605373734 /nfs/dbraw/zinc/37/37/34/605373734.db2.gz PXAGIRIEZFJSJE-NXEZZACHSA-N -1 1 353.379 2.092 20 5 FEBDMM CN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821612272 606644965 /nfs/dbraw/zinc/64/49/65/606644965.db2.gz PCWVVTOCFMSOKK-UHFFFAOYSA-N -1 1 354.326 2.140 20 5 FEBDMM CN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1F ZINC000821600454 606701577 /nfs/dbraw/zinc/70/15/77/606701577.db2.gz NGSPGRIHFSRUFU-UHFFFAOYSA-N -1 1 372.364 2.247 20 5 FEBDMM CN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1F ZINC000821600454 606701580 /nfs/dbraw/zinc/70/15/80/606701580.db2.gz NGSPGRIHFSRUFU-UHFFFAOYSA-N -1 1 372.364 2.247 20 5 FEBDMM C[C@H](COCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820289019 606712881 /nfs/dbraw/zinc/71/28/81/606712881.db2.gz ZTJHDJQVVUOWLW-LLVKDONJSA-N -1 1 355.358 2.187 20 5 FEBDMM C[C@H](COCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820289019 606712882 /nfs/dbraw/zinc/71/28/82/606712882.db2.gz ZTJHDJQVVUOWLW-LLVKDONJSA-N -1 1 355.358 2.187 20 5 FEBDMM COc1ccc(O[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821837742 606713287 /nfs/dbraw/zinc/71/32/87/606713287.db2.gz GVUQQSONRUHOGB-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM COc1ccc(O[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821837742 606713288 /nfs/dbraw/zinc/71/32/88/606713288.db2.gz GVUQQSONRUHOGB-SNVBAGLBSA-N -1 1 371.357 2.058 20 5 FEBDMM C[C@@H](O)C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473648 606719322 /nfs/dbraw/zinc/71/93/22/606719322.db2.gz IPLYPJWPIVHBNW-DGCLKSJQSA-N -1 1 369.385 2.137 20 5 FEBDMM C[C@@H](O)C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820473648 606719324 /nfs/dbraw/zinc/71/93/24/606719324.db2.gz IPLYPJWPIVHBNW-DGCLKSJQSA-N -1 1 369.385 2.137 20 5 FEBDMM CCc1nnc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821548742 606916499 /nfs/dbraw/zinc/91/64/99/606916499.db2.gz WJRCOSOVMDXEQL-UHFFFAOYSA-N -1 1 369.341 2.295 20 5 FEBDMM CCc1nnc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821548742 606916501 /nfs/dbraw/zinc/91/65/01/606916501.db2.gz WJRCOSOVMDXEQL-UHFFFAOYSA-N -1 1 369.341 2.295 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000820280295 607168401 /nfs/dbraw/zinc/16/84/01/607168401.db2.gz DAAJFPGBNJKAES-LLVKDONJSA-N -1 1 354.374 2.107 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000820280295 607168403 /nfs/dbraw/zinc/16/84/03/607168403.db2.gz DAAJFPGBNJKAES-LLVKDONJSA-N -1 1 354.374 2.107 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cc(F)c(F)c(F)c1 ZINC000826497398 609572643 /nfs/dbraw/zinc/57/26/43/609572643.db2.gz FZMOZIXNARSGQO-UHFFFAOYSA-N -1 1 365.275 2.242 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cc(F)c(F)c(F)c1 ZINC000826497398 609572644 /nfs/dbraw/zinc/57/26/44/609572644.db2.gz FZMOZIXNARSGQO-UHFFFAOYSA-N -1 1 365.275 2.242 20 5 FEBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000811832005 674632056 /nfs/dbraw/zinc/63/20/56/674632056.db2.gz KVMPMZFPFYGEBB-UHFFFAOYSA-N -1 1 371.758 2.231 20 5 FEBDMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811831858 674632142 /nfs/dbraw/zinc/63/21/42/674632142.db2.gz RQXSBOIRXGPIGG-UHFFFAOYSA-N -1 1 371.758 2.231 20 5 FEBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024890 674900712 /nfs/dbraw/zinc/90/07/12/674900712.db2.gz BQRVUBUXIVQKGD-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCCCCO ZINC000815030597 674902848 /nfs/dbraw/zinc/90/28/48/674902848.db2.gz BSAUDJOMMFTVAA-UHFFFAOYSA-N -1 1 354.787 2.218 20 5 FEBDMM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032981 674903816 /nfs/dbraw/zinc/90/38/16/674903816.db2.gz QUWOXPKISXOPMS-KRTXAFLBSA-N -1 1 352.771 2.233 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000815043578 674905877 /nfs/dbraw/zinc/90/58/77/674905877.db2.gz VCOWUBWJXWXLDJ-SECBINFHSA-N -1 1 366.798 2.217 20 5 FEBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000576067319 671341684 /nfs/dbraw/zinc/34/16/84/671341684.db2.gz PZHCOZMNEGFFJG-UHFFFAOYSA-N -1 1 352.734 2.357 20 5 FEBDMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2NC1=O ZINC000609396734 675921420 /nfs/dbraw/zinc/92/14/20/675921420.db2.gz ATZKULQNOAEINN-VIFPVBQESA-N -1 1 363.351 2.115 20 5 FEBDMM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000118517848 671886354 /nfs/dbraw/zinc/88/63/54/671886354.db2.gz RJCYIEXYVVVVQS-LBPRGKRZSA-N -1 1 372.164 2.466 20 5 FEBDMM C[C@H](OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610212225 675959551 /nfs/dbraw/zinc/95/95/51/675959551.db2.gz PJNZEZJTOABNBS-ZDUSSCGKSA-N -1 1 365.411 2.436 20 5 FEBDMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175131854 672365554 /nfs/dbraw/zinc/36/55/54/672365554.db2.gz SFEGLZKMHFEPIC-IAQYHMDHSA-N -1 1 360.407 2.463 20 5 FEBDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000611104667 676017488 /nfs/dbraw/zinc/01/74/88/676017488.db2.gz CGNHLBIFYXSNLA-LLVKDONJSA-N -1 1 368.415 2.249 20 5 FEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594486446 673090102 /nfs/dbraw/zinc/09/01/02/673090102.db2.gz FZKOSLCHPGFVOL-JQWIXIFHSA-N -1 1 368.333 2.373 20 5 FEBDMM CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000725821274 673092426 /nfs/dbraw/zinc/09/24/26/673092426.db2.gz NTOIBAFCMDEPTP-ZDUSSCGKSA-N -1 1 364.807 2.258 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000594724880 673124014 /nfs/dbraw/zinc/12/40/14/673124014.db2.gz ZXQRDZKCARCEJW-GXTWGEPZSA-N -1 1 358.416 2.005 20 5 FEBDMM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727464750 673170511 /nfs/dbraw/zinc/17/05/11/673170511.db2.gz WAOOCHHNRIGVOI-UHFFFAOYSA-N -1 1 369.374 2.233 20 5 FEBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)on1 ZINC000595344560 673228499 /nfs/dbraw/zinc/22/84/99/673228499.db2.gz GXCZJDFGCFJMEC-UHFFFAOYSA-N -1 1 361.763 2.032 20 5 FEBDMM CC(C)c1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000599280751 673653097 /nfs/dbraw/zinc/65/30/97/673653097.db2.gz KXOJJRNGNGVNRE-CQSZACIVSA-N -1 1 364.427 2.418 20 5 FEBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543657895 673658897 /nfs/dbraw/zinc/65/88/97/673658897.db2.gz MCVZUSMIGPOQKO-UHFFFAOYSA-N -1 1 363.395 2.372 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2c(C)cccc2C)c([N+](=O)[O-])n1 ZINC000546885354 673825737 /nfs/dbraw/zinc/82/57/37/673825737.db2.gz KJIPDIRBSHVYDZ-GFCCVEGCSA-N -1 1 352.416 2.468 20 5 FEBDMM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000566369059 675208558 /nfs/dbraw/zinc/20/85/58/675208558.db2.gz ZUWJTDCJIUBOIY-LSDHHAIUSA-N -1 1 352.387 2.446 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@@H]23)s1 ZINC000762521169 680752174 /nfs/dbraw/zinc/75/21/74/680752174.db2.gz CFEROMCVOQEEPC-FYBVGQRMSA-N -1 1 366.511 2.314 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC2CC2)c1Cl ZINC000830944666 679898382 /nfs/dbraw/zinc/89/83/82/679898382.db2.gz OELPVKRABCVBDC-QMMMGPOBSA-N -1 1 369.226 2.341 20 5 FEBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831158803 679937244 /nfs/dbraw/zinc/93/72/44/679937244.db2.gz MBOAAMYTJWYONU-DTWKUNHWSA-N -1 1 369.226 2.339 20 5 FEBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000748536104 679972204 /nfs/dbraw/zinc/97/22/04/679972204.db2.gz PJPJOBFCHYTXIN-UHFFFAOYSA-N -1 1 353.375 2.278 20 5 FEBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1[O-] ZINC000748674451 679986413 /nfs/dbraw/zinc/98/64/13/679986413.db2.gz UHUFUMYYQVSADB-UHFFFAOYSA-N -1 1 369.330 2.199 20 5 FEBDMM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000832231245 680112860 /nfs/dbraw/zinc/11/28/60/680112860.db2.gz JHOHFWJACBFUCM-FZMZJTMJSA-N -1 1 362.423 2.301 20 5 FEBDMM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000751246352 680162419 /nfs/dbraw/zinc/16/24/19/680162419.db2.gz FHMVXPABZYOAHW-UHFFFAOYSA-N -1 1 373.431 2.169 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000768865812 680962552 /nfs/dbraw/zinc/96/25/52/680962552.db2.gz KIMSKWIXGKZCFR-GTUYJWLHSA-N -1 1 374.465 2.433 20 5 FEBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845966727 681166506 /nfs/dbraw/zinc/16/65/06/681166506.db2.gz CAXHWWWPMCEADR-LDYMZIIASA-N -1 1 368.814 2.463 20 5 FEBDMM CCOc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000846273540 681216738 /nfs/dbraw/zinc/21/67/38/681216738.db2.gz YSYWTYRYHURSKB-OAHLLOKOSA-N -1 1 352.387 2.449 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000778776206 681648833 /nfs/dbraw/zinc/64/88/33/681648833.db2.gz UDBSCVAXDKZCIT-SNVBAGLBSA-N -1 1 368.367 2.322 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCO[C@H]1CC1(F)F ZINC000849443608 681737244 /nfs/dbraw/zinc/73/72/44/681737244.db2.gz HCAXPDCYPYQBPK-JTQLQIEISA-N -1 1 374.724 2.090 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000784474490 682231000 /nfs/dbraw/zinc/23/10/00/682231000.db2.gz IMQPKUPRRMEBFU-JTQLQIEISA-N -1 1 374.296 2.424 20 5 FEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000790908663 682711964 /nfs/dbraw/zinc/71/19/64/682711964.db2.gz LKBWQVGPPMVNFP-LBPRGKRZSA-N -1 1 350.824 2.322 20 5 FEBDMM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000795283565 683035105 /nfs/dbraw/zinc/03/51/05/683035105.db2.gz KNGWMKIXICFPLG-NWDGAFQWSA-N -1 1 354.409 2.499 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000859256650 683066856 /nfs/dbraw/zinc/06/68/56/683066856.db2.gz LDJUTZPWODDRRF-ZDUSSCGKSA-N -1 1 366.370 2.154 20 5 FEBDMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795792943 683092808 /nfs/dbraw/zinc/09/28/08/683092808.db2.gz YWCGDIQOAWBSOE-BQBZGAKWSA-N -1 1 367.196 2.431 20 5 FEBDMM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052252 683525331 /nfs/dbraw/zinc/52/53/31/683525331.db2.gz NGBQROBKWFPOIV-UHFFFAOYSA-N -1 1 369.330 2.025 20 5 FEBDMM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000873643334 685181163 /nfs/dbraw/zinc/18/11/63/685181163.db2.gz HLQDOSPOGYHUPH-CQSZACIVSA-N -1 1 373.203 2.280 20 5 FEBDMM O=C([N-]CC1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1)C(F)(F)F ZINC000884575623 687892685 /nfs/dbraw/zinc/89/26/85/687892685.db2.gz OGEFAJMSGNAKKU-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000801960795 674157345 /nfs/dbraw/zinc/15/73/45/674157345.db2.gz DHXSJFQYOWXUJT-UHFFFAOYSA-N -1 1 371.122 2.432 20 5 FEBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000124347524 543815710 /nfs/dbraw/zinc/81/57/10/543815710.db2.gz KKSZIGWZDKRRQH-ZETCQYMHSA-N -1 1 358.280 2.002 20 5 FEBDMM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000129370881 544108192 /nfs/dbraw/zinc/10/81/92/544108192.db2.gz JTZGPPMESOCRHE-LBPRGKRZSA-N -1 1 358.402 2.425 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000186993995 327995943 /nfs/dbraw/zinc/99/59/43/327995943.db2.gz KYFVUXUQQXXBCH-HNNXBMFYSA-N -1 1 357.366 2.169 20 5 FEBDMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187099514 328002254 /nfs/dbraw/zinc/00/22/54/328002254.db2.gz RDYNQRJVNFMPMV-CYBMUJFWSA-N -1 1 360.345 2.233 20 5 FEBDMM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188399524 328084453 /nfs/dbraw/zinc/08/44/53/328084453.db2.gz LPERLSMWCNGDJV-UHFFFAOYSA-N -1 1 355.354 2.277 20 5 FEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000193625606 328386128 /nfs/dbraw/zinc/38/61/28/328386128.db2.gz VYMFNXNGKLTFRV-BMIGLBTASA-N -1 1 361.329 2.437 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000081187211 325162762 /nfs/dbraw/zinc/16/27/62/325162762.db2.gz CZCYBUGGICVQOP-QWRGUYRKSA-N -1 1 356.429 2.315 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)s1 ZINC000121418682 326337346 /nfs/dbraw/zinc/33/73/46/326337346.db2.gz ZSPVDPOLGXPODZ-LBPRGKRZSA-N -1 1 356.425 2.448 20 5 FEBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153437659 326733018 /nfs/dbraw/zinc/73/30/18/326733018.db2.gz DTFKMCANJSPPTC-CKLFPEKLSA-N -1 1 360.819 2.340 20 5 FEBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158733757 326905807 /nfs/dbraw/zinc/90/58/07/326905807.db2.gz RYKXICQCAKKEQO-MRVPVSSYSA-N -1 1 357.363 2.421 20 5 FEBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175011643 327367748 /nfs/dbraw/zinc/36/77/48/327367748.db2.gz BCVQDRMTKKFROZ-UHFFFAOYSA-N -1 1 363.395 2.420 20 5 FEBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)no1 ZINC000267623834 329344323 /nfs/dbraw/zinc/34/43/23/329344323.db2.gz LYNQNULUNYBSSW-UHFFFAOYSA-N -1 1 374.806 2.462 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000371457491 330244127 /nfs/dbraw/zinc/24/41/27/330244127.db2.gz TUPUBPIEWVEYRJ-UHFFFAOYSA-N -1 1 360.345 2.187 20 5 FEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000158007000 545811273 /nfs/dbraw/zinc/81/12/73/545811273.db2.gz ZNJMBDWEHXNOAX-ZETCQYMHSA-N -1 1 369.262 2.387 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1CO ZINC000159755541 545977425 /nfs/dbraw/zinc/97/74/25/545977425.db2.gz OXUCEVXXKDKBQH-UHFFFAOYSA-N -1 1 356.787 2.219 20 5 FEBDMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171298263 546201971 /nfs/dbraw/zinc/20/19/71/546201971.db2.gz AHTASQCQTQNEAP-NSHDSACASA-N -1 1 360.345 2.091 20 5 FEBDMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484239298 561294311 /nfs/dbraw/zinc/29/43/11/561294311.db2.gz VCWZEDIIZIYZEO-UHFFFAOYSA-N -1 1 373.369 2.155 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c2ncccc12 ZINC000184864243 547889504 /nfs/dbraw/zinc/88/95/04/547889504.db2.gz WFJDPVWZGHZYOO-UHFFFAOYSA-N -1 1 370.350 2.215 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c2ncccc12 ZINC000184864243 547889506 /nfs/dbraw/zinc/88/95/06/547889506.db2.gz WFJDPVWZGHZYOO-UHFFFAOYSA-N -1 1 370.350 2.215 20 5 FEBDMM Cc1nc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)n[nH]1 ZINC000185000604 547915509 /nfs/dbraw/zinc/91/55/09/547915509.db2.gz WHUBSXHZWYIRMK-HNNXBMFYSA-N -1 1 353.338 2.246 20 5 FEBDMM O=C([O-])c1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000238094979 548877368 /nfs/dbraw/zinc/87/73/68/548877368.db2.gz JBOBMFCXABKVAV-UHFFFAOYSA-N -1 1 354.322 2.142 20 5 FEBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000268496318 550075947 /nfs/dbraw/zinc/07/59/47/550075947.db2.gz QKGBZGVZSFCVPH-UHFFFAOYSA-N -1 1 352.372 2.013 20 5 FEBDMM CCCCNC(=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277712073 550705111 /nfs/dbraw/zinc/70/51/11/550705111.db2.gz IVWOFNMQDUUIQZ-UHFFFAOYSA-N -1 1 372.381 2.155 20 5 FEBDMM CC(C)(C)OC(=O)C1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278007045 550738275 /nfs/dbraw/zinc/73/82/75/550738275.db2.gz HZYPASRIVJEVOX-UHFFFAOYSA-N -1 1 365.386 2.326 20 5 FEBDMM COc1ccc(OC)c(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000278117739 550751194 /nfs/dbraw/zinc/75/11/94/550751194.db2.gz SHKBAXLHBNTVRO-UHFFFAOYSA-N -1 1 361.354 2.075 20 5 FEBDMM Cc1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000280388054 550988279 /nfs/dbraw/zinc/98/82/79/550988279.db2.gz WMAVTTZXSDYMAM-LLVKDONJSA-N -1 1 366.399 2.321 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)ccc1Cl ZINC000285016542 551690262 /nfs/dbraw/zinc/69/02/62/551690262.db2.gz HGPNZCNHPQOUAJ-UHFFFAOYSA-N -1 1 357.779 2.435 20 5 FEBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000285151391 551711737 /nfs/dbraw/zinc/71/17/37/551711737.db2.gz RMKZQVMVGKNZMY-UHFFFAOYSA-N -1 1 351.388 2.398 20 5 FEBDMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288911542 552234790 /nfs/dbraw/zinc/23/47/90/552234790.db2.gz KUKSVILTADPGCQ-UHFFFAOYSA-N -1 1 358.807 2.191 20 5 FEBDMM CC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289229799 552285674 /nfs/dbraw/zinc/28/56/74/552285674.db2.gz VCUQMJMRFXPRHY-SSDOTTSWSA-N -1 1 357.215 2.341 20 5 FEBDMM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000501042778 561588298 /nfs/dbraw/zinc/58/82/98/561588298.db2.gz YHNQVRIRWNEBRZ-UHFFFAOYSA-N -1 1 359.791 2.374 20 5 FEBDMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290639292 552511151 /nfs/dbraw/zinc/51/11/51/552511151.db2.gz DHOLMWDOAJYSLB-MRVPVSSYSA-N -1 1 354.787 2.074 20 5 FEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290770855 552535487 /nfs/dbraw/zinc/53/54/87/552535487.db2.gz OLIGNFSQSXNBQF-BDAKNGLRSA-N -1 1 366.798 2.481 20 5 FEBDMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290817265 552543111 /nfs/dbraw/zinc/54/31/11/552543111.db2.gz SRZNUBGEIAUXAC-YUMQZZPRSA-N -1 1 354.787 2.073 20 5 FEBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000292079568 552691680 /nfs/dbraw/zinc/69/16/80/552691680.db2.gz QWVQDBWTDDEFRN-UHFFFAOYSA-N -1 1 369.399 2.331 20 5 FEBDMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000299073398 553511625 /nfs/dbraw/zinc/51/16/25/553511625.db2.gz DSBHVJYTSVLZIQ-TXEJJXNPSA-N -1 1 372.381 2.425 20 5 FEBDMM O=C(NCC1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505714835 561678309 /nfs/dbraw/zinc/67/83/09/561678309.db2.gz UGOLFVCVBSMSQR-UHFFFAOYSA-N -1 1 356.382 2.342 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)CC1CCCC1 ZINC000511159030 561859703 /nfs/dbraw/zinc/85/97/03/561859703.db2.gz XCRYSHPXSCYGMM-NSHDSACASA-N -1 1 362.835 2.468 20 5 FEBDMM O=C(NCCSCc1ccccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512305417 561899511 /nfs/dbraw/zinc/89/95/11/561899511.db2.gz DUHKPCRFGDPJPD-UHFFFAOYSA-N -1 1 351.359 2.498 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1 ZINC000365842704 555680584 /nfs/dbraw/zinc/68/05/84/555680584.db2.gz XYYCXNMYWJERLE-UHFFFAOYSA-N -1 1 363.330 2.320 20 5 FEBDMM Cn1[n-]cc2c(=NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccnc1-2 ZINC000806481927 674378546 /nfs/dbraw/zinc/37/85/46/674378546.db2.gz JARZLGLQGDVLTB-UHFFFAOYSA-N -1 1 360.761 2.225 20 5 FEBDMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000368504054 556329408 /nfs/dbraw/zinc/32/94/08/556329408.db2.gz SPGVURYCDSWZGU-NSHDSACASA-N -1 1 366.696 2.013 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](CO)c3ccccc32)s1 ZINC000370408363 556864141 /nfs/dbraw/zinc/86/41/41/556864141.db2.gz VQMDBKFHGVTRPZ-CABZTGNLSA-N -1 1 354.409 2.156 20 5 FEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000524155194 562224765 /nfs/dbraw/zinc/22/47/65/562224765.db2.gz XIBWRIPQYBRMDG-SECBINFHSA-N -1 1 356.338 2.071 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000525701997 562252839 /nfs/dbraw/zinc/25/28/39/562252839.db2.gz IUQSZACSYVYCQX-UHFFFAOYSA-N -1 1 363.395 2.400 20 5 FEBDMM COc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000525771247 562254498 /nfs/dbraw/zinc/25/44/98/562254498.db2.gz INQKFDDFDYWDJZ-SNVBAGLBSA-N -1 1 361.354 2.074 20 5 FEBDMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000424949390 559681003 /nfs/dbraw/zinc/68/10/03/559681003.db2.gz LSAHGRLZUMEWIL-UHFFFAOYSA-N -1 1 353.375 2.183 20 5 FEBDMM COC(=O)COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000426693391 559740420 /nfs/dbraw/zinc/74/04/20/559740420.db2.gz ZGUSZRTWWYYIGL-UHFFFAOYSA-N -1 1 374.349 2.135 20 5 FEBDMM C[C@@H]1CCc2onc(C(=O)N=c3nc(-c4cccc([N+](=O)[O-])c4)[nH][n-]3)c2C1 ZINC000434515067 559901816 /nfs/dbraw/zinc/90/18/16/559901816.db2.gz VWXCDXXKLZKMPM-SECBINFHSA-N -1 1 368.353 2.745 20 5 FEBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000436200190 559937419 /nfs/dbraw/zinc/93/74/19/559937419.db2.gz WKPYCYIERCNGDL-UHFFFAOYSA-N -1 1 364.383 2.392 20 5 FEBDMM CCc1[n-][nH]c(=NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1Br ZINC000448315588 560183848 /nfs/dbraw/zinc/18/38/48/560183848.db2.gz FTYNOEWSDFABDI-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FEBDMM CCc1[n-][nH]c(=NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1Br ZINC000448315791 560183852 /nfs/dbraw/zinc/18/38/52/560183852.db2.gz IYAQNMGFMXQUFA-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000451908978 560336524 /nfs/dbraw/zinc/33/65/24/560336524.db2.gz YZNNHPFUJXHZBN-VXGBXAGGSA-N -1 1 369.424 2.250 20 5 FEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCCF ZINC000462120812 560798207 /nfs/dbraw/zinc/79/82/07/560798207.db2.gz LYRYMSVFIOJCND-UHFFFAOYSA-N -1 1 355.185 2.385 20 5 FEBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000468527852 560932092 /nfs/dbraw/zinc/93/20/92/560932092.db2.gz IWAJJGLPGHVKHP-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM COc1cccc([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)c1 ZINC000468840006 560940151 /nfs/dbraw/zinc/94/01/51/560940151.db2.gz GZZIDFXTRIANLJ-QGZVFWFLSA-N -1 1 359.382 2.342 20 5 FEBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCCCC2 ZINC000530917259 562428592 /nfs/dbraw/zinc/42/85/92/562428592.db2.gz OIDLDGZTOWFAHP-UONOGXRCSA-N -1 1 369.443 2.396 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000531205521 562438081 /nfs/dbraw/zinc/43/80/81/562438081.db2.gz VZJGETLIPFZDEI-ZDUSSCGKSA-N -1 1 365.411 2.434 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000532853672 562490516 /nfs/dbraw/zinc/49/05/16/562490516.db2.gz IDRAXLGCTISIKG-UHFFFAOYSA-N -1 1 370.406 2.206 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000532854700 562490759 /nfs/dbraw/zinc/49/07/59/562490759.db2.gz JIUGEDAHYAFNQR-UHFFFAOYSA-N -1 1 370.818 2.432 20 5 FEBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000533179276 562500540 /nfs/dbraw/zinc/50/05/40/562500540.db2.gz FGKMGVLXOIVKLD-LLVKDONJSA-N -1 1 368.415 2.249 20 5 FEBDMM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533639325 562515214 /nfs/dbraw/zinc/51/52/14/562515214.db2.gz ZIVOJDHHUMKYIC-ZDUSSCGKSA-N -1 1 352.416 2.111 20 5 FEBDMM CS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC000535420645 562558195 /nfs/dbraw/zinc/55/81/95/562558195.db2.gz BDLXAZSYAQDBRF-UHFFFAOYSA-N -1 1 354.315 2.095 20 5 FEBDMM CC[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)OCCc2ccccc21 ZINC000569417126 568401732 /nfs/dbraw/zinc/40/17/32/568401732.db2.gz ZVCMOXLVWUAZJC-GOSISDBHSA-N -1 1 357.366 2.303 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000737373787 598929781 /nfs/dbraw/zinc/92/97/81/598929781.db2.gz WPJKMLFHEBIZMO-UHFFFAOYSA-N -1 1 374.382 2.193 20 5 FEBDMM O=[N+]([O-])c1cc(NCCc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000823634231 607345523 /nfs/dbraw/zinc/34/55/23/607345523.db2.gz FCBNUIKBNQYBLK-UHFFFAOYSA-N -1 1 354.326 2.158 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000808351184 674455624 /nfs/dbraw/zinc/45/56/24/674455624.db2.gz MZWYGVPYWGMERE-LLVKDONJSA-N -1 1 370.333 2.155 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808340931 674454268 /nfs/dbraw/zinc/45/42/68/674454268.db2.gz AYKDNJKCNMUWJG-BONVTDFDSA-N -1 1 354.359 2.134 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737262916 599386395 /nfs/dbraw/zinc/38/63/95/599386395.db2.gz HMXLDZUQASRWLS-UHFFFAOYSA-N -1 1 359.733 2.384 20 5 FEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737262916 599386397 /nfs/dbraw/zinc/38/63/97/599386397.db2.gz HMXLDZUQASRWLS-UHFFFAOYSA-N -1 1 359.733 2.384 20 5 FEBDMM COc1ccc([C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(=O)[O-])cc1 ZINC000737970633 599857974 /nfs/dbraw/zinc/85/79/74/599857974.db2.gz NFRXARYFVHAXPA-MRXNPFEDSA-N -1 1 374.349 2.385 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000826498939 607451130 /nfs/dbraw/zinc/45/11/30/607451130.db2.gz PGBVTEOOCDCJHV-UHFFFAOYSA-N -1 1 354.326 2.158 20 5 FEBDMM O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826498939 607451132 /nfs/dbraw/zinc/45/11/32/607451132.db2.gz PGBVTEOOCDCJHV-UHFFFAOYSA-N -1 1 354.326 2.158 20 5 FEBDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013358863 601317712 /nfs/dbraw/zinc/31/77/12/601317712.db2.gz MZEKNEZXLFFCQQ-UHFFFAOYSA-N -1 1 370.314 2.242 20 5 FEBDMM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cnc1Cl ZINC000832899577 601577592 /nfs/dbraw/zinc/57/75/92/601577592.db2.gz NYIBJLIOMRMYGT-UHFFFAOYSA-N -1 1 371.758 2.451 20 5 FEBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000833308039 604269951 /nfs/dbraw/zinc/26/99/51/604269951.db2.gz WCMFDIUSUBHQTK-LLVKDONJSA-N -1 1 369.805 2.105 20 5 FEBDMM C[C@H](C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1)C(=O)[O-] ZINC000827448673 604744791 /nfs/dbraw/zinc/74/47/91/604744791.db2.gz AZNSDSKTCHIYNA-SECBINFHSA-N -1 1 355.778 2.372 20 5 FEBDMM C[C@H](CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1)C(=O)[O-] ZINC000827448673 604744796 /nfs/dbraw/zinc/74/47/96/604744796.db2.gz AZNSDSKTCHIYNA-SECBINFHSA-N -1 1 355.778 2.372 20 5 FEBDMM Cn1cc(CN2CCC(NC(=O)[O-])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833947186 605482519 /nfs/dbraw/zinc/48/25/19/605482519.db2.gz AQWCCBMTFDKOEH-UHFFFAOYSA-N -1 1 359.386 2.227 20 5 FEBDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000834158507 605786018 /nfs/dbraw/zinc/78/60/18/605786018.db2.gz CAQPVCJGIKYKDQ-BTOWRCTQSA-N -1 1 363.370 2.245 20 5 FEBDMM O=C([O-])N(CC1CC1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834062411 606030364 /nfs/dbraw/zinc/03/03/64/606030364.db2.gz ISUAMBOTXWCXSJ-QGZVFWFLSA-N -1 1 363.414 2.483 20 5 FEBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc12 ZINC000823656363 606172793 /nfs/dbraw/zinc/17/27/93/606172793.db2.gz CFAVMSALVJNDOD-UHFFFAOYSA-N -1 1 366.312 2.277 20 5 FEBDMM CCOc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC ZINC000821400343 606699054 /nfs/dbraw/zinc/69/90/54/606699054.db2.gz HSQNGSZMDFQRJL-UHFFFAOYSA-N -1 1 357.330 2.321 20 5 FEBDMM CCOc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC ZINC000821400343 606699055 /nfs/dbraw/zinc/69/90/55/606699055.db2.gz HSQNGSZMDFQRJL-UHFFFAOYSA-N -1 1 357.330 2.321 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])COCc1ccccc1 ZINC000820280772 606700603 /nfs/dbraw/zinc/70/06/03/606700603.db2.gz OGOSGDCHAOLMJK-LBPRGKRZSA-N -1 1 369.385 2.435 20 5 FEBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])COCc1ccccc1 ZINC000820280772 606700605 /nfs/dbraw/zinc/70/06/05/606700605.db2.gz OGOSGDCHAOLMJK-LBPRGKRZSA-N -1 1 369.385 2.435 20 5 FEBDMM Cc1csc([C@@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822409111 606705441 /nfs/dbraw/zinc/70/54/41/606705441.db2.gz MHCXZIYQELVLAM-JTQLQIEISA-N -1 1 358.387 2.276 20 5 FEBDMM Cc1csc([C@@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822409111 606705443 /nfs/dbraw/zinc/70/54/43/606705443.db2.gz MHCXZIYQELVLAM-JTQLQIEISA-N -1 1 358.387 2.276 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823619996 606711149 /nfs/dbraw/zinc/71/11/49/606711149.db2.gz FQULECBQDSMRAC-GZMMTYOYSA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823619996 606711151 /nfs/dbraw/zinc/71/11/51/606711151.db2.gz FQULECBQDSMRAC-GZMMTYOYSA-N -1 1 359.296 2.416 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2cccc(F)c2)CC1 ZINC000823620965 606712756 /nfs/dbraw/zinc/71/27/56/606712756.db2.gz UVYOBXXUKRPAII-UHFFFAOYSA-N -1 1 355.333 2.453 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2cccc(F)c2)CC1 ZINC000823620965 606712757 /nfs/dbraw/zinc/71/27/57/606712757.db2.gz UVYOBXXUKRPAII-UHFFFAOYSA-N -1 1 355.333 2.453 20 5 FEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820280636 606712909 /nfs/dbraw/zinc/71/29/09/606712909.db2.gz LCIYWCXJKVLATG-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820280636 606712911 /nfs/dbraw/zinc/71/29/11/606712911.db2.gz LCIYWCXJKVLATG-SECBINFHSA-N -1 1 359.321 2.188 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820778061 606719503 /nfs/dbraw/zinc/71/95/03/606719503.db2.gz UWFXJWUJNAHMEA-JOYOIKCWSA-N -1 1 373.398 2.198 20 5 FEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820778061 606719504 /nfs/dbraw/zinc/71/95/04/606719504.db2.gz UWFXJWUJNAHMEA-JOYOIKCWSA-N -1 1 373.398 2.198 20 5 FEBDMM CC(C)n1cc2c(n1)[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000824371684 609171498 /nfs/dbraw/zinc/17/14/98/609171498.db2.gz OAQXOZNNDBEVBQ-LBPRGKRZSA-N -1 1 369.389 2.437 20 5 FEBDMM CC(C)n1cc2c(n1)[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000824371684 609171499 /nfs/dbraw/zinc/17/14/99/609171499.db2.gz OAQXOZNNDBEVBQ-LBPRGKRZSA-N -1 1 369.389 2.437 20 5 FEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(F)c(F)c1F ZINC000826497717 609592446 /nfs/dbraw/zinc/59/24/46/609592446.db2.gz RHJMUGKWCMDXAR-UHFFFAOYSA-N -1 1 365.275 2.242 20 5 FEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(F)c(F)c1F ZINC000826497717 609592449 /nfs/dbraw/zinc/59/24/49/609592449.db2.gz RHJMUGKWCMDXAR-UHFFFAOYSA-N -1 1 365.275 2.242 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000815032782 674903372 /nfs/dbraw/zinc/90/33/72/674903372.db2.gz YEGZZLIFKPIULO-RKDXNWHRSA-N -1 1 366.798 2.481 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000815037495 674904973 /nfs/dbraw/zinc/90/49/73/674904973.db2.gz MHPDHGMVEIRIAJ-LDYMZIIASA-N -1 1 366.798 2.217 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000815028359 674901806 /nfs/dbraw/zinc/90/18/06/674901806.db2.gz YYUSZJIIWCSHGS-SNVBAGLBSA-N -1 1 374.781 2.466 20 5 FEBDMM COc1cc(CN(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000564218830 674985680 /nfs/dbraw/zinc/98/56/80/674985680.db2.gz LSLRAAMPZXMWIE-SECBINFHSA-N -1 1 362.329 2.400 20 5 FEBDMM CCn1c(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)n[n-]c1=S ZINC000067076564 670452853 /nfs/dbraw/zinc/45/28/53/670452853.db2.gz UBQNHADQAYYZCH-UHFFFAOYSA-N -1 1 360.399 2.323 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc3cc(C)ccc3o2)c([N+](=O)[O-])n1 ZINC000575763722 671319000 /nfs/dbraw/zinc/31/90/00/671319000.db2.gz YUELMMBAMDXCGB-UHFFFAOYSA-N -1 1 364.383 2.344 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608908899 675906832 /nfs/dbraw/zinc/90/68/32/675906832.db2.gz ABGPMBQGXDHIIS-UHFFFAOYSA-N -1 1 359.367 2.285 20 5 FEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000609511636 675924045 /nfs/dbraw/zinc/92/40/45/675924045.db2.gz CIGLHKQTGNIDDH-UHFFFAOYSA-N -1 1 352.368 2.075 20 5 FEBDMM Nc1c(C(=O)Nc2nc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000121479212 671950596 /nfs/dbraw/zinc/95/05/96/671950596.db2.gz IVLJKQFVVCYZNU-UHFFFAOYSA-N -1 1 353.132 2.292 20 5 FEBDMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261926 675962205 /nfs/dbraw/zinc/96/22/05/675962205.db2.gz PHZOJNADVDSECW-UHFFFAOYSA-N -1 1 365.411 2.255 20 5 FEBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124823342 672002801 /nfs/dbraw/zinc/00/28/01/672002801.db2.gz ZFTBVYCAOVGLIS-ZIAGYGMSSA-N -1 1 362.835 2.468 20 5 FEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccccc1F ZINC000159110387 672277480 /nfs/dbraw/zinc/27/74/80/672277480.db2.gz YMCJTSITPWKMFA-ZDUSSCGKSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000161051785 672295297 /nfs/dbraw/zinc/29/52/97/672295297.db2.gz CUVSSJBNROXXPU-CYBMUJFWSA-N -1 1 370.814 2.130 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000175402853 672368246 /nfs/dbraw/zinc/36/82/46/672368246.db2.gz HKUAVUWBBLKWLV-UHFFFAOYSA-N -1 1 354.359 2.229 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589922474 672547918 /nfs/dbraw/zinc/54/79/18/672547918.db2.gz HFKVWBKAZHLJJK-OIBJUYFYSA-N -1 1 374.362 2.089 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000592073124 672747920 /nfs/dbraw/zinc/74/79/20/672747920.db2.gz IRXGWUOFRSFDQS-UHFFFAOYSA-N -1 1 351.359 2.487 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000539852646 673509616 /nfs/dbraw/zinc/50/96/16/673509616.db2.gz DLTYJRBVOWLULO-UHFFFAOYSA-N -1 1 350.352 2.475 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1CCc2ccccc2CC1 ZINC000599366477 673664789 /nfs/dbraw/zinc/66/47/89/673664789.db2.gz SBLADGPAQRIHFC-UHFFFAOYSA-N -1 1 361.423 2.463 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000544654753 673723559 /nfs/dbraw/zinc/72/35/59/673723559.db2.gz DOLYXSPZKLKYJR-GFCCVEGCSA-N -1 1 354.384 2.471 20 5 FEBDMM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000566369057 675208673 /nfs/dbraw/zinc/20/86/73/675208673.db2.gz ZUWJTDCJIUBOIY-GJZGRUSLSA-N -1 1 352.387 2.446 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1[N+](=O)[O-] ZINC000567269247 675280181 /nfs/dbraw/zinc/28/01/81/675280181.db2.gz VBMHHTCECQBEQK-UHFFFAOYSA-N -1 1 361.379 2.256 20 5 FEBDMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000760428341 680687202 /nfs/dbraw/zinc/68/72/02/680687202.db2.gz KPABRQWENGLHLS-SECBINFHSA-N -1 1 364.807 2.116 20 5 FEBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(N(C)C)ccc2[N+](=O)[O-])[n-]1 ZINC000748654293 679984949 /nfs/dbraw/zinc/98/49/49/679984949.db2.gz WTGKWOREIPTONC-UHFFFAOYSA-N -1 1 354.388 2.275 20 5 FEBDMM CC(C)c1nc(S(=O)(=O)Oc2cc(N(C)C)ccc2[N+](=O)[O-])c[n-]1 ZINC000748654293 679984952 /nfs/dbraw/zinc/98/49/52/679984952.db2.gz WTGKWOREIPTONC-UHFFFAOYSA-N -1 1 354.388 2.275 20 5 FEBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])COC1 ZINC000832487960 680139195 /nfs/dbraw/zinc/13/91/95/680139195.db2.gz DICTZGGOSCJTIC-UHFFFAOYSA-N -1 1 352.771 2.092 20 5 FEBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000751445166 680176657 /nfs/dbraw/zinc/17/66/57/680176657.db2.gz IFIXKYZBPIFYGD-NSHDSACASA-N -1 1 360.775 2.162 20 5 FEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1cccc(F)c1 ZINC000751486350 680182116 /nfs/dbraw/zinc/18/21/16/680182116.db2.gz JXLJAOUARVSHFF-AMIZOPFISA-N -1 1 360.388 2.196 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)ccc1[N+](=O)[O-] ZINC000760318234 680682763 /nfs/dbraw/zinc/68/27/63/680682763.db2.gz AHFSDIUFSPCLFN-UHFFFAOYSA-N -1 1 352.372 2.313 20 5 FEBDMM COc1ccc(OC)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768804688 680958902 /nfs/dbraw/zinc/95/89/02/680958902.db2.gz VSPXQUQAJLSITK-UHFFFAOYSA-N -1 1 358.397 2.152 20 5 FEBDMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000769046695 680968953 /nfs/dbraw/zinc/96/89/53/680968953.db2.gz KPDYGAPLHJOSGE-HFAKWTLXSA-N -1 1 350.371 2.398 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(CO)cc1 ZINC000775736982 681330633 /nfs/dbraw/zinc/33/06/33/681330633.db2.gz MLAJMBLAJYYRLH-UHFFFAOYSA-N -1 1 370.814 2.262 20 5 FEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000776442975 681392624 /nfs/dbraw/zinc/39/26/24/681392624.db2.gz AWLGMTVWBHGENV-UHFFFAOYSA-N -1 1 371.758 2.283 20 5 FEBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC000849337088 681690728 /nfs/dbraw/zinc/69/07/28/681690728.db2.gz LVQYQUHUJAYWDT-BXKDBHETSA-N -1 1 364.807 2.041 20 5 FEBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000849344283 681692371 /nfs/dbraw/zinc/69/23/71/681692371.db2.gz HSKROLFBPFQLIB-MDZLAQPJSA-N -1 1 362.304 2.213 20 5 FEBDMM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000779420437 681714763 /nfs/dbraw/zinc/71/47/63/681714763.db2.gz BDAFPAYIOZSMRV-LBPRGKRZSA-N -1 1 350.327 2.340 20 5 FEBDMM C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067575 681789079 /nfs/dbraw/zinc/78/90/79/681789079.db2.gz HVPKRMSPQDSLRL-XHDPSFHLSA-N -1 1 350.371 2.494 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000781115403 681902791 /nfs/dbraw/zinc/90/27/91/681902791.db2.gz NLTSSPJKQAQVKB-UHFFFAOYSA-N -1 1 366.351 2.441 20 5 FEBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000784487400 682232739 /nfs/dbraw/zinc/23/27/39/682232739.db2.gz RLPHYMFUHGEAFF-KBPBESRZSA-N -1 1 360.819 2.484 20 5 FEBDMM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]n1 ZINC000795843765 683097290 /nfs/dbraw/zinc/09/72/90/683097290.db2.gz NGFWOFKFEITELK-UHFFFAOYSA-N -1 1 362.770 2.151 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1Cl ZINC000798248285 683327828 /nfs/dbraw/zinc/32/78/28/683327828.db2.gz VBJAMGXXXRMZPD-UHFFFAOYSA-N -1 1 371.737 2.459 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)cc1Cl ZINC000798248285 683327835 /nfs/dbraw/zinc/32/78/35/683327835.db2.gz VBJAMGXXXRMZPD-UHFFFAOYSA-N -1 1 371.737 2.459 20 5 FEBDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000029324421 539850652 /nfs/dbraw/zinc/85/06/52/539850652.db2.gz JJVNENGIVNWMDJ-UHFFFAOYSA-N -1 1 364.383 2.455 20 5 FEBDMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800928885 674090696 /nfs/dbraw/zinc/09/06/96/674090696.db2.gz XJODPSZHEDKQSJ-UHFFFAOYSA-N -1 1 368.342 2.462 20 5 FEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1C ZINC000063878029 541190651 /nfs/dbraw/zinc/19/06/51/541190651.db2.gz VTNMXOUNDIJOIY-UHFFFAOYSA-N -1 1 363.395 2.365 20 5 FEBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000071977791 541778071 /nfs/dbraw/zinc/77/80/71/541778071.db2.gz BYZSXORGGBLSPK-UHFFFAOYSA-N -1 1 374.378 2.346 20 5 FEBDMM Cc1n[n-]c(=S)n1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081444016 542657508 /nfs/dbraw/zinc/65/75/08/542657508.db2.gz LFEBVFZKCAFORA-UHFFFAOYSA-N -1 1 355.807 2.170 20 5 FEBDMM Cc1sc(S(=O)(=O)[N-][C@H](c2nccc(C)n2)C2CC2)cc1[N+](=O)[O-] ZINC000126191815 543923207 /nfs/dbraw/zinc/92/32/07/543923207.db2.gz WRVNLLZBFPOLKE-ZDUSSCGKSA-N -1 1 368.440 2.493 20 5 FEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000191787400 328281810 /nfs/dbraw/zinc/28/18/10/328281810.db2.gz BMULNJSBJQDAEZ-UHFFFAOYSA-N -1 1 363.351 2.447 20 5 FEBDMM COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)c1 ZINC000194739146 328437788 /nfs/dbraw/zinc/43/77/88/328437788.db2.gz AGQHTWBZDHSHBC-INIZCTEOSA-N -1 1 359.382 2.342 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)s1 ZINC000081187209 325162945 /nfs/dbraw/zinc/16/29/45/325162945.db2.gz CZCYBUGGICVQOP-WDEREUQCSA-N -1 1 356.429 2.315 20 5 FEBDMM Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCOCC1 ZINC000109092376 325658872 /nfs/dbraw/zinc/65/88/72/325658872.db2.gz JGMNOMAEUPSMAZ-UHFFFAOYSA-N -1 1 371.393 2.482 20 5 FEBDMM CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244810 326243366 /nfs/dbraw/zinc/24/33/66/326243366.db2.gz RFUGWALOOLEWHI-ZDUSSCGKSA-N -1 1 373.450 2.380 20 5 FEBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000121692506 326358500 /nfs/dbraw/zinc/35/85/00/326358500.db2.gz UAXGLVLANBUZHE-UHFFFAOYSA-N -1 1 350.824 2.325 20 5 FEBDMM CNC(=O)c1sc2[n-]c(-c3ccc([N+](=O)[O-])s3)nc(=O)c2c1C ZINC000165045757 327076279 /nfs/dbraw/zinc/07/62/79/327076279.db2.gz NRDWGNGLFSCRCS-UHFFFAOYSA-N -1 1 350.381 2.289 20 5 FEBDMM COC[C@@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccco1 ZINC000175208564 327379947 /nfs/dbraw/zinc/37/99/47/327379947.db2.gz KNMSLSIRAULNBO-CYBMUJFWSA-N -1 1 354.384 2.471 20 5 FEBDMM COCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263920144 328975282 /nfs/dbraw/zinc/97/52/82/328975282.db2.gz QYQRAMUMNQXAPV-UHFFFAOYSA-N -1 1 367.221 2.062 20 5 FEBDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000273768917 329890183 /nfs/dbraw/zinc/89/01/83/329890183.db2.gz ZDVDTUDVPBYQQI-UHFFFAOYSA-N -1 1 370.456 2.363 20 5 FEBDMM CCC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000176778125 546487268 /nfs/dbraw/zinc/48/72/68/546487268.db2.gz KJMPTKGOADZAQO-CABZTGNLSA-N -1 1 350.404 2.246 20 5 FEBDMM Cc1ccc(C)c(S(=O)(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481047317 561223765 /nfs/dbraw/zinc/22/37/65/561223765.db2.gz SEBSRPVRJSUXKB-AWEZNQCLSA-N -1 1 355.460 2.364 20 5 FEBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1Oc1ccccc1 ZINC000483950097 561287595 /nfs/dbraw/zinc/28/75/95/561287595.db2.gz CKTUDDUDRLZUAQ-ARFHVFGLSA-N -1 1 373.365 2.050 20 5 FEBDMM O=C(NCc1cccnc1OC1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484271796 561295230 /nfs/dbraw/zinc/29/52/30/561295230.db2.gz DABCOIDPSZAICX-UHFFFAOYSA-N -1 1 358.354 2.342 20 5 FEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000185772857 548034092 /nfs/dbraw/zinc/03/40/92/548034092.db2.gz GBEHGVDWLOFLDI-NSHDSACASA-N -1 1 353.338 2.372 20 5 FEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000194036516 548426632 /nfs/dbraw/zinc/42/66/32/548426632.db2.gz WFFOHTJLXCRBPW-CQSZACIVSA-N -1 1 365.292 2.187 20 5 FEBDMM COc1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000486577124 561351372 /nfs/dbraw/zinc/35/13/72/561351372.db2.gz RZBBZHDPQUKHOH-UHFFFAOYSA-N -1 1 366.330 2.420 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])n1 ZINC000490446049 561433348 /nfs/dbraw/zinc/43/33/48/561433348.db2.gz IYVNHBQQSWTFJW-CQSZACIVSA-N -1 1 364.427 2.476 20 5 FEBDMM CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000494104712 561462624 /nfs/dbraw/zinc/46/26/24/561462624.db2.gz FOZZHTCZAQRLMJ-UHFFFAOYSA-N -1 1 357.417 2.155 20 5 FEBDMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278178724 550757765 /nfs/dbraw/zinc/75/77/65/550757765.db2.gz ZNYLRRDSFJOFEP-DZGCQCFKSA-N -1 1 361.329 2.485 20 5 FEBDMM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000279068488 550852811 /nfs/dbraw/zinc/85/28/11/550852811.db2.gz JTEJWOOLRZSUBN-KBPBESRZSA-N -1 1 371.349 2.214 20 5 FEBDMM CCC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000279792598 550929243 /nfs/dbraw/zinc/92/92/43/550929243.db2.gz OOFSONJCKHNFOO-SNVBAGLBSA-N -1 1 356.745 2.101 20 5 FEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000281170746 551070495 /nfs/dbraw/zinc/07/04/95/551070495.db2.gz PWLDILPVVRTRRP-UHFFFAOYSA-N -1 1 354.388 2.267 20 5 FEBDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000281627958 551122633 /nfs/dbraw/zinc/12/26/33/551122633.db2.gz GIRRZFYZUIQZFF-AWEZNQCLSA-N -1 1 358.354 2.093 20 5 FEBDMM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000282861184 551279205 /nfs/dbraw/zinc/27/92/05/551279205.db2.gz YKSDSZOFVULEGS-LBPRGKRZSA-N -1 1 370.818 2.338 20 5 FEBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000284103402 551484381 /nfs/dbraw/zinc/48/43/81/551484381.db2.gz BGSFNWCQZUCMDM-UHFFFAOYSA-N -1 1 360.779 2.153 20 5 FEBDMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286665277 551912232 /nfs/dbraw/zinc/91/22/32/551912232.db2.gz HNMMKBQGDQVPQV-CYBMUJFWSA-N -1 1 373.365 2.388 20 5 FEBDMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289803090 552381092 /nfs/dbraw/zinc/38/10/92/552381092.db2.gz JNMNYVCUBAMKSI-RKDXNWHRSA-N -1 1 366.798 2.338 20 5 FEBDMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290388359 552470997 /nfs/dbraw/zinc/47/09/97/552470997.db2.gz OTMFPNFDTNSODF-SNVBAGLBSA-N -1 1 359.304 2.126 20 5 FEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290776686 552536261 /nfs/dbraw/zinc/53/62/61/552536261.db2.gz OZCBABKLMAEPLA-JGVFFNPUSA-N -1 1 352.771 2.233 20 5 FEBDMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380841 561727216 /nfs/dbraw/zinc/72/72/16/561727216.db2.gz MJOCKQKXRTVHQT-KGLIPLIRSA-N -1 1 355.460 2.444 20 5 FEBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000509640631 561808306 /nfs/dbraw/zinc/80/83/06/561808306.db2.gz WSSYOZSZAOXNOM-UHFFFAOYSA-N -1 1 369.786 2.165 20 5 FEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000366069010 555742056 /nfs/dbraw/zinc/74/20/56/555742056.db2.gz PZSMNOCMRDXUGN-IBGZPJMESA-N -1 1 371.393 2.153 20 5 FEBDMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368141782 556228531 /nfs/dbraw/zinc/22/85/31/556228531.db2.gz GIBBQROXZZPIFE-SECBINFHSA-N -1 1 352.297 2.252 20 5 FEBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000375161279 557985529 /nfs/dbraw/zinc/98/55/29/557985529.db2.gz SEFKKFJAANNMQX-ZIAGYGMSSA-N -1 1 358.402 2.083 20 5 FEBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000393113512 558620276 /nfs/dbraw/zinc/62/02/76/558620276.db2.gz KJKJWZNVHUYPEO-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000410416397 558756397 /nfs/dbraw/zinc/75/63/97/558756397.db2.gz GYIXKXGEIZLOKP-UHFFFAOYSA-N -1 1 361.379 2.441 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000525127480 562240996 /nfs/dbraw/zinc/24/09/96/562240996.db2.gz RTPDDWNFYVPUGW-UHFFFAOYSA-N -1 1 359.310 2.070 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000525189257 562242486 /nfs/dbraw/zinc/24/24/86/562242486.db2.gz QWYDXTWNSLCSMH-UHFFFAOYSA-N -1 1 360.351 2.123 20 5 FEBDMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525188657 562242540 /nfs/dbraw/zinc/24/25/40/562242540.db2.gz PMFVPOBTNFBERN-LBPRGKRZSA-N -1 1 365.411 2.471 20 5 FEBDMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525697313 562252429 /nfs/dbraw/zinc/25/24/29/562252429.db2.gz GMOTXTSCZJFKCU-LBPRGKRZSA-N -1 1 351.384 2.044 20 5 FEBDMM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000416556793 559321643 /nfs/dbraw/zinc/32/16/43/559321643.db2.gz YSYGECNFHAWLNE-UHFFFAOYSA-N -1 1 365.289 2.389 20 5 FEBDMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432199248 559854047 /nfs/dbraw/zinc/85/40/47/559854047.db2.gz VZZKJXRMWJCNJY-UHFFFAOYSA-N -1 1 357.775 2.056 20 5 FEBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000438717938 559982672 /nfs/dbraw/zinc/98/26/72/559982672.db2.gz BXTIEGOENCTRLF-UHFFFAOYSA-N -1 1 354.315 2.321 20 5 FEBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])no1 ZINC000443163389 560073236 /nfs/dbraw/zinc/07/32/36/560073236.db2.gz ZJRDVGUHJNJLFR-UHFFFAOYSA-N -1 1 354.388 2.062 20 5 FEBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443308435 560078780 /nfs/dbraw/zinc/07/87/80/560078780.db2.gz QICGATGEZGBRCI-RNCFNFMXSA-N -1 1 350.824 2.324 20 5 FEBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443308432 560078806 /nfs/dbraw/zinc/07/88/06/560078806.db2.gz QICGATGEZGBRCI-NOZJJQNGSA-N -1 1 350.824 2.324 20 5 FEBDMM COc1cc(C(=O)[N-]c2nc3ccc(F)cn3n2)c([N+](=O)[O-])cc1OC ZINC000443935120 560096621 /nfs/dbraw/zinc/09/66/21/560096621.db2.gz NCYURLXGNZEFOA-UHFFFAOYSA-N -1 1 361.289 2.046 20 5 FEBDMM O=C(NCc1csc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861681 560122916 /nfs/dbraw/zinc/12/29/16/560122916.db2.gz UCCAGKSGSLLXBQ-UHFFFAOYSA-N -1 1 358.173 2.449 20 5 FEBDMM O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000472035257 561016468 /nfs/dbraw/zinc/01/64/68/561016468.db2.gz OMQSZVCBDTYHPP-UHFFFAOYSA-N -1 1 356.260 2.467 20 5 FEBDMM CCOCCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000532120962 562467650 /nfs/dbraw/zinc/46/76/50/562467650.db2.gz JQBSNMHFNGWAHW-UHFFFAOYSA-N -1 1 357.432 2.255 20 5 FEBDMM O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc([O-])cc1 ZINC000532417143 562477250 /nfs/dbraw/zinc/47/72/50/562477250.db2.gz KOVAYQPGENYKOG-UHFFFAOYSA-N -1 1 353.128 2.108 20 5 FEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000533174323 562500273 /nfs/dbraw/zinc/50/02/73/562500273.db2.gz ZTPSZVFHMOLBLC-LBPRGKRZSA-N -1 1 352.416 2.283 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC000533174358 562500280 /nfs/dbraw/zinc/50/02/80/562500280.db2.gz CDGUOJWOQUHDFH-UHFFFAOYSA-N -1 1 374.422 2.485 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270100 562503294 /nfs/dbraw/zinc/50/32/94/562503294.db2.gz CFZNHBHGCXEHMM-CQSZACIVSA-N -1 1 350.400 2.241 20 5 FEBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000534980500 562546803 /nfs/dbraw/zinc/54/68/03/562546803.db2.gz UABVWTMTDXBGSM-MRVPVSSYSA-N -1 1 357.367 2.015 20 5 FEBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584694449 568247408 /nfs/dbraw/zinc/24/74/08/568247408.db2.gz GFSLDCHIEQTKFY-UHFFFAOYSA-N -1 1 361.701 2.272 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000569308775 568361476 /nfs/dbraw/zinc/36/14/76/568361476.db2.gz FBZBSBDDFIRMBV-ZIBATOQPSA-N -1 1 363.395 2.221 20 5 FEBDMM O=[N+]([O-])c1ccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000738367625 598594559 /nfs/dbraw/zinc/59/45/59/598594559.db2.gz WOUPQOWWHLXTKI-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM O=[N+]([O-])c1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000738367625 598594561 /nfs/dbraw/zinc/59/45/61/598594561.db2.gz WOUPQOWWHLXTKI-UHFFFAOYSA-N -1 1 361.749 2.314 20 5 FEBDMM O=C(NCCc1cc(C(F)(F)F)ccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557181410 674441019 /nfs/dbraw/zinc/44/10/19/674441019.db2.gz QGTAPNHOEYXMDZ-UHFFFAOYSA-N -1 1 356.260 2.082 20 5 FEBDMM COc1ccc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1OC ZINC000826192304 607448449 /nfs/dbraw/zinc/44/84/49/607448449.db2.gz IARPZPOUJDWMME-UHFFFAOYSA-N -1 1 370.369 2.447 20 5 FEBDMM COc1ccc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1OC ZINC000826192304 607448451 /nfs/dbraw/zinc/44/84/51/607448451.db2.gz IARPZPOUJDWMME-UHFFFAOYSA-N -1 1 370.369 2.447 20 5 FEBDMM O=C([O-])CCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000739711617 600536292 /nfs/dbraw/zinc/53/62/92/600536292.db2.gz LTMYPOQFEXEYES-UHFFFAOYSA-N -1 1 354.319 2.245 20 5 FEBDMM COc1cc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000831995055 601528573 /nfs/dbraw/zinc/52/85/73/601528573.db2.gz DHNGZYISZXOSJH-SCZZXKLOSA-N -1 1 360.313 2.357 20 5 FEBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817565 674512077 /nfs/dbraw/zinc/51/20/77/674512077.db2.gz FUBUWPMEMPAXQY-UHFFFAOYSA-N -1 1 368.770 2.007 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOCC2CCC2)cc1Cl ZINC000809832864 674514427 /nfs/dbraw/zinc/51/44/27/674514427.db2.gz UVHSFFSQHTUZIX-UHFFFAOYSA-N -1 1 366.798 2.482 20 5 FEBDMM CCCc1[nH]nc(C(=O)N2CCC(CN(CC)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000826949780 603748508 /nfs/dbraw/zinc/74/85/08/603748508.db2.gz RYFVMMOQMDBIQI-UHFFFAOYSA-N -1 1 367.406 2.123 20 5 FEBDMM C[C@@H](CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000827450154 604739280 /nfs/dbraw/zinc/73/92/80/604739280.db2.gz SJTXJTLQQKNQDJ-VIFPVBQESA-N -1 1 355.778 2.372 20 5 FEBDMM CC(C)c1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097172 604930793 /nfs/dbraw/zinc/93/07/93/604930793.db2.gz GQZBFFNFZOXPIZ-CQSZACIVSA-N -1 1 358.354 2.266 20 5 FEBDMM Cn1cc(CN2CCCN(C(=O)[O-])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833948004 605475452 /nfs/dbraw/zinc/47/54/52/605475452.db2.gz FAWHVLHCKPHJKT-UHFFFAOYSA-N -1 1 359.386 2.181 20 5 FEBDMM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC000821877370 606645372 /nfs/dbraw/zinc/64/53/72/606645372.db2.gz HKTVXIBELAYLRD-LBPRGKRZSA-N -1 1 368.353 2.199 20 5 FEBDMM CCOC(=O)c1ccnc(Oc2cccc(F)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825565123 607866874 /nfs/dbraw/zinc/86/68/74/607866874.db2.gz MDYFUVFBKSTXEQ-UHFFFAOYSA-N -1 1 374.288 2.278 20 5 FEBDMM CCOC(=O)c1ccnc(Oc2cccc(F)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825565123 607866875 /nfs/dbraw/zinc/86/68/75/607866875.db2.gz MDYFUVFBKSTXEQ-UHFFFAOYSA-N -1 1 374.288 2.278 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000815017019 674897068 /nfs/dbraw/zinc/89/70/68/674897068.db2.gz VAIIBBHIAFABPP-CYBMUJFWSA-N -1 1 374.777 2.399 20 5 FEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc(CO)c1 ZINC000815017243 674897219 /nfs/dbraw/zinc/89/72/19/674897219.db2.gz HWIJBZWNVZJVER-UHFFFAOYSA-N -1 1 374.777 2.358 20 5 FEBDMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024888 674900871 /nfs/dbraw/zinc/90/08/71/674900871.db2.gz BQRVUBUXIVQKGD-IUCAKERBSA-N -1 1 366.798 2.481 20 5 FEBDMM O=C([N-]c1nn2cnnc2s1)c1ccc([N+](=O)[O-])cc1Br ZINC000610090353 675953116 /nfs/dbraw/zinc/95/31/16/675953116.db2.gz CZNMJNFCZUPEDT-UHFFFAOYSA-N -1 1 369.160 2.109 20 5 FEBDMM CCC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CCOC ZINC000581827369 671938659 /nfs/dbraw/zinc/93/86/59/671938659.db2.gz ONRXCSHCEPAOHE-AWEZNQCLSA-N -1 1 351.403 2.230 20 5 FEBDMM C[C@@H](OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610212224 675959518 /nfs/dbraw/zinc/95/95/18/675959518.db2.gz PJNZEZJTOABNBS-CYBMUJFWSA-N -1 1 365.411 2.436 20 5 FEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(Cl)nc1 ZINC000125212519 672008544 /nfs/dbraw/zinc/00/85/44/672008544.db2.gz RWUJDWUPYOOYID-UHFFFAOYSA-N -1 1 359.766 2.303 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000583785296 672125998 /nfs/dbraw/zinc/12/59/98/672125998.db2.gz WRTKFXNGKZZPLO-UHFFFAOYSA-N -1 1 366.277 2.146 20 5 FEBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000584842315 672221694 /nfs/dbraw/zinc/22/16/94/672221694.db2.gz YSFYCOVXWSKXQE-ZETCQYMHSA-N -1 1 368.733 2.062 20 5 FEBDMM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000588906263 672492244 /nfs/dbraw/zinc/49/22/44/672492244.db2.gz UISLZYNVOMQNPT-UHFFFAOYSA-N -1 1 350.343 2.460 20 5 FEBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000727114227 673156430 /nfs/dbraw/zinc/15/64/30/673156430.db2.gz WGKMCNYJWNZIIY-UHFFFAOYSA-N -1 1 363.330 2.115 20 5 FEBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000595408983 673244921 /nfs/dbraw/zinc/24/49/21/673244921.db2.gz HCWFVIXARCUXDT-MRXNPFEDSA-N -1 1 364.427 2.415 20 5 FEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595413772 673246767 /nfs/dbraw/zinc/24/67/67/673246767.db2.gz HIXZRHXFRUSOHZ-NSHDSACASA-N -1 1 363.395 2.354 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000536758924 673380377 /nfs/dbraw/zinc/38/03/77/673380377.db2.gz ZFQXNBDOVZUWGY-HIFRSBDPSA-N -1 1 363.395 2.046 20 5 FEBDMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480574 673681024 /nfs/dbraw/zinc/68/10/24/673681024.db2.gz DASDIKAFNXQJEA-CYBMUJFWSA-N -1 1 352.416 2.375 20 5 FEBDMM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000546890218 673826282 /nfs/dbraw/zinc/82/62/82/673826282.db2.gz JGHIVZJZWJEMDE-SNVBAGLBSA-N -1 1 364.807 2.258 20 5 FEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000566779085 675241909 /nfs/dbraw/zinc/24/19/09/675241909.db2.gz XWFNGTXTUUOPFL-CYBMUJFWSA-N -1 1 351.359 2.485 20 5 FEBDMM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819966469 675327896 /nfs/dbraw/zinc/32/78/96/675327896.db2.gz VPJOKXFHDYNBMB-VIFPVBQESA-N -1 1 352.734 2.357 20 5 FEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000619467606 676378182 /nfs/dbraw/zinc/37/81/82/676378182.db2.gz RVKIZENTRCCDPZ-UHFFFAOYSA-N -1 1 366.351 2.411 20 5 FEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c1Cl ZINC000832654291 680160301 /nfs/dbraw/zinc/16/03/01/680160301.db2.gz MAKGCFQXCPXIIO-SNVBAGLBSA-N -1 1 369.226 2.341 20 5 FEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841536455 680893890 /nfs/dbraw/zinc/89/38/90/680893890.db2.gz BDDBGMIIIIHTSL-OCAPTIKFSA-N -1 1 352.771 2.233 20 5 FEBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000769900140 680999589 /nfs/dbraw/zinc/99/95/89/680999589.db2.gz ADEXYQYMVKZCSR-SSDOTTSWSA-N -1 1 360.779 2.288 20 5 FEBDMM O=C(NCCSCc1ccnc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770682822 681023720 /nfs/dbraw/zinc/02/37/20/681023720.db2.gz PVGUHCGDWIQFLR-UHFFFAOYSA-N -1 1 368.802 2.407 20 5 FEBDMM O=C([N-]Cc1nc(C2CC2)no1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581892 681582960 /nfs/dbraw/zinc/58/29/60/681582960.db2.gz ZIBXZBGNGWSKDP-UHFFFAOYSA-N -1 1 354.269 2.143 20 5 FEBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000778335650 681599091 /nfs/dbraw/zinc/59/90/91/681599091.db2.gz XNPBUBKQUACYHG-UHFFFAOYSA-N -1 1 374.758 2.106 20 5 FEBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853893927 682485932 /nfs/dbraw/zinc/48/59/32/682485932.db2.gz MLPNIPGMEMCTLA-UHFFFAOYSA-N -1 1 369.355 2.010 20 5 FEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000920935803 683381010 /nfs/dbraw/zinc/38/10/10/683381010.db2.gz DFTDLEFWESOCES-RNFRBKRXSA-N -1 1 360.335 2.045 20 5 FEBDMM O=C([N-]CC1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1)C(F)(F)F ZINC000866294507 684089777 /nfs/dbraw/zinc/08/97/77/684089777.db2.gz QVHGXLULZHMOIH-UHFFFAOYSA-N -1 1 354.288 2.258 20 5 FEBDMM