smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000225789447 525001617 /nfs/dbraw/zinc/00/16/17/525001617.db2.gz HWNMCIMRMFGYMK-UHFFFAOYSA-N 0 0 413.839 2.516 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000022375238 558988378 /nfs/dbraw/zinc/98/83/78/558988378.db2.gz XANAYMBPTAQLJK-GOSISDBHSA-N 0 0 417.487 2.863 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220132146 558998981 /nfs/dbraw/zinc/99/89/81/558998981.db2.gz NCAMFNCIWFHLNU-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220411624 559076755 /nfs/dbraw/zinc/07/67/55/559076755.db2.gz LIXCEVSOTPINGL-GFCCVEGCSA-N 0 0 422.419 2.605 40 5 HFBBRN C[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220414928 559076826 /nfs/dbraw/zinc/07/68/26/559076826.db2.gz PVMHPZLEULRNHC-AWEZNQCLSA-N 0 0 403.460 2.729 40 5 HFBBRN C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000220421088 559078678 /nfs/dbraw/zinc/07/86/78/559078678.db2.gz CPXMHIXHFPNSEM-OLZOCXBDSA-N 0 0 409.439 2.766 40 5 HFBBRN O=S(=O)([O-])[N+]1(N2C[C@@H]3CCCC[C@H]3C2)CCN(c2nsc3ccccc32)CC1 ZINC000098181700 559127156 /nfs/dbraw/zinc/12/71/56/559127156.db2.gz FKKBEEHBJWWXMP-HOTGVXAUSA-O 0 0 423.584 2.773 40 5 HFBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=N)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000033385704 559147300 /nfs/dbraw/zinc/14/73/00/559147300.db2.gz XSWDWDLPTSDSBC-OVCLIPMQSA-N 0 0 419.440 2.810 40 5 HFBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408530870 559216703 /nfs/dbraw/zinc/21/67/03/559216703.db2.gz JSHQJCPWJOMPIS-UHFFFAOYSA-N 0 0 412.362 2.937 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000408611888 559221554 /nfs/dbraw/zinc/22/15/54/559221554.db2.gz XKDAAXITFRSVLB-CYBMUJFWSA-N 0 0 407.448 2.607 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000408638415 559222655 /nfs/dbraw/zinc/22/26/55/559222655.db2.gz CDLYYXQNQSVOPK-GFCCVEGCSA-N 0 0 414.374 2.812 40 5 HFBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1C ZINC000408662683 559223654 /nfs/dbraw/zinc/22/36/54/559223654.db2.gz PERTVWQTLBTZRU-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000408653219 559223747 /nfs/dbraw/zinc/22/37/47/559223747.db2.gz DOCPVPJNYXEJSH-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409228092 559245721 /nfs/dbraw/zinc/24/57/21/559245721.db2.gz UAXYCJKWZRXIIR-GZTJUZNOSA-N 0 0 424.413 2.697 40 5 HFBBRN CC(=O)[C@@H](C(=O)OC(C)C)C(c1cccc([N+](=O)[O-])c1)[C@@H](C(C)=O)C(=O)OC(C)C ZINC000005381316 560577220 /nfs/dbraw/zinc/57/72/20/560577220.db2.gz DPHUMJWVOASNEI-QZTJIDSGSA-N 0 0 421.446 2.992 40 5 HFBBRN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12 ZINC000104496993 560851811 /nfs/dbraw/zinc/85/18/11/560851811.db2.gz GGXKNQVEPWEXPE-DOTOQJQBSA-N 0 0 412.789 2.571 40 5 HFBBRN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12 ZINC000104496990 560851842 /nfs/dbraw/zinc/85/18/42/560851842.db2.gz GGXKNQVEPWEXPE-WBVHZDCISA-N 0 0 412.789 2.571 40 5 HFBBRN COC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000106751005 560893706 /nfs/dbraw/zinc/89/37/06/560893706.db2.gz ZPTJVSZZRJYUEJ-YHYXMXQVSA-N 0 0 401.194 2.567 40 5 HFBBRN CCOc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220033956 568501505 /nfs/dbraw/zinc/50/15/05/568501505.db2.gz QFHIJMLLQSYYGD-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000856667 568711702 /nfs/dbraw/zinc/71/17/02/568711702.db2.gz AQIDWBRXCNUVNG-IIMDRIAPSA-N 0 0 421.446 2.538 40 5 HFBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022348304 568766631 /nfs/dbraw/zinc/76/66/31/568766631.db2.gz CSNGUMDSCXWUTL-GOSISDBHSA-N 0 0 421.475 2.637 40 5 HFBBRN COc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222685732 568768018 /nfs/dbraw/zinc/76/80/18/568768018.db2.gz CNTZKPQZXGMUMI-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223589155 569030551 /nfs/dbraw/zinc/03/05/51/569030551.db2.gz QCYSYABARBKDJB-MOPGFXCFSA-N 0 0 409.471 2.745 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O ZINC000006281791 569037258 /nfs/dbraw/zinc/03/72/58/569037258.db2.gz XMNYVZAXYFVHAB-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000224343336 569059433 /nfs/dbraw/zinc/05/94/33/569059433.db2.gz ODWRIDYVVYZWLP-UHFFFAOYSA-N 0 0 409.489 2.884 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000016692267 569070515 /nfs/dbraw/zinc/07/05/15/569070515.db2.gz MBAPLLVVZRPLNG-UHFFFAOYSA-N 0 0 421.475 2.870 40 5 HFBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccccc3[N+](=O)[O-])N2N1 ZINC000588228356 569246266 /nfs/dbraw/zinc/24/62/66/569246266.db2.gz OKIBISNLALSTSK-LJQANCHMSA-N 0 0 423.498 2.661 40 5 HFBBRN CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc21 ZINC000017059237 569272750 /nfs/dbraw/zinc/27/27/50/569272750.db2.gz VGYWXCIIKAKPHR-UHFFFAOYSA-N 0 0 404.364 2.887 40 5 HFBBRN CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224759551 569287436 /nfs/dbraw/zinc/28/74/36/569287436.db2.gz RSYIGYIEBBYJSP-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CCc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224978967 569313263 /nfs/dbraw/zinc/31/32/63/569313263.db2.gz XWUSHICKGAEBKO-CQSZACIVSA-N 0 0 405.476 2.801 40 5 HFBBRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023929 569323739 /nfs/dbraw/zinc/32/37/39/569323739.db2.gz CNXWNIREFVFYAF-UHFFFAOYSA-N 0 0 418.349 2.982 40 5 HFBBRN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000008036463 569338896 /nfs/dbraw/zinc/33/88/96/569338896.db2.gz UAYUEJSPGLXBQC-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)c1 ZINC000008416013 569340624 /nfs/dbraw/zinc/34/06/24/569340624.db2.gz GZGLIRQMOXQGLF-UHFFFAOYSA-N 0 0 415.402 2.812 40 5 HFBBRN CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000108097927 569353350 /nfs/dbraw/zinc/35/33/50/569353350.db2.gz JHMFUSDUTJTLSP-UHFFFAOYSA-N 0 0 415.435 2.624 40 5 HFBBRN CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000253372052 569364738 /nfs/dbraw/zinc/36/47/38/569364738.db2.gz DFQLPYSPKQLGGU-WOYCLPQFSA-N 0 0 421.446 2.538 40 5 HFBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225184250 569372737 /nfs/dbraw/zinc/37/27/37/569372737.db2.gz CVVNCZZQUXBXBV-OAHLLOKOSA-N 0 0 401.488 2.991 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010330106 569395673 /nfs/dbraw/zinc/39/56/73/569395673.db2.gz LDEQDYLIYHDAHV-UHFFFAOYSA-N 0 0 411.867 2.639 40 5 HFBBRN CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cnnc3)CC2)cc1 ZINC000070461856 569410519 /nfs/dbraw/zinc/41/05/19/569410519.db2.gz DTXNCKHOQGCDEM-UHFFFAOYSA-N 0 0 406.446 2.700 40 5 HFBBRN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 ZINC000070461893 569410521 /nfs/dbraw/zinc/41/05/21/569410521.db2.gz NDNRNNWETLWSGH-UHFFFAOYSA-N 0 0 412.837 2.791 40 5 HFBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C ZINC000008475950 571052910 /nfs/dbraw/zinc/05/29/10/571052910.db2.gz QIILDPZOARNAGL-UHFFFAOYSA-N 0 0 407.448 2.851 40 5 HFBBRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729492 571107050 /nfs/dbraw/zinc/10/70/50/571107050.db2.gz YKQDPRGQBLLSPS-UHFFFAOYSA-N 0 0 418.349 2.982 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000328990308 571305951 /nfs/dbraw/zinc/30/59/51/571305951.db2.gz IMSVJJKARVKGPV-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n1 ZINC000040398890 526205582 /nfs/dbraw/zinc/20/55/82/526205582.db2.gz FOCRQENCDVEJCV-UHFFFAOYSA-N 0 0 416.466 2.838 40 5 HFBBRN Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000408618688 557535501 /nfs/dbraw/zinc/53/55/01/557535501.db2.gz DYNIUBVNYZEVAT-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000038829340 558816267 /nfs/dbraw/zinc/81/62/67/558816267.db2.gz ULTGRPKORPSIGK-UHFFFAOYSA-N 0 0 422.529 2.939 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033158652 558893733 /nfs/dbraw/zinc/89/37/33/558893733.db2.gz NROSCZVSDZLACA-HNNXBMFYSA-N 0 0 403.460 2.943 40 5 HFBBRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220035690 558945274 /nfs/dbraw/zinc/94/52/74/558945274.db2.gz ANIYNKFSZCEKNA-CQSZACIVSA-N 0 0 421.475 2.555 40 5 HFBBRN CC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220030128 558945799 /nfs/dbraw/zinc/94/57/99/558945799.db2.gz VYGXIVZNHTYLTI-UHFFFAOYSA-N 0 0 405.432 2.511 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220035924 558945899 /nfs/dbraw/zinc/94/58/99/558945899.db2.gz JZCYQKXZBYYQJX-HNNXBMFYSA-N 0 0 405.476 2.855 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000022375244 558988474 /nfs/dbraw/zinc/98/84/74/558988474.db2.gz XANAYMBPTAQLJK-SFHVURJKSA-N 0 0 417.487 2.863 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220132093 558999013 /nfs/dbraw/zinc/99/90/13/558999013.db2.gz NCAMFNCIWFHLNU-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN COc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220171283 559009636 /nfs/dbraw/zinc/00/96/36/559009636.db2.gz FAOLLDYCUZTMNT-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN COc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220382049 559068385 /nfs/dbraw/zinc/06/83/85/559068385.db2.gz QLLWSTQGEDGASP-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408573867 559219301 /nfs/dbraw/zinc/21/93/01/559219301.db2.gz PHCFEDHIHOCBRW-UHFFFAOYSA-N 0 0 413.430 2.743 40 5 HFBBRN Cc1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000408582978 559220230 /nfs/dbraw/zinc/22/02/30/559220230.db2.gz QGXIJEMMIRONML-UHFFFAOYSA-N 0 0 418.203 2.834 40 5 HFBBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c(OC)c1 ZINC000408647814 559223158 /nfs/dbraw/zinc/22/31/58/559223158.db2.gz XNNXLEYRZYJMJF-LBPRGKRZSA-N 0 0 415.402 2.612 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000408649036 559223333 /nfs/dbraw/zinc/22/33/33/559223333.db2.gz ZERHEZNTJXOWTM-LLVKDONJSA-N 0 0 400.347 2.503 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(Cl)c1 ZINC000408672779 559223940 /nfs/dbraw/zinc/22/39/40/559223940.db2.gz ZZCNTDYYRPSREV-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000408701748 559225170 /nfs/dbraw/zinc/22/51/70/559225170.db2.gz DYYPSLGUDXTQJC-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000408701521 559225313 /nfs/dbraw/zinc/22/53/13/559225313.db2.gz ZEEFXNUCKADOHC-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1cccc([N+](=O)[O-])c1)N=2 ZINC000408731591 559225505 /nfs/dbraw/zinc/22/55/05/559225505.db2.gz LZQVOQAJZLHMDM-XBNGYDHASA-N 0 0 415.471 2.567 40 5 HFBBRN O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])o2)C1=O)N1CCc2ccccc2C1 ZINC000409370026 559248796 /nfs/dbraw/zinc/24/87/96/559248796.db2.gz JPTQBQFMBHJZLS-DHDCSXOGSA-N 0 0 413.411 2.809 40 5 HFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181833 560688561 /nfs/dbraw/zinc/68/85/61/560688561.db2.gz FZQGDJKGLVBBBE-UHFFFAOYSA-N 0 0 414.370 2.665 40 5 HFBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000000835129 568501537 /nfs/dbraw/zinc/50/15/37/568501537.db2.gz CKDHLOCDXXWOPN-UHFFFAOYSA-N 0 0 403.460 2.803 40 5 HFBBRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000020488088 568613449 /nfs/dbraw/zinc/61/34/49/568613449.db2.gz BOROYVSQYZGFHQ-UHFFFAOYSA-N 0 0 411.867 2.673 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000222377832 568752380 /nfs/dbraw/zinc/75/23/80/568752380.db2.gz TWENHRKSRFNLFL-UHFFFAOYSA-N 0 0 423.466 2.905 40 5 HFBBRN CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530914 568762790 /nfs/dbraw/zinc/76/27/90/568762790.db2.gz GLWMQKPPFYDIAW-SFHVURJKSA-N 0 0 419.503 2.807 40 5 HFBBRN COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222602010 568764821 /nfs/dbraw/zinc/76/48/21/568764821.db2.gz ZFDAZHITVJMINJ-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000022348292 568766581 /nfs/dbraw/zinc/76/65/81/568766581.db2.gz LSIFPJGYLVUKPM-HNNXBMFYSA-N 0 0 405.476 2.855 40 5 HFBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000022523496 568769615 /nfs/dbraw/zinc/76/96/15/568769615.db2.gz LSKZPVUPDGNBRM-GOSISDBHSA-N 0 0 405.476 2.937 40 5 HFBBRN COc1cc(OCC(=O)NCC2(c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000225669289 568778338 /nfs/dbraw/zinc/77/83/38/568778338.db2.gz DHDDYXKFZNRWJK-UHFFFAOYSA-N 0 0 400.431 2.847 40 5 HFBBRN O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000215868046 568806502 /nfs/dbraw/zinc/80/65/02/568806502.db2.gz CNZWEDPVDCKMJW-UHFFFAOYSA-N 0 0 400.263 2.714 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000218262314 568837136 /nfs/dbraw/zinc/83/71/36/568837136.db2.gz VQQKUNOQLYLSED-UHFFFAOYSA-N 0 0 401.803 2.792 40 5 HFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015533901 568945969 /nfs/dbraw/zinc/94/59/69/568945969.db2.gz UQSGQVXQTHMETA-UHFFFAOYSA-N 0 0 420.809 2.884 40 5 HFBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004144328 568946154 /nfs/dbraw/zinc/94/61/54/568946154.db2.gz DXBNEPDFCBIQJD-JKIFEVAISA-N 0 0 409.320 2.699 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000008301055 568988163 /nfs/dbraw/zinc/98/81/63/568988163.db2.gz BUBNGTMUPNCTGW-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223589104 569030542 /nfs/dbraw/zinc/03/05/42/569030542.db2.gz QCYSYABARBKDJB-RTBURBONSA-N 0 0 409.471 2.745 40 5 HFBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCCO ZINC000006624585 569061116 /nfs/dbraw/zinc/06/11/16/569061116.db2.gz SJSQNRRZYCKUBC-AWEZNQCLSA-N 0 0 415.449 2.858 40 5 biogenic HFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000170506167 569239008 /nfs/dbraw/zinc/23/90/08/569239008.db2.gz BSPCBUCEMAJTSF-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN O=C(NC(=S)Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017082825 569272974 /nfs/dbraw/zinc/27/29/74/569272974.db2.gz OIGSKZPWHROIFD-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN O=C(NC(=S)Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017092956 569273421 /nfs/dbraw/zinc/27/34/21/569273421.db2.gz UKSDOAZUIMOQKD-UHFFFAOYSA-N 0 0 422.413 2.836 40 5 HFBBRN COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000017090589 569273443 /nfs/dbraw/zinc/27/34/43/569273443.db2.gz UPKXRMWXHOGHMP-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777822 569289028 /nfs/dbraw/zinc/28/90/28/569289028.db2.gz DNILSISAULDJIN-UHFFFAOYSA-N 0 0 422.459 2.979 40 5 HFBBRN COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224782219 569289570 /nfs/dbraw/zinc/28/95/70/569289570.db2.gz KYUGOZMKIYFYCK-UHFFFAOYSA-N 0 0 400.359 2.550 40 5 HFBBRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027948 569323695 /nfs/dbraw/zinc/32/36/95/569323695.db2.gz GAGFOOIEWFDHQL-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000006355212 569331347 /nfs/dbraw/zinc/33/13/47/569331347.db2.gz WFWHFAIBROBTRS-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000008416345 569340631 /nfs/dbraw/zinc/34/06/31/569340631.db2.gz QJTLGULMOXYPPZ-UHFFFAOYSA-N 0 0 413.386 2.698 40 5 HFBBRN CCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000107678672 569352815 /nfs/dbraw/zinc/35/28/15/569352815.db2.gz WIQCFNUZRMIEKY-UHFFFAOYSA-N 0 0 419.551 2.908 40 5 HFBBRN Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000009236509 569391969 /nfs/dbraw/zinc/39/19/69/569391969.db2.gz QAEQNZRENFKWAM-UHFFFAOYSA-N 0 0 424.457 2.510 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329008123 571305929 /nfs/dbraw/zinc/30/59/29/571305929.db2.gz LPQMSQSVCBLSGW-GOSISDBHSA-N 0 0 408.462 3.488 40 5 HFBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000009014118 132335066 /nfs/dbraw/zinc/33/50/66/132335066.db2.gz YEPHOXHJHDAUQS-LBJGKRIESA-N 0 0 414.462 2.619 40 5 HFBBRN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000040397913 521399857 /nfs/dbraw/zinc/39/98/57/521399857.db2.gz RRINRQYJKWKNII-UHFFFAOYSA-N 0 0 407.386 2.735 40 5 HFBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)n1 ZINC000040398903 521784164 /nfs/dbraw/zinc/78/41/64/521784164.db2.gz ULLBMOMNUSQPRO-UHFFFAOYSA-N 0 0 410.503 2.977 40 5 HFBBRN Cc1nc2c(s1)n(CC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)nc2-c1ccco1 ZINC000041105070 527113044 /nfs/dbraw/zinc/11/30/44/527113044.db2.gz KTQVMDDGQLIMDS-UHFFFAOYSA-N 0 0 411.399 2.968 40 5 HFBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572510 557469672 /nfs/dbraw/zinc/46/96/72/557469672.db2.gz IYDUDVAPKXUBAH-UHFFFAOYSA-N 0 0 413.430 2.743 40 5 HFBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408687164 557702912 /nfs/dbraw/zinc/70/29/12/557702912.db2.gz SZEOTOPTOOLJLZ-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000010333789 557860889 /nfs/dbraw/zinc/86/08/89/557860889.db2.gz UDFXZEHVQRKMIS-UHFFFAOYSA-N 0 0 403.460 2.649 40 5 HFBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000013668367 558853096 /nfs/dbraw/zinc/85/30/96/558853096.db2.gz CHRZZRGCOAXDQS-UHFFFAOYSA-N 0 0 409.851 2.701 40 5 HFBBRN NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000205702610 559018327 /nfs/dbraw/zinc/01/83/27/559018327.db2.gz BIXOCIPOWWGLLL-CXUHLZMHSA-N 0 0 413.411 2.695 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000220377995 559065915 /nfs/dbraw/zinc/06/59/15/559065915.db2.gz AXBFHGKROXLBLG-HNNXBMFYSA-N 0 0 405.476 2.716 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000220386875 559068422 /nfs/dbraw/zinc/06/84/22/559068422.db2.gz CKQIKTCVDNAXBY-CYBMUJFWSA-N 0 0 417.553 2.706 40 5 HFBBRN Cc1c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220411945 559076741 /nfs/dbraw/zinc/07/67/41/559076741.db2.gz IVOHEKHJPYVPCQ-GFCCVEGCSA-N 0 0 422.419 2.605 40 5 HFBBRN O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(O)=C12)c1cccc2ccccc21 ZINC000100355324 559196509 /nfs/dbraw/zinc/19/65/09/559196509.db2.gz PRJIOQNROJDCJD-XLIONFOSSA-N 0 0 415.361 2.875 40 5 HFBBRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000408628421 559222145 /nfs/dbraw/zinc/22/21/45/559222145.db2.gz SUCCMFVRQQQYCY-UHFFFAOYSA-N 0 0 400.464 2.729 40 5 HFBBRN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408641835 559223109 /nfs/dbraw/zinc/22/31/09/559223109.db2.gz DCBIKPSDIJKTMV-HNNXBMFYSA-N 0 0 412.398 2.773 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000408653217 559223727 /nfs/dbraw/zinc/22/37/27/559223727.db2.gz DOCPVPJNYXEJSH-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(C)cc2)CC1=O ZINC000408654780 559223746 /nfs/dbraw/zinc/22/37/46/559223746.db2.gz QUJUPQCJFSOQLE-OAHLLOKOSA-N 0 0 412.398 2.691 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC000408681219 559224661 /nfs/dbraw/zinc/22/46/61/559224661.db2.gz QFTYZPSPYWGDNS-UHFFFAOYSA-N 0 0 419.793 2.931 40 5 HFBBRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000409196478 560690457 /nfs/dbraw/zinc/69/04/57/560690457.db2.gz ZJYXNIMKWFIPDN-UHFFFAOYSA-N 0 0 407.448 2.689 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409236352 560699117 /nfs/dbraw/zinc/69/91/17/560699117.db2.gz FDWZVZJUTPYWAH-UHFFFAOYSA-N 0 0 421.475 2.998 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000409382942 560717515 /nfs/dbraw/zinc/71/75/15/560717515.db2.gz YQFOUOLGMBPXTK-UHFFFAOYSA-N 0 0 413.839 2.662 40 5 HFBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000020410900 568604775 /nfs/dbraw/zinc/60/47/75/568604775.db2.gz KWGOMNWGWRZULU-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222512952 568761313 /nfs/dbraw/zinc/76/13/13/568761313.db2.gz QCIAHUHSYFSUTI-GOSISDBHSA-N 0 0 405.476 2.798 40 5 HFBBRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000022230002 568765488 /nfs/dbraw/zinc/76/54/88/568765488.db2.gz LOQMEBIFSLFDHM-QGZVFWFLSA-N 0 0 419.459 2.704 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000022348301 568766603 /nfs/dbraw/zinc/76/66/03/568766603.db2.gz PHLJSLHFTJIWBT-HNNXBMFYSA-N 0 0 405.476 2.855 40 5 HFBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223541331 569027491 /nfs/dbraw/zinc/02/74/91/569027491.db2.gz LFFNTIGUXRXWNJ-OAHLLOKOSA-N 0 0 415.446 2.536 40 5 HFBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCCO ZINC000006624586 569061180 /nfs/dbraw/zinc/06/11/80/569061180.db2.gz SJSQNRRZYCKUBC-CQSZACIVSA-N 0 0 415.449 2.858 40 5 biogenic HFBBRN COc1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017090587 569273337 /nfs/dbraw/zinc/27/33/37/569273337.db2.gz PHMYOMCWPIEUDY-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN CC(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000006325725 569330954 /nfs/dbraw/zinc/33/09/54/569330954.db2.gz BQOMJEADKKMFNI-UHFFFAOYSA-N 0 0 405.476 2.952 40 5 HFBBRN CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000007881410 569338077 /nfs/dbraw/zinc/33/80/77/569338077.db2.gz QKAHBCZKTZMBLJ-HNNXBMFYSA-N 0 0 412.398 2.773 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O ZINC000007881650 569338135 /nfs/dbraw/zinc/33/81/35/569338135.db2.gz BBSJUWBSYZBNQA-HIFRSBDPSA-N 0 0 412.398 2.771 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000008036855 569338904 /nfs/dbraw/zinc/33/89/04/569338904.db2.gz RLXJMUCHCCDGTC-CYBMUJFWSA-N 0 0 415.377 2.577 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)c1 ZINC000008413580 569340460 /nfs/dbraw/zinc/34/04/60/569340460.db2.gz SIOCVTGJWGMXEO-UHFFFAOYSA-N 0 0 415.402 2.812 40 5 HFBBRN COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008416437 569340628 /nfs/dbraw/zinc/34/06/28/569340628.db2.gz ZMJGXFPHMZOIMD-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008416332 569340658 /nfs/dbraw/zinc/34/06/58/569340658.db2.gz ZFMBKCRWQRDRGV-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000009694898 569393892 /nfs/dbraw/zinc/39/38/92/569393892.db2.gz UZYSOCWLPSHIJB-UHFFFAOYSA-N 0 0 412.855 2.743 40 5 HFBBRN CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013136536 569409712 /nfs/dbraw/zinc/40/97/12/569409712.db2.gz DFQLPYSPKQLGGU-VWXURSGXSA-N 0 0 421.446 2.538 40 5 HFBBRN NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000013388151 569413170 /nfs/dbraw/zinc/41/31/70/569413170.db2.gz AEJYATKVHLCXAE-UHFFFAOYSA-N 0 0 414.424 2.583 40 5 HFBBRN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)n2c3ccccc3nc21 ZINC000039963986 571135055 /nfs/dbraw/zinc/13/50/55/571135055.db2.gz DICATJKDCJJENX-GOSISDBHSA-N 0 0 423.429 2.898 40 5 HFBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985240 571136057 /nfs/dbraw/zinc/13/60/57/571136057.db2.gz XTKNAQISALFJNV-UHFFFAOYSA-N 0 0 407.448 2.561 40 5 HFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cncc(Br)c1 ZINC000020611809 132470346 /nfs/dbraw/zinc/47/03/46/132470346.db2.gz VKHXXGQPJFRSTA-UHFFFAOYSA-N 0 0 407.224 2.841 40 5 HFBBRN CCOC(=O)C1CCN(c2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])CC1 ZINC000040584153 520587731 /nfs/dbraw/zinc/58/77/31/520587731.db2.gz NFJRJWWWGWMHLP-UHFFFAOYSA-N 0 0 415.406 2.637 40 5 HFBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccccc1 ZINC000044948345 522381356 /nfs/dbraw/zinc/38/13/56/522381356.db2.gz ZRCGNBJMBCKOHC-INIZCTEOSA-N 0 0 421.475 2.637 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408701120 557721007 /nfs/dbraw/zinc/72/10/07/557721007.db2.gz RVCWTLPMSBYRFF-UHFFFAOYSA-N 0 0 405.432 2.640 40 5 HFBBRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000219440188 558546100 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COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219715876 568497679 /nfs/dbraw/zinc/49/76/79/568497679.db2.gz IKZWKWYSKWCNBZ-UHFFFAOYSA-N 0 0 407.448 2.643 40 5 HFBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccnc1 ZINC000020239110 568595609 /nfs/dbraw/zinc/59/56/09/568595609.db2.gz KVRQLXGDHLECRR-UHFFFAOYSA-N 0 0 412.427 2.824 40 5 HFBBRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022252846 568765647 /nfs/dbraw/zinc/76/56/47/568765647.db2.gz XWSUYTSIDCGOEL-UHFFFAOYSA-N 0 0 423.447 2.650 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022258649 568765871 /nfs/dbraw/zinc/76/58/71/568765871.db2.gz QTNQDEIYIQSYTM-HNNXBMFYSA-N 0 0 403.460 2.943 40 5 HFBBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000217897273 568918454 /nfs/dbraw/zinc/91/84/54/568918454.db2.gz WGTDESOYQBRGES-BJMVGYQFSA-N 0 0 410.386 2.992 40 5 HFBBRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000223591696 569030592 /nfs/dbraw/zinc/03/05/92/569030592.db2.gz CDBAXAYUCGFCIN-UHFFFAOYSA-N 0 0 418.431 2.864 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN1CCCC1=O ZINC000223701844 569031190 /nfs/dbraw/zinc/03/11/90/569031190.db2.gz NRZOWXHLZBYPNS-UHFFFAOYSA-N 0 0 403.460 2.504 40 5 HFBBRN Cc1c(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000223950798 569032876 /nfs/dbraw/zinc/03/28/76/569032876.db2.gz BFICSJBTOMHGEJ-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006269199 569035922 /nfs/dbraw/zinc/03/59/22/569035922.db2.gz CKRCRFAHHODBNA-UHFFFAOYSA-N 0 0 412.446 2.520 40 5 HFBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000138886005 569212003 /nfs/dbraw/zinc/21/20/03/569212003.db2.gz APYISNVZMDJNAM-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccccc3[N+](=O)[O-])N2N1 ZINC000588228355 569246249 /nfs/dbraw/zinc/24/62/49/569246249.db2.gz OKIBISNLALSTSK-IBGZPJMESA-N 0 0 423.498 2.661 40 5 HFBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000017091017 569273507 /nfs/dbraw/zinc/27/35/07/569273507.db2.gz VWGMMDLKWJKQFU-UHFFFAOYSA-N 0 0 417.403 2.978 40 5 HFBBRN COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756773 569287410 /nfs/dbraw/zinc/28/74/10/569287410.db2.gz YRIPLWFTEVGFTM-UHFFFAOYSA-N 0 0 418.349 2.982 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224819728 569290529 /nfs/dbraw/zinc/29/05/29/569290529.db2.gz UPQFXGPDHFKXML-UHFFFAOYSA-N 0 0 423.466 2.639 40 5 HFBBRN COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225039836 569323509 /nfs/dbraw/zinc/32/35/09/569323509.db2.gz WZQIUBMHYUAFRG-UHFFFAOYSA-N 0 0 408.432 2.750 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225085385 569325088 /nfs/dbraw/zinc/32/50/88/569325088.db2.gz BJFIUTSXHZUDHG-UHFFFAOYSA-N 0 0 414.386 2.940 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O ZINC000007881648 569338169 /nfs/dbraw/zinc/33/81/69/569338169.db2.gz BBSJUWBSYZBNQA-UKRRQHHQSA-N 0 0 412.398 2.771 40 5 HFBBRN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008433870 569341003 /nfs/dbraw/zinc/34/10/03/569341003.db2.gz LWDDXARHISDYRA-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000107966842 569353275 /nfs/dbraw/zinc/35/32/75/569353275.db2.gz PHYZFWWJPMBQPR-NTUHNPAUSA-N 0 0 405.750 2.574 40 5 HFBBRN CC(C)[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225188558 569372957 /nfs/dbraw/zinc/37/29/57/569372957.db2.gz ZCJTWXBOQFPJLO-HNNXBMFYSA-N 0 0 405.476 2.951 40 5 HFBBRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113885458 569393332 /nfs/dbraw/zinc/39/33/32/569393332.db2.gz OTFOQDQVCCSQQR-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000329057283 571305849 /nfs/dbraw/zinc/30/58/49/571305849.db2.gz VXDHAJIRFOBFKG-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015674875 291215753 /nfs/dbraw/zinc/21/57/53/291215753.db2.gz MCZNGLOEZRAVBF-MOPGFXCFSA-N 0 0 423.429 2.911 40 5 biogenic,in-vitro HFBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N1CCCC1=O ZINC000044847446 525086495 /nfs/dbraw/zinc/08/64/95/525086495.db2.gz SRKSKKJTBGEBOB-UHFFFAOYSA-N 0 0 405.432 2.839 40 5 HFBBRN Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000006483286 557704734 /nfs/dbraw/zinc/70/47/34/557704734.db2.gz WJHWITZCMZCYCS-UHFFFAOYSA-N 0 0 411.443 2.519 40 5 HFBBRN COc1cc(OCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)ccc1[N+](=O)[O-] ZINC000219829551 558300486 /nfs/dbraw/zinc/30/04/86/558300486.db2.gz QRIMCKLGRBGYPE-UHFFFAOYSA-N 0 0 412.402 2.999 40 5 HFBBRN Cc1c(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220036078 558945863 /nfs/dbraw/zinc/94/58/63/558945863.db2.gz KXJCRZRVTAFTSK-CYBMUJFWSA-N 0 0 409.439 2.686 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000220378067 559065928 /nfs/dbraw/zinc/06/59/28/559065928.db2.gz AXBFHGKROXLBLG-OAHLLOKOSA-N 0 0 405.476 2.716 40 5 HFBBRN CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220401350 559074031 /nfs/dbraw/zinc/07/40/31/559074031.db2.gz OKCFAKKZGOBMOP-CYBMUJFWSA-N 0 0 407.448 2.787 40 5 HFBBRN C[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220414983 559076821 /nfs/dbraw/zinc/07/68/21/559076821.db2.gz PVMHPZLEULRNHC-CQSZACIVSA-N 0 0 403.460 2.729 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420850 559078670 /nfs/dbraw/zinc/07/86/70/559078670.db2.gz VLHOLQUJUQIJKP-GJZGRUSLSA-N 0 0 405.476 2.935 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000014022784 559143184 /nfs/dbraw/zinc/14/31/84/559143184.db2.gz PASQRSICPFHWQQ-OAHLLOKOSA-N 0 0 403.460 2.943 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014019435 559143282 /nfs/dbraw/zinc/14/32/82/559143282.db2.gz BCZFTCLRXOTBDQ-CQSZACIVSA-N 0 0 419.459 2.643 40 5 HFBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000408585425 559220115 /nfs/dbraw/zinc/22/01/15/559220115.db2.gz DJGWFIHCNLBGJN-UHFFFAOYSA-N 0 0 411.867 2.957 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000408606995 559221215 /nfs/dbraw/zinc/22/12/15/559221215.db2.gz MUEIKHNMENPVSO-CQSZACIVSA-N 0 0 421.475 2.916 40 5 HFBBRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408651215 559223311 /nfs/dbraw/zinc/22/33/11/559223311.db2.gz NHTDSPPLKOPFHH-HIFRSBDPSA-N 0 0 412.398 2.771 40 5 HFBBRN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@@H]2c3ccccc3[C@H]1[C@@]2(c1ccccc1)[N+](=O)[O-] ZINC000100644107 559248814 /nfs/dbraw/zinc/24/88/14/559248814.db2.gz WPDBGDWRNAAKCD-WHEACTPUSA-N 0 0 409.394 2.828 40 5 HFBBRN O=C1[C@@H]2[C@H]3C[C@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]43)[C@@H]2C(=O)N1c1ccccc1 ZINC000004744604 560608493 /nfs/dbraw/zinc/60/84/93/560608493.db2.gz LOGYSZUFTVYLIL-NJHADGRTSA-N 0 0 403.394 2.769 40 5 HFBBRN COc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000408811041 560643986 /nfs/dbraw/zinc/64/39/86/560643986.db2.gz LQPPLQANJJXIPL-UITAMQMPSA-N 0 0 420.184 2.874 40 5 HFBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1[N+](=O)[O-] ZINC000409365803 560715342 /nfs/dbraw/zinc/71/53/42/560715342.db2.gz OXYLCOSGRWSIDR-MHWRWJLKSA-N 0 0 419.459 2.898 40 5 HFBBRN NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000206985512 560753030 /nfs/dbraw/zinc/75/30/30/560753030.db2.gz BHLIFRKNCINWDV-FQEVSTJZSA-N 0 0 403.438 2.940 40 5 HFBBRN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000014086040 560837928 /nfs/dbraw/zinc/83/79/28/560837928.db2.gz JXMNEBWNEWMBLJ-ZHRONYKTSA-N 0 0 406.435 2.868 40 5 HFBBRN Cc1ccc2nc3nc(NC[C@H]4CCCO4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1 ZINC000019234378 560872224 /nfs/dbraw/zinc/87/22/24/560872224.db2.gz OELHHNUKKORPEZ-MRXNPFEDSA-N 0 0 421.501 2.814 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(C)(=O)=O ZINC000106114327 560884774 /nfs/dbraw/zinc/88/47/74/560884774.db2.gz KINMEZCLQDTSGP-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260816699 568739968 /nfs/dbraw/zinc/73/99/68/568739968.db2.gz ZNNJNJLWFGYHNA-KBPBESRZSA-N 0 0 421.475 2.635 40 5 HFBBRN CC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222363784 568751267 /nfs/dbraw/zinc/75/12/67/568751267.db2.gz ZJLGXHJHZVAGIB-UHFFFAOYSA-N 0 0 419.459 2.982 40 5 HFBBRN CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517346 568761287 /nfs/dbraw/zinc/76/12/87/568761287.db2.gz JTGAJULDPXBGPK-IBGZPJMESA-N 0 0 417.487 2.724 40 5 HFBBRN CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518311 568761332 /nfs/dbraw/zinc/76/13/32/568761332.db2.gz FTDPBVSAZFSZKR-GOSISDBHSA-N 0 0 405.476 2.764 40 5 HFBBRN CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517411 568761346 /nfs/dbraw/zinc/76/13/46/568761346.db2.gz JTGAJULDPXBGPK-LJQANCHMSA-N 0 0 417.487 2.724 40 5 HFBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222959460 568877758 /nfs/dbraw/zinc/87/77/58/568877758.db2.gz ODNUIIMCUSYHDT-KRWDZBQOSA-N 0 0 415.446 2.536 40 5 HFBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223174420 568921035 /nfs/dbraw/zinc/92/10/35/568921035.db2.gz NFRVYYJKQCGRRQ-CQSZACIVSA-N 0 0 417.487 2.727 40 5 HFBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223174480 568921041 /nfs/dbraw/zinc/92/10/41/568921041.db2.gz NFRVYYJKQCGRRQ-AWEZNQCLSA-N 0 0 417.487 2.727 40 5 HFBBRN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015534160 568945919 /nfs/dbraw/zinc/94/59/19/568945919.db2.gz QSQVAGLERBUCSO-UHFFFAOYSA-N 0 0 420.809 2.884 40 5 HFBBRN COc1ccccc1[C@H]1[C@H]2SC(=N)NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016228425 569030064 /nfs/dbraw/zinc/03/00/64/569030064.db2.gz QAFRUPKHGMKQQW-LSDHHAIUSA-N 0 0 414.403 2.817 40 5 HFBBRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000223762895 569031514 /nfs/dbraw/zinc/03/15/14/569031514.db2.gz AJGLQJSNLOLNFW-UHFFFAOYSA-N 0 0 418.431 2.783 40 5 HFBBRN Cc1c(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224005803 569033041 /nfs/dbraw/zinc/03/30/41/569033041.db2.gz HXKGWSZYERPROJ-UHFFFAOYSA-N 0 0 419.503 2.807 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000224601036 569072551 /nfs/dbraw/zinc/07/25/51/569072551.db2.gz QFOMIOQMZWFIQB-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000017082330 569273013 /nfs/dbraw/zinc/27/30/13/569273013.db2.gz VRHUJPAHAPKCMH-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224770051 569288512 /nfs/dbraw/zinc/28/85/12/569288512.db2.gz OFFANVOQZNNHKD-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224785981 569289524 /nfs/dbraw/zinc/28/95/24/569289524.db2.gz LOQIZLZFLMEXSQ-UHFFFAOYSA-N 0 0 400.359 2.550 40 5 HFBBRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C ZINC000005934770 569329173 /nfs/dbraw/zinc/32/91/73/569329173.db2.gz QUOVNAQIDHBAFT-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006479845 569332967 /nfs/dbraw/zinc/33/29/67/569332967.db2.gz YBOSCXGXVRNSRI-UHFFFAOYSA-N 0 0 405.428 2.802 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000007881672 569338130 /nfs/dbraw/zinc/33/81/30/569338130.db2.gz YYBULHNYLIQOAN-AWEZNQCLSA-N 0 0 400.362 2.821 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c(C)c1 ZINC000008039076 569339056 /nfs/dbraw/zinc/33/90/56/569339056.db2.gz XGGUMOBCTAOYKM-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000008038725 569339077 /nfs/dbraw/zinc/33/90/77/569339077.db2.gz AFPOUSMVZDDHBM-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008416434 569340667 /nfs/dbraw/zinc/34/06/67/569340667.db2.gz BAJOFCUXCIJYBQ-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000008433801 569340927 /nfs/dbraw/zinc/34/09/27/569340927.db2.gz CLVRQXFSSIPTSW-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000010297882 569343310 /nfs/dbraw/zinc/34/33/10/569343310.db2.gz JBUUWACJXLCHMW-QZEKMECESA-N 0 0 414.385 2.942 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113884916 569393375 /nfs/dbraw/zinc/39/33/75/569393375.db2.gz XRXOQUCJBGKFOT-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000113890007 569393509 /nfs/dbraw/zinc/39/35/09/569393509.db2.gz WQQLWKMRWOPHPE-UHFFFAOYSA-N 0 0 412.395 2.501 40 5 HFBBRN COc1cc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000066013804 569393906 /nfs/dbraw/zinc/39/39/06/569393906.db2.gz DBGLVEHRISTEBM-UHFFFAOYSA-N 0 0 405.838 2.984 40 5 HFBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)NC(C)C ZINC000010009033 569394955 /nfs/dbraw/zinc/39/49/55/569394955.db2.gz CNQKFXDIOUEBKW-UHFFFAOYSA-N 0 0 407.448 2.851 40 5 HFBBRN CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520890 558963970 /nfs/dbraw/zinc/96/39/70/558963970.db2.gz WOEAICCVSBURES-VIFPVBQESA-N 0 0 417.075 2.507 40 5 HFBBRN COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220380387 559068346 /nfs/dbraw/zinc/06/83/46/559068346.db2.gz JRWNSRPSBMKHOO-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000220382972 559068376 /nfs/dbraw/zinc/06/83/76/559068376.db2.gz MGTUCDJIPIVZOO-OAHLLOKOSA-N 0 0 417.487 2.643 40 5 HFBBRN CN(C)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)n(C)c(=O)n2C ZINC000408526199 559215027 /nfs/dbraw/zinc/21/50/27/559215027.db2.gz AHJSXVUYZSJBCC-UHFFFAOYSA-N 0 0 403.826 2.757 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408594301 559221451 /nfs/dbraw/zinc/22/14/51/559221451.db2.gz OJCZVUODFYMARC-CYBMUJFWSA-N 0 0 407.448 2.607 40 5 HFBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000408619742 559221589 /nfs/dbraw/zinc/22/15/89/559221589.db2.gz HDTYVYWNSBJJQE-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408620404 559221760 /nfs/dbraw/zinc/22/17/60/559221760.db2.gz ISBPFECPZGNBRB-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN CCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408624230 559221925 /nfs/dbraw/zinc/22/19/25/559221925.db2.gz BTJNEKHKMDYCDF-UHFFFAOYSA-N 0 0 405.392 2.533 40 5 HFBBRN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 ZINC000408641755 559223113 /nfs/dbraw/zinc/22/31/13/559223113.db2.gz MPURAFTWXIXLIS-LBPRGKRZSA-N 0 0 415.402 2.612 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408643773 559223121 /nfs/dbraw/zinc/22/31/21/559223121.db2.gz RVJPLSFYKDLTHI-LLVKDONJSA-N 0 0 400.347 2.503 40 5 HFBBRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408651216 559223346 /nfs/dbraw/zinc/22/33/46/559223346.db2.gz NHTDSPPLKOPFHH-UKRRQHHQSA-N 0 0 412.398 2.771 40 5 HFBBRN COCCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409252434 559246731 /nfs/dbraw/zinc/24/67/31/559246731.db2.gz XUNKJKALGGSLCM-VBKFSLOCSA-N 0 0 407.448 2.504 40 5 HFBBRN CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409117710 560679069 /nfs/dbraw/zinc/67/90/69/560679069.db2.gz MDPUQXIPLQZRHV-UHFFFAOYSA-N 0 0 421.475 2.633 40 5 HFBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O ZINC000409394275 560719682 /nfs/dbraw/zinc/71/96/82/560719682.db2.gz YAHOWELXGXYQMF-LSCVHKIXSA-N 0 0 411.439 2.999 40 5 HFBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000106744725 560893741 /nfs/dbraw/zinc/89/37/41/560893741.db2.gz SUGNJNBJKOOJJK-WDZFZDKYSA-N 0 0 415.221 2.957 40 5 HFBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929901 568585878 /nfs/dbraw/zinc/58/58/78/568585878.db2.gz AAIQGUNIAJCWTC-UHFFFAOYSA-N 0 0 421.475 2.870 40 5 HFBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020494125 568613701 /nfs/dbraw/zinc/61/37/01/568613701.db2.gz XMJNGMHEQVEVBE-KRWDZBQOSA-N 0 0 405.476 2.937 40 5 HFBBRN O=C(NCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000021452474 568702395 /nfs/dbraw/zinc/70/23/95/568702395.db2.gz HPZDYGWLDDRCRE-UHFFFAOYSA-N 0 0 421.841 2.839 40 5 HFBBRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000022257408 568765672 /nfs/dbraw/zinc/76/56/72/568765672.db2.gz KYCLMPXGXULNMY-UHFFFAOYSA-N 0 0 412.402 2.999 40 5 HFBBRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000022347906 568766629 /nfs/dbraw/zinc/76/66/29/568766629.db2.gz JCCFQHMWZDEZHR-HNNXBMFYSA-N 0 0 405.476 2.855 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)[C@@](C)(O)C[C@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003671410 568924624 /nfs/dbraw/zinc/92/46/24/568924624.db2.gz DFQLPYSPKQLGGU-WCLQXYBISA-N 0 0 421.446 2.538 40 5 HFBBRN COc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000015534407 568945923 /nfs/dbraw/zinc/94/59/23/568945923.db2.gz DDKWLPWCULWVGV-UHFFFAOYSA-N 0 0 405.838 2.984 40 5 HFBBRN Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000017081875 569273120 /nfs/dbraw/zinc/27/31/20/569273120.db2.gz SLSPRAXAFVZSNU-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000017083365 569273152 /nfs/dbraw/zinc/27/31/52/569273152.db2.gz FGHGFZRAFVXVQN-UHFFFAOYSA-N 0 0 406.376 2.647 40 5 HFBBRN CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224762833 569288552 /nfs/dbraw/zinc/28/85/52/569288552.db2.gz OZZZLRSXNMRMJJ-UHFFFAOYSA-N 0 0 424.431 2.614 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009814 569322157 /nfs/dbraw/zinc/32/21/57/569322157.db2.gz HPDGZUCKUGFENS-UHFFFAOYSA-N 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COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008417330 569340757 /nfs/dbraw/zinc/34/07/57/569340757.db2.gz HSRCKKMDFBONER-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000008433896 569341011 /nfs/dbraw/zinc/34/10/11/569341011.db2.gz BHZRKMZMORXXCZ-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000010542635 569396621 /nfs/dbraw/zinc/39/66/21/569396621.db2.gz KHJFSUNLYAUSBD-UHFFFAOYSA-N 0 0 409.851 2.701 40 5 HFBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019168833 569414213 /nfs/dbraw/zinc/41/42/13/569414213.db2.gz BNSAJMZXAPGHAE-KURKYZTESA-N 0 0 412.833 2.784 40 5 HFBBRN Cc1c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408592680 557506264 /nfs/dbraw/zinc/50/62/64/557506264.db2.gz NYFZJMRHOAIXKP-CQSZACIVSA-N 0 0 421.475 2.996 40 5 HFBBRN 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ZINC000408589097 559220063 /nfs/dbraw/zinc/22/00/63/559220063.db2.gz DPTMDTPNFDXOFE-CQSZACIVSA-N 0 0 421.475 2.935 40 5 HFBBRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000408622249 559221816 /nfs/dbraw/zinc/22/18/16/559221816.db2.gz MZVKATABQJSCNO-UHFFFAOYSA-N 0 0 421.475 2.917 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000408649038 559223325 /nfs/dbraw/zinc/22/33/25/559223325.db2.gz ZERHEZNTJXOWTM-NSHDSACASA-N 0 0 400.347 2.503 40 5 HFBBRN CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000409119489 559241583 /nfs/dbraw/zinc/24/15/83/559241583.db2.gz SODJHYXZVQDWDI-UHFFFAOYSA-N 0 0 407.448 2.571 40 5 HFBBRN COc1cc(NC[C@H]2COc3c(ccc(OC)c3OC)C2=O)c([N+](=O)[O-])cc1OC ZINC000005550329 560607309 /nfs/dbraw/zinc/60/73/09/560607309.db2.gz ZEHUUMPOOHZPLB-NSHDSACASA-N 0 0 418.402 2.933 40 5 HFBBRN COc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000004909019 560617962 /nfs/dbraw/zinc/61/79/62/560617962.db2.gz LQNUMPBEJMBQBC-UHFFFAOYSA-N 0 0 418.494 2.703 40 5 HFBBRN CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000105647423 560876600 /nfs/dbraw/zinc/87/66/00/560876600.db2.gz OSCNXLLHOOLPBH-RIYZIHGNSA-N 0 0 413.411 2.558 40 5 HFBBRN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410926 568604759 /nfs/dbraw/zinc/60/47/59/568604759.db2.gz ANKKBYVTCYWWGU-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020410905 568604923 /nfs/dbraw/zinc/60/49/23/568604923.db2.gz UKRCFZDMGXJJQN-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251398 568765626 /nfs/dbraw/zinc/76/56/26/568765626.db2.gz MXKKVLRUEBQRHC-UHFFFAOYSA-N 0 0 423.447 2.569 40 5 HFBBRN O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(O)=C12)c1cccc2ccccc21 ZINC000003848896 568927485 /nfs/dbraw/zinc/92/74/85/568927485.db2.gz PRJIOQNROJDCJD-FXAWDEMLSA-N 0 0 415.361 2.875 40 5 HFBBRN CCCCOCCNC(=O)c1cc(C(=O)NCCOCCCC)cc([N+](=O)[O-])c1 ZINC000059520293 568958174 /nfs/dbraw/zinc/95/81/74/568958174.db2.gz DXDXRZYVWTZOAM-UHFFFAOYSA-N 0 0 409.483 2.688 40 5 HFBBRN CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290760 569025373 /nfs/dbraw/zinc/02/53/73/569025373.db2.gz MVGPZGRUWWCVPN-GOSISDBHSA-N 0 0 413.507 2.964 40 5 HFBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223589208 569030562 /nfs/dbraw/zinc/03/05/62/569030562.db2.gz QCYSYABARBKDJB-RBUKOAKNSA-N 0 0 409.471 2.745 40 5 HFBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NN=C2Nc3ccccc3[C@@H](c3ccccc3)N2)cc1 ZINC000016478527 569053786 /nfs/dbraw/zinc/05/37/86/569053786.db2.gz BRDDDRQNXCTRKQ-LJQANCHMSA-N 0 0 423.454 2.758 40 5 HFBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000007389821 569235843 /nfs/dbraw/zinc/23/58/43/569235843.db2.gz DVFKSSURYJINDL-VMPITWQZSA-N 0 0 411.414 2.870 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1C ZINC000007452560 569239544 /nfs/dbraw/zinc/23/95/44/569239544.db2.gz IKDCQSMMZKFFFS-SFHVURJKSA-N 0 0 422.485 2.913 40 5 HFBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc([N+](=O)[O-])c3)N2N1 ZINC000588228411 569246211 /nfs/dbraw/zinc/24/62/11/569246211.db2.gz UWDCAMDKSFPYGA-IBGZPJMESA-N 0 0 423.498 2.661 40 5 HFBBRN Cc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017081870 569273150 /nfs/dbraw/zinc/27/31/50/569273150.db2.gz FKINJCZAOLUUMO-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000017090597 569273526 /nfs/dbraw/zinc/27/35/26/569273526.db2.gz RIMJWYNPQVFFGM-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN COc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017090590 569273985 /nfs/dbraw/zinc/27/39/85/569273985.db2.gz WQYBSKFVIPHYRT-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(O)c1 ZINC000017090583 569274632 /nfs/dbraw/zinc/27/46/32/569274632.db2.gz UYKFFWFKHOUIHL-UHFFFAOYSA-N 0 0 416.459 2.572 40 5 HFBBRN CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225040740 569324658 /nfs/dbraw/zinc/32/46/58/569324658.db2.gz LMGXJQPVBRNRAQ-UHFFFAOYSA-N 0 0 424.431 2.614 40 5 HFBBRN COCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062450 569342145 /nfs/dbraw/zinc/34/21/45/569342145.db2.gz RKHUNVABKZRPBT-UHFFFAOYSA-N 0 0 413.415 2.951 40 5 HFBBRN CC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000010359293 569344040 /nfs/dbraw/zinc/34/40/40/569344040.db2.gz LKWHSDNPPDJZFJ-UHFFFAOYSA-N 0 0 405.432 2.511 40 5 HFBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000008902601 569390848 /nfs/dbraw/zinc/39/08/48/569390848.db2.gz ZDBZDSNKOZXAIY-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329067749 569425053 /nfs/dbraw/zinc/42/50/53/569425053.db2.gz YKSVMQJHUISKJM-NSHDSACASA-N 0 0 403.336 2.559 40 5 HFBBRN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929896 520357232 /nfs/dbraw/zinc/35/72/32/520357232.db2.gz YXYPFFVUMDZRSP-UHFFFAOYSA-N 0 0 421.475 2.870 40 5 HFBBRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000032115154 526146390 /nfs/dbraw/zinc/14/63/90/526146390.db2.gz GLJDUVBLEGMATO-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN Cc1c(CCO)sc[n+]1-c1cnc(C)nc1NSc1ccccc1[N+](=O)[O-] ZINC000005537717 557660039 /nfs/dbraw/zinc/66/00/39/557660039.db2.gz UFASRCQNTXUZBD-UHFFFAOYSA-N 0 0 404.497 2.994 40 5 HFBBRN O=C1[C@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC000004581092 558765599 /nfs/dbraw/zinc/76/55/99/558765599.db2.gz IFMAYTGULJHYIV-RHOFUAETSA-N 0 0 417.425 2.970 40 5 HFBBRN COc1cccc(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)c1 ZINC000038829104 558816082 /nfs/dbraw/zinc/81/60/82/558816082.db2.gz FGTNYRZKRHRBQQ-QGZVFWFLSA-N 0 0 403.438 2.888 40 5 HFBBRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220336368 559062217 /nfs/dbraw/zinc/06/22/17/559062217.db2.gz DFUWZBBOCZVIJN-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220416272 559076823 /nfs/dbraw/zinc/07/68/23/559076823.db2.gz RAGWXGWAGAOVFD-AWEZNQCLSA-N 0 0 423.466 2.637 40 5 HFBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000408543269 559217150 /nfs/dbraw/zinc/21/71/50/559217150.db2.gz OPUUNTUGUJBJIB-FNORWQNLSA-N 0 0 417.418 2.698 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000408601873 559220566 /nfs/dbraw/zinc/22/05/66/559220566.db2.gz CBAJROSNCFWGBE-CQSZACIVSA-N 0 0 421.475 2.916 40 5 HFBBRN O=C(NC(=S)Nc1ncccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408620474 559221725 /nfs/dbraw/zinc/22/17/25/559221725.db2.gz JGQVBHQCHGEYFY-UHFFFAOYSA-N 0 0 401.448 2.813 40 5 HFBBRN O=C(NC(=S)Nc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408622245 559221824 /nfs/dbraw/zinc/22/18/24/559221824.db2.gz OTKNQAMIKUEURZ-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000409255204 559246683 /nfs/dbraw/zinc/24/66/83/559246683.db2.gz YKORFGVOWVZPLA-MDWZMJQESA-N 0 0 403.372 2.871 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409115952 560680328 /nfs/dbraw/zinc/68/03/28/560680328.db2.gz JZCWPVJXCXBJTI-UHFFFAOYSA-N 0 0 413.839 2.662 40 5 HFBBRN COc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000009975297 560760347 /nfs/dbraw/zinc/76/03/47/560760347.db2.gz WVOTVUIBSJTDCN-UHFFFAOYSA-N 0 0 421.431 2.756 40 5 HFBBRN CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCCc1ccccc1 ZINC000020051759 560880244 /nfs/dbraw/zinc/88/02/44/560880244.db2.gz BYTVJKRYPLXRKK-UHFFFAOYSA-N 0 0 401.470 2.955 40 5 HFBBRN Cc1c(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220026202 568501329 /nfs/dbraw/zinc/50/13/29/568501329.db2.gz QZFBVJJGSUFFIX-UHFFFAOYSA-N 0 0 411.867 2.639 40 5 HFBBRN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000020611737 568636422 /nfs/dbraw/zinc/63/64/22/568636422.db2.gz KOMFKVZOHDXSEZ-UHFFFAOYSA-N 0 0 416.390 2.991 40 5 HFBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000261365074 568819513 /nfs/dbraw/zinc/81/95/13/568819513.db2.gz PVHMBEPHSLECME-GOSISDBHSA-O 0 0 410.435 2.680 40 5 HFBBRN COc1ccc(-c2noc(CN(C)C(=O)Cc3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000218163064 568926932 /nfs/dbraw/zinc/92/69/32/568926932.db2.gz NJHSBRUZFAGXGM-UHFFFAOYSA-N 0 0 412.402 2.863 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004142553 568946134 /nfs/dbraw/zinc/94/61/34/568946134.db2.gz LTAJSQLTORSAHL-UGNRZPKXSA-N 0 0 421.446 2.538 40 5 HFBBRN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000007363429 569235435 /nfs/dbraw/zinc/23/54/35/569235435.db2.gz GUYCFMKXQKXKAA-UHFFFAOYSA-N 0 0 402.432 2.502 40 5 HFBBRN COCc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000224820785 569291939 /nfs/dbraw/zinc/29/19/39/569291939.db2.gz YZRBRZVGYUHGJG-UHFFFAOYSA-N 0 0 421.475 2.926 40 5 HFBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1C ZINC000007881749 569338173 /nfs/dbraw/zinc/33/81/73/569338173.db2.gz NNMRFFJQFOFYJH-UHFFFAOYSA-N 0 0 409.398 2.601 40 5 HFBBRN COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008416538 569340642 /nfs/dbraw/zinc/34/06/42/569340642.db2.gz JMMXHXQZCUQBLC-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008416561 569340659 /nfs/dbraw/zinc/34/06/59/569340659.db2.gz DCFLWDVRPFGBGR-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000113889523 569393330 /nfs/dbraw/zinc/39/33/30/569393330.db2.gz VHQPVUUDMUNAKJ-UHFFFAOYSA-N 0 0 402.787 2.756 40 5 HFBBRN CC(=O)n1nc(-c2ccncc2)nc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000012483823 569401570 /nfs/dbraw/zinc/40/15/70/569401570.db2.gz SWTXQKJOQFNBED-UHFFFAOYSA-N 0 0 412.431 2.948 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000039986133 571135961 /nfs/dbraw/zinc/13/59/61/571135961.db2.gz YUKDJGSNBUNZBK-UHFFFAOYSA-N 0 0 407.448 2.643 40 5 HFBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CC(C)C)c(=O)c3cc2c1=O ZINC000040399091 521399288 /nfs/dbraw/zinc/39/92/88/521399288.db2.gz HPAYSCAYYRPNSY-UHFFFAOYSA-N 0 0 421.457 2.565 40 5 HFBBRN Cc1c(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220033150 558945627 /nfs/dbraw/zinc/94/56/27/558945627.db2.gz YJONRTKJYXEVDW-UHFFFAOYSA-N 0 0 423.466 2.557 40 5 HFBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220035840 558945860 /nfs/dbraw/zinc/94/58/60/558945860.db2.gz JZCYQKXZBYYQJX-OAHLLOKOSA-N 0 0 405.476 2.855 40 5 HFBBRN CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518269 558963175 /nfs/dbraw/zinc/96/31/75/558963175.db2.gz LBANISGBDKDKSI-JTQLQIEISA-N 0 0 417.608 2.540 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000022374765 558988432 /nfs/dbraw/zinc/98/84/32/558988432.db2.gz CWICVPBSSQHKJR-UHFFFAOYSA-N 0 0 423.466 2.557 40 5 HFBBRN COc1cccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220171528 559009623 /nfs/dbraw/zinc/00/96/23/559009623.db2.gz HHKMRGNQOJONJX-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN C[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404276 559074132 /nfs/dbraw/zinc/07/41/32/559074132.db2.gz AXFQEHDCMOZLQN-AWEZNQCLSA-N 0 0 423.516 2.658 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220411687 559076739 /nfs/dbraw/zinc/07/67/39/559076739.db2.gz LIXCEVSOTPINGL-LBPRGKRZSA-N 0 0 422.419 2.605 40 5 HFBBRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420366 559078557 /nfs/dbraw/zinc/07/85/57/559078557.db2.gz NJQVCIYQPGDUTE-ZIAGYGMSSA-N 0 0 421.475 2.635 40 5 HFBBRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220420156 559078599 /nfs/dbraw/zinc/07/85/99/559078599.db2.gz WKNVPKVTVXLQFL-AUUYWEPGSA-N 0 0 417.487 2.943 40 5 HFBBRN O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(O)=C12)c1cccc2ccccc21 ZINC000100355321 559196540 /nfs/dbraw/zinc/19/65/40/559196540.db2.gz PRJIOQNROJDCJD-YLJYHZDGSA-N 0 0 415.361 2.875 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642555 559223140 /nfs/dbraw/zinc/22/31/40/559223140.db2.gz OVRNROQZKBKGSX-GFCCVEGCSA-N 0 0 414.374 2.812 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cc1 ZINC000408659666 559223366 /nfs/dbraw/zinc/22/33/66/559223366.db2.gz MNCXEDPTJBYTSX-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408687547 559224612 /nfs/dbraw/zinc/22/46/12/559224612.db2.gz UPEJNTMIWOMVFD-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)N=2 ZINC000408731489 559225884 /nfs/dbraw/zinc/22/58/84/559225884.db2.gz LBKSXMSUSCWRSY-IJZIWBRISA-N 0 0 415.471 2.567 40 5 HFBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000409105053 559240766 /nfs/dbraw/zinc/24/07/66/559240766.db2.gz IEMIYJVOQUGTTH-JZJJTTEJSA-N 0 0 406.398 2.991 40 5 HFBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409229953 559245713 /nfs/dbraw/zinc/24/57/13/559245713.db2.gz AGDAODBKSACRPC-MHWRWJLKSA-N 0 0 424.413 2.697 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000409135657 560682342 /nfs/dbraw/zinc/68/23/42/560682342.db2.gz RQNZYYASCJRDCK-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN CCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1N ZINC000409165520 560686087 /nfs/dbraw/zinc/68/60/87/560686087.db2.gz YZEHKZSOIGOLNB-UHFFFAOYSA-N 0 0 419.492 2.625 40 5 HFBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409363005 560715056 /nfs/dbraw/zinc/71/50/56/560715056.db2.gz IEGBYUIQTKZLHG-YZJXFOOCSA-N 0 0 408.388 2.702 40 5 HFBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000102681044 560821201 /nfs/dbraw/zinc/82/12/01/560821201.db2.gz BNSAJMZXAPGHAE-KZNAEPCWSA-N 0 0 412.833 2.784 40 5 HFBBRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220417317 568505512 /nfs/dbraw/zinc/50/55/12/568505512.db2.gz SNYGCNKELYYOOU-INIZCTEOSA-N 0 0 419.503 2.807 40 5 HFBBRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000028207739 568595659 /nfs/dbraw/zinc/59/56/59/568595659.db2.gz WRBWCMSMHMCHEU-UHFFFAOYSA-N 0 0 421.475 2.951 40 5 HFBBRN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(-c3ccncc3)n2)cc1 ZINC000015022581 568743358 /nfs/dbraw/zinc/74/33/58/568743358.db2.gz QHHSSNSWRGYQQF-UHFFFAOYSA-N 0 0 405.374 2.850 40 5 HFBBRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514883 568761325 /nfs/dbraw/zinc/76/13/25/568761325.db2.gz ZXXBLLYWWVHSOX-QGZVFWFLSA-N 0 0 407.448 2.787 40 5 HFBBRN CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527822 568761799 /nfs/dbraw/zinc/76/17/99/568761799.db2.gz DTOQFQZCMFSJMC-GOSISDBHSA-N 0 0 405.476 2.764 40 5 HFBBRN COc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222580644 568763291 /nfs/dbraw/zinc/76/32/91/568763291.db2.gz OKHIBICXXBVEMJ-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000022392862 568767169 /nfs/dbraw/zinc/76/71/69/568767169.db2.gz LOIYAHOFSJGJKJ-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN Cc1cc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000022438209 568767784 /nfs/dbraw/zinc/76/77/84/568767784.db2.gz UCNZGLNZXCJOLR-UHFFFAOYSA-N 0 0 414.487 2.862 40 5 HFBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000261363389 568819629 /nfs/dbraw/zinc/81/96/29/568819629.db2.gz HCQCUWXSGPLVTC-SFHVURJKSA-O 0 0 410.435 2.680 40 5 HFBBRN O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(O)=C12)c1ccc2ccccc2c1 ZINC000003848917 568927480 /nfs/dbraw/zinc/92/74/80/568927480.db2.gz RXODAPJODQJMQG-FXAWDEMLSA-N 0 0 415.361 2.875 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000223701773 569031186 /nfs/dbraw/zinc/03/11/86/569031186.db2.gz TUOPGCYDSPVJGL-UHFFFAOYSA-N 0 0 403.460 2.504 40 5 HFBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224653416 569280015 /nfs/dbraw/zinc/28/00/15/569280015.db2.gz XOYSVXVQNVZGMN-UHFFFAOYSA-N 0 0 408.432 2.589 40 5 HFBBRN COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225014593 569323479 /nfs/dbraw/zinc/32/34/79/569323479.db2.gz NQOJXKHFUDMUSQ-UHFFFAOYSA-N 0 0 408.432 2.750 40 5 HFBBRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225031982 569323849 /nfs/dbraw/zinc/32/38/49/569323849.db2.gz YZGVFWKHAJTJPN-UHFFFAOYSA-N 0 0 402.787 2.756 40 5 HFBBRN CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225078518 569324144 /nfs/dbraw/zinc/32/41/44/569324144.db2.gz NTUBMBPFECJPOX-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COC(=O)COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000006362246 569331728 /nfs/dbraw/zinc/33/17/28/569331728.db2.gz FUGACWUTIWAXPR-UHFFFAOYSA-N 0 0 414.823 2.909 40 5 HFBBRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000008037413 569338977 /nfs/dbraw/zinc/33/89/77/569338977.db2.gz GDELSFLQZGSVIT-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008416312 569340632 /nfs/dbraw/zinc/34/06/32/569340632.db2.gz IUTXHANZUPGNBH-UHFFFAOYSA-N 0 0 413.386 2.698 40 5 HFBBRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000008433898 569341036 /nfs/dbraw/zinc/34/10/36/569341036.db2.gz QTMKRARXJDDXNK-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O)c1ccc(F)cc1 ZINC000008475277 569341277 /nfs/dbraw/zinc/34/12/77/569341277.db2.gz GDSARLLMOPDILJ-UHFFFAOYSA-N 0 0 413.361 2.513 40 5 HFBBRN O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1cccc(F)c1 ZINC000010296251 569343228 /nfs/dbraw/zinc/34/32/28/569343228.db2.gz MADLLPATANQMHU-INIZCTEOSA-N 0 0 406.337 2.578 40 5 HFBBRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000010297892 569343290 /nfs/dbraw/zinc/34/32/90/569343290.db2.gz ZEKDLMZBJGWKQT-ZGKFYVQTSA-N 0 0 414.385 2.942 40 5 HFBBRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729447 571107039 /nfs/dbraw/zinc/10/70/39/571107039.db2.gz HRSQYNFSGYOXKS-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000329005826 571305949 /nfs/dbraw/zinc/30/59/49/571305949.db2.gz KZIKJZMZXMTUSQ-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 ZINC000032640666 527354168 /nfs/dbraw/zinc/35/41/68/527354168.db2.gz BZEMBVCEVLXDTJ-IRXDYDNUSA-N 0 0 403.485 2.870 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408555956 557452068 /nfs/dbraw/zinc/45/20/68/557452068.db2.gz YCSSYVSBNWVSPT-SNVBAGLBSA-N 0 0 413.839 2.562 40 5 HFBBRN CC(C)Oc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220105870 558993279 /nfs/dbraw/zinc/99/32/79/558993279.db2.gz RYNFMDQJWUPCTG-UHFFFAOYSA-N 0 0 407.448 2.787 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000220387629 559068415 /nfs/dbraw/zinc/06/84/15/559068415.db2.gz YWXFIHFHIFKZSY-NSHDSACASA-N 0 0 413.402 2.975 40 5 HFBBRN Cc1cccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220417468 559076824 /nfs/dbraw/zinc/07/68/24/559076824.db2.gz LLTOGZHCLKPYRF-INIZCTEOSA-N 0 0 419.503 2.807 40 5 HFBBRN CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220417558 559076852 /nfs/dbraw/zinc/07/68/52/559076852.db2.gz IFYYWRFUSYQLFN-CYBMUJFWSA-N 0 0 407.448 2.787 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420710 559078673 /nfs/dbraw/zinc/07/86/73/559078673.db2.gz VLHOLQUJUQIJKP-LSDHHAIUSA-N 0 0 405.476 2.935 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220475474 559119333 /nfs/dbraw/zinc/11/93/33/559119333.db2.gz YBOIBLWLLKFFRU-NSHDSACASA-N 0 0 411.411 2.536 40 5 HFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F ZINC000408563245 559218445 /nfs/dbraw/zinc/21/84/45/559218445.db2.gz KAAXWUPRRVHVTL-KRWDZBQOSA-N 0 0 409.320 2.861 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408594302 559221401 /nfs/dbraw/zinc/22/14/01/559221401.db2.gz OJCZVUODFYMARC-ZDUSSCGKSA-N 0 0 407.448 2.607 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Cl)cc1 ZINC000408670543 559223642 /nfs/dbraw/zinc/22/36/42/559223642.db2.gz RBQZFHUNVIWCDB-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000408660973 559223751 /nfs/dbraw/zinc/22/37/51/559223751.db2.gz NWUGJNMKRMYPTD-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccc([N+](=O)[O-])cc1)N=2 ZINC000408731490 559225768 /nfs/dbraw/zinc/22/57/68/559225768.db2.gz LBKSXMSUSCWRSY-OLMDTSMNSA-N 0 0 415.471 2.567 40 5 HFBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409363003 559248805 /nfs/dbraw/zinc/24/88/05/559248805.db2.gz IEGBYUIQTKZLHG-HXNQLNRQSA-N 0 0 408.388 2.702 40 5 HFBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000104179173 560849056 /nfs/dbraw/zinc/84/90/56/560849056.db2.gz PJTZYMXZEQWUHG-UHFFFAOYSA-N 0 0 424.194 2.803 40 5 HFBBRN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12 ZINC000104496998 560851800 /nfs/dbraw/zinc/85/18/00/560851800.db2.gz GGXKNQVEPWEXPE-RDJZCZTQSA-N 0 0 412.789 2.571 40 5 HFBBRN COC(=O)C(=C\c1nc2ccc([N+](=O)[O-])cc2s1)/C(C(=O)OC)=C1\CCCN1C ZINC000005759138 560882578 /nfs/dbraw/zinc/88/25/78/560882578.db2.gz COICVVAABJJKEZ-PRPHQEAXSA-N 0 0 417.443 2.914 40 5 HFBBRN NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106727639 560893574 /nfs/dbraw/zinc/89/35/74/560893574.db2.gz NAFVMUMEGRZYCL-SXGWCWSVSA-N 0 0 413.411 2.695 40 5 HFBBRN Cc1c(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220031559 568501383 /nfs/dbraw/zinc/50/13/83/568501383.db2.gz OXBUCQCZYJUGSU-HNNXBMFYSA-N 0 0 419.503 2.807 40 5 HFBBRN Cc1c(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220036015 568501441 /nfs/dbraw/zinc/50/14/41/568501441.db2.gz KXJCRZRVTAFTSK-ZDUSSCGKSA-N 0 0 409.439 2.686 40 5 HFBBRN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519204 568761463 /nfs/dbraw/zinc/76/14/63/568761463.db2.gz RKJVLXWCRBMUOM-OAHLLOKOSA-N 0 0 421.431 2.507 40 5 HFBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522122 568761660 /nfs/dbraw/zinc/76/16/60/568761660.db2.gz HMWISUWTQUAQPG-MRXNPFEDSA-N 0 0 422.419 2.686 40 5 HFBBRN CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222526406 568761713 /nfs/dbraw/zinc/76/17/13/568761713.db2.gz VWCRFDKSAUUMHC-KRWDZBQOSA-N 0 0 403.460 2.729 40 5 HFBBRN COc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000218253884 568837172 /nfs/dbraw/zinc/83/71/72/568837172.db2.gz APUIVOBSPJHGQZ-UHFFFAOYSA-N 0 0 413.839 2.662 40 5 HFBBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000217890983 568917988 /nfs/dbraw/zinc/91/79/88/568917988.db2.gz UJJIFUHVHWMCKP-RMKNXTFCSA-N 0 0 410.386 2.992 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004142572 568946097 /nfs/dbraw/zinc/94/60/97/568946097.db2.gz LTAJSQLTORSAHL-IIMDRIAPSA-N 0 0 421.446 2.538 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004142513 568946217 /nfs/dbraw/zinc/94/62/17/568946217.db2.gz AQIDWBRXCNUVNG-UGNRZPKXSA-N 0 0 421.446 2.538 40 5 HFBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000016250194 569030292 /nfs/dbraw/zinc/03/02/92/569030292.db2.gz UDJGVVBHHILAAO-UHFFFAOYSA-N 0 0 419.459 2.705 40 5 HFBBRN CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)s1 ZINC000006860940 569157742 /nfs/dbraw/zinc/15/77/42/569157742.db2.gz GAUACVQTTQEHQP-UHFFFAOYSA-N 0 0 405.465 2.535 40 5 HFBBRN CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000017090265 569273581 /nfs/dbraw/zinc/27/35/81/569273581.db2.gz IMGDZPFCXJRIAW-UHFFFAOYSA-N 0 0 415.435 2.624 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000007872063 569314890 /nfs/dbraw/zinc/31/48/90/569314890.db2.gz YQFUVQPLSNHYLS-NSHDSACASA-N 0 0 411.411 2.536 40 5 HFBBRN CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225028420 569323723 /nfs/dbraw/zinc/32/37/23/569323723.db2.gz KSEUPYHZHLTIPV-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000225074818 569324059 /nfs/dbraw/zinc/32/40/59/569324059.db2.gz OSSHSARKARYYTH-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225081298 569325130 /nfs/dbraw/zinc/32/51/30/569325130.db2.gz LWQINMWEQWMHGN-UHFFFAOYSA-N 0 0 422.459 2.979 40 5 HFBBRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007070783 569336813 /nfs/dbraw/zinc/33/68/13/569336813.db2.gz VRWMZDPXBNDTAM-CQSZACIVSA-N 0 0 421.475 2.998 40 5 HFBBRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008413043 569340369 /nfs/dbraw/zinc/34/03/69/569340369.db2.gz MVFUYUALMOTDSR-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c1 ZINC000008412943 569340384 /nfs/dbraw/zinc/34/03/84/569340384.db2.gz TYUUUAUBRRQPBV-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000010297877 569343214 /nfs/dbraw/zinc/34/32/14/569343214.db2.gz IMFQSRHGBSRFMP-PMQIGOLDSA-N 0 0 414.385 2.942 40 5 HFBBRN C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225264830 569381122 /nfs/dbraw/zinc/38/11/22/569381122.db2.gz ZUVNSCNGIISKPO-HNNXBMFYSA-N 0 0 419.503 2.887 40 5 HFBBRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113886206 569393325 /nfs/dbraw/zinc/39/33/25/569393325.db2.gz RQBIABNSTHAQOG-UHFFFAOYSA-N 0 0 418.349 2.982 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012382694 569400716 /nfs/dbraw/zinc/40/07/16/569400716.db2.gz LTAJSQLTORSAHL-WKRCXCSHSA-N 0 0 421.446 2.538 40 5 HFBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985523 571135996 /nfs/dbraw/zinc/13/59/96/571135996.db2.gz JXBRKVSJMXNGNL-UHFFFAOYSA-N 0 0 407.448 2.561 40 5 HFBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1 ZINC000040398931 521782887 /nfs/dbraw/zinc/78/28/87/521782887.db2.gz SWTZMCDSUOSCFO-UHFFFAOYSA-N 0 0 420.454 2.572 40 5 HFBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccccc1 ZINC000044948349 522682830 /nfs/dbraw/zinc/68/28/30/522682830.db2.gz ZRCGNBJMBCKOHC-MRXNPFEDSA-N 0 0 421.475 2.637 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000044903394 525024272 /nfs/dbraw/zinc/02/42/72/525024272.db2.gz SZOJLCVBEPODDK-UHFFFAOYSA-N 0 0 405.432 2.640 40 5 HFBBRN Cc1nnc(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040398590 526478264 /nfs/dbraw/zinc/47/82/64/526478264.db2.gz XADYUOKUSGTTHM-UHFFFAOYSA-N 0 0 404.817 2.770 40 5 HFBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 ZINC000032640667 527353896 /nfs/dbraw/zinc/35/38/96/527353896.db2.gz BZEMBVCEVLXDTJ-IAGOWNOFSA-N 0 0 403.485 2.870 40 5 HFBBRN CC(=O)Nc1ccc(NC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000002685320 557367511 /nfs/dbraw/zinc/36/75/11/557367511.db2.gz YZDLJPAZMVMJLU-UHFFFAOYSA-N 0 0 423.472 2.688 40 5 HFBBRN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220413663 559076849 /nfs/dbraw/zinc/07/68/49/559076849.db2.gz KYSLIEMQBVEPFP-JKSUJKDBSA-N 0 0 419.503 2.887 40 5 HFBBRN Cc1c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220452912 559079192 /nfs/dbraw/zinc/07/91/92/559079192.db2.gz AUPFGCHLACKNSJ-LLVKDONJSA-N 0 0 413.402 2.975 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014019438 559143116 /nfs/dbraw/zinc/14/31/16/559143116.db2.gz BCZFTCLRXOTBDQ-AWEZNQCLSA-N 0 0 419.459 2.643 40 5 HFBBRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408589095 559220196 /nfs/dbraw/zinc/22/01/96/559220196.db2.gz DPTMDTPNFDXOFE-AWEZNQCLSA-N 0 0 421.475 2.935 40 5 HFBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000408642537 559223082 /nfs/dbraw/zinc/22/30/82/559223082.db2.gz DZLQAXJVSSTOTQ-UHFFFAOYSA-N 0 0 415.789 2.637 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642557 559223132 /nfs/dbraw/zinc/22/31/32/559223132.db2.gz OVRNROQZKBKGSX-LBPRGKRZSA-N 0 0 414.374 2.812 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000408660971 559223732 /nfs/dbraw/zinc/22/37/32/559223732.db2.gz NWUGJNMKRMYPTD-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000409107185 559240794 /nfs/dbraw/zinc/24/07/94/559240794.db2.gz QTITUUZENGKEGU-MKMNVTDBSA-N 0 0 410.404 2.600 40 5 HFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000409180336 559243523 /nfs/dbraw/zinc/24/35/23/559243523.db2.gz QWJHHODZOMBWKO-UHFFFAOYSA-N 0 0 414.370 2.665 40 5 HFBBRN O=C(CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F ZINC000409199753 559244298 /nfs/dbraw/zinc/24/42/98/559244298.db2.gz DNSQLAVTUSUBQE-AAELAGCISA-N 0 0 410.361 2.822 40 5 HFBBRN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100851223 560759990 /nfs/dbraw/zinc/75/99/90/560759990.db2.gz VSDIHQASPCYNQC-SQNIBIBYSA-N 0 0 412.833 2.784 40 5 HFBBRN Cc1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220030504 568501316 /nfs/dbraw/zinc/50/13/16/568501316.db2.gz GBTIHDKQSUUHMP-UHFFFAOYSA-N 0 0 422.419 2.525 40 5 HFBBRN CCN(c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(C)(=O)=O ZINC000019937798 568585899 /nfs/dbraw/zinc/58/58/99/568585899.db2.gz VOXWXCRZWRUBSN-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000095116758 568596127 /nfs/dbraw/zinc/59/61/27/568596127.db2.gz BFEASCNGRQZANS-QGZVFWFLSA-N 0 0 401.375 2.672 40 5 HFBBRN COc1cccc(NC(=O)C(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020274397 568596410 /nfs/dbraw/zinc/59/64/10/568596410.db2.gz XICYDTBUAAZBLK-UHFFFAOYSA-N 0 0 400.460 2.692 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000222363113 568751344 /nfs/dbraw/zinc/75/13/44/568751344.db2.gz FJFBLGYTBIGPRT-UHFFFAOYSA-N 0 0 422.419 2.688 40 5 HFBBRN CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222512880 568761290 /nfs/dbraw/zinc/76/12/90/568761290.db2.gz QCIAHUHSYFSUTI-SFHVURJKSA-N 0 0 405.476 2.798 40 5 HFBBRN CN(c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O ZINC000225736231 568780211 /nfs/dbraw/zinc/78/02/11/568780211.db2.gz JHMXMXNRDBFTTJ-UHFFFAOYSA-N 0 0 413.839 2.662 40 5 HFBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000261364562 568819601 /nfs/dbraw/zinc/81/96/01/568819601.db2.gz MFDPGUNIRGTHCF-GOSISDBHSA-O 0 0 410.435 2.680 40 5 HFBBRN CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224769777 569288537 /nfs/dbraw/zinc/28/85/37/569288537.db2.gz GJXLLOZBAAMXRS-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000225042514 569324640 /nfs/dbraw/zinc/32/46/40/569324640.db2.gz GQYOKUDVBIRLHW-UHFFFAOYSA-N 0 0 421.475 2.733 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225086108 569325106 /nfs/dbraw/zinc/32/51/06/569325106.db2.gz YYFHBVUGYFJURV-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225085268 569325111 /nfs/dbraw/zinc/32/51/11/569325111.db2.gz QFHFXFBIFSCPJE-UHFFFAOYSA-N 0 0 400.359 2.550 40 5 HFBBRN CC(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006306681 569330480 /nfs/dbraw/zinc/33/04/80/569330480.db2.gz UMASJILTKWAOQD-UHFFFAOYSA-N 0 0 405.476 2.952 40 5 HFBBRN COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000006478245 569332956 /nfs/dbraw/zinc/33/29/56/569332956.db2.gz OWVGAUVCZBKWDW-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000007881536 569338088 /nfs/dbraw/zinc/33/80/88/569338088.db2.gz PNOKMMPRVPYLKH-HNNXBMFYSA-N 0 0 412.398 2.773 40 5 HFBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000007881671 569338162 /nfs/dbraw/zinc/33/81/62/569338162.db2.gz YYBULHNYLIQOAN-CQSZACIVSA-N 0 0 400.362 2.821 40 5 HFBBRN COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008412283 569340321 /nfs/dbraw/zinc/34/03/21/569340321.db2.gz XXDZQCNAFZBXSA-UHFFFAOYSA-N 0 0 415.402 2.812 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)c1 ZINC000008416272 569340651 /nfs/dbraw/zinc/34/06/51/569340651.db2.gz MAQVEFPJUOBDCP-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000008433895 569341018 /nfs/dbraw/zinc/34/10/18/569341018.db2.gz LWQZGVNFZCOZEJ-ZDUSSCGKSA-N 0 0 415.377 2.577 40 5 HFBBRN Cc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 ZINC000010153416 569395306 /nfs/dbraw/zinc/39/53/06/569395306.db2.gz GHJMAVAQDORWJV-INIZCTEOSA-N 0 0 406.402 2.992 40 5 HFBBRN O=c1c2cc(Cl)ccc2nc(CN2CCOCC2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000019286063 569414658 /nfs/dbraw/zinc/41/46/58/569414658.db2.gz OPRKKIJDKFJYAU-UHFFFAOYSA-N 0 0 400.822 2.780 40 5 HFBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCC1 ZINC000008476166 571052776 /nfs/dbraw/zinc/05/27/76/571052776.db2.gz RRLNSPMESGVUAO-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN COc1cc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000039759734 571134288 /nfs/dbraw/zinc/13/42/88/571134288.db2.gz ZADFIVGDVULHHA-UHFFFAOYSA-N 0 0 400.347 2.923 40 5 HFBBRN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000040397935 521399163 /nfs/dbraw/zinc/39/91/63/521399163.db2.gz QCKRLJLRLVLUHW-UHFFFAOYSA-N 0 0 407.386 2.735 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000019932874 525023014 /nfs/dbraw/zinc/02/30/14/525023014.db2.gz AGWQVDBXIRWMKI-UHFFFAOYSA-N 0 0 419.459 2.569 40 5 HFBBRN Cc1c(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220025884 558825396 /nfs/dbraw/zinc/82/53/96/558825396.db2.gz YNKVMDUXVQSJJU-UHFFFAOYSA-N 0 0 423.516 2.578 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000013631947 558848643 /nfs/dbraw/zinc/84/86/43/558848643.db2.gz WLVGOVHEVWNSNE-UHFFFAOYSA-N 0 0 423.878 2.703 40 5 HFBBRN Cc1c(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220032361 558945882 /nfs/dbraw/zinc/94/58/82/558945882.db2.gz AUWFUXPZAKVEKF-UHFFFAOYSA-N 0 0 403.460 2.649 40 5 HFBBRN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220420084 559078619 /nfs/dbraw/zinc/07/86/19/559078619.db2.gz WKNVPKVTVXLQFL-IFXJQAMLSA-N 0 0 417.487 2.943 40 5 HFBBRN C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000220421157 559078692 /nfs/dbraw/zinc/07/86/92/559078692.db2.gz CPXMHIXHFPNSEM-STQMWFEESA-N 0 0 409.439 2.766 40 5 HFBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220619760 559174283 /nfs/dbraw/zinc/17/42/83/559174283.db2.gz QNYNNBHREULRDY-KRWDZBQOSA-N 0 0 407.448 2.787 40 5 HFBBRN O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(O)=C12)c1cccc2ccccc21 ZINC000100355328 559196542 /nfs/dbraw/zinc/19/65/42/559196542.db2.gz PRJIOQNROJDCJD-PXNSSMCTSA-N 0 0 415.361 2.875 40 5 HFBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408527391 559215008 /nfs/dbraw/zinc/21/50/08/559215008.db2.gz DKWPJBVVMCKTHA-UHFFFAOYSA-N 0 0 407.448 2.691 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000408553147 559217266 /nfs/dbraw/zinc/21/72/66/559217266.db2.gz OGLUVHJOJVHCOE-ZDUSSCGKSA-N 0 0 407.448 2.526 40 5 HFBBRN CCOC(=O)c1ccc(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c([N+](=O)[O-])c1 ZINC000408573217 559218994 /nfs/dbraw/zinc/21/89/94/559218994.db2.gz MZODPNCRSJUVSJ-UHFFFAOYSA-N 0 0 424.668 2.790 40 5 HFBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000408573031 559219287 /nfs/dbraw/zinc/21/92/87/559219287.db2.gz LEZBOGJLVVGVBT-UHFFFAOYSA-N 0 0 401.394 2.873 40 5 HFBBRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408588370 559219990 /nfs/dbraw/zinc/21/99/90/559219990.db2.gz FQWAQORWMSWIQD-ZDUSSCGKSA-N 0 0 407.448 2.688 40 5 HFBBRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000408621553 559221852 /nfs/dbraw/zinc/22/18/52/559221852.db2.gz LMSFEQWGKKVCQB-UHFFFAOYSA-N 0 0 421.475 2.917 40 5 HFBBRN COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642221 559223145 /nfs/dbraw/zinc/22/31/45/559223145.db2.gz DSWBYRFLKMJYRK-OAHLLOKOSA-N 0 0 412.398 2.691 40 5 HFBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408643593 559223150 /nfs/dbraw/zinc/22/31/50/559223150.db2.gz GGLIFEHUSIMPQF-QGZVFWFLSA-N 0 0 409.398 2.763 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000408647884 559223183 /nfs/dbraw/zinc/22/31/83/559223183.db2.gz XUZWYRGHYONVMJ-CYBMUJFWSA-N 0 0 412.402 2.553 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1C ZINC000408662678 559223730 /nfs/dbraw/zinc/22/37/30/559223730.db2.gz PERTVWQTLBTZRU-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409358641 559248391 /nfs/dbraw/zinc/24/83/91/559248391.db2.gz MVFLGFXJVZVQCE-CPSFFCFKSA-N 0 0 408.388 2.559 40 5 HFBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409242129 560702451 /nfs/dbraw/zinc/70/24/51/560702451.db2.gz MMBJUHFIXFICAE-XOBDNCQPSA-N 0 0 422.397 2.691 40 5 HFBBRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008416546 560755200 /nfs/dbraw/zinc/75/52/00/560755200.db2.gz DAUUHMINRQCSAQ-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN COc1c([N+](=O)[O-])cc(Cc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000104058964 560847831 /nfs/dbraw/zinc/84/78/31/560847831.db2.gz DAVNDXJONFIXRT-UHFFFAOYSA-N 0 0 408.279 2.927 40 5 HFBBRN COc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)ccc1[N+](=O)[O-] ZINC000219829642 568498835 /nfs/dbraw/zinc/49/88/35/568498835.db2.gz DIUCXHMHVMFNRX-UHFFFAOYSA-N 0 0 412.402 2.999 40 5 HFBBRN Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)N(C)C)c1 ZINC000020244861 568595595 /nfs/dbraw/zinc/59/55/95/568595595.db2.gz SQEYDDMOZMSONQ-UHFFFAOYSA-N 0 0 420.491 2.772 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000020492936 568613466 /nfs/dbraw/zinc/61/34/66/568613466.db2.gz QTSQGWVNIJOGSI-ZDUSSCGKSA-N 0 0 409.439 2.686 40 5 HFBBRN Nn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000020522271 568625612 /nfs/dbraw/zinc/62/56/12/568625612.db2.gz FSCCACLDVMMKMR-UHFFFAOYSA-N 0 0 412.475 2.806 40 5 HFBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000022348297 568766693 /nfs/dbraw/zinc/76/66/93/568766693.db2.gz PHLJSLHFTJIWBT-OAHLLOKOSA-N 0 0 405.476 2.855 40 5 HFBBRN CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057363203 568828828 /nfs/dbraw/zinc/82/88/28/568828828.db2.gz HVPMSEMMJHBMBO-UHFFFAOYSA-N 0 0 402.838 2.888 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000030864654 568897685 /nfs/dbraw/zinc/89/76/85/568897685.db2.gz VZSNDMDBRPXXAJ-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN C/N=c1\ss/c(=N\S(=O)(=O)c2ccc(C)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004235222 568952819 /nfs/dbraw/zinc/95/28/19/568952819.db2.gz JDMHNSKGNLDNSN-IQRFGFHNSA-N 0 0 422.513 2.637 40 5 HFBBRN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004263334 568955676 /nfs/dbraw/zinc/95/56/76/568955676.db2.gz KCHCKPCXEDFKQB-GRDNDAEWSA-N 0 0 409.320 2.699 40 5 HFBBRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000016399921 569041133 /nfs/dbraw/zinc/04/11/33/569041133.db2.gz DBSPDMVTJLUCCC-UHFFFAOYSA-N 0 0 419.459 2.833 40 5 HFBBRN Cc1nc(S(=O)(=O)c2ccccc2)c(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000138202826 569069336 /nfs/dbraw/zinc/06/93/36/569069336.db2.gz XDFPSJACMOWAIU-UHFFFAOYSA-N 0 0 422.440 2.698 40 5 HFBBRN COc1ccc(NC2=N[C@H](c3ccc([N+](=O)[O-])cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000007496343 569241531 /nfs/dbraw/zinc/24/15/31/569241531.db2.gz GJGJTAKBESGSDY-SFHVURJKSA-N 0 0 406.402 2.909 40 5 HFBBRN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017092824 569273769 /nfs/dbraw/zinc/27/37/69/569273769.db2.gz UXNZINVHWNOWGL-UHFFFAOYSA-N 0 0 421.866 2.607 40 5 HFBBRN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000017090581 569274624 /nfs/dbraw/zinc/27/46/24/569274624.db2.gz DODWEOJUPXRJSC-UHFFFAOYSA-N 0 0 416.459 2.572 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756499 569287430 /nfs/dbraw/zinc/28/74/30/569287430.db2.gz NCGRIHLFWXNQEN-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004162 569322050 /nfs/dbraw/zinc/32/20/50/569322050.db2.gz RWEYTHAYKNHSDZ-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000225084555 569325060 /nfs/dbraw/zinc/32/50/60/569325060.db2.gz NBOWUNLRKQTYCY-UHFFFAOYSA-N 0 0 409.807 2.702 40 5 HFBBRN Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000004288106 569328171 /nfs/dbraw/zinc/32/81/71/569328171.db2.gz JGHPJXMSSVGANV-UHFFFAOYSA-N 0 0 404.839 2.951 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000008039622 569339104 /nfs/dbraw/zinc/33/91/04/569339104.db2.gz KTRYFXGBUPYEFM-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008415429 569340572 /nfs/dbraw/zinc/34/05/72/569340572.db2.gz DASKQWOUBVXIOZ-UHFFFAOYSA-N 0 0 413.386 2.698 40 5 HFBBRN COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008417301 569340733 /nfs/dbraw/zinc/34/07/33/569340733.db2.gz JAZXPSVFDKQXNL-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000008433800 569340950 /nfs/dbraw/zinc/34/09/50/569340950.db2.gz CLVRQXFSSIPTSW-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000008433886 569341014 /nfs/dbraw/zinc/34/10/14/569341014.db2.gz SITKZMIOQMYLCT-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000010297888 569343313 /nfs/dbraw/zinc/34/33/13/569343313.db2.gz ZEKDLMZBJGWKQT-DOJUMQAQSA-N 0 0 414.385 2.942 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O ZINC000010365307 569344188 /nfs/dbraw/zinc/34/41/88/569344188.db2.gz PYBSQIVNEQXTPJ-UHFFFAOYSA-N 0 0 421.519 2.754 40 5 HFBBRN CCc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000113937441 569393548 /nfs/dbraw/zinc/39/35/48/569393548.db2.gz CZDZLGRQANNMMA-UHFFFAOYSA-N 0 0 407.448 2.571 40 5 HFBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(F)(F)F)n1 ZINC000328964960 569422864 /nfs/dbraw/zinc/42/28/64/569422864.db2.gz BZKSVHJDQQAKMJ-NSHDSACASA-N 0 0 403.336 2.559 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329028597 571305994 /nfs/dbraw/zinc/30/59/94/571305994.db2.gz PVZINCXRTOOJOJ-GOSISDBHSA-N 0 0 408.462 3.488 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000328970759 571306074 /nfs/dbraw/zinc/30/60/74/571306074.db2.gz DMANPCFCXKFEBU-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN Cn1c(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2ccccc21 ZINC000015674889 291227438 /nfs/dbraw/zinc/22/74/38/291227438.db2.gz IRUMGWDONXAJOL-QAPCUYQASA-N 0 0 420.429 2.839 40 5 biogenic,in-vitro HFBBRN CCCCCCn1ccc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398981 520139098 /nfs/dbraw/zinc/13/90/98/520139098.db2.gz QJARQRGKXWOJLS-UHFFFAOYSA-N 0 0 408.462 2.545 40 5 HFBBRN CCOC(=O)C1CCN(c2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])CC1 ZINC000040618787 520587173 /nfs/dbraw/zinc/58/71/73/520587173.db2.gz HMWRBNFHOJXPAJ-UHFFFAOYSA-N 0 0 401.423 2.917 40 5 HFBBRN CCc1nnc(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399147 522123786 /nfs/dbraw/zinc/12/37/86/522123786.db2.gz UDNZDTDVFSARMR-UHFFFAOYSA-N 0 0 412.453 2.624 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O ZINC000034847916 557018319 /nfs/dbraw/zinc/01/83/19/557018319.db2.gz QWNBLHFUXGLTON-MDNKFWRPSA-N 0 0 419.437 2.738 40 5 HFBBRN Cn1c2cc(NC(=O)c3cccc(Br)c3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408536956 557335897 /nfs/dbraw/zinc/33/58/97/557335897.db2.gz YLLLCVQDILDXQF-UHFFFAOYSA-N 0 0 405.208 2.800 40 5 HFBBRN COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H]([C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)O2 ZINC000005741824 557672379 /nfs/dbraw/zinc/67/23/79/557672379.db2.gz XCSPWLQVNNIZQE-XDNAFOTISA-N 0 0 407.419 2.745 40 5 HFBBRN COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H]([C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)O2 ZINC000005741908 557672382 /nfs/dbraw/zinc/67/23/82/557672382.db2.gz XCSPWLQVNNIZQE-XSLAGTTESA-N 0 0 407.419 2.745 40 5 HFBBRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219828823 558299577 /nfs/dbraw/zinc/29/95/77/558299577.db2.gz LBDBZBSSYYQTHS-INIZCTEOSA-N 0 0 422.459 2.653 40 5 HFBBRN CC(C)OC(=O)[C@@H]1C[C@@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004546803 558662207 /nfs/dbraw/zinc/66/22/07/558662207.db2.gz DFQLPYSPKQLGGU-BZLDKRAPSA-N 0 0 421.446 2.538 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000408555495 559218121 /nfs/dbraw/zinc/21/81/21/559218121.db2.gz XGLFGJSBKBPABV-CYBMUJFWSA-N 0 0 407.448 2.526 40 5 HFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000408563248 559218178 /nfs/dbraw/zinc/21/81/78/559218178.db2.gz KAAXWUPRRVHVTL-QGZVFWFLSA-N 0 0 409.320 2.861 40 5 HFBBRN COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642219 559223073 /nfs/dbraw/zinc/22/30/73/559223073.db2.gz DSWBYRFLKMJYRK-HNNXBMFYSA-N 0 0 412.398 2.691 40 5 HFBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O ZINC000409015176 559237151 /nfs/dbraw/zinc/23/71/51/559237151.db2.gz ARUPSQLJYQGLDJ-DUJAKZANSA-N 0 0 410.404 2.600 40 5 HFBBRN O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@H]34)[C@@H]2C(=O)N1c1ccccc1 ZINC000004744606 560608461 /nfs/dbraw/zinc/60/84/61/560608461.db2.gz LOGYSZUFTVYLIL-ARHBBURHSA-N 0 0 403.394 2.769 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930722 568585718 /nfs/dbraw/zinc/58/57/18/568585718.db2.gz DYIQMDYVOWDSCJ-UHFFFAOYSA-N 0 0 403.460 2.915 40 5 HFBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000020410777 568604800 /nfs/dbraw/zinc/60/48/00/568604800.db2.gz OGUJKMGIKKOPEV-UHFFFAOYSA-N 0 0 416.390 2.991 40 5 HFBBRN Cc1ccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 ZINC000000869943 568713924 /nfs/dbraw/zinc/71/39/24/568713924.db2.gz KKHCZNMFTMJGJS-UHFFFAOYSA-N 0 0 417.223 2.958 40 5 HFBBRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260816701 568739958 /nfs/dbraw/zinc/73/99/58/568739958.db2.gz ZNNJNJLWFGYHNA-KGLIPLIRSA-N 0 0 421.475 2.635 40 5 HFBBRN COC(=O)C1C(=C[S@@](=O)c2ccccc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1 ZINC000005813118 568749328 /nfs/dbraw/zinc/74/93/28/568749328.db2.gz BOHJGMFFFQLPIO-WRHNGFHOSA-N 0 0 402.428 2.748 40 5 HFBBRN Cc1cccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222366396 568751364 /nfs/dbraw/zinc/75/13/64/568751364.db2.gz FKVISDHRBVOOIM-UHFFFAOYSA-N 0 0 405.476 2.766 40 5 HFBBRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022252101 568765631 /nfs/dbraw/zinc/76/56/31/568765631.db2.gz OPSPHFVFCNQSNM-UHFFFAOYSA-N 0 0 423.447 2.650 40 5 HFBBRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000022348276 568766637 /nfs/dbraw/zinc/76/66/37/568766637.db2.gz XZJCGYIVNIPIPL-SFHVURJKSA-N 0 0 403.460 2.555 40 5 HFBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000022438205 568767928 /nfs/dbraw/zinc/76/79/28/568767928.db2.gz RKZVUESWEBECKU-UHFFFAOYSA-N 0 0 414.487 2.862 40 5 HFBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000216478133 568825158 /nfs/dbraw/zinc/82/51/58/568825158.db2.gz QWPWMTMSAZGWEF-UHFFFAOYSA-N 0 0 407.448 2.851 40 5 HFBBRN Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)no1 ZINC000035933795 569066689 /nfs/dbraw/zinc/06/66/89/569066689.db2.gz OUYKTDIMDCNEPH-UHFFFAOYSA-N 0 0 424.369 2.939 40 5 HFBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000224541114 569070831 /nfs/dbraw/zinc/07/08/31/569070831.db2.gz YPCBNBSLAQHFFL-UHFFFAOYSA-N 0 0 415.515 2.977 40 5 HFBBRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006880444 569161633 /nfs/dbraw/zinc/16/16/33/569161633.db2.gz JVXXPMDODZEAND-UHFFFAOYSA-N 0 0 407.448 2.609 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017082333 569273092 /nfs/dbraw/zinc/27/30/92/569273092.db2.gz ZVRRWUFBZVDKKL-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)Cc1ccccc1 ZINC000017092151 569273537 /nfs/dbraw/zinc/27/35/37/569273537.db2.gz RNIBJLDMNUFDGN-CQSZACIVSA-N 0 0 420.447 2.544 40 5 HFBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000017088430 569273872 /nfs/dbraw/zinc/27/38/72/569273872.db2.gz FLOKLELQARJCBO-UHFFFAOYSA-N 0 0 410.386 2.996 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224653153 569280014 /nfs/dbraw/zinc/28/00/14/569280014.db2.gz XWSAXNBWANFHPE-UHFFFAOYSA-N 0 0 422.459 2.979 40 5 HFBBRN COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224761787 569288551 /nfs/dbraw/zinc/28/85/51/569288551.db2.gz NQIWWYJRVUUPOK-UHFFFAOYSA-N 0 0 408.432 2.750 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783138 569289585 /nfs/dbraw/zinc/28/95/85/569289585.db2.gz UAGNTRWRLYRFOW-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN COc1ccc(C)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000006472981 569332740 /nfs/dbraw/zinc/33/27/40/569332740.db2.gz DLKNBQNSKDDXLY-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007881401 569338033 /nfs/dbraw/zinc/33/80/33/569338033.db2.gz SGKIACVQFCDFER-DZGCQCFKSA-N 0 0 412.398 2.771 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000008039626 569339109 /nfs/dbraw/zinc/33/91/09/569339109.db2.gz KTRYFXGBUPYEFM-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008417309 569340768 /nfs/dbraw/zinc/34/07/68/569340768.db2.gz KMMKOYZCWBRAAS-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000008433899 569340992 /nfs/dbraw/zinc/34/09/92/569340992.db2.gz QTMKRARXJDDXNK-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000010297886 569343267 /nfs/dbraw/zinc/34/32/67/569343267.db2.gz JBUUWACJXLCHMW-BBVFFXRHSA-N 0 0 414.385 2.942 40 5 HFBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000012139890 569399599 /nfs/dbraw/zinc/39/95/99/569399599.db2.gz DXBNEPDFCBIQJD-KEYYUXOJSA-N 0 0 409.320 2.699 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000328967254 571305857 /nfs/dbraw/zinc/30/58/57/571305857.db2.gz CSEZLGOTKKCFNI-GOSISDBHSA-N 0 0 408.462 3.488 40 5 HFBBRN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329008124 571306121 /nfs/dbraw/zinc/30/61/21/571306121.db2.gz LPQMSQSVCBLSGW-SFHVURJKSA-N 0 0 408.462 3.488 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005099852 132301639 /nfs/dbraw/zinc/30/16/39/132301639.db2.gz GFGJKRDRTLOJOS-UHFFFAOYSA-N 0 0 405.432 2.786 40 5 HFBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000007496730 132324738 /nfs/dbraw/zinc/32/47/38/132324738.db2.gz HUUSEHOPVDOANV-UHFFFAOYSA-N 0 0 412.324 2.651 40 5 HFBBRN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016450514 132463900 /nfs/dbraw/zinc/46/39/00/132463900.db2.gz NMHCLVPSDAFUHU-UHFFFAOYSA-N 0 0 420.809 2.884 40 5 HFBBRN COCc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398993 523162938 /nfs/dbraw/zinc/16/29/38/523162938.db2.gz FMCXJQKQHDBTOP-UGSOOPFHSA-N 0 0 420.473 2.716 40 5 HFBBRN N=C1NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])S1 ZINC000041078037 526840077 /nfs/dbraw/zinc/84/00/77/526840077.db2.gz CSCPECPMDQEAFU-UKTHLTGXSA-N 0 0 405.413 2.501 40 5 HFBBRN COc1cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000219830054 558301098 /nfs/dbraw/zinc/30/10/98/558301098.db2.gz KIXVVKZPDSLRFZ-UHFFFAOYSA-N 0 0 404.404 2.752 40 5 HFBBRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000013581427 558845091 /nfs/dbraw/zinc/84/50/91/558845091.db2.gz JHSRABDJPNQLEH-UHFFFAOYSA-N 0 0 407.448 2.886 40 5 HFBBRN CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520878 558964012 /nfs/dbraw/zinc/96/40/12/558964012.db2.gz CTQFRYINPOMNPQ-VIFPVBQESA-N 0 0 417.075 2.507 40 5 HFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004778054 559056625 /nfs/dbraw/zinc/05/66/25/559056625.db2.gz IMOFNYKBBDWGEE-UHFFFAOYSA-N 0 0 414.378 2.885 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000220377835 559065896 /nfs/dbraw/zinc/06/58/96/559065896.db2.gz KYRQYBQWYLORNL-GJZGRUSLSA-N 0 0 405.476 2.935 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220388072 559068410 /nfs/dbraw/zinc/06/84/10/559068410.db2.gz ZICIXVVBFPVZJM-GFCCVEGCSA-N 0 0 422.419 2.605 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000408553142 559217276 /nfs/dbraw/zinc/21/72/76/559217276.db2.gz OGLUVHJOJVHCOE-CYBMUJFWSA-N 0 0 407.448 2.526 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408589375 559220080 /nfs/dbraw/zinc/22/00/80/559220080.db2.gz HGOUUTROPRCWEX-CQSZACIVSA-N 0 0 421.475 2.996 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000408601871 559220509 /nfs/dbraw/zinc/22/05/09/559220509.db2.gz CBAJROSNCFWGBE-AWEZNQCLSA-N 0 0 421.475 2.916 40 5 HFBBRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000408616936 559221617 /nfs/dbraw/zinc/22/16/17/559221617.db2.gz BQQARANSAXNGGV-UHFFFAOYSA-N 0 0 407.448 2.609 40 5 HFBBRN O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408623744 559221835 /nfs/dbraw/zinc/22/18/35/559221835.db2.gz RSUOOXJVUFTPAT-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(Cl)cc1 ZINC000408640639 559223335 /nfs/dbraw/zinc/22/33/35/559223335.db2.gz BGGORRKSLKJSBP-UHFFFAOYSA-N 0 0 415.789 2.637 40 5 HFBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408683755 559224591 /nfs/dbraw/zinc/22/45/91/559224591.db2.gz LZQWQRYDBDGRBT-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409344875 559247943 /nfs/dbraw/zinc/24/79/43/559247943.db2.gz JKVDZTYNWGUVCT-NSIKDUERSA-N 0 0 408.388 2.703 40 5 HFBBRN CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005246171 560548371 /nfs/dbraw/zinc/54/83/71/560548371.db2.gz VDXVWBPDFWEFEW-UHFFFAOYSA-N 0 0 414.414 2.930 40 5 HFBBRN CC(=O)[C@H](C(=O)OC(C)C)C(c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)OC(C)C ZINC000005381323 560577193 /nfs/dbraw/zinc/57/71/93/560577193.db2.gz DPHUMJWVOASNEI-ROUUACIJSA-N 0 0 421.446 2.992 40 5 HFBBRN Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004895270 560611091 /nfs/dbraw/zinc/61/10/91/560611091.db2.gz YAVYTTREZJMIEQ-UHFFFAOYSA-N 0 0 401.448 2.674 40 5 HFBBRN COCCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000409000787 560663861 /nfs/dbraw/zinc/66/38/61/560663861.db2.gz XYZNRTINMQXAJX-IBGZPJMESA-N 0 0 415.446 2.585 40 5 HFBBRN O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000409196971 560690549 /nfs/dbraw/zinc/69/05/49/560690549.db2.gz YMWVTNCXCVHQGV-AQTBWJFISA-N 0 0 408.414 2.524 40 5 HFBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 ZINC000102681042 560821195 /nfs/dbraw/zinc/82/11/95/560821195.db2.gz BNSAJMZXAPGHAE-FGTMMUONSA-N 0 0 412.833 2.784 40 5 HFBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000034920987 560858678 /nfs/dbraw/zinc/85/86/78/560858678.db2.gz ODGVDJAIRIUVJP-UHFFFAOYSA-N 0 0 423.248 2.583 40 5 HFBBRN Cc1cc(NC(=O)COC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)no1 ZINC000020353844 568599707 /nfs/dbraw/zinc/59/97/07/568599707.db2.gz IMJUMNSBLRERBD-UHFFFAOYSA-N 0 0 424.369 2.939 40 5 HFBBRN O=C(N[C@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000005809421 568735688 /nfs/dbraw/zinc/73/56/88/568735688.db2.gz ZGHYXQZXLUYDJA-AWEZNQCLSA-N 0 0 403.738 2.609 40 5 HFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000897893 568740813 /nfs/dbraw/zinc/74/08/13/568740813.db2.gz QARLWIPZKUPOPJ-UHFFFAOYSA-N 0 0 406.398 2.937 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000222365985 568751332 /nfs/dbraw/zinc/75/13/32/568751332.db2.gz JUABQWSSPDYPMF-UHFFFAOYSA-N 0 0 419.503 2.890 40 5 HFBBRN CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518249 568761366 /nfs/dbraw/zinc/76/13/66/568761366.db2.gz FTDPBVSAZFSZKR-SFHVURJKSA-N 0 0 405.476 2.764 40 5 HFBBRN COc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222591280 568764827 /nfs/dbraw/zinc/76/48/27/568764827.db2.gz VJSUZDQUCSOHSF-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000022523052 568769610 /nfs/dbraw/zinc/76/96/10/568769610.db2.gz HVDGUKBFAIZMEW-UHFFFAOYSA-N 0 0 407.448 2.851 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225793596 568781825 /nfs/dbraw/zinc/78/18/25/568781825.db2.gz JBJMBMJQVPNHPS-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223589266 569030571 /nfs/dbraw/zinc/03/05/71/569030571.db2.gz QCYSYABARBKDJB-OALUTQOASA-N 0 0 409.471 2.745 40 5 HFBBRN COC(=O)C(/C(=C/c1nc2ccc([N+](=O)[O-])cc2s1)C(=O)OC)=C1\CCCN1C ZINC000017174745 569275934 /nfs/dbraw/zinc/27/59/34/569275934.db2.gz COICVVAABJJKEZ-LHNBAYGQSA-N 0 0 417.443 2.914 40 5 HFBBRN CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224770253 569288572 /nfs/dbraw/zinc/28/85/72/569288572.db2.gz YOPWEMYWQORIPF-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000224989989 569317607 /nfs/dbraw/zinc/31/76/07/569317607.db2.gz JYDHKSQZDXMGHA-UHFFFAOYSA-N 0 0 410.473 2.993 40 5 HFBBRN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000006652953 569334311 /nfs/dbraw/zinc/33/43/11/569334311.db2.gz IUTUOXFBYBJINF-OAHLLOKOSA-N 0 0 411.414 2.692 40 5 HFBBRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000007232523 569336933 /nfs/dbraw/zinc/33/69/33/569336933.db2.gz OOEANLOYLASTTJ-HOCLYGCPSA-N 0 0 411.414 2.686 40 5 HFBBRN CCOc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000007881409 569338119 /nfs/dbraw/zinc/33/81/19/569338119.db2.gz QKAHBCZKTZMBLJ-OAHLLOKOSA-N 0 0 412.398 2.773 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000007940224 569338817 /nfs/dbraw/zinc/33/88/17/569338817.db2.gz RJDXMSVUHAGGAG-CQSZACIVSA-N 0 0 403.435 2.566 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000008433868 569341021 /nfs/dbraw/zinc/34/10/21/569341021.db2.gz CQVREWYQGOMVED-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CCOC(=O)c1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1N ZINC000025135673 569349838 /nfs/dbraw/zinc/34/98/38/569349838.db2.gz YIMZETCIDWKJPM-UHFFFAOYSA-N 0 0 411.827 2.528 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000046346793 569352140 /nfs/dbraw/zinc/35/21/40/569352140.db2.gz PMDDYVWTQKWPCG-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN CCNc1nc(NCC)nc(SCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])n1 ZINC000008871576 569390696 /nfs/dbraw/zinc/39/06/96/569390696.db2.gz YWNKUQZAVYSCJA-UHFFFAOYSA-N 0 0 421.483 2.773 40 5 HFBBRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000008902444 569390808 /nfs/dbraw/zinc/39/08/08/569390808.db2.gz TXSSCYJTRKUYPA-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN Cc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 ZINC000010153418 569395333 /nfs/dbraw/zinc/39/53/33/569395333.db2.gz GHJMAVAQDORWJV-MRXNPFEDSA-N 0 0 406.402 2.992 40 5 HFBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010542630 569396606 /nfs/dbraw/zinc/39/66/06/569396606.db2.gz CNWKIIKRZVBQAK-UHFFFAOYSA-N 0 0 409.851 2.701 40 5 HFBBRN O=C(c1ccccc1Cl)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 ZINC000070461898 569410490 /nfs/dbraw/zinc/41/04/90/569410490.db2.gz ZYINNJSLBNGLEM-UHFFFAOYSA-N 0 0 412.837 2.791 40 5 HFBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261363387 569413482 /nfs/dbraw/zinc/41/34/82/569413482.db2.gz HCQCUWXSGPLVTC-GOSISDBHSA-O 0 0 410.435 2.680 40 5 HFBBRN CC(C)[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000329057281 571306126 /nfs/dbraw/zinc/30/61/26/571306126.db2.gz VXDHAJIRFOBFKG-IBGZPJMESA-N 0 0 408.462 3.488 40 5 HFBBRN CC[C@@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O ZINC000008995960 132334829 /nfs/dbraw/zinc/33/48/29/132334829.db2.gz MBRANFPVIJLCSR-PJUBBZNESA-N 0 0 414.462 2.763 40 5 HFBBRN COc1cc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000020496155 522166026 /nfs/dbraw/zinc/16/60/26/522166026.db2.gz SVLGZRIUSIGIFR-UHFFFAOYSA-N 0 0 400.347 2.923 40 5 HFBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000032119037 527458613 /nfs/dbraw/zinc/45/86/13/527458613.db2.gz BPDQIWBZMLHRDU-UHFFFAOYSA-N 0 0 404.448 2.932 40 5 HFBBRN 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ZINC000057712377 568858581 /nfs/dbraw/zinc/85/85/81/568858581.db2.gz NFBLFRLEMINFRA-UHFFFAOYSA-N 0 0 412.446 2.567 40 5 HFBBRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000223581889 569030545 /nfs/dbraw/zinc/03/05/45/569030545.db2.gz OFJVZDBFPMGACV-UHFFFAOYSA-N 0 0 418.431 2.830 40 5 HFBBRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000223762986 569031552 /nfs/dbraw/zinc/03/15/52/569031552.db2.gz CKMOOQYVEJFWLH-UHFFFAOYSA-N 0 0 418.431 2.783 40 5 HFBBRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223795934 569031740 /nfs/dbraw/zinc/03/17/40/569031740.db2.gz YOBQQXJSHKQNRK-QGZVFWFLSA-N 0 0 407.448 2.787 40 5 HFBBRN CCCC[C@@H](CC)CNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223881648 569032104 /nfs/dbraw/zinc/03/21/04/569032104.db2.gz FAVACMYYOSKKNF-CQSZACIVSA-N 0 0 415.512 2.702 40 5 HFBBRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000223950756 569032862 /nfs/dbraw/zinc/03/28/62/569032862.db2.gz BFICSJBTOMHGEJ-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc([N+](=O)[O-])c3)N2N1 ZINC000588228412 569246169 /nfs/dbraw/zinc/24/61/69/569246169.db2.gz UWDCAMDKSFPYGA-LJQANCHMSA-N 0 0 423.498 2.661 40 5 HFBBRN CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc21 ZINC000017059240 569272806 /nfs/dbraw/zinc/27/28/06/569272806.db2.gz CAAWIOGGSZEECZ-UHFFFAOYSA-N 0 0 404.364 2.886 40 5 HFBBRN Cc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017081871 569273128 /nfs/dbraw/zinc/27/31/28/569273128.db2.gz BJIXZSFISFEYRT-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224788033 569289505 /nfs/dbraw/zinc/28/95/05/569289505.db2.gz PYDQDMCJGKFEOX-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224786115 569289534 /nfs/dbraw/zinc/28/95/34/569289534.db2.gz YYXRONDSSVGPLP-UHFFFAOYSA-N 0 0 414.386 2.940 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224865681 569293315 /nfs/dbraw/zinc/29/33/15/569293315.db2.gz DJTVMJSPEUJLKY-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007701447 569301348 /nfs/dbraw/zinc/30/13/48/569301348.db2.gz WQLCSKPFJOFIEJ-UHFFFAOYSA-N 0 0 419.459 2.643 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225010691 569323366 /nfs/dbraw/zinc/32/33/66/569323366.db2.gz QFECFPWCFWIGRF-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225022231 569323722 /nfs/dbraw/zinc/32/37/22/569323722.db2.gz LROJJKGJMLJTBI-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225090421 569325102 /nfs/dbraw/zinc/32/51/02/569325102.db2.gz NXTWZESBBPJHTJ-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007881402 569338025 /nfs/dbraw/zinc/33/80/25/569338025.db2.gz SGKIACVQFCDFER-UKRRQHHQSA-N 0 0 412.398 2.771 40 5 HFBBRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008413037 569340389 /nfs/dbraw/zinc/34/03/89/569340389.db2.gz VOIVFJLWXUIOEI-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000008433902 569341004 /nfs/dbraw/zinc/34/10/04/569341004.db2.gz LPLPNZFZBVJVGO-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000113889080 569393371 /nfs/dbraw/zinc/39/33/71/569393371.db2.gz YOIHUGYEHUTFOX-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CC(=O)c1sc(C2CCN(C(=O)CCCn3cc([N+](=O)[O-])cn3)CC2)nc1C ZINC000012186177 569399932 /nfs/dbraw/zinc/39/99/32/569399932.db2.gz YSUIHUZZRCYAEL-UHFFFAOYSA-N 0 0 405.480 2.945 40 5 HFBBRN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013151973 569410090 /nfs/dbraw/zinc/41/00/90/569410090.db2.gz SBRXPLBCEZMBKQ-UHFFFAOYSA-N 0 0 417.399 2.730 40 5 HFBBRN COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000013400273 569413267 /nfs/dbraw/zinc/41/32/67/569413267.db2.gz YHUIGNVSNFMUAC-UHFFFAOYSA-N 0 0 400.420 2.618 40 5 HFBBRN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329028599 571306307 /nfs/dbraw/zinc/30/63/07/571306307.db2.gz PVZINCXRTOOJOJ-SFHVURJKSA-N 0 0 408.462 3.488 40 5 HFBBRN CCCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O ZINC000040399087 521391217 /nfs/dbraw/zinc/39/12/17/521391217.db2.gz KZZNSCKVBQCNNV-UHFFFAOYSA-N 0 0 421.457 2.709 40 5 HFBBRN Cc1[nH]nc(SCC(=O)NC2=C(C)N(Cc3ccccc3C)N[C@H]2C)c1[N+](=O)[O-] ZINC000020418464 526528834 /nfs/dbraw/zinc/52/88/34/526528834.db2.gz FZEILRPCUILUFX-LBPRGKRZSA-N 0 0 416.507 2.783 40 5 HFBBRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000408671369 557665805 /nfs/dbraw/zinc/66/58/05/557665805.db2.gz XYKXSVAHDACZDU-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711439 558857721 /nfs/dbraw/zinc/85/77/21/558857721.db2.gz VCPOBLFBUCVKOO-MRXNPFEDSA-N 0 0 407.448 2.787 40 5 HFBBRN CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220411287 559076759 /nfs/dbraw/zinc/07/67/59/559076759.db2.gz LFQUTOMGUFNGMH-GFCCVEGCSA-N 0 0 405.432 2.591 40 5 HFBBRN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220421021 559078662 /nfs/dbraw/zinc/07/86/62/559078662.db2.gz CPXMHIXHFPNSEM-QWHCGFSZSA-N 0 0 409.439 2.766 40 5 HFBBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420637 559078675 /nfs/dbraw/zinc/07/86/75/559078675.db2.gz VLHOLQUJUQIJKP-HUUCEWRRSA-N 0 0 405.476 2.935 40 5 HFBBRN O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(O)=C12)c1ccc2ccccc2c1 ZINC000100355300 559196528 /nfs/dbraw/zinc/19/65/28/559196528.db2.gz RXODAPJODQJMQG-PXNSSMCTSA-N 0 0 415.361 2.875 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408555955 559217439 /nfs/dbraw/zinc/21/74/39/559217439.db2.gz YCSSYVSBNWVSPT-JTQLQIEISA-N 0 0 413.839 2.562 40 5 HFBBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c(OC)c1 ZINC000408647812 559223202 /nfs/dbraw/zinc/22/32/02/559223202.db2.gz XNNXLEYRZYJMJF-GFCCVEGCSA-N 0 0 415.402 2.612 40 5 HFBBRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408651214 559223334 /nfs/dbraw/zinc/22/33/34/559223334.db2.gz NHTDSPPLKOPFHH-DZGCQCFKSA-N 0 0 412.398 2.771 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(Cl)c1 ZINC000408669827 559223612 /nfs/dbraw/zinc/22/36/12/559223612.db2.gz OXSNDYPHQHVZLV-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(Cl)c1 ZINC000408669824 559223628 /nfs/dbraw/zinc/22/36/28/559223628.db2.gz OXSNDYPHQHVZLV-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408661113 559223753 /nfs/dbraw/zinc/22/37/53/559223753.db2.gz OEWWOPAGNQFEDE-HNNXBMFYSA-N 0 0 411.414 2.692 40 5 HFBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408700705 559224398 /nfs/dbraw/zinc/22/43/98/559224398.db2.gz KPJRUESRCFOADI-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O ZINC000409015173 560666309 /nfs/dbraw/zinc/66/63/09/560666309.db2.gz ARUPSQLJYQGLDJ-CULDGANSSA-N 0 0 410.404 2.600 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O ZINC000033758796 568698705 /nfs/dbraw/zinc/69/87/05/568698705.db2.gz INLCSPXSZDKKBZ-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222514903 568761357 /nfs/dbraw/zinc/76/13/57/568761357.db2.gz KJQUGHORXMKMPQ-UHFFFAOYSA-N 0 0 413.839 2.905 40 5 HFBBRN CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521022 568761719 /nfs/dbraw/zinc/76/17/19/568761719.db2.gz WXODCIUQZDAOEB-OAHLLOKOSA-N 0 0 417.553 2.787 40 5 HFBBRN CC[C@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530992 568762732 /nfs/dbraw/zinc/76/27/32/568762732.db2.gz GLWMQKPPFYDIAW-GOSISDBHSA-N 0 0 419.503 2.807 40 5 HFBBRN CC(C)Oc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000022390019 568767067 /nfs/dbraw/zinc/76/70/67/568767067.db2.gz CKWQOMVMRDIJON-UHFFFAOYSA-N 0 0 407.448 2.787 40 5 HFBBRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000216388785 568824370 /nfs/dbraw/zinc/82/43/70/568824370.db2.gz PUKICVDBSNXNGL-CQSZACIVSA-N 0 0 421.475 2.637 40 5 HFBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000218255514 568837095 /nfs/dbraw/zinc/83/70/95/568837095.db2.gz ZGVVOCFHLUPJCT-UHFFFAOYSA-N 0 0 413.839 2.662 40 5 HFBBRN 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ZINC000113885789 569393328 /nfs/dbraw/zinc/39/33/28/569393328.db2.gz OLWYYXVXQSUYIA-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000010326037 569395679 /nfs/dbraw/zinc/39/56/79/569395679.db2.gz IYMXCASNMXEDJU-HNNXBMFYSA-N 0 0 407.382 2.694 40 5 HFBBRN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461848 569410497 /nfs/dbraw/zinc/41/04/97/569410497.db2.gz YGKAKTSPYJFIPY-UHFFFAOYSA-N 0 0 412.837 2.791 40 5 HFBBRN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985532 571135911 /nfs/dbraw/zinc/13/59/11/571135911.db2.gz TZUUMVGQNARKET-UHFFFAOYSA-N 0 0 421.475 2.870 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1 ZINC000329051422 571306015 /nfs/dbraw/zinc/30/60/15/571306015.db2.gz UWUWYJCGQSITSA-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN Cc1cc(I)cnc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000032125069 525013383 /nfs/dbraw/zinc/01/33/83/525013383.db2.gz 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Cc1ccccc1CNC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220383704 559068390 /nfs/dbraw/zinc/06/83/90/559068390.db2.gz OPRKKAHEQSGZMJ-OAHLLOKOSA-N 0 0 405.476 2.683 40 5 HFBBRN CCOc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220401266 559074043 /nfs/dbraw/zinc/07/40/43/559074043.db2.gz PNHWBFVKXCVGAS-ZDUSSCGKSA-N 0 0 407.448 2.787 40 5 HFBBRN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404805 559074101 /nfs/dbraw/zinc/07/41/01/559074101.db2.gz DJQXHVPZPJIYRS-GFCCVEGCSA-N 0 0 411.867 2.719 40 5 HFBBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420787 559078651 /nfs/dbraw/zinc/07/86/51/559078651.db2.gz VLHOLQUJUQIJKP-CABCVRRESA-N 0 0 405.476 2.935 40 5 HFBBRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420555 559078664 /nfs/dbraw/zinc/07/86/64/559078664.db2.gz NJQVCIYQPGDUTE-KBPBESRZSA-N 0 0 421.475 2.635 40 5 HFBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Br ZINC000004973958 559220185 /nfs/dbraw/zinc/22/01/85/559220185.db2.gz CETCCNLFPPISDQ-UHFFFAOYSA-N 0 0 403.196 2.650 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000408638416 559222685 /nfs/dbraw/zinc/22/26/85/559222685.db2.gz CDLYYXQNQSVOPK-LBPRGKRZSA-N 0 0 414.374 2.812 40 5 HFBBRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408648620 559223327 /nfs/dbraw/zinc/22/33/27/559223327.db2.gz ZUNASLKRIPEOME-UHFFFAOYSA-N 0 0 411.292 2.891 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)c1 ZINC000408663400 559223537 /nfs/dbraw/zinc/22/35/37/559223537.db2.gz SESBQBFOPHJWBH-UHFFFAOYSA-N 0 0 419.365 2.643 40 5 HFBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408710507 559225074 /nfs/dbraw/zinc/22/50/74/559225074.db2.gz XRVDIWPPAUPTHF-UHFFFAOYSA-N 0 0 400.263 2.714 40 5 HFBBRN N=C1NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)S1 ZINC000408753441 559226238 /nfs/dbraw/zinc/22/62/38/559226238.db2.gz MTAMENQKEJPULU-ZSOIEALJSA-N 0 0 405.413 2.501 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000409229740 559245711 /nfs/dbraw/zinc/24/57/11/559245711.db2.gz ULENKJQYRQDQQH-UHFFFAOYSA-N 0 0 407.448 2.607 40 5 HFBBRN COc1ccccc1[C@@H]1[C@@H]2SC(=N)NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136774467 560770867 /nfs/dbraw/zinc/77/08/67/560770867.db2.gz QAFRUPKHGMKQQW-CABCVRRESA-N 0 0 414.403 2.817 40 5 HFBBRN O=C(NC1CCCC1)c1cc2c(nc3ccccn3c2=O)nc1NC[C@H]1CCCO1 ZINC000026456963 568549924 /nfs/dbraw/zinc/54/99/24/568549924.db2.gz QEPPDHSXTZECMU-OAHLLOKOSA-N 0 0 407.474 2.506 40 5 HFBBRN CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516594 568761277 /nfs/dbraw/zinc/76/12/77/568761277.db2.gz XAHANZVGSHTASC-INIZCTEOSA-N 0 0 407.448 2.787 40 5 HFBBRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519139 568761508 /nfs/dbraw/zinc/76/15/08/568761508.db2.gz RKJVLXWCRBMUOM-HNNXBMFYSA-N 0 0 421.431 2.507 40 5 HFBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251405 568765745 /nfs/dbraw/zinc/76/57/45/568765745.db2.gz GJWPCRUUYYTJJH-UHFFFAOYSA-N 0 0 423.447 2.569 40 5 HFBBRN CN(Cc1ccccc1)C(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222683366 568767929 /nfs/dbraw/zinc/76/79/29/568767929.db2.gz WGCSNFYZJUBLJQ-UHFFFAOYSA-N 0 0 405.476 2.800 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC000218322655 568929309 /nfs/dbraw/zinc/92/93/09/568929309.db2.gz FWIOEAYJCAXWBX-UHFFFAOYSA-N 0 0 401.803 2.792 40 5 HFBBRN Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2Cc2ccccc2F)cc1 ZINC000001443529 568968961 /nfs/dbraw/zinc/96/89/61/568968961.db2.gz CZCQJMPOKKYILI-UHFFFAOYSA-N 0 0 412.410 2.809 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O ZINC000223690171 569031170 /nfs/dbraw/zinc/03/11/70/569031170.db2.gz WVZWPTRCWGMKRI-UHFFFAOYSA-N 0 0 419.503 2.807 40 5 HFBBRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000223978159 569032909 /nfs/dbraw/zinc/03/29/09/569032909.db2.gz MMALQPQANZUOMU-UHFFFAOYSA-N 0 0 409.489 2.884 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000016691847 569070538 /nfs/dbraw/zinc/07/05/38/569070538.db2.gz NLSLQWVWJLZQAX-UHFFFAOYSA-N 0 0 407.448 2.561 40 5 HFBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017082331 569273005 /nfs/dbraw/zinc/27/30/05/569273005.db2.gz LBDRYBSBAGNZSN-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224791103 569289856 /nfs/dbraw/zinc/28/98/56/569289856.db2.gz VJBVGQOAGNTJIW-UHFFFAOYSA-N 0 0 424.431 2.532 40 5 HFBBRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007881403 569338042 /nfs/dbraw/zinc/33/80/42/569338042.db2.gz SGKIACVQFCDFER-ZFWWWQNUSA-N 0 0 412.398 2.771 40 5 HFBBRN CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000007881535 569338100 /nfs/dbraw/zinc/33/81/00/569338100.db2.gz PNOKMMPRVPYLKH-OAHLLOKOSA-N 0 0 412.398 2.773 40 5 HFBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(F)cc1 ZINC000007881762 569338160 /nfs/dbraw/zinc/33/81/60/569338160.db2.gz RDFFLYDSKFBCTM-UHFFFAOYSA-N 0 0 413.361 2.513 40 5 HFBBRN COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008416581 569340635 /nfs/dbraw/zinc/34/06/35/569340635.db2.gz HHTOGNNYISTCMN-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000022505713 569349799 /nfs/dbraw/zinc/34/97/99/569349799.db2.gz IIZRQLITZIHESV-UHFFFAOYSA-N 0 0 419.187 2.697 40 5 HFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cncc(Br)c1 ZINC000008902483 569390830 /nfs/dbraw/zinc/39/08/30/569390830.db2.gz RMBULLGECRHODW-UHFFFAOYSA-N 0 0 407.224 2.841 40 5 HFBBRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113886203 569393289 /nfs/dbraw/zinc/39/32/89/569393289.db2.gz DDQCIMNRUXWXMV-UHFFFAOYSA-N 0 0 402.787 2.756 40 5 HFBBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1C ZINC000027837519 569397927 /nfs/dbraw/zinc/39/79/27/569397927.db2.gz FBTORUOSMRQWCA-UHFFFAOYSA-N 0 0 424.460 2.672 40 5 HFBBRN COc1ccccc1[C@@H]1[C@H]2SC(=N)NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016228423 524764091 /nfs/dbraw/zinc/76/40/91/524764091.db2.gz QAFRUPKHGMKQQW-HUUCEWRRSA-N 0 0 414.403 2.817 40 5 HFBBRN Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000032115136 525600496 /nfs/dbraw/zinc/60/04/96/525600496.db2.gz MEPQDKWITNMKMI-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000006280033 557697841 /nfs/dbraw/zinc/69/78/41/557697841.db2.gz GKWVTOOCMFTAIQ-UHFFFAOYSA-N 0 0 421.475 2.855 40 5 HFBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000205788600 559054446 /nfs/dbraw/zinc/05/44/46/559054446.db2.gz UAKKPKYOWASHHP-XNTDXEJSSA-N 0 0 405.432 2.652 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000220393345 559068893 /nfs/dbraw/zinc/06/88/93/559068893.db2.gz PKSNQRGCCDOVBZ-INIZCTEOSA-N 0 0 419.503 2.807 40 5 HFBBRN Cc1c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220412001 559076757 /nfs/dbraw/zinc/07/67/57/559076757.db2.gz IVOHEKHJPYVPCQ-LBPRGKRZSA-N 0 0 422.419 2.605 40 5 HFBBRN Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220417242 559076848 /nfs/dbraw/zinc/07/68/48/559076848.db2.gz SNYGCNKELYYOOU-MRXNPFEDSA-N 0 0 419.503 2.807 40 5 HFBBRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408552770 559218128 /nfs/dbraw/zinc/21/81/28/559218128.db2.gz NQOKQVABGQPKNS-CYBMUJFWSA-N 0 0 421.475 2.998 40 5 HFBBRN O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408553271 559218180 /nfs/dbraw/zinc/21/81/80/559218180.db2.gz PQBUPUFGMUUEBF-UHFFFAOYSA-N 0 0 411.201 2.595 40 5 HFBBRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408668824 559223731 /nfs/dbraw/zinc/22/37/31/559223731.db2.gz VQDCDSRPMOXRLV-OAHLLOKOSA-N 0 0 411.414 2.692 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(Cl)c1 ZINC000408672781 559223939 /nfs/dbraw/zinc/22/39/39/559223939.db2.gz ZZCNTDYYRPSREV-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408688072 559224657 /nfs/dbraw/zinc/22/46/57/559224657.db2.gz VQIAOVJPKMTXNU-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000033850027 559253422 /nfs/dbraw/zinc/25/34/22/559253422.db2.gz CKRWUIUJFBSMBV-GOSISDBHSA-N 0 0 404.419 2.582 40 5 HFBBRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033850028 559253424 /nfs/dbraw/zinc/25/34/24/559253424.db2.gz CKRWUIUJFBSMBV-SFHVURJKSA-N 0 0 404.419 2.582 40 5 HFBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O ZINC000409018716 560666114 /nfs/dbraw/zinc/66/61/14/560666114.db2.gz YOXOAEBRNULIQX-CULDGANSSA-N 0 0 410.404 2.600 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000409148339 560683748 /nfs/dbraw/zinc/68/37/48/560683748.db2.gz YQEBGZORBISXCK-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O ZINC000104117997 560848237 /nfs/dbraw/zinc/84/82/37/560848237.db2.gz QWNBLHFUXGLTON-AFYVEPGGSA-N 0 0 419.437 2.738 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220030318 568501365 /nfs/dbraw/zinc/50/13/65/568501365.db2.gz WPXZWJDVIDWVAV-UHFFFAOYSA-N 0 0 422.419 2.525 40 5 HFBBRN 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O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000030953376 568683735 /nfs/dbraw/zinc/68/37/35/568683735.db2.gz WVIAEKFAEXRBQT-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(NC(=S)Nc1cccnc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000021595898 568722432 /nfs/dbraw/zinc/72/24/32/568722432.db2.gz YOKLMCWBBOKSGH-UHFFFAOYSA-N 0 0 421.866 2.607 40 5 HFBBRN COc1cccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015079590 568749891 /nfs/dbraw/zinc/74/98/91/568749891.db2.gz JDSUYFNWNQKINF-UHFFFAOYSA-N 0 0 400.420 2.618 40 5 HFBBRN Cc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222361021 568751154 /nfs/dbraw/zinc/75/11/54/568751154.db2.gz FIHWPBZBHDYJPG-UHFFFAOYSA-N 0 0 405.476 2.766 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222365591 568751265 /nfs/dbraw/zinc/75/12/65/568751265.db2.gz SMMCIWMRSKORBJ-UHFFFAOYSA-N 0 0 403.460 2.730 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022258647 568765899 /nfs/dbraw/zinc/76/58/99/568765899.db2.gz QTNQDEIYIQSYTM-OAHLLOKOSA-N 0 0 403.460 2.943 40 5 HFBBRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000022348272 568766591 /nfs/dbraw/zinc/76/65/91/568766591.db2.gz XZJCGYIVNIPIPL-GOSISDBHSA-N 0 0 403.460 2.555 40 5 HFBBRN CCOc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000022393048 568767025 /nfs/dbraw/zinc/76/70/25/568767025.db2.gz WVZPESDZZGGIDO-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222684654 568767926 /nfs/dbraw/zinc/76/79/26/568767926.db2.gz GHWVDEJGNCVBFN-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000222764951 568771203 /nfs/dbraw/zinc/77/12/03/568771203.db2.gz IZNGBKSGWOWXBO-UHFFFAOYSA-N 0 0 413.455 2.830 40 5 HFBBRN Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000225648167 568777830 /nfs/dbraw/zinc/77/78/30/568777830.db2.gz 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2.867 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O ZINC000408642155 559223134 /nfs/dbraw/zinc/22/31/34/559223134.db2.gz DPJKRLNLBRBWLN-ZDUSSCGKSA-N 0 0 416.361 2.522 40 5 HFBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1C ZINC000408656953 559223822 /nfs/dbraw/zinc/22/38/22/559223822.db2.gz SZDFCLSGPCCARM-UHFFFAOYSA-N 0 0 423.425 2.991 40 5 HFBBRN CN(c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O ZINC000409138914 559241697 /nfs/dbraw/zinc/24/16/97/559241697.db2.gz JTGQACBNPHYAFQ-UHFFFAOYSA-N 0 0 409.489 2.863 40 5 HFBBRN CCOC(=O)c1ccc(-n2[nH]c(N)c(Sc3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000100998438 560765742 /nfs/dbraw/zinc/76/57/42/560765742.db2.gz HEHABBDFCRJDDA-HNNXBMFYSA-N 0 0 400.416 2.551 40 5 HFBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 ZINC000102681499 560821198 /nfs/dbraw/zinc/82/11/98/560821198.db2.gz PSIPYZBNSNOTQZ-FGTMMUONSA-N 0 0 412.833 2.784 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220452652 568505734 /nfs/dbraw/zinc/50/57/34/568505734.db2.gz XWMGYSITYNZLFO-NSHDSACASA-N 0 0 413.402 2.975 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224907790 568603351 /nfs/dbraw/zinc/60/33/51/568603351.db2.gz VTBAPRDVNGTQFM-UHFFFAOYSA-N 0 0 418.475 2.600 40 5 HFBBRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410889 568605043 /nfs/dbraw/zinc/60/50/43/568605043.db2.gz KAMJDVKHTBQLAB-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000893025 568740703 /nfs/dbraw/zinc/74/07/03/568740703.db2.gz HAASQONPYUCGRY-UHFFFAOYSA-N 0 0 403.822 2.612 40 5 HFBBRN O=C1CCCN1C[C@@H]1CC[C@]2(COCCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127714 568900499 /nfs/dbraw/zinc/90/04/99/568900499.db2.gz GFLHNVRLLUGWJJ-YWZLYKJASA-N 0 0 423.897 2.621 40 5 HFBBRN Cc1c(C(=O)N2C[C@@]3(F)C(=O)N(Cc4ccccc4)C[C@@]3(F)C2)cccc1[N+](=O)[O-] ZINC000306129664 568900516 /nfs/dbraw/zinc/90/05/16/568900516.db2.gz IJEFERXPHAPYIO-NHCUHLMSSA-N 0 0 415.396 2.818 40 5 HFBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004144326 568946148 /nfs/dbraw/zinc/94/61/48/568946148.db2.gz DXBNEPDFCBIQJD-GRDNDAEWSA-N 0 0 409.320 2.699 40 5 HFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000016320826 569031373 /nfs/dbraw/zinc/03/13/73/569031373.db2.gz BSGWCZCYMWWEEX-UHFFFAOYSA-N 0 0 403.376 2.588 40 5 HFBBRN O=C(OCCOCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000035586046 569046114 /nfs/dbraw/zinc/04/61/14/569046114.db2.gz QWIMSYSYKYCFCR-UHFFFAOYSA-N 0 0 404.331 2.533 40 5 HFBBRN Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000138802281 569191961 /nfs/dbraw/zinc/19/19/61/569191961.db2.gz VJCOCSMPSQYWMV-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(NC(=S)Nc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017082828 569273021 /nfs/dbraw/zinc/27/30/21/569273021.db2.gz IVTWDOAEXPNLCZ-UHFFFAOYSA-N 0 0 404.423 2.697 40 5 HFBBRN COc1c(F)c(F)c(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC000017091368 569274476 /nfs/dbraw/zinc/27/44/76/569274476.db2.gz GZJXSLAMUPVFTJ-UHFFFAOYSA-N 0 0 418.328 2.791 40 5 HFBBRN CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774784 569289073 /nfs/dbraw/zinc/28/90/73/569289073.db2.gz AGZBNYLHELPJKB-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CC(C)CCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000006306686 569330551 /nfs/dbraw/zinc/33/05/51/569330551.db2.gz LNJZWUFKDGQNPT-UHFFFAOYSA-N 0 0 405.476 2.952 40 5 HFBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000006478248 569332911 /nfs/dbraw/zinc/33/29/11/569332911.db2.gz OWVGAUVCZBKWDW-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000007940225 569338837 /nfs/dbraw/zinc/33/88/37/569338837.db2.gz RJDXMSVUHAGGAG-AWEZNQCLSA-N 0 0 403.435 2.566 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000008038722 569339090 /nfs/dbraw/zinc/33/90/90/569339090.db2.gz AYSFSQKKQBRSPO-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000008416724 569340664 /nfs/dbraw/zinc/34/06/64/569340664.db2.gz HEHLAFYGRONTJU-UHFFFAOYSA-N 0 0 415.402 2.812 40 5 HFBBRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000008433893 569341013 /nfs/dbraw/zinc/34/10/13/569341013.db2.gz MYPVOFSNPYALLU-HNNXBMFYSA-N 0 0 411.414 2.692 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113885125 569393389 /nfs/dbraw/zinc/39/33/89/569393389.db2.gz OSDROELZXTYYFD-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN O=C(Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000010338750 569395670 /nfs/dbraw/zinc/39/56/70/569395670.db2.gz UVGVAQMTHKBFRI-UHFFFAOYSA-N 0 0 401.378 2.944 40 5 HFBBRN CCc1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3[N+](=O)[O-])CC2)cc1 ZINC000070461906 569410481 /nfs/dbraw/zinc/41/04/81/569410481.db2.gz CMRABOCBCJLVPF-UHFFFAOYSA-N 0 0 406.446 2.700 40 5 HFBBRN CSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n1 ZINC000040398889 526205382 /nfs/dbraw/zinc/20/53/82/526205382.db2.gz LESAWXRUDGWWCS-UHFFFAOYSA-N 0 0 416.466 2.838 40 5 HFBBRN COc1ccc(-c2nnc(CN(C)C(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000408714495 557753874 /nfs/dbraw/zinc/75/38/74/557753874.db2.gz SACSYNUYEGHZGF-UHFFFAOYSA-N 0 0 412.402 2.863 40 5 HFBBRN Cc1c(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220035519 558945421 /nfs/dbraw/zinc/94/54/21/558945421.db2.gz WCLMDZNBGGVXDH-QGZVFWFLSA-N 0 0 417.487 2.863 40 5 HFBBRN COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220336439 559062202 /nfs/dbraw/zinc/06/22/02/559062202.db2.gz DFUWZBBOCZVIJN-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408588939 559219998 /nfs/dbraw/zinc/21/99/98/559219998.db2.gz DFBFHIWJUSFRQK-ZDUSSCGKSA-N 0 0 407.448 2.607 40 5 HFBBRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408612738 559221578 /nfs/dbraw/zinc/22/15/78/559221578.db2.gz YOGQCIMXFANOEV-UHFFFAOYSA-N 0 0 421.475 2.951 40 5 HFBBRN COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408662278 559223598 /nfs/dbraw/zinc/22/35/98/559223598.db2.gz XPFQOSSDTODSQW-OAHLLOKOSA-N 0 0 412.398 2.691 40 5 HFBBRN CC(C)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005294199 560562035 /nfs/dbraw/zinc/56/20/35/560562035.db2.gz ZKDDEGCQUZDFBD-OAHLLOKOSA-N 0 0 408.455 2.589 40 5 HFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC000409177951 560687494 /nfs/dbraw/zinc/68/74/94/560687494.db2.gz HQWJJKXCAGFZSY-UHFFFAOYSA-N 0 0 402.315 2.776 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C)cc1 ZINC000013632967 560825745 /nfs/dbraw/zinc/82/57/45/560825745.db2.gz PNTBTKZCYNOBSJ-AWEZNQCLSA-N 0 0 420.447 2.711 40 5 HFBBRN NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106745181 560893705 /nfs/dbraw/zinc/89/37/05/560893705.db2.gz DOVRDPVAQREOJX-SXGWCWSVSA-N 0 0 413.411 2.695 40 5 HFBBRN Cc1ccccc1CNC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220383774 568505333 /nfs/dbraw/zinc/50/53/33/568505333.db2.gz OPRKKAHEQSGZMJ-HNNXBMFYSA-N 0 0 405.476 2.683 40 5 HFBBRN COc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000020035914 568586181 /nfs/dbraw/zinc/58/61/81/568586181.db2.gz NEPWCIGWGVCHGI-CQSZACIVSA-N 0 0 421.475 2.555 40 5 HFBBRN COc1cc(C(=O)Nc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000020496226 568613737 /nfs/dbraw/zinc/61/37/37/568613737.db2.gz YKSMYOSCGWMNKD-UHFFFAOYSA-N 0 0 400.347 2.923 40 5 HFBBRN Nc1nc(N2CCOCC2)nc2nc3c(c(-c4cccc([N+](=O)[O-])c4)c12)C(=O)CCC3 ZINC000020673555 568639450 /nfs/dbraw/zinc/63/94/50/568639450.db2.gz ZXTLHORMXYXSKR-UHFFFAOYSA-N 0 0 420.429 2.538 40 5 HFBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NC1CCCCC1 ZINC000000887633 568736797 /nfs/dbraw/zinc/73/67/97/568736797.db2.gz VUISJPOFPZLSHM-UHFFFAOYSA-N 0 0 405.480 2.843 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000222361479 568751138 /nfs/dbraw/zinc/75/11/38/568751138.db2.gz KNTBAQVVTLBLTF-UHFFFAOYSA-N 0 0 421.431 2.508 40 5 HFBBRN CC[C@H](C(=O)NCc1ccccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518165 568761281 /nfs/dbraw/zinc/76/12/81/568761281.db2.gz UIWRXFHAKKTHGU-GOSISDBHSA-N 0 0 405.476 2.764 40 5 HFBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522053 568761758 /nfs/dbraw/zinc/76/17/58/568761758.db2.gz HMWISUWTQUAQPG-INIZCTEOSA-N 0 0 422.419 2.686 40 5 HFBBRN CC[C@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527070 568761771 /nfs/dbraw/zinc/76/17/71/568761771.db2.gz BYZSIPOEMPXNKK-LJQANCHMSA-N 0 0 419.503 2.888 40 5 HFBBRN Cn1c(=O)/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)s/c1=C/C(=O)C(C)(C)C ZINC000096924524 568765308 /nfs/dbraw/zinc/76/53/08/568765308.db2.gz PRIQCJDMVOMASG-UCXDMDGBSA-N 0 0 412.467 2.840 40 5 HFBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022348308 568766626 /nfs/dbraw/zinc/76/66/26/568766626.db2.gz CSNGUMDSCXWUTL-SFHVURJKSA-N 0 0 421.475 2.637 40 5 HFBBRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990188 568784519 /nfs/dbraw/zinc/78/45/19/568784519.db2.gz KMSXUDOTWLUTGO-UHFFFAOYSA-N 0 0 403.460 2.824 40 5 HFBBRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000223581568 569030591 /nfs/dbraw/zinc/03/05/91/569030591.db2.gz CTGYWBOCUYGJAM-UHFFFAOYSA-N 0 0 418.431 2.864 40 5 HFBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000006200725 569031774 /nfs/dbraw/zinc/03/17/74/569031774.db2.gz MNABDZGTYBKSKM-UHFFFAOYSA-N 0 0 403.460 2.943 40 5 HFBBRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000224001167 569033008 /nfs/dbraw/zinc/03/30/08/569033008.db2.gz PWDRUXOSFKVFLY-UHFFFAOYSA-N 0 0 421.475 2.733 40 5 HFBBRN COCCNC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624632 569061187 /nfs/dbraw/zinc/06/11/87/569061187.db2.gz GAIMSXWOUWAKHC-UHFFFAOYSA-N 0 0 401.422 2.733 40 5 biogenic HFBBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] ZINC000006846514 569151294 /nfs/dbraw/zinc/15/12/94/569151294.db2.gz KFFGAUUUFYJBGJ-UHFFFAOYSA-N 0 0 404.473 2.679 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756076 569287425 /nfs/dbraw/zinc/28/74/25/569287425.db2.gz WJEUEYSMWSPDFG-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224865296 569293345 /nfs/dbraw/zinc/29/33/45/569293345.db2.gz KBDILAQXXFQRJT-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CCc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224979012 569313324 /nfs/dbraw/zinc/31/33/24/569313324.db2.gz XWUSHICKGAEBKO-AWEZNQCLSA-N 0 0 405.476 2.801 40 5 HFBBRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000007232519 569336965 /nfs/dbraw/zinc/33/69/65/569336965.db2.gz OOEANLOYLASTTJ-GOEBONIOSA-N 0 0 411.414 2.686 40 5 HFBBRN CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000007881408 569338122 /nfs/dbraw/zinc/33/81/22/569338122.db2.gz GAKFNCUFDQGUIW-HNNXBMFYSA-N 0 0 412.398 2.773 40 5 HFBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1 ZINC000007881761 569338143 /nfs/dbraw/zinc/33/81/43/569338143.db2.gz IZFDBMDFNMEKJF-UHFFFAOYSA-N 0 0 409.398 2.682 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccccc2)CC1=O ZINC000007881649 569338161 /nfs/dbraw/zinc/33/81/61/569338161.db2.gz BBSJUWBSYZBNQA-ZFWWWQNUSA-N 0 0 412.398 2.771 40 5 HFBBRN Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000008433867 569341037 /nfs/dbraw/zinc/34/10/37/569341037.db2.gz KSSOZZLDFQBCBZ-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008434676 569341101 /nfs/dbraw/zinc/34/11/01/569341101.db2.gz ZORSOACYAWURBX-UHFFFAOYSA-N 0 0 404.176 2.592 40 5 HFBBRN Cc1ccc(CCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010110558 569342829 /nfs/dbraw/zinc/34/28/29/569342829.db2.gz KGIAEBPKMBGZSD-UHFFFAOYSA-N 0 0 419.503 2.727 40 5 HFBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000030953374 569350398 /nfs/dbraw/zinc/35/03/98/569350398.db2.gz WVIAEKFAEXRBQT-LBPRGKRZSA-N 0 0 417.805 2.783 40 5 HFBBRN C[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225264862 569381066 /nfs/dbraw/zinc/38/10/66/569381066.db2.gz ZUVNSCNGIISKPO-OAHLLOKOSA-N 0 0 419.503 2.887 40 5 HFBBRN O=C([O-])[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH2+]Cc1ccco1 ZINC000065090341 569391157 /nfs/dbraw/zinc/39/11/57/569391157.db2.gz OIWUAYBKSRSULD-AWEZNQCLSA-N 0 0 416.415 2.883 40 5 HFBBRN COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000115132238 569396739 /nfs/dbraw/zinc/39/67/39/569396739.db2.gz NZABJZJYRICDSW-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN CCNc1nnc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3c(N)scc32)s1 ZINC000018996140 569414095 /nfs/dbraw/zinc/41/40/95/569414095.db2.gz WCUIHBINGPTNCH-UHFFFAOYSA-N 0 0 415.460 2.888 40 5 HFBBRN CCS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520888 558963955 /nfs/dbraw/zinc/96/39/55/558963955.db2.gz WOEAICCVSBURES-SECBINFHSA-N 0 0 417.075 2.507 40 5 HFBBRN COc1cccc(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)c1 ZINC000038829102 558816092 /nfs/dbraw/zinc/81/60/92/558816092.db2.gz FGTNYRZKRHRBQQ-KRWDZBQOSA-N 0 0 403.438 2.888 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220387986 559068454 /nfs/dbraw/zinc/06/84/54/559068454.db2.gz ZICIXVVBFPVZJM-LBPRGKRZSA-N 0 0 422.419 2.605 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O ZINC000220392598 559068870 /nfs/dbraw/zinc/06/88/70/559068870.db2.gz ACGSREKVZBYSPW-AWEZNQCLSA-N 0 0 403.460 2.647 40 5 HFBBRN C[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220411055 559076773 /nfs/dbraw/zinc/07/67/73/559076773.db2.gz XDMQTDLQYZNVRE-GFCCVEGCSA-N 0 0 411.867 2.719 40 5 HFBBRN O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(O)=C12)c1ccc2ccccc2c1 ZINC000100355293 559196526 /nfs/dbraw/zinc/19/65/26/559196526.db2.gz RXODAPJODQJMQG-YLJYHZDGSA-N 0 0 415.361 2.875 40 5 HFBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408529489 559215006 /nfs/dbraw/zinc/21/50/06/559215006.db2.gz IADASGRTIIPNSS-UHFFFAOYSA-N 0 0 421.475 2.999 40 5 HFBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000408555499 559218126 /nfs/dbraw/zinc/21/81/26/559218126.db2.gz XGLFGJSBKBPABV-ZDUSSCGKSA-N 0 0 407.448 2.526 40 5 HFBBRN Cc1c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408592678 559220198 /nfs/dbraw/zinc/22/01/98/559220198.db2.gz NYFZJMRHOAIXKP-AWEZNQCLSA-N 0 0 421.475 2.996 40 5 HFBBRN CC(C)Oc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000408610496 559221276 /nfs/dbraw/zinc/22/12/76/559221276.db2.gz RKOPTERNPOGMJO-UHFFFAOYSA-N 0 0 407.448 2.787 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O ZINC000408614852 559221540 /nfs/dbraw/zinc/22/15/40/559221540.db2.gz IWAPZYVRNFFWJS-UHFFFAOYSA-N 0 0 413.496 2.599 40 5 HFBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1cccc([N+](=O)[O-])c1)N=2 ZINC000408731590 559225552 /nfs/dbraw/zinc/22/55/52/559225552.db2.gz LZQVOQAJZLHMDM-MJSCBBHESA-N 0 0 415.471 2.567 40 5 HFBBRN O=C(Cn1ccsc1=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000409205262 559244748 /nfs/dbraw/zinc/24/47/48/559244748.db2.gz AYLPRKVTAZMXOY-HNENSFHCSA-N 0 0 412.383 2.990 40 5 HFBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000102681500 560821194 /nfs/dbraw/zinc/82/11/94/560821194.db2.gz PSIPYZBNSNOTQZ-KZNAEPCWSA-N 0 0 412.833 2.784 40 5 HFBBRN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000014086033 560837878 /nfs/dbraw/zinc/83/78/78/560837878.db2.gz JXMNEBWNEWMBLJ-ZOPJHEKZSA-N 0 0 406.435 2.868 40 5 HFBBRN COC(=O)C(=C/c1nc2ccc([N+](=O)[O-])cc2s1)/C(C(=O)OC)=C1\CCCN1C ZINC000104265505 560850113 /nfs/dbraw/zinc/85/01/13/560850113.db2.gz COICVVAABJJKEZ-CZGIYDROSA-N 0 0 417.443 2.914 40 5 HFBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000111435073 568431484 /nfs/dbraw/zinc/43/14/84/568431484.db2.gz LPAJKVXYMXMCMB-VGOFMYFVSA-N 0 0 401.350 2.844 40 5 HFBBRN CCOc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220024148 568501299 /nfs/dbraw/zinc/50/12/99/568501299.db2.gz GAZSBBMCPIZCTG-UHFFFAOYSA-N 0 0 407.448 2.707 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O ZINC000020041026 568586684 /nfs/dbraw/zinc/58/66/84/568586684.db2.gz AEIRXEGQQLBOFC-AWEZNQCLSA-N 0 0 421.475 2.555 40 5 HFBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000020106229 568587696 /nfs/dbraw/zinc/58/76/96/568587696.db2.gz DIGUKCQFLKOAMK-HNNXBMFYSA-N 0 0 405.476 2.855 40 5 HFBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000020106227 568587910 /nfs/dbraw/zinc/58/79/10/568587910.db2.gz DIGUKCQFLKOAMK-OAHLLOKOSA-N 0 0 405.476 2.855 40 5 HFBBRN CC[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527001 568761654 /nfs/dbraw/zinc/76/16/54/568761654.db2.gz BYZSIPOEMPXNKK-IBGZPJMESA-N 0 0 419.503 2.888 40 5 HFBBRN CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222523316 568761703 /nfs/dbraw/zinc/76/17/03/568761703.db2.gz FSCCVPXYIOVMGQ-GOSISDBHSA-N 0 0 419.459 2.981 40 5 HFBBRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222593526 568764848 /nfs/dbraw/zinc/76/48/48/568764848.db2.gz ZNNJNJLWFGYHNA-UONOGXRCSA-N 0 0 421.475 2.635 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000222686182 568768082 /nfs/dbraw/zinc/76/80/82/568768082.db2.gz PHWGBIZXZTUANY-UHFFFAOYSA-N 0 0 417.487 2.726 40 5 HFBBRN CC(=O)[C@H](C[C@](C(C)=O)(C(=O)OC(C)C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000227144389 568827966 /nfs/dbraw/zinc/82/79/66/568827966.db2.gz IWLSTPVDTVMQDS-GHTZIAJQSA-N 0 0 421.446 2.920 40 5 HFBBRN O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(O)=C12)c1ccc2ccccc2c1 ZINC000003848919 568927455 /nfs/dbraw/zinc/92/74/55/568927455.db2.gz RXODAPJODQJMQG-XLIONFOSSA-N 0 0 415.361 2.875 40 5 HFBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223541389 569027441 /nfs/dbraw/zinc/02/74/41/569027441.db2.gz LFFNTIGUXRXWNJ-HNNXBMFYSA-N 0 0 415.446 2.536 40 5 HFBBRN Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000016249514 569030268 /nfs/dbraw/zinc/03/02/68/569030268.db2.gz KEPSQHMPUAVBLO-UHFFFAOYSA-N 0 0 414.447 2.852 40 5 HFBBRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223795973 569031730 /nfs/dbraw/zinc/03/17/30/569031730.db2.gz YOBQQXJSHKQNRK-KRWDZBQOSA-N 0 0 407.448 2.787 40 5 HFBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169687364 569133073 /nfs/dbraw/zinc/13/30/73/569133073.db2.gz DXBNEPDFCBIQJD-ZQIUZPCESA-N 0 0 409.320 2.699 40 5 HFBBRN Cc1cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)ccc1[N+](=O)[O-] ZINC000006826112 569139595 /nfs/dbraw/zinc/13/95/95/569139595.db2.gz PZZIHESNGXBJPS-UHFFFAOYSA-N 0 0 404.473 2.679 40 5 HFBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224653012 569280044 /nfs/dbraw/zinc/28/00/44/569280044.db2.gz QHOKVGAOJKROGA-UHFFFAOYSA-N 0 0 408.432 2.589 40 5 HFBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224963392 569312213 /nfs/dbraw/zinc/31/22/13/569312213.db2.gz HVKNCILKTBEMRQ-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009439 569322144 /nfs/dbraw/zinc/32/21/44/569322144.db2.gz XBIACJXEWUMRFC-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225015470 569323465 /nfs/dbraw/zinc/32/34/65/569323465.db2.gz GLFWSQBVOJVHLP-UHFFFAOYSA-N 0 0 424.431 2.614 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032433 569323821 /nfs/dbraw/zinc/32/38/21/569323821.db2.gz RKCJFILGHLLWNA-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000006495688 569333036 /nfs/dbraw/zinc/33/30/36/569333036.db2.gz NMSXDYNSFLDUST-UHFFFAOYSA-N 0 0 415.471 2.939 40 5 HFBBRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000008037425 569338963 /nfs/dbraw/zinc/33/89/63/569338963.db2.gz GDELSFLQZGSVIT-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c(C)c1 ZINC000008039068 569339052 /nfs/dbraw/zinc/33/90/52/569339052.db2.gz XGGUMOBCTAOYKM-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000008038707 569339073 /nfs/dbraw/zinc/33/90/73/569339073.db2.gz FRWSJJSMDBSTOK-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008412159 569340335 /nfs/dbraw/zinc/34/03/35/569340335.db2.gz PEELFAUPIWXSBC-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000008433894 569340995 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HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220306059 559035331 /nfs/dbraw/zinc/03/53/31/559035331.db2.gz WZJIXPQELFUJLU-LLVKDONJSA-N 0 0 411.411 2.536 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000220377904 559065905 /nfs/dbraw/zinc/06/59/05/559065905.db2.gz KYRQYBQWYLORNL-LSDHHAIUSA-N 0 0 405.476 2.935 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000220384323 559068336 /nfs/dbraw/zinc/06/83/36/559068336.db2.gz KYRQYBQWYLORNL-CABCVRRESA-N 0 0 405.476 2.935 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000220382891 559068342 /nfs/dbraw/zinc/06/83/42/559068342.db2.gz MGTUCDJIPIVZOO-HNNXBMFYSA-N 0 0 417.487 2.643 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000220395072 559068875 /nfs/dbraw/zinc/06/88/75/559068875.db2.gz VSLZVLCSHZGEDB-CYBMUJFWSA-N 0 0 409.439 2.513 40 5 HFBBRN 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COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016188386 569029714 /nfs/dbraw/zinc/02/97/14/569029714.db2.gz SLUFQOOMQAUXMH-UHFFFAOYSA-N 0 0 413.839 2.516 40 5 HFBBRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000223590770 569030570 /nfs/dbraw/zinc/03/05/70/569030570.db2.gz FKEOXPBFIGLSSC-UHFFFAOYSA-N 0 0 418.431 2.864 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O ZINC000223881401 569032108 /nfs/dbraw/zinc/03/21/08/569032108.db2.gz SHRMDQHBGMEBST-UHFFFAOYSA-N 0 0 415.512 2.700 40 5 HFBBRN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000006642096 569077461 /nfs/dbraw/zinc/07/74/61/569077461.db2.gz JXMNEBWNEWMBLJ-ZFRZLUBXSA-N 0 0 406.435 2.868 40 5 HFBBRN CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225021925 569323750 /nfs/dbraw/zinc/32/37/50/569323750.db2.gz SJFNOAIOAUNQRV-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007077807 569336781 /nfs/dbraw/zinc/33/67/81/569336781.db2.gz VRWMZDPXBNDTAM-AWEZNQCLSA-N 0 0 421.475 2.998 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1 ZINC000007939890 569338701 /nfs/dbraw/zinc/33/87/01/569338701.db2.gz GDHJKRFOTFDMFR-UHFFFAOYSA-N 0 0 421.450 2.704 40 5 HFBBRN CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008416481 569340660 /nfs/dbraw/zinc/34/06/60/569340660.db2.gz HGNWRZVJWAFUEQ-UHFFFAOYSA-N 0 0 413.386 2.698 40 5 HFBBRN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000008433866 569340930 /nfs/dbraw/zinc/34/09/30/569340930.db2.gz KSSOZZLDFQBCBZ-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000010331692 569343845 /nfs/dbraw/zinc/34/38/45/569343845.db2.gz YTQHSFIRQXBDHT-UHFFFAOYSA-N 0 0 422.419 2.525 40 5 HFBBRN O=C([O-])[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH2+]Cc1ccco1 ZINC000065090343 569391122 /nfs/dbraw/zinc/39/11/22/569391122.db2.gz OIWUAYBKSRSULD-CQSZACIVSA-N 0 0 416.415 2.883 40 5 HFBBRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113885824 569393358 /nfs/dbraw/zinc/39/33/58/569393358.db2.gz FLXXDEBTFOOQNI-UHFFFAOYSA-N 0 0 402.787 2.756 40 5 HFBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000012474954 569401627 /nfs/dbraw/zinc/40/16/27/569401627.db2.gz MRWVHAXRPLFMAX-UHFFFAOYSA-N 0 0 400.372 2.860 40 5 HFBBRN COCCCN1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)n2c3ccccc3nc21 ZINC000039963987 571135155 /nfs/dbraw/zinc/13/51/55/571135155.db2.gz DICATJKDCJJENX-SFHVURJKSA-N 0 0 423.429 2.898 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000328983272 571305858 /nfs/dbraw/zinc/30/58/58/571305858.db2.gz HFQCIASABVTSMH-LJQANCHMSA-N 0 0 408.462 3.488 40 5 HFBBRN 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DXFWVHKOBDGFAN-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000408620578 559221759 /nfs/dbraw/zinc/22/17/59/559221759.db2.gz HLCUXGKXTRJTQX-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])o1 ZINC000408632841 559222580 /nfs/dbraw/zinc/22/25/80/559222580.db2.gz UDBSSASHHCOBTB-RVDMUPIBSA-N 0 0 419.463 2.510 40 5 HFBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000005205820 560737121 /nfs/dbraw/zinc/73/71/21/560737121.db2.gz KREBHMBKRJRBFK-UHFFFAOYSA-N 0 0 403.460 2.849 40 5 HFBBRN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015534348 560855851 /nfs/dbraw/zinc/85/58/51/560855851.db2.gz GNWKHTSXRZVGOC-UHFFFAOYSA-N 0 0 403.822 2.982 40 5 HFBBRN Cc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1 ZINC000019234377 560872260 /nfs/dbraw/zinc/87/22/60/560872260.db2.gz OELHHNUKKORPEZ-INIZCTEOSA-N 0 0 421.501 2.814 40 5 HFBBRN Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020244857 568595611 /nfs/dbraw/zinc/59/56/11/568595611.db2.gz MKDJAQZVPLLPBT-UHFFFAOYSA-N 0 0 420.491 2.772 40 5 HFBBRN Cc1[nH]nc(SCC(=O)NC2=C(C)N(Cc3ccccc3C)N[C@@H]2C)c1[N+](=O)[O-] ZINC000020418466 568606523 /nfs/dbraw/zinc/60/65/23/568606523.db2.gz FZEILRPCUILUFX-GFCCVEGCSA-N 0 0 416.507 2.783 40 5 HFBBRN Cc1ccccc1CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222360952 568751128 /nfs/dbraw/zinc/75/11/28/568751128.db2.gz NDPMPVZQTVQOAV-UHFFFAOYSA-N 0 0 405.476 2.766 40 5 HFBBRN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514963 568761293 /nfs/dbraw/zinc/76/12/93/568761293.db2.gz VFLLOTYYJVFQNF-KRWDZBQOSA-N 0 0 407.448 2.787 40 5 HFBBRN CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520959 568761680 /nfs/dbraw/zinc/76/16/80/568761680.db2.gz WXODCIUQZDAOEB-HNNXBMFYSA-N 0 0 417.553 2.787 40 5 HFBBRN CC(=O)[C@H](C[C@@](C(C)=O)(C(=O)OC(C)C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000227144380 568828000 /nfs/dbraw/zinc/82/80/00/568828000.db2.gz IWLSTPVDTVMQDS-RXVVDRJESA-N 0 0 421.446 2.920 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000218264496 568837106 /nfs/dbraw/zinc/83/71/06/568837106.db2.gz LDOTWWDWLONJJH-UHFFFAOYSA-N 0 0 401.803 2.792 40 5 HFBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222959517 568877708 /nfs/dbraw/zinc/87/77/08/568877708.db2.gz ODNUIIMCUSYHDT-QGZVFWFLSA-N 0 0 415.446 2.536 40 5 HFBBRN Cc1ncc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccccc1Br ZINC000016363367 569032250 /nfs/dbraw/zinc/03/22/50/569032250.db2.gz FYGMEDBYSIBBSR-UHFFFAOYSA-N 0 0 413.253 2.594 40 5 HFBBRN Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006444347 569052667 /nfs/dbraw/zinc/05/26/67/569052667.db2.gz XWBOLKQSIWHVDU-UHFFFAOYSA-N 0 0 423.458 2.852 40 5 HFBBRN CCOC(=O)C(C(=O)Nc1ccccc1)=C(N)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000016681967 569070241 /nfs/dbraw/zinc/07/02/41/569070241.db2.gz QBEVESJEZQHQDZ-FOCLMDBBSA-N 0 0 419.825 2.537 40 5 HFBBRN O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017092957 569273629 /nfs/dbraw/zinc/27/36/29/569273629.db2.gz HNQDEDPYFGXYKJ-UHFFFAOYSA-N 0 0 422.413 2.836 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000007872064 569314896 /nfs/dbraw/zinc/31/48/96/569314896.db2.gz YQFUVQPLSNHYLS-LLVKDONJSA-N 0 0 411.411 2.536 40 5 HFBBRN CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225037890 569323535 /nfs/dbraw/zinc/32/35/35/569323535.db2.gz VEHARESLEVQQAQ-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000006778453 569334699 /nfs/dbraw/zinc/33/46/99/569334699.db2.gz CDZHZQRAKLOQKM-UHFFFAOYSA-N 0 0 421.475 2.999 40 5 HFBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1 ZINC000007881744 569338148 /nfs/dbraw/zinc/33/81/48/569338148.db2.gz LUGGQCTXBWNAGK-CQSZACIVSA-N 0 0 409.398 2.681 40 5 HFBBRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000008036460 569338890 /nfs/dbraw/zinc/33/88/90/569338890.db2.gz UAYUEJSPGLXBQC-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC000008038807 569339055 /nfs/dbraw/zinc/33/90/55/569339055.db2.gz JXEIJEGGBMXGPS-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008433885 569341017 /nfs/dbraw/zinc/34/10/17/569341017.db2.gz FIDWZCNLUUJZJZ-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O ZINC000010360998 569344145 /nfs/dbraw/zinc/34/41/45/569344145.db2.gz UOXGVFGPTJBWOH-UHFFFAOYSA-N 0 0 423.516 2.578 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C)cc1 ZINC000013632964 569344818 /nfs/dbraw/zinc/34/48/18/569344818.db2.gz PNTBTKZCYNOBSJ-CQSZACIVSA-N 0 0 420.447 2.711 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000010287498 569395527 /nfs/dbraw/zinc/39/55/27/569395527.db2.gz XLKCMEDBRHUCDX-UHFFFAOYSA-N 0 0 423.878 2.703 40 5 HFBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000019169548 569414415 /nfs/dbraw/zinc/41/44/15/569414415.db2.gz PSIPYZBNSNOTQZ-SQNIBIBYSA-N 0 0 412.833 2.784 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329067748 569424961 /nfs/dbraw/zinc/42/49/61/569424961.db2.gz YKSVMQJHUISKJM-LLVKDONJSA-N 0 0 403.336 2.559 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005099738 132301314 /nfs/dbraw/zinc/30/13/14/132301314.db2.gz QNMOXHRDXGFKBN-UHFFFAOYSA-N 0 0 405.432 2.786 40 5 HFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016383987 132463829 /nfs/dbraw/zinc/46/38/29/132463829.db2.gz JNKUABSZJPPEGF-UHFFFAOYSA-N 0 0 420.809 2.884 40 5 HFBBRN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2ccc(C)c([N+](=O)[O-])c2)c1=O ZINC000040397923 521400485 /nfs/dbraw/zinc/40/04/85/521400485.db2.gz LEAPBEJTIXQWBQ-UHFFFAOYSA-N 0 0 407.386 2.735 40 5 HFBBRN COc1ccc(C)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000010336679 557861189 /nfs/dbraw/zinc/86/11/89/557861189.db2.gz KTPKHGLZCNSPRP-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033158651 558893702 /nfs/dbraw/zinc/89/37/02/558893702.db2.gz NROSCZVSDZLACA-OAHLLOKOSA-N 0 0 403.460 2.943 40 5 HFBBRN Cc1c(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220035577 558945387 /nfs/dbraw/zinc/94/53/87/558945387.db2.gz WCLMDZNBGGVXDH-KRWDZBQOSA-N 0 0 417.487 2.863 40 5 HFBBRN COc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220171209 559009618 /nfs/dbraw/zinc/00/96/18/559009618.db2.gz FAOLLDYCUZTMNT-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220380308 559068402 /nfs/dbraw/zinc/06/84/02/559068402.db2.gz JRWNSRPSBMKHOO-CYBMUJFWSA-N 0 0 407.448 2.705 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000220395017 559068918 /nfs/dbraw/zinc/06/89/18/559068918.db2.gz VSLZVLCSHZGEDB-ZDUSSCGKSA-N 0 0 409.439 2.513 40 5 HFBBRN Cc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220417416 559076827 /nfs/dbraw/zinc/07/68/27/559076827.db2.gz LLTOGZHCLKPYRF-MRXNPFEDSA-N 0 0 419.503 2.807 40 5 HFBBRN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220413790 559076831 /nfs/dbraw/zinc/07/68/31/559076831.db2.gz KYSLIEMQBVEPFP-HOTGVXAUSA-N 0 0 419.503 2.887 40 5 HFBBRN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220420219 559078579 /nfs/dbraw/zinc/07/85/79/559078579.db2.gz WKNVPKVTVXLQFL-LIRRHRJNSA-N 0 0 417.487 2.943 40 5 HFBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220646229 559175838 /nfs/dbraw/zinc/17/58/38/559175838.db2.gz PVCAPNSHRCFPCG-QGZVFWFLSA-N 0 0 407.448 2.787 40 5 HFBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000408548040 559217119 /nfs/dbraw/zinc/21/71/19/559217119.db2.gz CHLBRECUGVGDAI-KPKJPENVSA-N 0 0 405.750 2.574 40 5 HFBBRN CCOC(=O)c1sc2ncn(CC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C ZINC000408602078 559220581 /nfs/dbraw/zinc/22/05/81/559220581.db2.gz AHDXAOGXJTVPEM-UHFFFAOYSA-N 0 0 401.400 2.734 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000408611889 559221574 /nfs/dbraw/zinc/22/15/74/559221574.db2.gz XKDAAXITFRSVLB-ZDUSSCGKSA-N 0 0 407.448 2.607 40 5 HFBBRN O=C(CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409212558 560695734 /nfs/dbraw/zinc/69/57/34/560695734.db2.gz NAXAXACRNKDLIP-VGOFMYFVSA-N 0 0 418.768 2.919 40 5 HFBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccccc1 ZINC000100851218 560759946 /nfs/dbraw/zinc/75/99/46/560759946.db2.gz VSDIHQASPCYNQC-KURKYZTESA-N 0 0 412.833 2.784 40 5 HFBBRN COc1ccccc1[C@H]1[C@@H]2SC(=N)NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136774518 560770897 /nfs/dbraw/zinc/77/08/97/560770897.db2.gz QAFRUPKHGMKQQW-GJZGRUSLSA-N 0 0 414.403 2.817 40 5 HFBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccccc1 ZINC000102694541 560819949 /nfs/dbraw/zinc/81/99/49/560819949.db2.gz VSDIHQASPCYNQC-KZNAEPCWSA-N 0 0 412.833 2.784 40 5 HFBBRN CC[C@H](C(=O)Nc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516664 568761329 /nfs/dbraw/zinc/76/13/29/568761329.db2.gz XAHANZVGSHTASC-MRXNPFEDSA-N 0 0 407.448 2.787 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222496034 568761503 /nfs/dbraw/zinc/76/15/03/568761503.db2.gz SBAFOQMIHADFCK-UHFFFAOYSA-N 0 0 413.839 2.905 40 5 HFBBRN Cc1c(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000022438213 568767827 /nfs/dbraw/zinc/76/78/27/568767827.db2.gz NSZXOOZIFYNOIA-UHFFFAOYSA-N 0 0 414.487 2.862 40 5 HFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1F ZINC000225736047 568780133 /nfs/dbraw/zinc/78/01/33/568780133.db2.gz WJRSQTWMXYTSJG-UHFFFAOYSA-N 0 0 415.830 2.788 40 5 HFBBRN COC(=O)CSc1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1 ZINC000223473073 569010039 /nfs/dbraw/zinc/01/00/39/569010039.db2.gz OQPRZWDSMLAWMP-UHFFFAOYSA-N 0 0 414.490 2.583 40 5 HFBBRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000223772556 569031605 /nfs/dbraw/zinc/03/16/05/569031605.db2.gz NLZIOWODXYDOQP-UHFFFAOYSA-N 0 0 418.431 2.783 40 5 HFBBRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000016399701 569041127 /nfs/dbraw/zinc/04/11/27/569041127.db2.gz PMJSUNMFFSQUHS-BQYQJAHWSA-N 0 0 416.484 2.770 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000224058351 569041803 /nfs/dbraw/zinc/04/18/03/569041803.db2.gz SGVIPANZTBVEMN-OAHLLOKOSA-N 0 0 405.476 2.589 40 5 HFBBRN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cccc1[N+](=O)[O-] ZINC000006825176 569139576 /nfs/dbraw/zinc/13/95/76/569139576.db2.gz XLRSJGGGHWAABO-UHFFFAOYSA-N 0 0 404.473 2.679 40 5 HFBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000017015243 569271223 /nfs/dbraw/zinc/27/12/23/569271223.db2.gz YEPHOXHJHDAUQS-SAZGQGMLSA-N 0 0 414.462 2.619 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225035107 569323498 /nfs/dbraw/zinc/32/34/98/569323498.db2.gz GOHBJPRMIGIRFU-UHFFFAOYSA-N 0 0 423.403 2.570 40 5 HFBBRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225074336 569324047 /nfs/dbraw/zinc/32/40/47/569324047.db2.gz GTHXWXYDUWDXFK-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225088599 569325100 /nfs/dbraw/zinc/32/51/00/569325100.db2.gz ZKOZWSDRMRJKGL-UHFFFAOYSA-N 0 0 400.359 2.550 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC000008038801 569339083 /nfs/dbraw/zinc/33/90/83/569339083.db2.gz JXEIJEGGBMXGPS-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008417313 569340737 /nfs/dbraw/zinc/34/07/37/569340737.db2.gz PTYLNHRVKLDERW-UHFFFAOYSA-N 0 0 415.402 2.894 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000008433887 569340979 /nfs/dbraw/zinc/34/09/79/569340979.db2.gz SITKZMIOQMYLCT-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCCC1=O)c1ccc(F)cc1 ZINC000008475274 569341260 /nfs/dbraw/zinc/34/12/60/569341260.db2.gz TURJSRRRLWZJHH-UHFFFAOYSA-N 0 0 413.361 2.513 40 5 HFBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000028831848 569350335 /nfs/dbraw/zinc/35/03/35/569350335.db2.gz IIOVDCJJYDRRLW-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113892702 569393498 /nfs/dbraw/zinc/39/34/98/569393498.db2.gz WPOVDZZQGIXKHN-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000010326043 569395646 /nfs/dbraw/zinc/39/56/46/569395646.db2.gz IYMXCASNMXEDJU-OAHLLOKOSA-N 0 0 407.382 2.694 40 5 HFBBRN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461844 569410499 /nfs/dbraw/zinc/41/04/99/569410499.db2.gz OIXXOOYJIJKHHS-UHFFFAOYSA-N 0 0 412.837 2.791 40 5 HFBBRN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461851 569410548 /nfs/dbraw/zinc/41/05/48/569410548.db2.gz KCJGPVKUTUWOPM-UHFFFAOYSA-N 0 0 412.837 2.791 40 5 HFBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000019168511 569414285 /nfs/dbraw/zinc/41/42/85/569414285.db2.gz BNSAJMZXAPGHAE-SQNIBIBYSA-N 0 0 412.833 2.784 40 5 HFBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(F)(F)F)n1 ZINC000328964959 569422876 /nfs/dbraw/zinc/42/28/76/569422876.db2.gz BZKSVHJDQQAKMJ-LLVKDONJSA-N 0 0 403.336 2.559 40 5 HFBBRN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985238 571135936 /nfs/dbraw/zinc/13/59/36/571135936.db2.gz PLVDVQCAWLFCLX-UHFFFAOYSA-N 0 0 407.448 2.561 40 5 HFBBRN O=C([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015675069 291229416 /nfs/dbraw/zinc/22/94/16/291229416.db2.gz OVVJYEMUKWNENC-SJORKVTESA-N 0 0 410.386 2.651 40 5 biogenic,in-vitro HFBBRN CCc1nnc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)[nH]1 ZINC000040399140 522123009 /nfs/dbraw/zinc/12/30/09/522123009.db2.gz ULDUMJHFPNOOGE-UHFFFAOYSA-N 0 0 412.453 2.987 40 5 HFBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000408548524 557379652 /nfs/dbraw/zinc/37/96/52/557379652.db2.gz IDSLBKIFEHXKSO-NTUHNPAUSA-N 0 0 405.750 2.574 40 5 HFBBRN COc1ccc(C)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220027113 558825373 /nfs/dbraw/zinc/82/53/73/558825373.db2.gz ZDYQVEGGOFLZPK-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220380203 559068401 /nfs/dbraw/zinc/06/84/01/559068401.db2.gz HGYJZRFWVPEWQI-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404727 559074115 /nfs/dbraw/zinc/07/41/15/559074115.db2.gz DJQXHVPZPJIYRS-LBPRGKRZSA-N 0 0 411.867 2.719 40 5 HFBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000014022794 559143158 /nfs/dbraw/zinc/14/31/58/559143158.db2.gz OMVYKLHHRXCEMH-OAHLLOKOSA-N 0 0 403.460 2.943 40 5 HFBBRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408668822 559223728 /nfs/dbraw/zinc/22/37/28/559223728.db2.gz VQDCDSRPMOXRLV-HNNXBMFYSA-N 0 0 411.414 2.692 40 5 HFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1Cl ZINC000408653670 559223752 /nfs/dbraw/zinc/22/37/52/559223752.db2.gz FISLQZQFPAZAHZ-GFCCVEGCSA-N 0 0 417.805 2.783 40 5 HFBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccn1 ZINC000033630739 559224221 /nfs/dbraw/zinc/22/42/21/559224221.db2.gz ISXZDQWDPHCZCK-UHFFFAOYSA-N 0 0 412.427 2.824 40 5 HFBBRN CCNS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC ZINC000408700313 559224377 /nfs/dbraw/zinc/22/43/77/559224377.db2.gz CZJLXVIPWIXWPF-UHFFFAOYSA-N 0 0 407.448 2.852 40 5 HFBBRN CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005294165 560561973 /nfs/dbraw/zinc/56/19/73/560561973.db2.gz ZKDDEGCQUZDFBD-HNNXBMFYSA-N 0 0 408.455 2.589 40 5 HFBBRN Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001380652 560582841 /nfs/dbraw/zinc/58/28/41/560582841.db2.gz KDMJWGSANJZLKH-UHFFFAOYSA-N 0 0 401.448 2.674 40 5 HFBBRN N=C1NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)S1 ZINC000408895153 560650633 /nfs/dbraw/zinc/65/06/33/560650633.db2.gz MFPJYNFAUKEPLN-LCYFTJDESA-N 0 0 405.413 2.501 40 5 HFBBRN Cc1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 ZINC000409233332 560700782 /nfs/dbraw/zinc/70/07/82/560700782.db2.gz VAAQAZIAYARZHX-UYRXBGFRSA-N 0 0 422.441 2.833 40 5 HFBBRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409393074 560719308 /nfs/dbraw/zinc/71/93/08/560719308.db2.gz VEYWTBJELBYDHB-UHFFFAOYSA-N 0 0 419.459 2.705 40 5 HFBBRN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410890 568604857 /nfs/dbraw/zinc/60/48/57/568604857.db2.gz JSKIFUXNURSWRB-UHFFFAOYSA-N 0 0 400.460 2.867 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000222371607 568752559 /nfs/dbraw/zinc/75/25/59/568752559.db2.gz WCLMJWQQHDKBDX-UHFFFAOYSA-N 0 0 419.503 2.808 40 5 HFBBRN CCCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000022390040 568767048 /nfs/dbraw/zinc/76/70/48/568767048.db2.gz JONPVNCQPWWYSF-UHFFFAOYSA-N 0 0 407.448 2.788 40 5 HFBBRN Cc1ccc(C(=O)OCCN2CCOCC2)c([N+](=O)[O-])c1OCc1ccccc1 ZINC000031720267 568929578 /nfs/dbraw/zinc/92/95/78/568929578.db2.gz AZLWYSPSJKDOCJ-UHFFFAOYSA-N 0 0 400.431 2.971 40 5 HFBBRN Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000223697383 569031147 /nfs/dbraw/zinc/03/11/47/569031147.db2.gz XHGAKAXSJRKVLI-UHFFFAOYSA-N 0 0 403.460 2.504 40 5 HFBBRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000223772484 569031622 /nfs/dbraw/zinc/03/16/22/569031622.db2.gz IUJTVLOJLIMUOW-UHFFFAOYSA-N 0 0 418.431 2.783 40 5 HFBBRN CCCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016636947 569061096 /nfs/dbraw/zinc/06/10/96/569061096.db2.gz ZOQNMTNZQFSHRZ-UHFFFAOYSA-N 0 0 404.414 2.937 40 5 HFBBRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000138802158 569192000 /nfs/dbraw/zinc/19/20/00/569192000.db2.gz VJCOCSMPSQYWMV-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CC(C)C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017082823 569273165 /nfs/dbraw/zinc/27/31/65/569273165.db2.gz UFCAJLIDCYOWAK-UHFFFAOYSA-N 0 0 404.414 2.793 40 5 HFBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000017087642 569273735 /nfs/dbraw/zinc/27/37/35/569273735.db2.gz ZZORUYFIKZZGIK-OAHLLOKOSA-N 0 0 407.382 2.694 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224653558 569280030 /nfs/dbraw/zinc/28/00/30/569280030.db2.gz ISXJGXRTLOSNOW-UHFFFAOYSA-N 0 0 422.459 2.979 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225111359 569326506 /nfs/dbraw/zinc/32/65/06/569326506.db2.gz VBBIFUOQHJUGBL-UHFFFAOYSA-N 0 0 412.395 2.501 40 5 HFBBRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225184281 569372729 /nfs/dbraw/zinc/37/27/29/569372729.db2.gz CVVNCZZQUXBXBV-HNNXBMFYSA-N 0 0 401.488 2.991 40 5 HFBBRN CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113887006 569393362 /nfs/dbraw/zinc/39/33/62/569393362.db2.gz QRWDGKVBTQFOAG-UHFFFAOYSA-N 0 0 408.432 2.752 40 5 HFBBRN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011024262 569397760 /nfs/dbraw/zinc/39/77/60/569397760.db2.gz KCHCKPCXEDFKQB-KEYYUXOJSA-N 0 0 409.320 2.699 40 5 HFBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCC1 ZINC000008476165 571052769 /nfs/dbraw/zinc/05/27/69/571052769.db2.gz XFHLYLQFCSDLJQ-UHFFFAOYSA-N 0 0 419.459 2.949 40 5 HFBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000044842326 525051849 /nfs/dbraw/zinc/05/18/49/525051849.db2.gz BGIFPHDIGPZFME-JXMROGBWSA-N 0 0 419.459 2.942 40 5 HFBBRN O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000408527139 557289016 /nfs/dbraw/zinc/28/90/16/557289016.db2.gz FCXKSKPQJGYHPZ-UHFFFAOYSA-N 0 0 413.209 2.740 40 5 HFBBRN COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H]([C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1)O2 ZINC000005741845 557672323 /nfs/dbraw/zinc/67/23/23/557672323.db2.gz XCSPWLQVNNIZQE-OWSLCNJRSA-N 0 0 407.419 2.745 40 5 HFBBRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000004698029 558900929 /nfs/dbraw/zinc/90/09/29/558900929.db2.gz RADHFQNRCYBZBY-KRWDZBQOSA-N 0 0 419.459 2.613 40 5 HFBBRN Cn1c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408528708 559215069 /nfs/dbraw/zinc/21/50/69/559215069.db2.gz ICDQJYHBYRVWKE-UHFFFAOYSA-N 0 0 405.754 2.599 40 5 HFBBRN CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408641836 559223093 /nfs/dbraw/zinc/22/30/93/559223093.db2.gz DCBIKPSDIJKTMV-OAHLLOKOSA-N 0 0 412.398 2.773 40 5 HFBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408678847 559223937 /nfs/dbraw/zinc/22/39/37/559223937.db2.gz DMJRPEUFTJRKJA-UHFFFAOYSA-N 0 0 412.358 2.600 40 5 HFBBRN COc1cc(/C=C2\NC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409188098 560688171 /nfs/dbraw/zinc/68/81/71/560688171.db2.gz AIPUUVISROLREM-KPKJPENVSA-N 0 0 414.330 2.826 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101176166 560787813 /nfs/dbraw/zinc/78/78/13/560787813.db2.gz LTAJSQLTORSAHL-OEMYIYORSA-N 0 0 421.446 2.538 40 5 HFBBRN CC(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O ZINC000101176165 560787839 /nfs/dbraw/zinc/78/78/39/560787839.db2.gz LTAJSQLTORSAHL-DCXXXQMHSA-N 0 0 421.446 2.538 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000260850865 568742287 /nfs/dbraw/zinc/74/22/87/568742287.db2.gz SGVIPANZTBVEMN-HNNXBMFYSA-N 0 0 405.476 2.589 40 5 HFBBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000222366881 568751233 /nfs/dbraw/zinc/75/12/33/568751233.db2.gz SVAFGVDHTUODGY-UHFFFAOYSA-N 0 0 409.439 2.597 40 5 HFBBRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542207 568763178 /nfs/dbraw/zinc/76/31/78/568763178.db2.gz 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CC[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006555354 569065195 /nfs/dbraw/zinc/06/51/95/569065195.db2.gz RYSDMYNNEWQUIL-OAHLLOKOSA-N 0 0 400.391 2.832 40 5 HFBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000017089128 569273451 /nfs/dbraw/zinc/27/34/51/569273451.db2.gz JSWUAGQUICMIBU-UHFFFAOYSA-N 0 0 412.446 2.671 40 5 HFBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000017087641 569273572 /nfs/dbraw/zinc/27/35/72/569273572.db2.gz ZZORUYFIKZZGIK-HNNXBMFYSA-N 0 0 407.382 2.694 40 5 HFBBRN COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225005845 569322040 /nfs/dbraw/zinc/32/20/40/569322040.db2.gz MHQRJRSOTJMVFN-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000006417478 569332063 /nfs/dbraw/zinc/33/20/63/569332063.db2.gz OLZIWDOXNIOZNK-UHFFFAOYSA-N 0 0 405.524 2.518 40 5 HFBBRN COCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000006441124 569332399 /nfs/dbraw/zinc/33/23/99/569332399.db2.gz OEHPJWRMOVXEBU-UHFFFAOYSA-N 0 0 403.460 2.843 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000007939704 569338668 /nfs/dbraw/zinc/33/86/68/569338668.db2.gz SLXBSIFRQBOINM-UHFFFAOYSA-N 0 0 403.366 2.943 40 5 HFBBRN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000008037814 569338980 /nfs/dbraw/zinc/33/89/80/569338980.db2.gz FZKFOCPTDJFGSS-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000008412331 569340350 /nfs/dbraw/zinc/34/03/50/569340350.db2.gz VVUYMNODACQWPH-UHFFFAOYSA-N 0 0 411.292 2.891 40 5 HFBBRN COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000008416423 569340648 /nfs/dbraw/zinc/34/06/48/569340648.db2.gz UXMOYIJQGYMFCN-UHFFFAOYSA-N 0 0 401.375 2.504 40 5 HFBBRN CC(C)[C@@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225188514 569372899 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403.460 2.775 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000039986207 571136054 /nfs/dbraw/zinc/13/60/54/571136054.db2.gz DQBFIJRVRRZPQP-UHFFFAOYSA-N 0 0 421.475 2.951 40 5 HFBBRN COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398995 523163750 /nfs/dbraw/zinc/16/37/50/523163750.db2.gz FMCXJQKQHDBTOP-SCLBCKFNSA-N 0 0 420.473 2.716 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044899980 525470849 /nfs/dbraw/zinc/47/08/49/525470849.db2.gz FSCHEJYSPLBTTG-UHFFFAOYSA-N 0 0 419.459 2.781 40 5 HFBBRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016320914 558786017 /nfs/dbraw/zinc/78/60/17/558786017.db2.gz ODGSNOKYLITMKT-UHFFFAOYSA-N 0 0 417.472 2.555 40 5 HFBBRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000004698030 558900980 /nfs/dbraw/zinc/90/09/80/558900980.db2.gz RADHFQNRCYBZBY-QGZVFWFLSA-N 0 0 419.459 2.613 40 5 HFBBRN CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518484 558963167 /nfs/dbraw/zinc/96/31/67/558963167.db2.gz HYDMQRUAXDAMFF-UHFFFAOYSA-N 0 0 415.059 2.656 40 5 HFBBRN Cc1cccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220394127 559068899 /nfs/dbraw/zinc/06/88/99/559068899.db2.gz GHADMNVFUJTTJM-HNNXBMFYSA-N 0 0 405.476 2.683 40 5 HFBBRN C[C@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404337 559074120 /nfs/dbraw/zinc/07/41/20/559074120.db2.gz AXFQEHDCMOZLQN-CQSZACIVSA-N 0 0 423.516 2.658 40 5 HFBBRN COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406406 559074128 /nfs/dbraw/zinc/07/41/28/559074128.db2.gz DXFWVHKOBDGFAN-ZDUSSCGKSA-N 0 0 407.448 2.705 40 5 HFBBRN C[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410996 559076961 /nfs/dbraw/zinc/07/69/61/559076961.db2.gz XDMQTDLQYZNVRE-LBPRGKRZSA-N 0 0 411.867 2.719 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220452591 559079166 /nfs/dbraw/zinc/07/91/66/559079166.db2.gz XWMGYSITYNZLFO-LLVKDONJSA-N 0 0 413.402 2.975 40 5 HFBBRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000014291971 559163432 /nfs/dbraw/zinc/16/34/32/559163432.db2.gz PLHLATBYFXGODM-UHFFFAOYSA-N 0 0 407.448 2.852 40 5 HFBBRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408552771 559218129 /nfs/dbraw/zinc/21/81/29/559218129.db2.gz NQOKQVABGQPKNS-ZDUSSCGKSA-N 0 0 421.475 2.998 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408588938 559220119 /nfs/dbraw/zinc/22/01/19/559220119.db2.gz DFBFHIWJUSFRQK-CYBMUJFWSA-N 0 0 407.448 2.607 40 5 HFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O ZINC000408642154 559223143 /nfs/dbraw/zinc/22/31/43/559223143.db2.gz DPJKRLNLBRBWLN-CYBMUJFWSA-N 0 0 416.361 2.522 40 5 HFBBRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000408648618 559223348 /nfs/dbraw/zinc/22/33/48/559223348.db2.gz ZQTNCHAAWNDNOC-UHFFFAOYSA-N 0 0 420.443 2.557 40 5 HFBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c([N+](=O)[O-])cc1OC ZINC000409093582 559240643 /nfs/dbraw/zinc/24/06/43/559240643.db2.gz AWLQOIRWMIKUCU-MKMNVTDBSA-N 0 0 410.404 2.600 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000409118824 559241471 /nfs/dbraw/zinc/24/14/71/559241471.db2.gz RDPJHCBSOQTRAE-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000014291281 560840988 /nfs/dbraw/zinc/84/09/88/560840988.db2.gz DUGZLKVRFIWKQC-UHFFFAOYSA-N 0 0 400.376 2.923 40 5 HFBBRN CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103631130 560844009 /nfs/dbraw/zinc/84/40/09/560844009.db2.gz RCHZZIMMUJUXMH-WTGUMLROSA-N 0 0 403.394 2.574 40 5 HFBBRN COc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000020035916 568586452 /nfs/dbraw/zinc/58/64/52/568586452.db2.gz NEPWCIGWGVCHGI-AWEZNQCLSA-N 0 0 421.475 2.555 40 5 HFBBRN CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750343 568595139 /nfs/dbraw/zinc/59/51/39/568595139.db2.gz XYSJZVZIHKUWBY-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000028207991 568595854 /nfs/dbraw/zinc/59/58/54/568595854.db2.gz LSDBUVUHMLWHRH-UHFFFAOYSA-N 0 0 413.839 2.516 40 5 HFBBRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000020611774 568636599 /nfs/dbraw/zinc/63/65/99/568636599.db2.gz ZQBBNNUXFLRIIT-UHFFFAOYSA-N 0 0 402.363 2.601 40 5 HFBBRN CCn1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)cc2sc1=O ZINC000225690478 568664604 /nfs/dbraw/zinc/66/46/04/568664604.db2.gz TTZYBAXUPCJZOW-UHFFFAOYSA-N 0 0 409.445 2.801 40 5 HFBBRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222593465 568764813 /nfs/dbraw/zinc/76/48/13/568764813.db2.gz ZNNJNJLWFGYHNA-ZIAGYGMSSA-N 0 0 421.475 2.635 40 5 HFBBRN 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COc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000017090584 569273512 /nfs/dbraw/zinc/27/35/12/569273512.db2.gz ITDLDKOAPDXHDB-UHFFFAOYSA-N 0 0 416.459 2.567 40 5 HFBBRN Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1I ZINC000017089443 569274002 /nfs/dbraw/zinc/27/40/02/569274002.db2.gz YLJMJLAPLWHZIA-UHFFFAOYSA-N 0 0 413.171 2.920 40 5 HFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224651355 569280223 /nfs/dbraw/zinc/28/02/23/569280223.db2.gz CMCFQHKRNLQYSM-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224757450 569287416 /nfs/dbraw/zinc/28/74/16/569287416.db2.gz APFQCKFARNYKOZ-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225035881 569323453 /nfs/dbraw/zinc/32/34/53/569323453.db2.gz GTMGFMKLGFPXCS-UHFFFAOYSA-N 0 0 400.359 2.631 40 5 HFBBRN CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225073963 569324018 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CQVREWYQGOMVED-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc1N ZINC000024456064 569349860 /nfs/dbraw/zinc/34/98/60/569349860.db2.gz SNCKWOHCQFEGCN-UHFFFAOYSA-N 0 0 411.827 2.528 40 5 HFBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000028831849 569350358 /nfs/dbraw/zinc/35/03/58/569350358.db2.gz IIOVDCJJYDRRLW-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000253372051 569364798 /nfs/dbraw/zinc/36/47/98/569364798.db2.gz DFQLPYSPKQLGGU-JJDSTIRJSA-N 0 0 421.446 2.538 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225342408 569390594 /nfs/dbraw/zinc/39/05/94/569390594.db2.gz NOBCILUTPORZFG-UHFFFAOYSA-N 0 0 411.867 2.957 40 5 HFBBRN COc1ccccc1[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225453215 569398107 /nfs/dbraw/zinc/39/81/07/569398107.db2.gz SZKNTDZTVYASPS-AWEZNQCLSA-N 0 0 421.475 2.555 40 5 HFBBRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013154458 569410052 /nfs/dbraw/zinc/41/00/52/569410052.db2.gz AQIDWBRXCNUVNG-WKRCXCSHSA-N 0 0 421.446 2.538 40 5 HFBBRN NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000013388153 569413115 /nfs/dbraw/zinc/41/31/15/569413115.db2.gz JQWFAAHLQZLTKA-UHFFFAOYSA-N 0 0 414.424 2.583 40 5 HFBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC(C)C ZINC000008475952 571052976 /nfs/dbraw/zinc/05/29/76/571052976.db2.gz KZKLWACPOCZXMF-UHFFFAOYSA-N 0 0 407.448 2.851 40 5 HFBBRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)Cc1ccccc1 ZINC000017092152 132465236 /nfs/dbraw/zinc/46/52/36/132465236.db2.gz RNIBJLDMNUFDGN-AWEZNQCLSA-N 0 0 420.447 2.544 40 5 HFBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572118 557469141 /nfs/dbraw/zinc/46/91/41/557469141.db2.gz GUJRCVLIDALTSX-UHFFFAOYSA-N 0 0 401.394 2.873 40 5 HFBBRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220420497 559078683 /nfs/dbraw/zinc/07/86/83/559078683.db2.gz NJQVCIYQPGDUTE-KGLIPLIRSA-N 0 0 421.475 2.635 40 5 HFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220475402 559119323 /nfs/dbraw/zinc/11/93/23/559119323.db2.gz YBOIBLWLLKFFRU-LLVKDONJSA-N 0 0 411.411 2.536 40 5 HFBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000100101351 559149331 /nfs/dbraw/zinc/14/93/31/559149331.db2.gz GGVUNNUOJDGCBK-AUUYWEPGSA-N 0 0 416.430 2.725 40 5 investigational HFBBRN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000408628551 559222198 /nfs/dbraw/zinc/22/21/98/559222198.db2.gz UTCLQEPANQLPLK-UHFFFAOYSA-N 0 0 403.822 2.982 40 5 HFBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408658569 559223919 /nfs/dbraw/zinc/22/39/19/559223919.db2.gz VBSIBGJTJKCSOT-AWEZNQCLSA-N 0 0 409.398 2.763 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000409244513 560701184 /nfs/dbraw/zinc/70/11/84/560701184.db2.gz DVKZOQMORIXGSF-UHFFFAOYSA-N 0 0 421.475 2.855 40 5 HFBBRN Cc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220033873 568501426 /nfs/dbraw/zinc/50/14/26/568501426.db2.gz YQMKSRUREUNWSV-UHFFFAOYSA-N 0 0 419.503 2.727 40 5 HFBBRN COC(=O)C1C(=C[S@@](=O)c2ccccc2[N+](=O)[O-])ON(C)[C@H]1c1ccccc1 ZINC000005813120 568749333 /nfs/dbraw/zinc/74/93/33/568749333.db2.gz BOHJGMFFFQLPIO-JMQGSBJISA-N 0 0 402.428 2.748 40 5 HFBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223589344 569030566 /nfs/dbraw/zinc/03/05/66/569030566.db2.gz YHPFMXHILZVEKZ-RTBURBONSA-N 0 0 409.471 2.745 40 5 HFBBRN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169413835 569075791 /nfs/dbraw/zinc/07/57/91/569075791.db2.gz KCHCKPCXEDFKQB-ZQIUZPCESA-N 0 0 409.320 2.699 40 5 HFBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O)c1ccc(Cl)cc1 ZINC000138653575 569160513 /nfs/dbraw/zinc/16/05/13/569160513.db2.gz ZETCLIQQZFNPRK-UHFFFAOYSA-N 0 0 415.789 2.637 40 5 HFBBRN Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(O)c1 ZINC000017090588 569274102 /nfs/dbraw/zinc/27/41/02/569274102.db2.gz GGQRIBUFOPIFOC-UHFFFAOYSA-N 0 0 416.459 2.572 40 5 HFBBRN COC(=O)C(=C/c1nc2ccc([N+](=O)[O-])cc2s1)/C(C(=O)OC)=C1/CCCN1C ZINC000017174747 569275993 /nfs/dbraw/zinc/27/59/93/569275993.db2.gz COICVVAABJJKEZ-XSJNGTIOSA-N 0 0 417.443 2.914 40 5 HFBBRN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224770590 569288950 /nfs/dbraw/zinc/28/89/50/569288950.db2.gz GOVXLSVHSRQYPG-UHFFFAOYSA-N 0 0 408.432 2.670 40 5 HFBBRN O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007842632 569314083 /nfs/dbraw/zinc/31/40/83/569314083.db2.gz ZAKPUHKIPREFDN-UHFFFAOYSA-N 0 0 412.446 2.520 40 5 HFBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1 ZINC000007881745 569338133 /nfs/dbraw/zinc/33/81/33/569338133.db2.gz LUGGQCTXBWNAGK-AWEZNQCLSA-N 0 0 409.398 2.681 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000008036861 569338914 /nfs/dbraw/zinc/33/89/14/569338914.db2.gz RLXJMUCHCCDGTC-ZDUSSCGKSA-N 0 0 415.377 2.577 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000008038716 569339049 /nfs/dbraw/zinc/33/90/49/569339049.db2.gz AYSFSQKKQBRSPO-OAHLLOKOSA-N 0 0 411.414 2.746 40 5 HFBBRN COc1ccc(C)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000008369867 569340212 /nfs/dbraw/zinc/34/02/12/569340212.db2.gz RKNOXQDWPUCKPT-UHFFFAOYSA-N 0 0 407.448 2.625 40 5 HFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)c1 ZINC000008413283 569340417 /nfs/dbraw/zinc/34/04/17/569340417.db2.gz KLWHVMOXVARNSB-UHFFFAOYSA-N 0 0 415.402 2.812 40 5 HFBBRN Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000008433903 569341029 /nfs/dbraw/zinc/34/10/29/569341029.db2.gz LPLPNZFZBVJVGO-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000008433897 569341033 /nfs/dbraw/zinc/34/10/33/569341033.db2.gz BHZRKMZMORXXCZ-HNNXBMFYSA-N 0 0 411.414 2.746 40 5 HFBBRN O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 ZINC000010296245 569343262 /nfs/dbraw/zinc/34/32/62/569343262.db2.gz MADLLPATANQMHU-MRXNPFEDSA-N 0 0 406.337 2.578 40 5 HFBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000010329129 569343816 /nfs/dbraw/zinc/34/38/16/569343816.db2.gz IIKWNHMRUMMDCY-INIZCTEOSA-N 0 0 419.503 2.807 40 5 HFBBRN CC(C)[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225188417 569372875 /nfs/dbraw/zinc/37/28/75/569372875.db2.gz PNSAHBNGRLIYQA-OAHLLOKOSA-N 0 0 405.476 2.951 40 5 HFBBRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225453169 569398097 /nfs/dbraw/zinc/39/80/97/569398097.db2.gz SZKNTDZTVYASPS-CQSZACIVSA-N 0 0 421.475 2.555 40 5 HFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868492 569432278 /nfs/dbraw/zinc/43/22/78/569432278.db2.gz GPPJBOZEDAQJPZ-UHFFFAOYSA-N 0 0 421.450 2.914 40 5 HFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000038772404 571081087 /nfs/dbraw/zinc/08/10/87/571081087.db2.gz FEVDTONNDHNWCT-WEVVVXLNSA-N 0 0 401.488 2.756 40 5 HFBBRN COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729489 571107043 /nfs/dbraw/zinc/10/70/43/571107043.db2.gz BFVCKITZWICHIL-UHFFFAOYSA-N 0 0 414.823 2.625 40 5 HFBBRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000039986144 571135906 /nfs/dbraw/zinc/13/59/06/571135906.db2.gz KAMBLPYUVKGIDX-UHFFFAOYSA-N 0 0 421.475 2.951 40 5 HFBBRN