smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCCCCN1CCN(C(=O)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001079160902 839490236 /nfs/dbraw/zinc/49/02/36/839490236.db2.gz OTMUBEPRQMJTSG-HUUCEWRRSA-N 0 3 352.435 0.492 20 5 FCBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC2CCOCC2)CC1 ZINC001121381611 848346703 /nfs/dbraw/zinc/34/67/03/848346703.db2.gz UNUGNIOHYQCIIN-UHFFFAOYSA-N 0 3 352.439 0.573 20 5 FCBDHN CN(c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1)S(=O)(=O)CCN ZINC001164296762 850404253 /nfs/dbraw/zinc/40/42/53/850404253.db2.gz OWPUYQIWYCQULR-UHFFFAOYSA-N 0 3 353.360 0.902 20 5 FCBDHN CS(=O)(=O)N(C1CNC1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001166968848 850516715 /nfs/dbraw/zinc/51/67/15/850516715.db2.gz NYRFMRLKCIKJEL-UHFFFAOYSA-N 0 3 356.738 0.926 20 5 FCBDHN C[C@@H](Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170562342 850659466 /nfs/dbraw/zinc/65/94/66/850659466.db2.gz IJVPKMPQUQORLB-RQJHMYQMSA-N 0 3 365.799 0.231 20 5 FCBDHN NCCS(=O)(=O)NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012397 850717080 /nfs/dbraw/zinc/71/70/80/850717080.db2.gz RVSUWODHQGHUMU-UHFFFAOYSA-N 0 3 364.374 0.720 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001328489483 871458353 /nfs/dbraw/zinc/45/83/53/871458353.db2.gz QDBRKUVHSGBLGH-AWEZNQCLSA-N 0 3 351.407 0.859 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001347786703 872493920 /nfs/dbraw/zinc/49/39/20/872493920.db2.gz ZTOXYZXZEJEHPA-QMMMGPOBSA-N 0 3 361.196 0.592 20 5 FCBDHN C[C@@H](NC1CC1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000294973878 214272803 /nfs/dbraw/zinc/27/28/03/214272803.db2.gz GMJGDINIZXOOPC-SNVBAGLBSA-N 0 3 356.404 0.130 20 5 FCBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294862937 214267683 /nfs/dbraw/zinc/26/76/83/214267683.db2.gz CIFCVPSBSGIUGS-GFCCVEGCSA-N 0 3 372.447 0.762 20 5 FCBDHN Cc1nn(CCC(=O)N[C@@H]2CCCN(CCCO)C2)c(C)c1[N+](=O)[O-] ZINC000295387709 214294974 /nfs/dbraw/zinc/29/49/74/214294974.db2.gz HJBASCDLWDNFTP-CQSZACIVSA-N 0 3 353.423 0.761 20 5 FCBDHN CN1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)(N2CCOCC2)CC1 ZINC000413872258 530049428 /nfs/dbraw/zinc/04/94/28/530049428.db2.gz DYSBZCNUPLSPPI-UHFFFAOYSA-N 0 3 351.407 0.449 20 5 FCBDHN CN1CC[C@@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285760908 213391175 /nfs/dbraw/zinc/39/11/75/213391175.db2.gz LZGIYYOMNCURNF-CABCVRRESA-N 0 3 362.386 0.256 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193990611 209321470 /nfs/dbraw/zinc/32/14/70/209321470.db2.gz QXKVWYMLCNZCRX-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193104485 209308507 /nfs/dbraw/zinc/30/85/07/209308507.db2.gz CEFFNSBQEBUXNQ-CYBMUJFWSA-N 0 3 356.448 0.899 20 5 FCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187394869 209212820 /nfs/dbraw/zinc/21/28/20/209212820.db2.gz HRRVNDNZKRUNFN-CYBMUJFWSA-N 0 3 363.418 0.676 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183425902 209145598 /nfs/dbraw/zinc/14/55/98/209145598.db2.gz JGQCBDPOGUMFHT-MRXNPFEDSA-N 0 3 373.413 0.983 20 5 FCBDHN C[S@](=O)C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183098485 209140345 /nfs/dbraw/zinc/14/03/45/209140345.db2.gz NTKAQEZQBMRBRX-OWWKKJFISA-N 0 3 352.416 0.862 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963692 217339041 /nfs/dbraw/zinc/33/90/41/217339041.db2.gz RWXFQWNEHZXZLP-JKSUJKDBSA-N 0 3 350.350 0.885 20 5 FCBDHN NS(=O)(=O)c1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000376295739 217381821 /nfs/dbraw/zinc/38/18/21/217381821.db2.gz ILFVYYAHYKDHDE-GFCCVEGCSA-N 0 3 370.431 0.907 20 5 FCBDHN Cc1c(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419758274 246286567 /nfs/dbraw/zinc/28/65/67/246286567.db2.gz JVYROFXVLGNSFD-DGCLKSJQSA-N 0 3 364.402 0.749 20 5 FCBDHN CO[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](CN)C1 ZINC000419764648 246288341 /nfs/dbraw/zinc/28/83/41/246288341.db2.gz WDRSBKIKIUJWDI-KGLIPLIRSA-N 0 3 364.402 0.484 20 5 FCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423606490 247073108 /nfs/dbraw/zinc/07/31/08/247073108.db2.gz KJOMSHYMJNCVAL-WDEREUQCSA-N 0 3 356.404 0.082 20 5 FCBDHN Cc1c(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424450986 247221969 /nfs/dbraw/zinc/22/19/69/247221969.db2.gz ZKIBBYQTJDIQOO-QWHCGFSZSA-N 0 3 372.385 0.529 20 5 FCBDHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000441229515 248244483 /nfs/dbraw/zinc/24/44/83/248244483.db2.gz KTTMYZXPKZZPPJ-GDBMZVCRSA-N 0 3 368.386 0.580 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453805991 249370474 /nfs/dbraw/zinc/37/04/74/249370474.db2.gz MTDPTZPSWSNBAJ-CQSZACIVSA-N 0 3 364.402 0.805 20 5 FCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000472117951 250133553 /nfs/dbraw/zinc/13/35/53/250133553.db2.gz OJHHZSFJBZVODU-CYBMUJFWSA-N 0 3 352.439 0.669 20 5 FCBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000075649940 208063039 /nfs/dbraw/zinc/06/30/39/208063039.db2.gz LYOOUYDNAWJGBO-AIANPOQGSA-N 0 3 367.450 0.726 20 5 FCBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676642 208063108 /nfs/dbraw/zinc/06/31/08/208063108.db2.gz BWZIZFVQJLDBFE-HIFRSBDPSA-N 0 3 353.423 0.781 20 5 FCBDHN CCN1CCN(CCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000102488108 208171000 /nfs/dbraw/zinc/17/10/00/208171000.db2.gz WMZPIJBESFNERX-UHFFFAOYSA-N 0 3 352.439 0.552 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(O)CCN(C)CC1 ZINC000266708003 210387602 /nfs/dbraw/zinc/38/76/02/210387602.db2.gz HZNIVSJUUMQKOH-GFCCVEGCSA-N 0 3 364.402 0.286 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCCCC1 ZINC000047141072 488015985 /nfs/dbraw/zinc/01/59/85/488015985.db2.gz IXQWVAWRSZJFIQ-UHFFFAOYSA-N 0 3 362.386 0.922 20 5 FCBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137608 488387777 /nfs/dbraw/zinc/38/77/77/488387777.db2.gz KZZUBUVINUGMKH-AWEZNQCLSA-N 0 3 350.419 0.973 20 5 FCBDHN NC(=O)CN(CCC1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075717009 488398138 /nfs/dbraw/zinc/39/81/38/488398138.db2.gz MYJMJGOSDPTTQO-HNNXBMFYSA-N 0 3 353.423 0.910 20 5 FCBDHN C[C@@H](CC(=O)N(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268857976 488453684 /nfs/dbraw/zinc/45/36/84/488453684.db2.gz VAWPBCXNACJWLB-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN CCc1nn(C)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000091671103 488467539 /nfs/dbraw/zinc/46/75/39/488467539.db2.gz CXPQENORYJDRNN-CYBMUJFWSA-N 0 3 350.423 0.809 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000248464902 488497382 /nfs/dbraw/zinc/49/73/82/488497382.db2.gz RIDGFXQFRPWHSV-HOTGVXAUSA-N 0 3 365.430 0.989 20 5 FCBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000269386869 488498014 /nfs/dbraw/zinc/49/80/14/488498014.db2.gz QLIGCUBSBLYRGD-UHFFFAOYSA-N 0 3 352.395 0.287 20 5 FCBDHN CC(C)c1n[nH]c(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000269386869 488498016 /nfs/dbraw/zinc/49/80/16/488498016.db2.gz QLIGCUBSBLYRGD-UHFFFAOYSA-N 0 3 352.395 0.287 20 5 FCBDHN CC(C)c1n[n-]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000269386869 488498017 /nfs/dbraw/zinc/49/80/17/488498017.db2.gz QLIGCUBSBLYRGD-UHFFFAOYSA-N 0 3 352.395 0.287 20 5 FCBDHN [NH3+]CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000569928812 491203771 /nfs/dbraw/zinc/20/37/71/491203771.db2.gz HJRKTQUSQBQXDA-LBPRGKRZSA-N 0 3 370.431 0.461 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000109544963 488523606 /nfs/dbraw/zinc/52/36/06/488523606.db2.gz NYBAGXOTMAUAQS-NEPJUHHUSA-N 0 3 370.431 0.778 20 5 FCBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272046554 488560030 /nfs/dbraw/zinc/56/00/30/488560030.db2.gz SEMZVBHRKBCMIV-UHFFFAOYSA-N 0 3 366.418 0.739 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272421781 488579811 /nfs/dbraw/zinc/57/98/11/488579811.db2.gz HMPUOGJVMCRJRI-UONOGXRCSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272421781 488579813 /nfs/dbraw/zinc/57/98/13/488579813.db2.gz HMPUOGJVMCRJRI-UONOGXRCSA-N 0 3 359.386 0.931 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272630907 488593504 /nfs/dbraw/zinc/59/35/04/488593504.db2.gz AJWQHMJHGIOUSL-CYBMUJFWSA-N 0 3 362.390 0.760 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000130551726 488638660 /nfs/dbraw/zinc/63/86/60/488638660.db2.gz OBWKNCSRFDFQMP-UHFFFAOYSA-N 0 3 365.434 0.794 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000131605143 488647646 /nfs/dbraw/zinc/64/76/46/488647646.db2.gz VTUWGACBMBBVHP-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154468337 488743664 /nfs/dbraw/zinc/74/36/64/488743664.db2.gz MOVBOLOXBMCUJU-IRXDYDNUSA-N 0 3 362.430 0.867 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000267029215 488754707 /nfs/dbraw/zinc/75/47/07/488754707.db2.gz DSBOXPYTCSNYTH-UHFFFAOYSA-N 0 3 351.359 0.553 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000173732010 488845039 /nfs/dbraw/zinc/84/50/39/488845039.db2.gz CZHKXQAXODUYRH-GDBMZVCRSA-N 0 3 353.423 0.196 20 5 FCBDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000364917024 489017301 /nfs/dbraw/zinc/01/73/01/489017301.db2.gz JSOIFAILSNTFML-HNNXBMFYSA-N 0 3 368.459 0.995 20 5 FCBDHN CN1CCC[C@H](N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000365350616 489066192 /nfs/dbraw/zinc/06/61/92/489066192.db2.gz FEVPYMLACWXVMY-AWEZNQCLSA-N 0 3 350.423 0.420 20 5 FCBDHN CNc1nccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)c1[N+](=O)[O-] ZINC000563392816 491241260 /nfs/dbraw/zinc/24/12/60/491241260.db2.gz ATGLMYPZOUNGAJ-UHFFFAOYSA-N 0 3 359.390 0.591 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298032236 489280571 /nfs/dbraw/zinc/28/05/71/489280571.db2.gz FQWXXCUBFIIHOM-UHFFFAOYSA-N 0 3 352.391 0.878 20 5 FCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563443046 491247127 /nfs/dbraw/zinc/24/71/27/491247127.db2.gz VMIWQYKKZMMQEV-JOYOIKCWSA-N 0 3 350.400 0.701 20 5 FCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563443047 491247302 /nfs/dbraw/zinc/24/73/02/491247302.db2.gz VMIWQYKKZMMQEV-SKDRFNHKSA-N 0 3 350.400 0.701 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286899888 489440839 /nfs/dbraw/zinc/44/08/39/489440839.db2.gz GVMTUYOCJFAJMH-JTQLQIEISA-N 0 3 373.435 0.111 20 5 FCBDHN COc1cc(C(=O)NCCCN2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000299444752 489442418 /nfs/dbraw/zinc/44/24/18/489442418.db2.gz JFBOONSDXWDRMF-UHFFFAOYSA-N 0 3 366.418 0.979 20 5 FCBDHN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371581647 489489155 /nfs/dbraw/zinc/48/91/55/489489155.db2.gz HMQUHXVERSYOHU-DZGCQCFKSA-N 0 3 362.434 0.901 20 5 FCBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371581649 489489236 /nfs/dbraw/zinc/48/92/36/489489236.db2.gz HMQUHXVERSYOHU-UKRRQHHQSA-N 0 3 362.434 0.901 20 5 FCBDHN NS(=O)(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000414385132 489498009 /nfs/dbraw/zinc/49/80/09/489498009.db2.gz WLDPROQMDBPZFT-UHFFFAOYSA-N 0 3 359.795 0.882 20 5 FCBDHN CN1CC[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000416493656 489601199 /nfs/dbraw/zinc/60/11/99/489601199.db2.gz FWKKHPFAPHNACJ-SNVBAGLBSA-N 0 3 357.388 0.596 20 5 FCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COC3CCOCC3)CC2)n1 ZINC000489015062 489690818 /nfs/dbraw/zinc/69/08/18/489690818.db2.gz PKHHDLXSGPVQPV-AWEZNQCLSA-N 0 3 354.407 0.985 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000474352227 489756705 /nfs/dbraw/zinc/75/67/05/489756705.db2.gz KYZJYYTXUUIXTJ-CQSZACIVSA-N 0 3 366.418 0.482 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)cc1[N+](=O)[O-] ZINC000418954031 489803446 /nfs/dbraw/zinc/80/34/46/489803446.db2.gz WZLFVFZZDJDQKR-BXUZGUMPSA-N 0 3 364.402 0.805 20 5 FCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCC(=O)NCCN1CCCCCC1 ZINC000431481039 489806596 /nfs/dbraw/zinc/80/65/96/489806596.db2.gz AQRADFHACPJQGB-UHFFFAOYSA-N 0 3 364.406 0.493 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000376898348 489813615 /nfs/dbraw/zinc/81/36/15/489813615.db2.gz VYGKFRYVTBQEQF-MNOVXSKESA-N 0 3 356.404 0.517 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000571231668 491294796 /nfs/dbraw/zinc/29/47/96/491294796.db2.gz YUBIJFIQSAGGPN-QGZVFWFLSA-N 0 3 363.370 0.553 20 5 FCBDHN CC[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000378224572 490030729 /nfs/dbraw/zinc/03/07/29/490030729.db2.gz LCFSLDKNAKFAKK-HNNXBMFYSA-N 0 3 370.431 0.379 20 5 FCBDHN COC(=O)C[C@@]1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000464606365 490062558 /nfs/dbraw/zinc/06/25/58/490062558.db2.gz FZDOPHNVDIWPTP-BBRMVZONSA-N 0 3 354.359 0.646 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000545155491 490085633 /nfs/dbraw/zinc/08/56/33/490085633.db2.gz UUBAKAQKBFSWPD-QGZVFWFLSA-N 0 3 360.370 0.705 20 5 FCBDHN COc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000520277348 490126631 /nfs/dbraw/zinc/12/66/31/490126631.db2.gz FUSNZUTWLIPBII-KRWDZBQOSA-N 0 3 365.386 0.799 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000422022295 490127741 /nfs/dbraw/zinc/12/77/41/490127741.db2.gz NSPKXFYKGVXQKU-ZDUSSCGKSA-N 0 3 364.402 0.886 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000422027773 490128496 /nfs/dbraw/zinc/12/84/96/490128496.db2.gz VWXNSDSNURBVNK-OAHLLOKOSA-N 0 3 363.418 0.947 20 5 FCBDHN CC(C)NC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000520611923 490172332 /nfs/dbraw/zinc/17/23/32/490172332.db2.gz VLANJUWPPAFMTF-QWHCGFSZSA-N 0 3 361.402 0.481 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000407990988 490196250 /nfs/dbraw/zinc/19/62/50/490196250.db2.gz RKJBOCKGOXQBKO-RYUDHWBXSA-N 0 3 357.436 0.916 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408025255 490213170 /nfs/dbraw/zinc/21/31/70/490213170.db2.gz PTDMGHDDJCKVHF-KRWDZBQOSA-N 0 3 359.430 0.633 20 5 FCBDHN CN1CCN(c2ccncc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000533362406 490222687 /nfs/dbraw/zinc/22/26/87/490222687.db2.gz RZLXPWWQZBAFKS-UHFFFAOYSA-N 0 3 372.385 0.542 20 5 FCBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466951372 490232530 /nfs/dbraw/zinc/23/25/30/490232530.db2.gz MZXMZRZSSHBMOF-NSHDSACASA-N 0 3 365.390 0.935 20 5 FCBDHN Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000521371299 490252484 /nfs/dbraw/zinc/25/24/84/490252484.db2.gz BNVJDHZZPBSWOL-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000467478316 490297222 /nfs/dbraw/zinc/29/72/22/490297222.db2.gz RRUHQIHYYLVXFE-UHFFFAOYSA-N 0 3 371.415 0.185 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(N3CCOCC3)nc2)c1 ZINC000521862595 490304781 /nfs/dbraw/zinc/30/47/81/490304781.db2.gz GDLXZLOSIDUNMB-OAHLLOKOSA-N 0 3 362.390 0.174 20 5 FCBDHN Cc1c(C(=O)NCCN2CCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468311010 490384007 /nfs/dbraw/zinc/38/40/07/490384007.db2.gz SXRUJMPPBFOBML-UHFFFAOYSA-N 0 3 356.404 0.376 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450591480 490477896 /nfs/dbraw/zinc/47/78/96/490477896.db2.gz GANKQPIRDYPIQJ-GFCCVEGCSA-N 0 3 372.447 0.762 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN1CCCO ZINC000450593045 490478069 /nfs/dbraw/zinc/47/80/69/490478069.db2.gz IFQGXRITSNBUGV-LBPRGKRZSA-N 0 3 358.420 0.501 20 5 FCBDHN [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422860720 490488083 /nfs/dbraw/zinc/48/80/83/490488083.db2.gz IRSGFHXIWCKHST-MNOVXSKESA-N 0 3 356.404 0.117 20 5 FCBDHN C[NH2+]C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422890529 490493178 /nfs/dbraw/zinc/49/31/78/490493178.db2.gz IMDYQRSYQASJDR-LLVKDONJSA-N 0 3 356.404 0.084 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000571824192 491331283 /nfs/dbraw/zinc/33/12/83/491331283.db2.gz NJDZOFGEVQYWPE-GXSJLCMTSA-N 0 3 368.415 0.597 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H](N)C2CCC2)c([N+](=O)[O-])c1 ZINC000422933161 490502144 /nfs/dbraw/zinc/50/21/44/490502144.db2.gz HGIAFCDYJMQCCM-AWEZNQCLSA-N 0 3 370.431 0.654 20 5 FCBDHN C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422974816 490508366 /nfs/dbraw/zinc/50/83/66/490508366.db2.gz ARNOFKPGQFWCAQ-QWHCGFSZSA-N 0 3 356.448 0.993 20 5 FCBDHN C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422975116 490509229 /nfs/dbraw/zinc/50/92/29/490509229.db2.gz ARNOFKPGQFWCAQ-STQMWFEESA-N 0 3 356.448 0.993 20 5 FCBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000510807452 490541491 /nfs/dbraw/zinc/54/14/91/490541491.db2.gz CEZQVMVOJXLIJH-CHWSQXEVSA-N 0 3 358.420 0.207 20 5 FCBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000510807458 490541549 /nfs/dbraw/zinc/54/15/49/490541549.db2.gz CEZQVMVOJXLIJH-QWHCGFSZSA-N 0 3 358.420 0.207 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000501513501 490610368 /nfs/dbraw/zinc/61/03/68/490610368.db2.gz PLGPABGRASCHBV-KRWDZBQOSA-N 0 3 359.386 0.695 20 5 FCBDHN C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391981 490617531 /nfs/dbraw/zinc/61/75/31/490617531.db2.gz DDYXYGBBXHUNIT-RYUDHWBXSA-N 0 3 370.431 0.187 20 5 FCBDHN C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391981 490617538 /nfs/dbraw/zinc/61/75/38/490617538.db2.gz DDYXYGBBXHUNIT-RYUDHWBXSA-N 0 3 370.431 0.187 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000501739133 490638791 /nfs/dbraw/zinc/63/87/91/490638791.db2.gz KFKDTIYQQLFMLN-CABCVRRESA-N 0 3 373.413 0.941 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000516948486 490887060 /nfs/dbraw/zinc/88/70/60/490887060.db2.gz IVDCOYFBAKHBMX-QGZVFWFLSA-N 0 3 352.435 0.656 20 5 FCBDHN CN(C)CCOCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542458289 490897901 /nfs/dbraw/zinc/89/79/01/490897901.db2.gz JILKBVYVKISUHA-UHFFFAOYSA-N 0 3 372.809 0.672 20 5 FCBDHN Nc1nccc(C(=O)NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000518215196 490933264 /nfs/dbraw/zinc/93/32/64/490933264.db2.gz OUULVPFKDOIQKS-UHFFFAOYSA-N 0 3 364.406 0.294 20 5 FCBDHN CCOc1ccc(NC(=O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000565535844 491382871 /nfs/dbraw/zinc/38/28/71/491382871.db2.gz NAERDXWYDFTFHD-AWEZNQCLSA-N 0 3 363.374 0.779 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566437630 491443740 /nfs/dbraw/zinc/44/37/40/491443740.db2.gz HFDAQKWLTNMHAX-LBPRGKRZSA-N 0 3 364.406 0.245 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000559265531 491459395 /nfs/dbraw/zinc/45/93/95/491459395.db2.gz QGFLAGUQARMOQJ-GFCCVEGCSA-N 0 3 366.422 0.207 20 5 FCBDHN C[C@H]1COCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640864 491488836 /nfs/dbraw/zinc/48/88/36/491488836.db2.gz SSQYJUMVKYCPPN-XJKSGUPXSA-N 0 3 353.423 0.337 20 5 FCBDHN CCOC(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000567383496 491503020 /nfs/dbraw/zinc/50/30/20/491503020.db2.gz DVJGLIVRUBSEAU-AWEZNQCLSA-N 0 3 350.375 0.486 20 5 FCBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567573029 491514588 /nfs/dbraw/zinc/51/45/88/491514588.db2.gz PMGKZISCGVSTTI-GFCCVEGCSA-N 0 3 352.391 0.579 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000567707590 491524346 /nfs/dbraw/zinc/52/43/46/491524346.db2.gz YXDHQESMJYKFRC-RYUDHWBXSA-N 0 3 367.328 0.005 20 5 FCBDHN N[C@@H]1C[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN2C1=O ZINC000568415302 491575612 /nfs/dbraw/zinc/57/56/12/491575612.db2.gz NVGVUORUHVMIKO-IONNQARKSA-N 0 3 356.180 0.501 20 5 FCBDHN CCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413127 491575768 /nfs/dbraw/zinc/57/57/68/491575768.db2.gz VKCAPKBDGBHNMV-CJNGLKHVSA-N 0 3 350.375 0.674 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000577145585 491595388 /nfs/dbraw/zinc/59/53/88/491595388.db2.gz FVCFCJIKDYRDNR-CYBMUJFWSA-N 0 3 366.418 0.855 20 5 FCBDHN CNc1nccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000561315559 491596762 /nfs/dbraw/zinc/59/67/62/491596762.db2.gz IOQUBZJWBGERQG-GFCCVEGCSA-N 0 3 350.423 0.787 20 5 FCBDHN C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000568880427 491616025 /nfs/dbraw/zinc/61/60/25/491616025.db2.gz HVBWGHIQAFEWKP-GFCCVEGCSA-N 0 3 364.402 0.740 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000561767470 491629869 /nfs/dbraw/zinc/62/98/69/491629869.db2.gz DNYSPNOWWWXJRX-NSHDSACASA-N 0 3 358.420 0.282 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000576755518 491642032 /nfs/dbraw/zinc/64/20/32/491642032.db2.gz OICNMALHPUGHER-LSDHHAIUSA-N 0 3 353.419 0.771 20 5 FCBDHN Cc1cc(OCC(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000578520833 491679103 /nfs/dbraw/zinc/67/91/03/491679103.db2.gz FABFUPDZPJYEKO-LBPRGKRZSA-N 0 3 352.391 0.465 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCN(CCCO)C2)cc1 ZINC000579108691 491691247 /nfs/dbraw/zinc/69/12/47/491691247.db2.gz FMLACNLIQJZEAS-CQSZACIVSA-N 0 3 371.459 0.805 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CCN2C1=O ZINC000579615401 491701726 /nfs/dbraw/zinc/70/17/26/491701726.db2.gz HMTYFNZTCFINAB-CHWSQXEVSA-N 0 3 359.386 0.235 20 5 FCBDHN Cn1cc(C[C@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000580194366 491721037 /nfs/dbraw/zinc/72/10/37/491721037.db2.gz KKOKPLMUAYMIDQ-ZIAGYGMSSA-N 0 3 350.375 0.261 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580315508 491725847 /nfs/dbraw/zinc/72/58/47/491725847.db2.gz CFOKYFNZAHFYNV-CHWSQXEVSA-N 0 3 373.431 0.348 20 5 FCBDHN COC(=O)C[C@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000589162447 491756778 /nfs/dbraw/zinc/75/67/78/491756778.db2.gz UKQWBDFDXVJSRD-ZBFHGGJFSA-N 0 3 363.374 0.615 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C ZINC000581499873 491775611 /nfs/dbraw/zinc/77/56/11/491775611.db2.gz VLNKSLJLKLTTLJ-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN COC(=O)c1cc(NC(=O)N2CCN(C)C[C@@H]2CN)c(C)c([N+](=O)[O-])c1 ZINC000582289278 491805782 /nfs/dbraw/zinc/80/57/82/491805782.db2.gz RCTRSFMTMLPZKU-LBPRGKRZSA-N 0 3 365.390 0.796 20 5 FCBDHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000582323081 491807401 /nfs/dbraw/zinc/80/74/01/491807401.db2.gz LJMQNBLXFJSCTM-SNVBAGLBSA-N 0 3 368.390 0.408 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591728532 491822863 /nfs/dbraw/zinc/82/28/63/491822863.db2.gz SMWUUPJHKDQHAZ-CHWSQXEVSA-N 0 3 373.431 0.348 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CCN2C1=O ZINC000584302845 491862629 /nfs/dbraw/zinc/86/26/29/491862629.db2.gz PGFJDROGXMLIOH-HUUCEWRRSA-N 0 3 370.369 0.165 20 5 FCBDHN N[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[C@H]1F ZINC000595261205 491908212 /nfs/dbraw/zinc/90/82/12/491908212.db2.gz VTAXAFTVLQQFRU-CHWSQXEVSA-N 0 3 352.366 0.943 20 5 FCBDHN CC[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595268664 491909768 /nfs/dbraw/zinc/90/97/68/491909768.db2.gz LJQCHAAPHUURKA-KFWWJZLASA-N 0 3 361.402 0.999 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000596060788 491974204 /nfs/dbraw/zinc/97/42/04/491974204.db2.gz HSSVZWJESBJRRP-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN NC(=O)c1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000596174171 491978541 /nfs/dbraw/zinc/97/85/41/491978541.db2.gz BSBQTJULNGOZBK-OAHLLOKOSA-N 0 3 361.402 0.612 20 5 FCBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596195017 491979126 /nfs/dbraw/zinc/97/91/26/491979126.db2.gz CTVXHDSHORBYOE-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN CCCN1CC[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000597284112 492027357 /nfs/dbraw/zinc/02/73/57/492027357.db2.gz ZZYLSCYPQXOOEG-NSHDSACASA-N 0 3 374.401 0.688 20 5 FCBDHN CN(CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000604532190 492062975 /nfs/dbraw/zinc/06/29/75/492062975.db2.gz HXGJVFCZGCBGEN-UHFFFAOYSA-N 0 3 359.404 0.737 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598185343 492088067 /nfs/dbraw/zinc/08/80/67/492088067.db2.gz IKYGYAACCILCJR-UHFFFAOYSA-N 0 3 351.407 0.485 20 5 FCBDHN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(c2ccncc2)CC1 ZINC000598589443 492106369 /nfs/dbraw/zinc/10/63/69/492106369.db2.gz NQFOXRCCIORHNU-UHFFFAOYSA-N 0 3 371.401 0.943 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007183 492130553 /nfs/dbraw/zinc/13/05/53/492130553.db2.gz BVEAOTYQXUMACE-CYBMUJFWSA-N 0 3 353.375 0.303 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531186 492184497 /nfs/dbraw/zinc/18/44/97/492184497.db2.gz LWROBEODQLKLIY-RYUDHWBXSA-N 0 3 353.375 0.465 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C[C@@H]1O ZINC000599955263 492221858 /nfs/dbraw/zinc/22/18/58/492221858.db2.gz HYLZCAOROSXNOG-GJZGRUSLSA-N 0 3 363.349 0.667 20 5 FCBDHN CO[C@H](CN)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423900329 536556228 /nfs/dbraw/zinc/55/62/28/536556228.db2.gz LZURIUFSZYBWGR-CQSZACIVSA-N 0 3 362.390 0.484 20 5 FCBDHN COC(=O)[C@H](O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000441229517 536749786 /nfs/dbraw/zinc/74/97/86/536749786.db2.gz KTTMYZXPKZZPPJ-GOEBONIOSA-N 0 3 368.386 0.580 20 5 FCBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)cc1OC ZINC000545174293 546883039 /nfs/dbraw/zinc/88/30/39/546883039.db2.gz DKIPPGHRHDGFLO-MRXNPFEDSA-N 0 3 353.375 0.799 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000547275979 546903686 /nfs/dbraw/zinc/90/36/86/546903686.db2.gz RSQWJRCKXBAKFW-INIZCTEOSA-N 0 3 351.359 0.091 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCCC1 ZINC000591756225 546939796 /nfs/dbraw/zinc/93/97/96/546939796.db2.gz RZMIWLHLBXOHOF-LSDHHAIUSA-N 0 3 351.407 0.675 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCCC1 ZINC000591756221 546940090 /nfs/dbraw/zinc/94/00/90/546940090.db2.gz RZMIWLHLBXOHOF-GJZGRUSLSA-N 0 3 351.407 0.675 20 5 FCBDHN CC1(C)CNCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592473496 546950749 /nfs/dbraw/zinc/95/07/49/546950749.db2.gz YDRIJVSVVKWUFB-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000592489971 546951285 /nfs/dbraw/zinc/95/12/85/546951285.db2.gz XWXSHWKEXUVBDJ-CQSZACIVSA-N 0 3 353.375 0.819 20 5 FCBDHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594771027 547007576 /nfs/dbraw/zinc/00/75/76/547007576.db2.gz DKSKQEKONAPRQW-UHFFFAOYSA-N 0 3 368.415 1.000 20 5 FCBDHN O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639980 606102688 /nfs/dbraw/zinc/10/26/88/606102688.db2.gz OETNROMYQHUKCR-LBPRGKRZSA-N 0 3 359.390 0.933 20 5 FCBDHN C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824570927 608492068 /nfs/dbraw/zinc/49/20/68/608492068.db2.gz OQKVVRJYMRAPJG-QMTHXVAHSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570927 608492070 /nfs/dbraw/zinc/49/20/70/608492070.db2.gz OQKVVRJYMRAPJG-QMTHXVAHSA-N 0 3 358.362 0.683 20 5 FCBDHN CN1CCN(CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119530750 664199594 /nfs/dbraw/zinc/19/95/94/664199594.db2.gz AFPWHJFVFFECBQ-UHFFFAOYSA-N 0 3 362.477 0.962 20 5 FCBDHN CS(=O)(=O)CCN1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040701098 666613956 /nfs/dbraw/zinc/61/39/56/666613956.db2.gz TZHKPYOBKCJGHC-CHWSQXEVSA-N 0 3 359.448 0.011 20 5 FCBDHN O=C(NC1CCN(CC2CCS(=O)(=O)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789804 667561289 /nfs/dbraw/zinc/56/12/89/667561289.db2.gz XIHXSKTWCMUPII-ZIAGYGMSSA-N 0 3 359.448 0.057 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825888284 669472878 /nfs/dbraw/zinc/47/28/78/669472878.db2.gz WAUGCJOJFHEAQV-XJKSGUPXSA-N 0 3 350.419 0.770 20 5 FCBDHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826985455 669530666 /nfs/dbraw/zinc/53/06/66/669530666.db2.gz HBFRQLOSCGXVLR-HZPDHXFCSA-N 0 3 369.443 0.965 20 5 FCBDHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104055 669827559 /nfs/dbraw/zinc/82/75/59/669827559.db2.gz JGUULOVXIFRVOW-SNVBAGLBSA-N 0 3 373.387 0.474 20 5 FCBDHN COCCN1C(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2S1(=O)=O ZINC000813106963 669827576 /nfs/dbraw/zinc/82/75/76/669827576.db2.gz JAXPGUJJGLUZMP-SECBINFHSA-N 0 3 372.355 0.300 20 5 FCBDHN Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cn1C ZINC000813111088 669828216 /nfs/dbraw/zinc/82/82/16/669828216.db2.gz CDMIQPLFRNEPFN-JTQLQIEISA-N 0 3 374.419 0.338 20 5 FCBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(=O)NC2CCCC2)CC1 ZINC001045436169 675653562 /nfs/dbraw/zinc/65/35/62/675653562.db2.gz LDCSYTOJDRYPAP-ZIAGYGMSSA-N 0 3 352.435 0.681 20 5 FCBDHN CCn1nnc(C)c1CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764851 1186513588 /nfs/dbraw/zinc/51/35/88/1186513588.db2.gz HDLQZJFWOCWISK-ZIAGYGMSSA-N 0 3 362.434 0.696 20 5 FCBDHN O=C(N[C@H]1C[C@H](CNCc2nnc(-c3ccco3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983657688 1188250287 /nfs/dbraw/zinc/25/02/87/1188250287.db2.gz LLBAVVHTRMTEMY-DDHJBXDOSA-N 0 3 361.358 0.979 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nc(-c3ccco3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363325 1198327950 /nfs/dbraw/zinc/32/79/50/1198327950.db2.gz OCHFEHIRVSKZLR-DDHJBXDOSA-N 0 3 361.358 0.979 20 5 FCBDHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101532 1202990118 /nfs/dbraw/zinc/99/01/18/1202990118.db2.gz CYBAFLJTVJYXER-QMMMGPOBSA-N 0 3 360.334 0.073 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000819837709 1203172055 /nfs/dbraw/zinc/17/20/55/1203172055.db2.gz QFTQCDDSUPXNLF-AWEZNQCLSA-N 0 3 359.386 0.967 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861709987 1209875737 /nfs/dbraw/zinc/87/57/37/1209875737.db2.gz MOQPHWCVKSWQTO-HUUCEWRRSA-N 0 3 359.386 0.612 20 5 FCBDHN Cc1cc(CN2CCC3(CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO3)on1 ZINC000949092339 1212289066 /nfs/dbraw/zinc/28/90/66/1212289066.db2.gz VIUMSBQNEACUFZ-HUUCEWRRSA-N 0 3 364.402 0.842 20 5 FCBDHN Cc1cocc1C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055616372 1215891233 /nfs/dbraw/zinc/89/12/33/1215891233.db2.gz VFTZKBBVKFPCKP-UKRRQHHQSA-N 0 3 364.402 0.564 20 5 FCBDHN O=C(NCc1cnn2c1CN(CC1CCOCC1)CC2)[C@@H]1CC1[N+](=O)[O-] ZINC001069860690 1216806313 /nfs/dbraw/zinc/80/63/13/1216806313.db2.gz FBFXEOAANRDYRR-HUUCEWRRSA-N 0 3 363.418 0.407 20 5 FCBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCCc1c[nH]nn1 ZINC001067391819 1217403473 /nfs/dbraw/zinc/40/34/73/1217403473.db2.gz HCIOUNBIBGFWOF-ZIAGYGMSSA-N 0 3 366.422 0.490 20 5 FCBDHN Cc1ccc(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001055511299 1219063626 /nfs/dbraw/zinc/06/36/26/1219063626.db2.gz ZBUPQNYKZKZXIA-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN CN(CC1CC1)C(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160097455 1223145206 /nfs/dbraw/zinc/14/52/06/1223145206.db2.gz JVVKWWFGBYGYJR-HZPDHXFCSA-N 0 3 364.446 0.658 20 5 FCBDHN CCCNC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(COC)CC1 ZINC001162264836 1223212404 /nfs/dbraw/zinc/21/24/04/1223212404.db2.gz WPEBXBLCSQRJED-ZIAGYGMSSA-N 0 3 370.450 0.023 20 5 FCBDHN CCn1ncnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589365 1247905598 /nfs/dbraw/zinc/90/55/98/1247905598.db2.gz VQMCGCWNEJCCPS-LXTVHRRPSA-N 0 3 362.434 0.634 20 5 FCBDHN O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccn4cncc4c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483237 1248226869 /nfs/dbraw/zinc/22/68/69/1248226869.db2.gz LISUIPHWYKJCTI-QMIVOQANSA-N 0 3 355.354 0.186 20 5 FCBDHN CCCN1CC[C@H](NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001327974382 1265465199 /nfs/dbraw/zinc/46/51/99/1265465199.db2.gz QXCURQRVJZNCJW-ZDUSSCGKSA-N 0 3 364.402 0.820 20 5 FCBDHN O=C(NCC1CN(C(=O)c2ccn(-c3ccncc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809475 1252354449 /nfs/dbraw/zinc/35/44/49/1252354449.db2.gz XVUPUODMTHWRSG-UKRRQHHQSA-N 0 3 370.369 0.121 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CN2CCC1CC2 ZINC001336035579 1259953796 /nfs/dbraw/zinc/95/37/96/1259953796.db2.gz OPQGXSGIQADNDR-ZDUSSCGKSA-N 0 3 360.370 0.531 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001345305693 1261669587 /nfs/dbraw/zinc/66/95/87/1261669587.db2.gz WRIXEFZXMMBRSJ-AWEZNQCLSA-N 0 3 364.402 0.642 20 5 FCBDHN COC(=O)[C@@]1(O)CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001308032308 1263208154 /nfs/dbraw/zinc/20/81/54/1263208154.db2.gz FKQXUSITMJITGU-MRXNPFEDSA-N 0 3 367.358 0.542 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001321440953 1263962513 /nfs/dbraw/zinc/96/25/13/1263962513.db2.gz XSXITLMGHZSUKR-AWEZNQCLSA-N 0 3 364.406 0.122 20 5 FCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001322644509 1264234985 /nfs/dbraw/zinc/23/49/85/1264234985.db2.gz ATFQMNXDQRUEFW-MRXNPFEDSA-N 0 3 360.414 0.950 20 5 FCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001327436109 1265320536 /nfs/dbraw/zinc/32/05/36/1265320536.db2.gz ILIATRRDBBGQGZ-GJZGRUSLSA-N 0 3 362.386 0.190 20 5 FCBDHN COCCn1c(C[N+](=O)[O-])nnc1N1CCC(CN2CCOCC2)CC1 ZINC001514594145 1265362029 /nfs/dbraw/zinc/36/20/29/1265362029.db2.gz HZGNUFCPYVRLJH-UHFFFAOYSA-N 0 3 368.438 0.250 20 5 FCBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001344031619 1270079343 /nfs/dbraw/zinc/07/93/43/1270079343.db2.gz LZKNBXFOWGIYBJ-ZIAGYGMSSA-N 0 3 372.385 0.457 20 5 FCBDHN C[C@]1(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CNCCO1 ZINC001576518093 1273403128 /nfs/dbraw/zinc/40/31/28/1273403128.db2.gz SFZNBUSFNVYVNS-QGZVFWFLSA-N 0 3 359.386 0.948 20 5 FCBDHN CC[C@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604040164 1287559762 /nfs/dbraw/zinc/55/97/62/1287559762.db2.gz QCWHGCMTHPIVOL-GFCCVEGCSA-N 0 3 361.406 0.976 20 5 FCBDHN CC[C@@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604040170 1287560183 /nfs/dbraw/zinc/56/01/83/1287560183.db2.gz QCWHGCMTHPIVOL-LBPRGKRZSA-N 0 3 361.406 0.976 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001593483219 1286174666 /nfs/dbraw/zinc/17/46/66/1286174666.db2.gz MMXOKOQIOBSENK-AWEZNQCLSA-N 0 3 370.373 0.905 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001593483219 1286174668 /nfs/dbraw/zinc/17/46/68/1286174668.db2.gz MMXOKOQIOBSENK-AWEZNQCLSA-N 0 3 370.373 0.905 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593481762 1286174692 /nfs/dbraw/zinc/17/46/92/1286174692.db2.gz KNXNJVJTAJUXKF-CYBMUJFWSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593481762 1286174695 /nfs/dbraw/zinc/17/46/95/1286174695.db2.gz KNXNJVJTAJUXKF-CYBMUJFWSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593481762 1286174696 /nfs/dbraw/zinc/17/46/96/1286174696.db2.gz KNXNJVJTAJUXKF-CYBMUJFWSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593481762 1286174700 /nfs/dbraw/zinc/17/47/00/1286174700.db2.gz KNXNJVJTAJUXKF-CYBMUJFWSA-N 0 3 373.417 0.806 20 5 FCBDHN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CCc1c[nH]cn1 ZINC001688579259 1294510749 /nfs/dbraw/zinc/51/07/49/1294510749.db2.gz HJTKYHPOHBHAQL-HUUCEWRRSA-N 0 3 363.418 0.705 20 5 FCBDHN CNC(=O)CN1CCCC12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164685782 719728003 /nfs/dbraw/zinc/72/80/03/719728003.db2.gz NJKQZFUQCODZPM-UHFFFAOYSA-N 0 3 363.418 0.717 20 5 FCBDHN CC(C)Cn1ncnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083421 842118596 /nfs/dbraw/zinc/11/85/96/842118596.db2.gz YDLITNNIRNKTJX-XJFOESAGSA-N 0 3 350.423 0.584 20 5 FCBDHN CN(C(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001160090473 850153080 /nfs/dbraw/zinc/15/30/80/850153080.db2.gz IZPXRXAEADJFLW-HUUCEWRRSA-N 0 3 350.419 0.411 20 5 FCBDHN CS(=O)(=O)c1ccc(NCc2nnn3c2CNCCC3)c([N+](=O)[O-])c1 ZINC001162978959 850341114 /nfs/dbraw/zinc/34/11/14/850341114.db2.gz JIJQIOAPKLPKNR-UHFFFAOYSA-N 0 3 366.403 0.695 20 5 FCBDHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169020229 850601996 /nfs/dbraw/zinc/60/19/96/850601996.db2.gz KKNVPAPOPDOWAP-STQMWFEESA-N 0 3 371.463 0.583 20 5 FCBDHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169020227 850602239 /nfs/dbraw/zinc/60/22/39/850602239.db2.gz KKNVPAPOPDOWAP-QWHCGFSZSA-N 0 3 371.463 0.583 20 5 FCBDHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020223 850602618 /nfs/dbraw/zinc/60/26/18/850602618.db2.gz KKNVPAPOPDOWAP-CHWSQXEVSA-N 0 3 371.463 0.583 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261754058 858657543 /nfs/dbraw/zinc/65/75/43/858657543.db2.gz KVYPXPRWMMXEHK-AWEZNQCLSA-N 0 3 350.375 0.126 20 5 FCBDHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000292843936 214126882 /nfs/dbraw/zinc/12/68/82/214126882.db2.gz UZNGNJYNLQMGRU-UHFFFAOYSA-N 0 3 369.403 0.450 20 5 FCBDHN COC[C@@]1(C(=O)OC)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150306 214280513 /nfs/dbraw/zinc/28/05/13/214280513.db2.gz MADGXVSUQVEKGN-SUMWQHHRSA-N 0 3 368.386 0.846 20 5 FCBDHN Cc1nn(CCC(=O)N[C@H]2CCCN(CCCO)C2)c(C)c1[N+](=O)[O-] ZINC000295387705 214294413 /nfs/dbraw/zinc/29/44/13/214294413.db2.gz HJBASCDLWDNFTP-AWEZNQCLSA-N 0 3 353.423 0.761 20 5 FCBDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000265872067 210239638 /nfs/dbraw/zinc/23/96/38/210239638.db2.gz GWDNKWIDSVRMFH-UHFFFAOYSA-N 0 3 370.793 0.760 20 5 FCBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000188076315 529958315 /nfs/dbraw/zinc/95/83/15/529958315.db2.gz NVCZJJPUPZWHDM-SFHVURJKSA-N 0 3 373.413 0.887 20 5 FCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000192694586 209302773 /nfs/dbraw/zinc/30/27/73/209302773.db2.gz KRLBTJBTRDQIAG-ZDUSSCGKSA-N 0 3 350.423 0.862 20 5 FCBDHN CC[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000368659913 216277878 /nfs/dbraw/zinc/27/78/78/216277878.db2.gz PSULVXXQSJSBEC-OAHLLOKOSA-N 0 3 370.431 0.522 20 5 FCBDHN O=Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150137 216355508 /nfs/dbraw/zinc/35/55/08/216355508.db2.gz HMPCGBJSZYQRTK-KGLIPLIRSA-N 0 3 363.370 0.766 20 5 FCBDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369360655 216389822 /nfs/dbraw/zinc/38/98/22/216389822.db2.gz XUMJPIDOPUPOFT-CQSZACIVSA-N 0 3 368.459 0.995 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)NCCN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000276900928 212304677 /nfs/dbraw/zinc/30/46/77/212304677.db2.gz OYDOLAQIJWJPOL-UHFFFAOYSA-N 0 3 352.347 0.306 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000276083605 212155906 /nfs/dbraw/zinc/15/59/06/212155906.db2.gz GPQVPWMGNRCJQR-LLVKDONJSA-N 0 3 371.415 0.954 20 5 FCBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275601112 212058305 /nfs/dbraw/zinc/05/83/05/212058305.db2.gz KUDKZWDDBFXNNV-NXEZZACHSA-N 0 3 364.358 0.896 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183425879 209146908 /nfs/dbraw/zinc/14/69/08/209146908.db2.gz JGQCBDPOGUMFHT-INIZCTEOSA-N 0 3 373.413 0.983 20 5 FCBDHN NS(=O)(=O)c1cccc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000376295740 217381317 /nfs/dbraw/zinc/38/13/17/217381317.db2.gz ILFVYYAHYKDHDE-LBPRGKRZSA-N 0 3 370.431 0.907 20 5 FCBDHN [NH3+]CC1(CC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423211596 246978689 /nfs/dbraw/zinc/97/86/89/246978689.db2.gz IUYBEVKUXNICOL-UHFFFAOYSA-N 0 3 356.404 0.118 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]2N)cn1 ZINC000424229467 247181230 /nfs/dbraw/zinc/18/12/30/247181230.db2.gz XGUAESMZJHRHFI-QWHCGFSZSA-N 0 3 355.358 0.772 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]1)OCCO2 ZINC000440802693 248215519 /nfs/dbraw/zinc/21/55/19/248215519.db2.gz DWKRYTGHUZQANP-SNVBAGLBSA-N 0 3 357.388 0.786 20 5 FCBDHN COC(=O)CNC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504433 248191411 /nfs/dbraw/zinc/19/14/11/248191411.db2.gz WVUSDGNQEKACRF-LLVKDONJSA-N 0 3 351.363 0.155 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000443293670 248319679 /nfs/dbraw/zinc/31/96/79/248319679.db2.gz JZFSDKSRNCTPIO-UHFFFAOYSA-N 0 3 373.431 0.586 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452348697 249309142 /nfs/dbraw/zinc/30/91/42/249309142.db2.gz LPBDCIKVXZKLRG-AWEZNQCLSA-N 0 3 374.401 0.752 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453581718 249346572 /nfs/dbraw/zinc/34/65/72/249346572.db2.gz AVRLCNIZXBTCAJ-INIZCTEOSA-N 0 3 351.359 0.905 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270889451 211292895 /nfs/dbraw/zinc/29/28/95/211292895.db2.gz QAWDVDYDEFVAQA-WBVHZDCISA-N 0 3 373.413 0.791 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000473997038 250260989 /nfs/dbraw/zinc/26/09/89/250260989.db2.gz TZKQWXVSDFNHRD-MRXNPFEDSA-N 0 3 353.375 0.303 20 5 FCBDHN CN1CCN(CC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000057066636 208004276 /nfs/dbraw/zinc/00/42/76/208004276.db2.gz XPSGMTGEFSEFEV-UHFFFAOYSA-N 0 3 350.423 0.277 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(CC2CCOCC2)CC1 ZINC000172459540 208907488 /nfs/dbraw/zinc/90/74/88/208907488.db2.gz OKEVVCLXULRDEU-UHFFFAOYSA-N 0 3 351.407 0.752 20 5 FCBDHN O=C(NCC1CC1)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173534466 229209980 /nfs/dbraw/zinc/20/99/80/229209980.db2.gz MNSJLAQZXSUTFB-DZGCQCFKSA-N 0 3 351.407 0.390 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000174765608 229213142 /nfs/dbraw/zinc/21/31/42/229213142.db2.gz XQKDQVGDJVNOJC-HNNXBMFYSA-N 0 3 364.406 0.221 20 5 FCBDHN Cc1cc(S(=O)(=O)NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000178698208 229224734 /nfs/dbraw/zinc/22/47/34/229224734.db2.gz UREIFTASOFLWCG-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN CCN1CCN(CCCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299665838 488865003 /nfs/dbraw/zinc/86/50/03/488865003.db2.gz XFOLBHYVQZLOKN-UHFFFAOYSA-N 0 3 352.439 0.634 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000278362885 488870679 /nfs/dbraw/zinc/87/06/79/488870679.db2.gz JNWPGOALIMPZEK-PHIMTYICSA-N 0 3 369.399 0.564 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691742 488875027 /nfs/dbraw/zinc/87/50/27/488875027.db2.gz LDZMLZFNDWBYAG-RYUDHWBXSA-N 0 3 363.370 0.959 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288261026 488963205 /nfs/dbraw/zinc/96/32/05/488963205.db2.gz BXWNJXUWNQTGCW-GFCCVEGCSA-N 0 3 374.401 0.688 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000053274966 488195753 /nfs/dbraw/zinc/19/57/53/488195753.db2.gz CESUJAXKOTWSDG-CYBMUJFWSA-N 0 3 362.386 0.921 20 5 FCBDHN CC(C)N(C)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063583305 488306306 /nfs/dbraw/zinc/30/63/06/488306306.db2.gz CYVLAZBMIWIHDL-UHFFFAOYSA-N 0 3 358.420 0.330 20 5 FCBDHN CNc1nc(C(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000569782990 491191093 /nfs/dbraw/zinc/19/10/93/491191093.db2.gz CCHISPBHTJDGEX-UHFFFAOYSA-N 0 3 350.423 0.789 20 5 FCBDHN COCCN(C)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136965 488344710 /nfs/dbraw/zinc/34/47/10/488344710.db2.gz DBDSVCPEEYIZJO-UHFFFAOYSA-N 0 3 362.390 0.874 20 5 FCBDHN C[C@@H]1CN(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644920 488398036 /nfs/dbraw/zinc/39/80/36/488398036.db2.gz WBERQHGAROLFNH-CJNGLKHVSA-N 0 3 353.423 0.337 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000080881590 488437895 /nfs/dbraw/zinc/43/78/95/488437895.db2.gz LZMUJKPYJFOGAW-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269073815 488467106 /nfs/dbraw/zinc/46/71/06/488467106.db2.gz HMNWTBHBRGCIIN-NSHDSACASA-N 0 3 356.404 0.165 20 5 FCBDHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269092847 488468464 /nfs/dbraw/zinc/46/84/64/488468464.db2.gz PCPDRULQQIQBRD-ZDUSSCGKSA-N 0 3 356.404 0.165 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000101696807 488496270 /nfs/dbraw/zinc/49/62/70/488496270.db2.gz NVKVGCBRONVKGM-CYBMUJFWSA-N 0 3 366.422 0.159 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261742276 488533569 /nfs/dbraw/zinc/53/35/69/488533569.db2.gz KTQGYDANIUYZKW-CQSZACIVSA-N 0 3 374.401 0.922 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271844008 488549374 /nfs/dbraw/zinc/54/93/74/488549374.db2.gz RLYILDLJWREDEG-UHFFFAOYSA-N 0 3 362.386 0.711 20 5 FCBDHN [NH3+][C@H]1CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262263112 488560209 /nfs/dbraw/zinc/56/02/09/488560209.db2.gz GXHQQWNGOQXNTK-NEPJUHHUSA-N 0 3 370.431 0.507 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000120688076 488562730 /nfs/dbraw/zinc/56/27/30/488562730.db2.gz GTMMWJMVJTWMOH-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN Cc1c(C(=O)N2C[C@H](C)NC[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000272546475 488587755 /nfs/dbraw/zinc/58/77/55/488587755.db2.gz KCSAJFCMYGIGGA-IUCAKERBSA-N 0 3 356.404 0.373 20 5 FCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262821774 488595287 /nfs/dbraw/zinc/59/52/87/488595287.db2.gz SQENJPQASBWBRM-VHSXEESVSA-N 0 3 352.416 0.995 20 5 FCBDHN C[C@H]1NCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262889470 488598118 /nfs/dbraw/zinc/59/81/18/488598118.db2.gz WUZCQAQLXWVKEY-VXGBXAGGSA-N 0 3 370.431 0.424 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272852192 488611394 /nfs/dbraw/zinc/61/13/94/488611394.db2.gz QXUJBMBLYNRVDS-ZBFHGGJFSA-N 0 3 350.375 0.517 20 5 FCBDHN COCCN(C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000273073199 488629815 /nfs/dbraw/zinc/62/98/15/488629815.db2.gz NQUVNXMBRNUHIM-UHFFFAOYSA-N 0 3 352.391 0.327 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000133377487 488659316 /nfs/dbraw/zinc/65/93/16/488659316.db2.gz SVVHXEBVNCFWRJ-ZDUSSCGKSA-N 0 3 352.439 0.490 20 5 FCBDHN O=C1NCCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000135403663 488672254 /nfs/dbraw/zinc/67/22/54/488672254.db2.gz PQTYBYADNFGIGX-AWEZNQCLSA-N 0 3 352.395 0.032 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264476928 488677782 /nfs/dbraw/zinc/67/77/82/488677782.db2.gz HDVDAGTUJMMMKO-CQSZACIVSA-N 0 3 364.402 0.552 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151618721 488707961 /nfs/dbraw/zinc/70/79/61/488707961.db2.gz DMOCOPQCGPFGDJ-AWEZNQCLSA-N 0 3 361.402 0.437 20 5 FCBDHN CC(C)OCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000266983053 488750486 /nfs/dbraw/zinc/75/04/86/488750486.db2.gz GJHUTNXCTCPPHQ-UHFFFAOYSA-N 0 3 366.418 0.762 20 5 FCBDHN CCCc1n[nH]c(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000159685567 488786986 /nfs/dbraw/zinc/78/69/86/488786986.db2.gz QLBRRMYHLXNSMH-UHFFFAOYSA-N 0 3 352.439 0.980 20 5 FCBDHN CCCc1[nH]nc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000159685567 488786987 /nfs/dbraw/zinc/78/69/87/488786987.db2.gz QLBRRMYHLXNSMH-UHFFFAOYSA-N 0 3 352.439 0.980 20 5 FCBDHN Cc1nn(CCC(=O)NCC2CCN(CCO)CC2)c(C)c1[N+](=O)[O-] ZINC000160728631 488793278 /nfs/dbraw/zinc/79/32/78/488793278.db2.gz SVFODIQGLWVNCV-UHFFFAOYSA-N 0 3 353.423 0.619 20 5 FCBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554867484 491229570 /nfs/dbraw/zinc/22/95/70/491229570.db2.gz RRJIMUDTTBFCQN-UHFFFAOYSA-N 0 3 359.390 0.655 20 5 FCBDHN O=C(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000570323050 491233997 /nfs/dbraw/zinc/23/39/97/491233997.db2.gz QBDYATRJHZMXCH-CYBMUJFWSA-N 0 3 353.375 0.173 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283142443 489219544 /nfs/dbraw/zinc/21/95/44/489219544.db2.gz UQBZALGMXQWIST-QMMMGPOBSA-N 0 3 357.344 0.369 20 5 FCBDHN C[C@@H](CO)N1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966768 489223467 /nfs/dbraw/zinc/22/34/67/489223467.db2.gz RCNFDQUYGOGEKS-LSDHHAIUSA-N 0 3 353.419 0.723 20 5 FCBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831817 489280119 /nfs/dbraw/zinc/28/01/19/489280119.db2.gz WISZDYJCRXCZGR-UKRRQHHQSA-N 0 3 374.401 0.898 20 5 FCBDHN CCN(CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000286102876 489356993 /nfs/dbraw/zinc/35/69/93/489356993.db2.gz VPMHLSVZYMLHML-UHFFFAOYSA-N 0 3 374.401 0.688 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000370421137 489357603 /nfs/dbraw/zinc/35/76/03/489357603.db2.gz CWRAHUQVBSOTMG-HNNXBMFYSA-N 0 3 364.450 0.808 20 5 FCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000370767126 489399307 /nfs/dbraw/zinc/39/93/07/489399307.db2.gz RRKHXOITLVIDBM-MRXNPFEDSA-N 0 3 350.350 0.581 20 5 FCBDHN CC(C)[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000423213171 489503290 /nfs/dbraw/zinc/50/32/90/489503290.db2.gz KZFWQVNFPWFTFN-BXUZGUMPSA-N 0 3 372.447 0.609 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N2CCCNCC2)c(C)c([N+](=O)[O-])c1 ZINC000415311020 489514882 /nfs/dbraw/zinc/51/48/82/489514882.db2.gz AFGOPKIFFJYXBU-UHFFFAOYSA-N 0 3 364.358 0.450 20 5 FCBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451671932 489516670 /nfs/dbraw/zinc/51/66/70/489516670.db2.gz ZXWLGXDMHOOYPX-IJEWVQPXSA-N 0 3 353.419 0.721 20 5 FCBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454731678 489576836 /nfs/dbraw/zinc/57/68/36/489576836.db2.gz ZVGBYCKQJVNMJY-UHFFFAOYSA-N 0 3 350.423 0.789 20 5 FCBDHN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000428434034 489648143 /nfs/dbraw/zinc/64/81/43/489648143.db2.gz VIJNUBTUHIYCNP-UHFFFAOYSA-N 0 3 356.404 0.085 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000474362477 489757143 /nfs/dbraw/zinc/75/71/43/489757143.db2.gz OCHMHRNQXZFKAZ-CYBMUJFWSA-N 0 3 367.402 0.957 20 5 FCBDHN COC(=O)COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000474375980 489758753 /nfs/dbraw/zinc/75/87/53/489758753.db2.gz VMSMVJNIBUBRLC-CYBMUJFWSA-N 0 3 351.359 0.857 20 5 FCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000435003849 489973527 /nfs/dbraw/zinc/97/35/27/489973527.db2.gz OEWGKGQDJDNJLF-MRXNPFEDSA-N 0 3 366.418 0.548 20 5 FCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420437919 489976440 /nfs/dbraw/zinc/97/64/40/489976440.db2.gz KNZGFYUTPLEEKN-URLYPYJESA-N 0 3 362.205 0.853 20 5 FCBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420588832 489999692 /nfs/dbraw/zinc/99/96/92/489999692.db2.gz SOYKYGWWLSQDPM-UHFFFAOYSA-N 0 3 361.402 0.438 20 5 FCBDHN CC[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000378224574 490030700 /nfs/dbraw/zinc/03/07/00/490030700.db2.gz LCFSLDKNAKFAKK-OAHLLOKOSA-N 0 3 370.431 0.379 20 5 FCBDHN Cc1cc(=O)c(C(=O)N2CCO[C@@H](CN)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000478717461 490033276 /nfs/dbraw/zinc/03/32/76/490033276.db2.gz ITELEUBWBUHNPS-LBPRGKRZSA-N 0 3 373.369 0.249 20 5 FCBDHN COc1ccc(OCCN2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227168 491295531 /nfs/dbraw/zinc/29/55/31/491295531.db2.gz KOFCUDYUKUCGKP-WCQYABFASA-N 0 3 350.375 0.226 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321718 490049158 /nfs/dbraw/zinc/04/91/58/490049158.db2.gz UKAAVDUVLWBCRF-ZFWWWQNUSA-N 0 3 360.418 0.393 20 5 FCBDHN COCCCN(C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465108405 490082308 /nfs/dbraw/zinc/08/23/08/490082308.db2.gz CMASXBFLVQQIHP-UHFFFAOYSA-N 0 3 367.402 0.993 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546776972 490243429 /nfs/dbraw/zinc/24/34/29/490243429.db2.gz XSRZLFJPIIXDTG-UHFFFAOYSA-N 0 3 358.464 0.850 20 5 FCBDHN N[C@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498216609 490272518 /nfs/dbraw/zinc/27/25/18/490272518.db2.gz PVNNIVMFJYFHCL-GFCCVEGCSA-N 0 3 356.329 0.862 20 5 FCBDHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000521853314 490303392 /nfs/dbraw/zinc/30/33/92/490303392.db2.gz RFDOPIVVGWRMNS-HNNXBMFYSA-N 0 3 364.402 0.742 20 5 FCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712478 490333420 /nfs/dbraw/zinc/33/34/20/490333420.db2.gz ZQWOIDKGYQCYAO-SMDDNHRTSA-N 0 3 374.397 0.919 20 5 FCBDHN CCN(C)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498741065 490333731 /nfs/dbraw/zinc/33/37/31/490333731.db2.gz RVFHFKPLJUJYIG-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN1CC[C@@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000468841267 490455374 /nfs/dbraw/zinc/45/53/74/490455374.db2.gz FIOPCNPVNDYLSJ-NSHDSACASA-N 0 3 360.370 0.930 20 5 FCBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000523482366 490470034 /nfs/dbraw/zinc/47/00/34/490470034.db2.gz VJWQGCSWJKOYKR-UHFFFAOYSA-N 0 3 355.395 0.523 20 5 FCBDHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422829805 490482038 /nfs/dbraw/zinc/48/20/38/490482038.db2.gz UXRPJFXHLMTUSJ-QWRGUYRKSA-N 0 3 356.404 0.082 20 5 FCBDHN C[C@H]1CC[NH2+]CC[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980076 490510403 /nfs/dbraw/zinc/51/04/03/490510403.db2.gz KRMDBAGIOYDDJW-STQMWFEESA-N 0 3 356.448 0.851 20 5 FCBDHN COc1ccc(CNC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000524934237 490570534 /nfs/dbraw/zinc/57/05/34/490570534.db2.gz IDBUCTDYDIUNPW-UHFFFAOYSA-N 0 3 352.391 0.859 20 5 FCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000537962129 490703308 /nfs/dbraw/zinc/70/33/08/490703308.db2.gz LQLWDVLMDGDKQV-FZMZJTMJSA-N 0 3 371.415 0.715 20 5 FCBDHN CNC(=O)[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502866887 490725994 /nfs/dbraw/zinc/72/59/94/490725994.db2.gz UBWLZWNEIXNRTK-ZIAGYGMSSA-N 0 3 355.416 0.873 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513831879 490750695 /nfs/dbraw/zinc/75/06/95/490750695.db2.gz ZRPCJUHXJKSHLU-UHFFFAOYSA-N 0 3 371.415 0.185 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000515339353 490819688 /nfs/dbraw/zinc/81/96/88/490819688.db2.gz HPUIFACFDIJVFY-STQMWFEESA-N 0 3 359.386 0.553 20 5 FCBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000515646999 490834078 /nfs/dbraw/zinc/83/40/78/490834078.db2.gz GZYDYOFWPLJGBQ-SECBINFHSA-N 0 3 356.766 0.083 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000515814813 490839255 /nfs/dbraw/zinc/83/92/55/490839255.db2.gz SQPPXLQCUYQOKR-INIZCTEOSA-N 0 3 353.375 0.799 20 5 FCBDHN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000565207845 491360626 /nfs/dbraw/zinc/36/06/26/491360626.db2.gz YDGIETOFWVAPHF-SECBINFHSA-N 0 3 358.345 0.598 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240246 491364088 /nfs/dbraw/zinc/36/40/88/491364088.db2.gz UAAQARURAJBTMG-KOLCDFICSA-N 0 3 372.303 0.998 20 5 FCBDHN CCNC(=O)N1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000517925334 490924828 /nfs/dbraw/zinc/92/48/28/490924828.db2.gz DMDBJYUCDLESED-TZMCWYRMSA-N 0 3 352.391 0.728 20 5 FCBDHN CCNC(=O)N1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000517925331 490925038 /nfs/dbraw/zinc/92/50/38/490925038.db2.gz DMDBJYUCDLESED-GXTWGEPZSA-N 0 3 352.391 0.728 20 5 FCBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000531758255 490972750 /nfs/dbraw/zinc/97/27/50/490972750.db2.gz BKPZZWUBXYTWHM-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000569528050 491166340 /nfs/dbraw/zinc/16/63/40/491166340.db2.gz OMYSIMNLYMXSPO-BXUZGUMPSA-N 0 3 353.375 0.607 20 5 FCBDHN COC1CCN(C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000557470329 491376334 /nfs/dbraw/zinc/37/63/34/491376334.db2.gz ALPKCAFOIBPVEO-UHFFFAOYSA-N 0 3 366.418 0.762 20 5 FCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1Cc2ccccc2C1 ZINC000566124268 491418858 /nfs/dbraw/zinc/41/88/58/491418858.db2.gz WHDZWMRDIPQPGS-LRDDRELGSA-N 0 3 359.386 0.673 20 5 FCBDHN O=C(CCNC[C@@H](O)CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566231945 491427918 /nfs/dbraw/zinc/42/79/18/491427918.db2.gz WGFDIIVEZWYMGM-CYBMUJFWSA-N 0 3 352.391 0.206 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]2N)cn1 ZINC000567159774 491488994 /nfs/dbraw/zinc/48/89/94/491488994.db2.gz LZMNFEJFHMRLST-NWDGAFQWSA-N 0 3 359.342 0.624 20 5 FCBDHN CNc1nccc(C(=O)NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000567625333 491518742 /nfs/dbraw/zinc/51/87/42/491518742.db2.gz LVDSLVBVGVMXST-UHFFFAOYSA-N 0 3 374.401 1.297 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000567675052 491522161 /nfs/dbraw/zinc/52/21/61/491522161.db2.gz YQWQIKWFNNQGAN-QWRGUYRKSA-N 0 3 368.415 0.366 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccn1 ZINC000567710477 491524113 /nfs/dbraw/zinc/52/41/13/491524113.db2.gz LPRBKCDRYJRFRJ-HZPDHXFCSA-N 0 3 374.401 0.328 20 5 FCBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1CCN(CCO)CC1 ZINC000567783735 491529435 /nfs/dbraw/zinc/52/94/35/491529435.db2.gz MKZOLRGXMSFHPD-UHFFFAOYSA-N 0 3 354.455 0.922 20 5 FCBDHN Cc1n[nH]c(C(=O)NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000560771695 491556817 /nfs/dbraw/zinc/55/68/17/491556817.db2.gz WRHSNILRMYBVDB-UHFFFAOYSA-N 0 3 352.395 0.348 20 5 FCBDHN NC[C@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000584400734 491587313 /nfs/dbraw/zinc/58/73/13/491587313.db2.gz VENHULIJYSXBHT-HNNXBMFYSA-N 0 3 364.402 0.724 20 5 FCBDHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577072245 491587311 /nfs/dbraw/zinc/58/73/11/491587311.db2.gz NOSXARHBFOYXNE-AWEZNQCLSA-N 0 3 358.398 0.786 20 5 FCBDHN COc1cc(C(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000568870812 491615596 /nfs/dbraw/zinc/61/55/96/491615596.db2.gz IXDYTYJXDTYEQG-QMMMGPOBSA-N 0 3 361.301 0.923 20 5 FCBDHN CO[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000568985185 491624287 /nfs/dbraw/zinc/62/42/87/491624287.db2.gz JVSOQOWZZYQKSF-ZIAGYGMSSA-N 0 3 357.432 0.807 20 5 FCBDHN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NCCN(C)C ZINC000576671381 491634651 /nfs/dbraw/zinc/63/46/51/491634651.db2.gz GQSMLLIYVDKXHL-LBPRGKRZSA-N 0 3 374.401 0.577 20 5 FCBDHN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NCCN(C)C ZINC000576671380 491634659 /nfs/dbraw/zinc/63/46/59/491634659.db2.gz GQSMLLIYVDKXHL-GFCCVEGCSA-N 0 3 374.401 0.577 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000569224741 491642988 /nfs/dbraw/zinc/64/29/88/491642988.db2.gz XSUZAPYFJRACAK-SWHYSGLUSA-N 0 3 352.391 0.537 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000579113017 491691288 /nfs/dbraw/zinc/69/12/88/491691288.db2.gz BPBWZSOXUDFYGL-GXTWGEPZSA-N 0 3 358.416 0.749 20 5 FCBDHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000579615197 491701671 /nfs/dbraw/zinc/70/16/71/491701671.db2.gz AIWZFQFAMZPLOV-CMPLNLGQSA-N 0 3 367.793 0.431 20 5 FCBDHN C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581140980 491761068 /nfs/dbraw/zinc/76/10/68/491761068.db2.gz TZZCJPGVJNEFNH-GHMZBOCLSA-N 0 3 356.404 0.211 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000581499874 491775424 /nfs/dbraw/zinc/77/54/24/491775424.db2.gz VLNKSLJLKLTTLJ-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN Nc1n[nH]c(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000590601445 491780766 /nfs/dbraw/zinc/78/07/66/491780766.db2.gz XBUNDGUIPSQHHE-LBPRGKRZSA-N 0 3 362.390 0.914 20 5 FCBDHN COc1cc(C[NH2+]CCCN2CCCS2(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000591259260 491800354 /nfs/dbraw/zinc/80/03/54/491800354.db2.gz HMRVRUZJPUOJSC-UHFFFAOYSA-N 0 3 359.404 0.824 20 5 FCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582551025 491817413 /nfs/dbraw/zinc/81/74/13/491817413.db2.gz JPNTXXCJCSISMW-DGCLKSJQSA-N 0 3 370.431 0.935 20 5 FCBDHN CN(CC(=O)N1CCNCC1(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591677785 491818456 /nfs/dbraw/zinc/81/84/56/491818456.db2.gz DHATXWUQJKEXPB-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN O=C([C@@H]1CNCCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675630 491818482 /nfs/dbraw/zinc/81/84/82/491818482.db2.gz PIHUWFONSKCMHX-LBPRGKRZSA-N 0 3 355.345 0.883 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3nnnn3CC2)cc1 ZINC000591771695 491823374 /nfs/dbraw/zinc/82/33/74/491823374.db2.gz KAQUTSIFERFVHR-NSHDSACASA-N 0 3 366.403 0.350 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000582794851 491827222 /nfs/dbraw/zinc/82/72/22/491827222.db2.gz JCIULAUTPGVOFM-STQMWFEESA-N 0 3 351.359 0.042 20 5 FCBDHN COc1c(F)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000582849417 491829390 /nfs/dbraw/zinc/82/93/90/491829390.db2.gz VBBZKORNAJDCQQ-SECBINFHSA-N 0 3 362.383 0.006 20 5 FCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1OC ZINC000583258524 491841081 /nfs/dbraw/zinc/84/10/81/491841081.db2.gz ZXLCDTDFRUZUQV-CYBMUJFWSA-N 0 3 366.374 0.968 20 5 FCBDHN NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000583318718 491842187 /nfs/dbraw/zinc/84/21/87/491842187.db2.gz DLRQPWJYKIQDKY-UHFFFAOYSA-N 0 3 368.415 0.309 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000583390673 491843891 /nfs/dbraw/zinc/84/38/91/491843891.db2.gz YDPDOUQTNMFFPW-GJZGRUSLSA-N 0 3 359.386 0.742 20 5 FCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1NC(C)=O ZINC000584286860 491862239 /nfs/dbraw/zinc/86/22/39/491862239.db2.gz KWPHJIUHYXUIIE-AWEZNQCLSA-N 0 3 363.374 0.909 20 5 FCBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594877381 491870306 /nfs/dbraw/zinc/87/03/06/491870306.db2.gz PBTYERUCVLTJFS-VHRBIJSZSA-N 0 3 364.427 0.846 20 5 FCBDHN CC[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595268665 491909692 /nfs/dbraw/zinc/90/96/92/491909692.db2.gz LJQCHAAPHUURKA-KKUMJFAQSA-N 0 3 361.402 0.999 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CCN([C@H]2CCOC2)CC1 ZINC000595568954 491943201 /nfs/dbraw/zinc/94/32/01/491943201.db2.gz YTUVJKAMGRGWJH-ZDUSSCGKSA-N 0 3 352.395 0.344 20 5 FCBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000595949182 491963891 /nfs/dbraw/zinc/96/38/91/491963891.db2.gz WBNSIEZRHOFJDX-UHFFFAOYSA-N 0 3 361.314 0.250 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596106790 491975520 /nfs/dbraw/zinc/97/55/20/491975520.db2.gz HBTPZXFDTSPRBI-UHFFFAOYSA-N 0 3 363.418 0.684 20 5 FCBDHN NC(=O)c1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000596174165 491978209 /nfs/dbraw/zinc/97/82/09/491978209.db2.gz BSBQTJULNGOZBK-HNNXBMFYSA-N 0 3 361.402 0.612 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000604573282 492063657 /nfs/dbraw/zinc/06/36/57/492063657.db2.gz BJLLHYZNGLKLNC-HNNXBMFYSA-N 0 3 351.407 0.895 20 5 FCBDHN COc1ccc(CC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598183767 492087872 /nfs/dbraw/zinc/08/78/72/492087872.db2.gz ASCVPERDBMIPMQ-UHFFFAOYSA-N 0 3 366.418 0.624 20 5 FCBDHN CC(C)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1 ZINC000598578069 492105191 /nfs/dbraw/zinc/10/51/91/492105191.db2.gz YLCXVGVFPBONDC-LBPRGKRZSA-N 0 3 360.370 0.647 20 5 FCBDHN CC(C)[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000598576344 492105253 /nfs/dbraw/zinc/10/52/53/492105253.db2.gz RHGFNWMWBPEYHS-ZDUSSCGKSA-N 0 3 362.386 0.777 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598721545 492116029 /nfs/dbraw/zinc/11/60/29/492116029.db2.gz XCCFWDGMZGJDNB-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN CCOc1cc(N2CCN(c3nc(N)nc(N)n3)CC2)ccc1[N+](=O)[O-] ZINC000599079745 492134210 /nfs/dbraw/zinc/13/42/10/492134210.db2.gz NMVVTFVADJKYLZ-UHFFFAOYSA-N 0 3 360.378 0.330 20 5 FCBDHN COCCN(C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000608891433 492195266 /nfs/dbraw/zinc/19/52/66/492195266.db2.gz DNOMUCXHFPFJTM-UHFFFAOYSA-N 0 3 362.390 0.792 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000609157895 492199267 /nfs/dbraw/zinc/19/92/67/492199267.db2.gz CADTXNFWKVRTTJ-UHFFFAOYSA-N 0 3 374.463 0.717 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609382297 492207375 /nfs/dbraw/zinc/20/73/75/492207375.db2.gz AHYCQVHCPBKHNJ-LBPRGKRZSA-N 0 3 372.381 0.791 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609837808 492223986 /nfs/dbraw/zinc/22/39/86/492223986.db2.gz GIPYAFHMZSQKOZ-UHFFFAOYSA-N 0 3 365.386 0.943 20 5 FCBDHN COc1cc(CNC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000610271170 492241290 /nfs/dbraw/zinc/24/12/90/492241290.db2.gz BAYRCOBEIUHUMH-INIZCTEOSA-N 0 3 355.391 0.482 20 5 FCBDHN CC1CCN(C[C@@H](O)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161538568 528249761 /nfs/dbraw/zinc/24/97/61/528249761.db2.gz XWFIADIHJDWDHC-AWEZNQCLSA-N 0 3 354.411 0.183 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000441840443 536738410 /nfs/dbraw/zinc/73/84/10/536738410.db2.gz ACFMCCONESCPHX-UHFFFAOYSA-N 0 3 354.363 0.236 20 5 FCBDHN CC(C)(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000591735587 546939292 /nfs/dbraw/zinc/93/92/92/546939292.db2.gz PCKLVJYKSAFWJU-GFCCVEGCSA-N 0 3 361.420 0.252 20 5 FCBDHN CC(C)(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000591735628 546939323 /nfs/dbraw/zinc/93/93/23/546939323.db2.gz XQADNLIHDADZGU-NSHDSACASA-N 0 3 361.420 0.252 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000592474220 546950804 /nfs/dbraw/zinc/95/08/04/546950804.db2.gz BHCRIVLROVJUOE-NEPJUHHUSA-N 0 3 368.415 0.226 20 5 FCBDHN COc1ccc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000594822187 547013937 /nfs/dbraw/zinc/01/39/37/547013937.db2.gz RUSNICLUERWHQP-UHFFFAOYSA-N 0 3 374.463 0.765 20 5 FCBDHN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552308257 547325335 /nfs/dbraw/zinc/32/53/35/547325335.db2.gz NAZGOMGQKGHPDZ-LBPRGKRZSA-N 0 3 351.407 0.579 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737745603 598374638 /nfs/dbraw/zinc/37/46/38/598374638.db2.gz PYXTXJYHRONYHT-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737745603 598374640 /nfs/dbraw/zinc/37/46/40/598374640.db2.gz PYXTXJYHRONYHT-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737745603 598374642 /nfs/dbraw/zinc/37/46/42/598374642.db2.gz PYXTXJYHRONYHT-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737745603 598374644 /nfs/dbraw/zinc/37/46/44/598374644.db2.gz PYXTXJYHRONYHT-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613235 599303791 /nfs/dbraw/zinc/30/37/91/599303791.db2.gz DCTNLHBGRIWLSC-CQSZACIVSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613235 599303793 /nfs/dbraw/zinc/30/37/93/599303793.db2.gz DCTNLHBGRIWLSC-CQSZACIVSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613235 599303796 /nfs/dbraw/zinc/30/37/96/599303796.db2.gz DCTNLHBGRIWLSC-CQSZACIVSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613235 599303800 /nfs/dbraw/zinc/30/38/00/599303800.db2.gz DCTNLHBGRIWLSC-CQSZACIVSA-N 0 3 358.362 0.464 20 5 FCBDHN CN(C(=O)c1nc[nH]c1C(F)(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954548953 674498927 /nfs/dbraw/zinc/49/89/27/674498927.db2.gz YAOIMUAUIJSYRC-HTQZYQBOSA-N 0 3 361.280 0.377 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826500781 608534202 /nfs/dbraw/zinc/53/42/02/608534202.db2.gz MALDXJOUGKCXPO-AWEZNQCLSA-N 0 3 370.373 0.611 20 5 FCBDHN CCOc1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000997777509 667175552 /nfs/dbraw/zinc/17/55/52/667175552.db2.gz VJTKHGLVVVDMTL-VXGBXAGGSA-N 0 3 369.447 0.930 20 5 FCBDHN CS(=O)(=O)CCN1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186693 667775211 /nfs/dbraw/zinc/77/52/11/667775211.db2.gz JPPOXRBSQPSHBL-CHWSQXEVSA-N 0 3 359.448 0.011 20 5 FCBDHN O=C1NC2(CO1)CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000784455678 668658382 /nfs/dbraw/zinc/65/83/82/668658382.db2.gz XHMZTHAVULQMPN-LBPRGKRZSA-N 0 3 351.359 0.909 20 5 FCBDHN COCCN1C(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2S1(=O)=O ZINC000813106964 669827606 /nfs/dbraw/zinc/82/76/06/669827606.db2.gz JAXPGUJJGLUZMP-VIFPVBQESA-N 0 3 372.355 0.300 20 5 FCBDHN CC(COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113075 669828076 /nfs/dbraw/zinc/82/80/76/669828076.db2.gz ADHPTTBFBKQPCD-QWRGUYRKSA-N 0 3 359.379 0.711 20 5 FCBDHN O=C(NCCNCc1ccn(CCc2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936584 1194607560 /nfs/dbraw/zinc/60/75/60/1194607560.db2.gz MEBMHJIKJDKFJF-IAGOWNOFSA-N 0 3 357.414 0.997 20 5 FCBDHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878168 1196525704 /nfs/dbraw/zinc/52/57/04/1196525704.db2.gz BFCJUTCIMPKRMD-UKRRQHHQSA-N 0 3 361.358 0.953 20 5 FCBDHN CC(C)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592543423 1196661782 /nfs/dbraw/zinc/66/17/82/1196661782.db2.gz ASSDOOQRMGWSNI-OAHLLOKOSA-N 0 3 363.418 0.850 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808222914 1202876810 /nfs/dbraw/zinc/87/68/10/1202876810.db2.gz PSBOBJOYGQEZLC-BLLLJJGKSA-N 0 3 362.386 0.661 20 5 FCBDHN CC(C)(C)CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506595 1204790036 /nfs/dbraw/zinc/79/00/36/1204790036.db2.gz GMMGNMVGMFDFBP-ZIAGYGMSSA-N 0 3 366.462 0.738 20 5 FCBDHN NC(=O)C[C@H](NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(N)=O ZINC001173011968 1206265000 /nfs/dbraw/zinc/26/50/00/1206265000.db2.gz KQATWNCVMWYYOP-LBPRGKRZSA-N 0 3 371.344 0.161 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223236 1206266493 /nfs/dbraw/zinc/26/64/93/1206266493.db2.gz AHHXUUVHHWMQNY-SCLBCKFNSA-N 0 3 360.414 0.949 20 5 FCBDHN COCCc1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458765 1206357512 /nfs/dbraw/zinc/35/75/12/1206357512.db2.gz XFTRACMFLBQDNN-CHWSQXEVSA-N 0 3 369.422 0.690 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855695898 1209679992 /nfs/dbraw/zinc/67/99/92/1209679992.db2.gz VXEZETYFUDUFLD-UHFFFAOYSA-N 0 3 370.381 0.591 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197489 1211290276 /nfs/dbraw/zinc/29/02/76/1211290276.db2.gz OKRILMSKGCLGHA-KBPBESRZSA-N 0 3 372.385 0.769 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000571111790 1211922921 /nfs/dbraw/zinc/92/29/21/1211922921.db2.gz RYPAIYWXKLAYLB-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN O=C(CCc1c[nH]cn1)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000952713363 1212972326 /nfs/dbraw/zinc/97/23/26/1212972326.db2.gz DYJMYWYQYYCVMR-LXTVHRRPSA-N 0 3 361.402 0.599 20 5 FCBDHN Cc1cc2c[nH]nc2c(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000954240748 1213051031 /nfs/dbraw/zinc/05/10/31/1213051031.db2.gz WWJCKIZAULRKOJ-TZMCWYRMSA-N 0 3 357.370 0.819 20 5 FCBDHN Cc1cc(C(=O)N2CCC(C3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)[nH]n1 ZINC001017159568 1214078621 /nfs/dbraw/zinc/07/86/21/1214078621.db2.gz NIQWNGVPRUQHNT-TZMCWYRMSA-N 0 3 361.402 0.884 20 5 FCBDHN Cc1cc(C(=O)N2CCC(C3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)n[nH]1 ZINC001017159568 1214078629 /nfs/dbraw/zinc/07/86/29/1214078629.db2.gz NIQWNGVPRUQHNT-TZMCWYRMSA-N 0 3 361.402 0.884 20 5 FCBDHN Cc1ccc(C(=O)NC2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001055575020 1219083947 /nfs/dbraw/zinc/08/39/47/1219083947.db2.gz INMGLEWYAOOOHY-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001120718529 1222117372 /nfs/dbraw/zinc/11/73/72/1222117372.db2.gz ZZPXIVIXYQZXAQ-CYBMUJFWSA-N 0 3 362.386 0.544 20 5 FCBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866313 1222484557 /nfs/dbraw/zinc/48/45/57/1222484557.db2.gz XCSRRZXTKGYXSK-ZYHUDNBSSA-N 0 3 369.349 0.918 20 5 FCBDHN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001157012876 1223065964 /nfs/dbraw/zinc/06/59/64/1223065964.db2.gz OPGOFKLCROPHOS-AWEZNQCLSA-N 0 3 372.385 0.438 20 5 FCBDHN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4c[nH]nc43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976477061 1248224708 /nfs/dbraw/zinc/22/47/08/1248224708.db2.gz JRFHVDBVDQJVMW-VVSAWPALSA-N 0 3 355.354 0.415 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001329491533 1265767675 /nfs/dbraw/zinc/76/76/75/1265767675.db2.gz UEFYICGSVMDYCQ-CQSZACIVSA-N 0 3 368.365 0.899 20 5 FCBDHN CCOCC(=O)N1CCN(CCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079160804 1255462704 /nfs/dbraw/zinc/46/27/04/1255462704.db2.gz KGPHAUYJAWNKPJ-HUUCEWRRSA-N 0 3 370.450 0.119 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555928 1259890069 /nfs/dbraw/zinc/89/00/69/1259890069.db2.gz JQEFHAVBYSFXCK-ACJLOTCBSA-N 0 3 360.414 0.949 20 5 FCBDHN Cc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001304079586 1263126550 /nfs/dbraw/zinc/12/65/50/1263126550.db2.gz PVMRYPCXBTVPQW-GFCCVEGCSA-N 0 3 372.385 0.687 20 5 FCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001321997808 1264127193 /nfs/dbraw/zinc/12/71/93/1264127193.db2.gz UQDGLEMKAVNUAL-OAHLLOKOSA-N 0 3 360.414 0.854 20 5 FCBDHN COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341640354 1269125719 /nfs/dbraw/zinc/12/57/19/1269125719.db2.gz MYHOJKXTALKPKG-KGLIPLIRSA-N 0 3 368.438 0.421 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001578981218 1276541645 /nfs/dbraw/zinc/54/16/45/1276541645.db2.gz UOVSOXVTEOKIFT-ONEGZZNKSA-N 0 3 374.405 0.811 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001578981218 1276541656 /nfs/dbraw/zinc/54/16/56/1276541656.db2.gz UOVSOXVTEOKIFT-ONEGZZNKSA-N 0 3 374.405 0.811 20 5 FCBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC[NH2+]2)c1 ZINC001580875035 1279081304 /nfs/dbraw/zinc/08/13/04/1279081304.db2.gz VFNJZVGUWLIDIJ-SSDOTTSWSA-N 0 3 350.194 0.998 20 5 FCBDHN C[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CCOCCO ZINC001591106069 1284179095 /nfs/dbraw/zinc/17/90/95/1284179095.db2.gz NUCRYDVDDJAWLF-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CCOCCO ZINC001591106069 1284179097 /nfs/dbraw/zinc/17/90/97/1284179097.db2.gz NUCRYDVDDJAWLF-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN C[N@H+](CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])CCOCCO ZINC001591105700 1284179624 /nfs/dbraw/zinc/17/96/24/1284179624.db2.gz YMUYNKYRQBBWEN-UHFFFAOYSA-N 0 3 369.357 0.267 20 5 FCBDHN C[N@@H+](CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])CCOCCO ZINC001591105700 1284179630 /nfs/dbraw/zinc/17/96/30/1284179630.db2.gz YMUYNKYRQBBWEN-UHFFFAOYSA-N 0 3 369.357 0.267 20 5 FCBDHN O=C(NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001606780709 1288512194 /nfs/dbraw/zinc/51/21/94/1288512194.db2.gz WQXVLGZKSZMEKR-UHFFFAOYSA-N 0 3 372.389 0.399 20 5 FCBDHN CCCn1c(C)nnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363182 842126787 /nfs/dbraw/zinc/12/67/87/842126787.db2.gz GRPAJNIEZURGFY-AAVRWANBSA-N 0 3 350.423 0.646 20 5 FCBDHN NCc1cnnn1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693216 850733326 /nfs/dbraw/zinc/73/33/26/850733326.db2.gz GHIVGZYLNINXNM-UHFFFAOYSA-N 0 3 366.403 0.671 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001325944245 870105575 /nfs/dbraw/zinc/10/55/75/870105575.db2.gz ISRSTYUFTFYNEB-UHFFFAOYSA-N 0 3 350.375 0.204 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346016886 871604252 /nfs/dbraw/zinc/60/42/52/871604252.db2.gz GODYLEPYBVSTTO-CQSZACIVSA-N 0 3 350.375 0.760 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001348969877 872839611 /nfs/dbraw/zinc/83/96/11/872839611.db2.gz JUXOKNMNGKOLEV-UHFFFAOYSA-N 0 3 350.423 0.338 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599462209 998293486 /nfs/dbraw/zinc/29/34/86/998293486.db2.gz UOWBFOIOZLYVKQ-CYBMUJFWSA-N 0 3 366.374 0.681 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599462209 998293496 /nfs/dbraw/zinc/29/34/96/998293496.db2.gz UOWBFOIOZLYVKQ-CYBMUJFWSA-N 0 3 366.374 0.681 20 5 FCBDHN O=C(CC[C@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292201038 214085951 /nfs/dbraw/zinc/08/59/51/214085951.db2.gz YENFTAXFEDOSFE-GFCCVEGCSA-N 0 3 370.431 0.522 20 5 FCBDHN CN1CC[C@@]2(CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000294027489 214218934 /nfs/dbraw/zinc/21/89/34/214218934.db2.gz ZNFVFESMGVBOSX-GOSISDBHSA-N 0 3 372.381 0.745 20 5 FCBDHN CN(C)CCNS(=O)(=O)c1ccc(N[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295458136 214299171 /nfs/dbraw/zinc/29/91/71/214299171.db2.gz WYKHWOGPUVLXFQ-PHIMTYICSA-N 0 3 358.420 0.370 20 5 FCBDHN C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N(C)C ZINC000265552962 210164691 /nfs/dbraw/zinc/16/46/91/210164691.db2.gz RDDSNRRUDYJHAL-SNVBAGLBSA-N 0 3 366.374 0.761 20 5 FCBDHN NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000262469513 209593075 /nfs/dbraw/zinc/59/30/75/209593075.db2.gz ZSZOBCPKOJCFNT-UHFFFAOYSA-N 0 3 370.431 0.651 20 5 FCBDHN Cc1cc(=O)c(C(=O)N2CCCNCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000237648375 209354949 /nfs/dbraw/zinc/35/49/49/209354949.db2.gz JNDQMBZLSOIVLY-UHFFFAOYSA-N 0 3 357.370 0.885 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000369057766 216342724 /nfs/dbraw/zinc/34/27/24/216342724.db2.gz WLTPUTZXPRWSDK-SNVBAGLBSA-N 0 3 357.388 0.786 20 5 FCBDHN CN(C)C1(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCC1 ZINC000276103872 212160937 /nfs/dbraw/zinc/16/09/37/212160937.db2.gz ZGORRZUMDGJWDL-UHFFFAOYSA-N 0 3 360.370 0.791 20 5 FCBDHN COc1ccc(NC(=O)CCN2CCN(C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275445842 212029479 /nfs/dbraw/zinc/02/94/79/212029479.db2.gz JZKRWFCIYQQRJA-CYBMUJFWSA-N 0 3 366.418 0.930 20 5 FCBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000374290019 217115874 /nfs/dbraw/zinc/11/58/74/217115874.db2.gz XVJCFJFBHWTGQA-DZGCQCFKSA-N 0 3 350.423 0.276 20 5 FCBDHN CN(CCCN1CCN(C)CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000183335603 209144216 /nfs/dbraw/zinc/14/42/16/209144216.db2.gz DYXVJKRHNWZVCW-UHFFFAOYSA-N 0 3 353.427 0.070 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183415763 209146432 /nfs/dbraw/zinc/14/64/32/209146432.db2.gz OREXGWATZYXORB-INIZCTEOSA-N 0 3 359.386 0.674 20 5 FCBDHN COc1ccc([C@H](CCO)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182413589 209131332 /nfs/dbraw/zinc/13/13/32/209131332.db2.gz GCZQUXYCEXECLL-HOCLYGCPSA-N 0 3 350.375 0.874 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000181962226 209124652 /nfs/dbraw/zinc/12/46/52/209124652.db2.gz RTYXPZZUSVRBKT-JKSUJKDBSA-N 0 3 365.430 0.989 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000419342206 246105758 /nfs/dbraw/zinc/10/57/58/246105758.db2.gz AOBCEAAFVRINMN-CQSZACIVSA-N 0 3 374.401 0.721 20 5 FCBDHN CC(C)(C)[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423946936 247154014 /nfs/dbraw/zinc/15/40/14/247154014.db2.gz CROCJRDFPBBHBV-LBPRGKRZSA-N 0 3 358.420 0.363 20 5 FCBDHN Cn1cc([C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424394443 247205954 /nfs/dbraw/zinc/20/59/54/247205954.db2.gz TXNYNHUITLHROB-CMPLNLGQSA-N 0 3 369.378 0.583 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CN1C1CC1 ZINC000440930409 248224105 /nfs/dbraw/zinc/22/41/05/248224105.db2.gz UJLLQLDKYBTDIW-GHMZBOCLSA-N 0 3 372.381 0.932 20 5 FCBDHN COc1cc(S(=O)(=O)NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000443281482 248318807 /nfs/dbraw/zinc/31/88/07/248318807.db2.gz KPCGFIWWSHZAHT-UHFFFAOYSA-N 0 3 373.431 0.586 20 5 FCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000270893024 211293541 /nfs/dbraw/zinc/29/35/41/211293541.db2.gz QOGSJZTUKZVIFW-UHFFFAOYSA-N 0 3 370.431 0.366 20 5 FCBDHN CC(C)OCCOC[C@H](O)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270579433 211227642 /nfs/dbraw/zinc/22/76/42/211227642.db2.gz QEEVXIAGAFTFLP-OAHLLOKOSA-N 0 3 357.407 0.491 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269904090 211113593 /nfs/dbraw/zinc/11/35/93/211113593.db2.gz MSBPVEUMRXNGOE-MEDUHNTESA-N 0 3 352.391 0.142 20 5 FCBDHN O=C(NC[C@H](O)CN1CCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472565796 250160666 /nfs/dbraw/zinc/16/06/66/250160666.db2.gz TUQZKMPYTGRJRB-AWEZNQCLSA-N 0 3 368.365 0.635 20 5 FCBDHN CN1CCC(O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472638255 250170020 /nfs/dbraw/zinc/17/00/20/250170020.db2.gz KGMKAVIQUKVQDN-UHFFFAOYSA-N 0 3 354.338 0.245 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000481677557 250349363 /nfs/dbraw/zinc/34/93/63/250349363.db2.gz OHDXHPINIIPMAH-GJZGRUSLSA-N 0 3 373.413 0.941 20 5 FCBDHN CCN(CC)CCN(CCOC)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269732231 211057801 /nfs/dbraw/zinc/05/78/01/211057801.db2.gz SNVVJLWBIWHXIQ-UHFFFAOYSA-N 0 3 354.407 0.573 20 5 FCBDHN CCCCNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588761 208059839 /nfs/dbraw/zinc/05/98/39/208059839.db2.gz NBCZTDCLUYULFN-HNNXBMFYSA-N 0 3 353.423 0.781 20 5 FCBDHN CCCc1[nH]nc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000109428681 208257273 /nfs/dbraw/zinc/25/72/73/208257273.db2.gz SXIZCWGXWCOISE-UHFFFAOYSA-N 0 3 352.395 0.116 20 5 FCBDHN CCCc1n[nH]c(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000109428681 208257279 /nfs/dbraw/zinc/25/72/79/208257279.db2.gz SXIZCWGXWCOISE-UHFFFAOYSA-N 0 3 352.395 0.116 20 5 FCBDHN CCCc1n[n-]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000109428681 208257283 /nfs/dbraw/zinc/25/72/83/208257283.db2.gz SXIZCWGXWCOISE-UHFFFAOYSA-N 0 3 352.395 0.116 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000112922421 208303366 /nfs/dbraw/zinc/30/33/66/208303366.db2.gz MNIUJAYYJQIWCY-AWEZNQCLSA-N 0 3 352.439 0.571 20 5 FCBDHN CN(C[C@@H](O)COCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549382 210354979 /nfs/dbraw/zinc/35/49/79/210354979.db2.gz TWRGSCVMJZPYPG-DLBZAZTESA-N 0 3 364.402 0.662 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000178004062 209040196 /nfs/dbraw/zinc/04/01/96/209040196.db2.gz LTRDPRVEHPPMSA-LBPRGKRZSA-N 0 3 364.406 0.259 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301127788 488876545 /nfs/dbraw/zinc/87/65/45/488876545.db2.gz XMYLNDQYNUVBMN-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CN1CCN(CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029619314 487727796 /nfs/dbraw/zinc/72/77/96/487727796.db2.gz ISQRJBXHVIRADK-UHFFFAOYSA-N 0 3 371.463 0.682 20 5 FCBDHN C[C@@H](CN1CCOCC1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279713258 488963925 /nfs/dbraw/zinc/96/39/25/488963925.db2.gz KROMTCXRSDGXQD-LSDHHAIUSA-N 0 3 353.419 0.987 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000080881214 488437566 /nfs/dbraw/zinc/43/75/66/488437566.db2.gz GDTGIBILCUZMMT-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000268765816 488448506 /nfs/dbraw/zinc/44/85/06/488448506.db2.gz JDDLOVXFVOEBIC-ZDUSSCGKSA-N 0 3 358.420 0.330 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000109544960 488523489 /nfs/dbraw/zinc/52/34/89/488523489.db2.gz NYBAGXOTMAUAQS-VXGBXAGGSA-N 0 3 370.431 0.778 20 5 FCBDHN CCC[C@](C)(N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262172479 488555175 /nfs/dbraw/zinc/55/51/75/488555175.db2.gz XKQJUOUTTCVPGR-AWEZNQCLSA-N 0 3 358.420 0.507 20 5 FCBDHN COCCNCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262471899 488572004 /nfs/dbraw/zinc/57/20/04/488572004.db2.gz BGDTYFXWYFXYSB-UHFFFAOYSA-N 0 3 358.782 0.330 20 5 FCBDHN [NH3+][C@@H]1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262610126 488581039 /nfs/dbraw/zinc/58/10/39/488581039.db2.gz ARLNYNJMLRLJNB-GHMZBOCLSA-N 0 3 356.404 0.117 20 5 FCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c1 ZINC000123124285 488582739 /nfs/dbraw/zinc/58/27/39/488582739.db2.gz OFWJLYVSYJAVFB-MRVPVSSYSA-N 0 3 350.194 0.998 20 5 FCBDHN O=C1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125280074 488599953 /nfs/dbraw/zinc/59/99/53/488599953.db2.gz NYVJHROPGDIRDF-UHOFOFEASA-N 0 3 363.418 0.628 20 5 FCBDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000131661935 488647651 /nfs/dbraw/zinc/64/76/51/488647651.db2.gz HPZCCEFKHDNMGK-UHFFFAOYSA-N 0 3 374.401 0.916 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133364952 488659608 /nfs/dbraw/zinc/65/96/08/488659608.db2.gz HRNRTBZZJXMSPW-ZDUSSCGKSA-N 0 3 352.439 0.632 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000133924144 488662927 /nfs/dbraw/zinc/66/29/27/488662927.db2.gz ZXBVZHKJNHAIRQ-UHFFFAOYSA-N 0 3 360.374 0.608 20 5 FCBDHN O=C(CCN[C@@H]1CCCN(CCO)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000570093797 491216093 /nfs/dbraw/zinc/21/60/93/491216093.db2.gz SJQLXQZQSWQWJH-CYBMUJFWSA-N 0 3 350.375 0.496 20 5 FCBDHN CCN(CCO)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274568151 488720216 /nfs/dbraw/zinc/72/02/16/488720216.db2.gz QQIDOLNTLIIVLZ-GFCCVEGCSA-N 0 3 352.391 0.144 20 5 FCBDHN Cc1c(C(=O)NC[C@](C)(O)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000152628894 488721108 /nfs/dbraw/zinc/72/11/08/488721108.db2.gz QFOFVTTZEPSPDS-INIZCTEOSA-N 0 3 362.390 0.526 20 5 FCBDHN CN(C)[C@]1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092279 488760885 /nfs/dbraw/zinc/76/08/85/488760885.db2.gz ISILENKZSLOVTC-INIZCTEOSA-N 0 3 366.443 0.878 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000267411908 488784189 /nfs/dbraw/zinc/78/41/89/488784189.db2.gz RUQWPFGBXDEQEJ-LBPRGKRZSA-N 0 3 370.431 0.401 20 5 FCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161422395 488796800 /nfs/dbraw/zinc/79/68/00/488796800.db2.gz PMAKGTUFFDIYHD-LBPRGKRZSA-N 0 3 351.812 0.839 20 5 FCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161422268 488796862 /nfs/dbraw/zinc/79/68/62/488796862.db2.gz PMAKGTUFFDIYHD-GFCCVEGCSA-N 0 3 351.812 0.839 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000173265247 488841852 /nfs/dbraw/zinc/84/18/52/488841852.db2.gz FPOYRNLTMWYOAZ-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366030556 489137016 /nfs/dbraw/zinc/13/70/16/489137016.db2.gz BUNXCNNBYKKSEN-CQSZACIVSA-N 0 3 350.423 0.418 20 5 FCBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000369684054 489263066 /nfs/dbraw/zinc/26/30/66/489263066.db2.gz RSOWDGQMTJGPNK-ZDUSSCGKSA-N 0 3 366.422 0.686 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000370065369 489312153 /nfs/dbraw/zinc/31/21/53/489312153.db2.gz NBACBIHROILYJE-UHFFFAOYSA-N 0 3 364.450 0.980 20 5 FCBDHN CC(C)Nc1nc(NCCO)nc(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000286144460 489360849 /nfs/dbraw/zinc/36/08/49/489360849.db2.gz HZXNFAPOVQNSNG-UHFFFAOYSA-N 0 3 351.371 0.313 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362934591 489406354 /nfs/dbraw/zinc/40/63/54/489406354.db2.gz ZPBYEPSLLTVDIX-UONOGXRCSA-N 0 3 362.386 0.821 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299208000 489417512 /nfs/dbraw/zinc/41/75/12/489417512.db2.gz HBNZEDUEOOMTFA-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN CN1CCC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000299313112 489431340 /nfs/dbraw/zinc/43/13/40/489431340.db2.gz XDWIUJVPFIXWKL-UHFFFAOYSA-N 0 3 352.416 0.996 20 5 FCBDHN CC(C)N(C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299507516 489449228 /nfs/dbraw/zinc/44/92/28/489449228.db2.gz QITQAMFAKMYWBO-UHFFFAOYSA-N 0 3 358.420 0.330 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000371135764 489455919 /nfs/dbraw/zinc/45/59/19/489455919.db2.gz FQCZQKYSPWYPBJ-CYBMUJFWSA-N 0 3 370.431 0.907 20 5 FCBDHN CC(C)N1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000371196823 489465091 /nfs/dbraw/zinc/46/50/91/489465091.db2.gz UJVYGSTVVCUZCV-UHFFFAOYSA-N 0 3 364.450 0.808 20 5 FCBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665924 489515904 /nfs/dbraw/zinc/51/59/04/489515904.db2.gz RDEDJEVCFSEVNE-ZNMIVQPWSA-N 0 3 353.419 0.721 20 5 FCBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CNCCO1 ZINC000418797564 489729399 /nfs/dbraw/zinc/72/93/99/489729399.db2.gz AJTJMPBWFIIOEL-GFCCVEGCSA-N 0 3 370.793 0.012 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000376664541 489772780 /nfs/dbraw/zinc/77/27/80/489772780.db2.gz QFSDUDQOSQCBLL-GWCFXTLKSA-N 0 3 368.415 0.408 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922375 489791859 /nfs/dbraw/zinc/79/18/59/489791859.db2.gz KXCPDHLOUPYTJU-BXUZGUMPSA-N 0 3 364.402 0.483 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000418952132 489802473 /nfs/dbraw/zinc/80/24/73/489802473.db2.gz VDXMFSCEFURGLL-CYBMUJFWSA-N 0 3 364.402 0.853 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1[N+](=O)[O-] ZINC000418954033 489803861 /nfs/dbraw/zinc/80/38/61/489803861.db2.gz WZLFVFZZDJDQKR-FZMZJTMJSA-N 0 3 364.402 0.805 20 5 FCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCN1CCN(CCO)CC1 ZINC000432543281 489847145 /nfs/dbraw/zinc/84/71/45/489847145.db2.gz TUOYMOFXIAGDCN-UHFFFAOYSA-N 0 3 364.446 0.644 20 5 FCBDHN C[C@H]1CN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000432557376 489847192 /nfs/dbraw/zinc/84/71/92/489847192.db2.gz LMGZVNZFAGYDJU-ZDUSSCGKSA-N 0 3 352.391 0.374 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000420422033 489974298 /nfs/dbraw/zinc/97/42/98/489974298.db2.gz LWEUCTUVPVNSNJ-VROVMSAKSA-N 0 3 362.205 0.853 20 5 FCBDHN CN1CCC[C@H](N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000378173467 490022420 /nfs/dbraw/zinc/02/24/20/490022420.db2.gz BWAYBWWCVGBIIH-AWEZNQCLSA-N 0 3 365.438 0.213 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545164264 490088740 /nfs/dbraw/zinc/08/87/40/490088740.db2.gz UOUMADDGJAIXOU-AWEZNQCLSA-N 0 3 356.766 0.370 20 5 FCBDHN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000445547525 490138091 /nfs/dbraw/zinc/13/80/91/490138091.db2.gz HIGHXFBFCUCDFL-ZJUUUORDSA-N 0 3 357.388 0.914 20 5 FCBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1CCN(CCO)CC1 ZINC000480011574 490148696 /nfs/dbraw/zinc/14/86/96/490148696.db2.gz JGRGUHVPGWKXAA-UHFFFAOYSA-N 0 3 354.455 0.922 20 5 FCBDHN CCOC(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000545863012 490158694 /nfs/dbraw/zinc/15/86/94/490158694.db2.gz LZHHALYSELLUER-INIZCTEOSA-N 0 3 351.359 0.568 20 5 FCBDHN CCOc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000545863594 490159737 /nfs/dbraw/zinc/15/97/37/490159737.db2.gz KKJUCTZJBIKPEN-MRXNPFEDSA-N 0 3 353.375 0.799 20 5 FCBDHN CN(CCN1C(=O)c2ccccc2C1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000533140015 490182998 /nfs/dbraw/zinc/18/29/98/490182998.db2.gz CKSNECKNAULNGL-ZDUSSCGKSA-N 0 3 373.369 0.380 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000546145529 490197445 /nfs/dbraw/zinc/19/74/45/490197445.db2.gz JCPHMCSXAULSGM-CYBMUJFWSA-N 0 3 362.434 0.813 20 5 FCBDHN CCCC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000497732326 490206875 /nfs/dbraw/zinc/20/68/75/490206875.db2.gz YAZKDPIXJILURX-ZDUSSCGKSA-N 0 3 358.420 0.507 20 5 FCBDHN COC[C@H](C)OC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305192 490216470 /nfs/dbraw/zinc/21/64/70/490216470.db2.gz LDAUMGWYZWMYDN-KCQAQPDRSA-N 0 3 354.407 0.888 20 5 FCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000498333373 490284939 /nfs/dbraw/zinc/28/49/39/490284939.db2.gz FLPINQNUKCQQCR-UHFFFAOYSA-N 0 3 363.418 0.996 20 5 FCBDHN CN1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498636437 490320208 /nfs/dbraw/zinc/32/02/08/490320208.db2.gz UWEFYAOHVBXRQQ-CYBMUJFWSA-N 0 3 370.431 0.474 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000499127592 490391141 /nfs/dbraw/zinc/39/11/41/490391141.db2.gz MSJAHSJKPJRNAS-UHFFFAOYSA-N 0 3 351.407 0.463 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000468703971 490437955 /nfs/dbraw/zinc/43/79/55/490437955.db2.gz YLXDUBVENSDZPF-UHFFFAOYSA-N 0 3 363.418 0.850 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCN1CCCO ZINC000450598770 490478101 /nfs/dbraw/zinc/47/81/01/490478101.db2.gz RDJSBESWOSITPL-GFCCVEGCSA-N 0 3 358.420 0.501 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450595187 490478139 /nfs/dbraw/zinc/47/81/39/490478139.db2.gz LPCMPPJIEHQQSW-LLVKDONJSA-N 0 3 358.420 0.501 20 5 FCBDHN CC(C)C[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422836057 490483190 /nfs/dbraw/zinc/48/31/90/490483190.db2.gz QRHLYEONUIHVHQ-LLVKDONJSA-N 0 3 358.420 0.363 20 5 FCBDHN CC(C)[C@@](C)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422871019 490489935 /nfs/dbraw/zinc/48/99/35/490489935.db2.gz YJBBPKSFHSIBIY-CQSZACIVSA-N 0 3 358.420 0.363 20 5 FCBDHN CCCC[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422900864 490492446 /nfs/dbraw/zinc/49/24/46/490492446.db2.gz KEDATDLNOUMZLC-LLVKDONJSA-N 0 3 358.420 0.507 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000564848163 491331178 /nfs/dbraw/zinc/33/11/78/491331178.db2.gz DEGPPEVSRZJPLV-AWEZNQCLSA-N 0 3 366.399 0.272 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000525102019 490576050 /nfs/dbraw/zinc/57/60/50/490576050.db2.gz GJRXGGVFNQHLCT-UHFFFAOYSA-N 0 3 350.335 0.314 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000501278289 490593240 /nfs/dbraw/zinc/59/32/40/490593240.db2.gz QUBQLOKGESLODD-GFCCVEGCSA-N 0 3 364.402 0.886 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)[C@H]2CCCOC2)cc1 ZINC000564976716 491342600 /nfs/dbraw/zinc/34/26/00/491342600.db2.gz WDNUBJNIUCVJRH-SWLSCSKDSA-N 0 3 358.416 0.746 20 5 FCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000537167318 490656170 /nfs/dbraw/zinc/65/61/70/490656170.db2.gz DDHJLNGMLSTGHO-GWCFXTLKSA-N 0 3 369.403 0.150 20 5 FCBDHN [NH3+]CC[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564996214 491344811 /nfs/dbraw/zinc/34/48/11/491344811.db2.gz QUGOODUNUKXQDK-LBPRGKRZSA-N 0 3 370.431 0.603 20 5 FCBDHN O=C(CNC1CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000557041797 491350433 /nfs/dbraw/zinc/35/04/33/491350433.db2.gz HUPXCBRIQFZWQT-UHFFFAOYSA-N 0 3 368.415 0.180 20 5 FCBDHN CC[C@@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000513752873 490745811 /nfs/dbraw/zinc/74/58/11/490745811.db2.gz ZBFDYXHRWVKHSG-ZDUSSCGKSA-N 0 3 372.447 0.867 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000515339352 490819557 /nfs/dbraw/zinc/81/95/57/490819557.db2.gz HPUIFACFDIJVFY-QWHCGFSZSA-N 0 3 359.386 0.553 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000515339351 490819564 /nfs/dbraw/zinc/81/95/64/490819564.db2.gz HPUIFACFDIJVFY-OLZOCXBDSA-N 0 3 359.386 0.553 20 5 FCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000505888688 490843556 /nfs/dbraw/zinc/84/35/56/490843556.db2.gz AOZNBIPLYYZJMK-NWDGAFQWSA-N 0 3 370.431 0.472 20 5 FCBDHN Cc1c(C(=O)NC[C@H]2CCCN(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000530576753 490914193 /nfs/dbraw/zinc/91/41/93/490914193.db2.gz LZLQLNBYWMPJLX-LLVKDONJSA-N 0 3 370.431 0.622 20 5 FCBDHN Cc1nn(CCC(=O)N(C)CCCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000517686548 490916581 /nfs/dbraw/zinc/91/65/81/490916581.db2.gz YTUNFXGGICLLJZ-UHFFFAOYSA-N 0 3 366.466 0.894 20 5 FCBDHN CC(=O)N1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543599694 490938030 /nfs/dbraw/zinc/93/80/30/490938030.db2.gz XZWBPKKEAKCDDC-UHFFFAOYSA-N 0 3 355.416 0.969 20 5 FCBDHN CS(=O)(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000565887299 491405439 /nfs/dbraw/zinc/40/54/39/491405439.db2.gz KFSOTBFODHELOG-CQSZACIVSA-N 0 3 369.403 0.314 20 5 FCBDHN CN1CCN(C(=O)CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572993346 491406505 /nfs/dbraw/zinc/40/65/05/491406505.db2.gz ZPAXODAWZOWYTO-OAHLLOKOSA-N 0 3 366.418 0.088 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000573354506 491428702 /nfs/dbraw/zinc/42/87/02/491428702.db2.gz JEMBHWMNWKNLCQ-LBPRGKRZSA-N 0 3 360.370 0.743 20 5 FCBDHN C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566856309 491471592 /nfs/dbraw/zinc/47/15/92/491471592.db2.gz WHRNFFJFBAIOFW-NEPJUHHUSA-N 0 3 370.431 0.601 20 5 FCBDHN CS(=O)(=O)CC1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567345265 491500938 /nfs/dbraw/zinc/50/09/38/491500938.db2.gz BFWVGWLPBWZEAB-ZDUSSCGKSA-N 0 3 358.416 0.749 20 5 FCBDHN COC(=O)c1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000574550147 491504447 /nfs/dbraw/zinc/50/44/47/491504447.db2.gz POKRBICCEGWKHG-SNVBAGLBSA-N 0 3 366.374 0.178 20 5 FCBDHN CCN(C)C[C@H](O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC000567520708 491511671 /nfs/dbraw/zinc/51/16/71/491511671.db2.gz BJUMBJNAIOJGBU-LBPRGKRZSA-N 0 3 372.385 0.803 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccn1 ZINC000567710475 491524411 /nfs/dbraw/zinc/52/44/11/491524411.db2.gz LPRBKCDRYJRFRJ-CVEARBPZSA-N 0 3 374.401 0.328 20 5 FCBDHN COC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000575248668 491547699 /nfs/dbraw/zinc/54/76/99/491547699.db2.gz OUZWMGNXXBVKLO-CYBMUJFWSA-N 0 3 364.358 0.737 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2(O)CCOCC2)cc1 ZINC000575742857 491558005 /nfs/dbraw/zinc/55/80/05/491558005.db2.gz XIKZFLFPINHDCH-UHFFFAOYSA-N 0 3 358.416 0.890 20 5 FCBDHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577072246 491587370 /nfs/dbraw/zinc/58/73/70/491587370.db2.gz NOSXARHBFOYXNE-CQSZACIVSA-N 0 3 358.398 0.786 20 5 FCBDHN CCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540384 491602500 /nfs/dbraw/zinc/60/25/00/491602500.db2.gz WTLIOPAGOGUZDL-CZUORRHYSA-N 0 3 350.375 0.674 20 5 FCBDHN CC(C)NS(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576339069 491606518 /nfs/dbraw/zinc/60/65/18/491606518.db2.gz BJTBWVJYLXMIEC-CYBMUJFWSA-N 0 3 361.420 0.252 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000577741645 491647967 /nfs/dbraw/zinc/64/79/67/491647967.db2.gz SVERUOXGGAFEKD-JKSUJKDBSA-N 0 3 374.401 0.843 20 5 FCBDHN Cc1c(C(=O)N2CCN(C)C[C@H]2CN)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000576874892 491653187 /nfs/dbraw/zinc/65/31/87/491653187.db2.gz CJMSQOJMYABRGO-CQSZACIVSA-N 0 3 359.390 0.199 20 5 FCBDHN C[C@@H]1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1ccccc1 ZINC000578859615 491685812 /nfs/dbraw/zinc/68/58/12/491685812.db2.gz RATAOYOXEPEHGH-KCXAZCMYSA-N 0 3 359.386 0.936 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCn2cc(CO)nn2)cc1 ZINC000580192199 491721108 /nfs/dbraw/zinc/72/11/08/491721108.db2.gz CWZPPMZUDICCRW-UHFFFAOYSA-N 0 3 369.403 0.132 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000580488833 491733238 /nfs/dbraw/zinc/73/32/38/491733238.db2.gz JBCIPHRKUQKROR-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCCN(C)C3)CC2)n1 ZINC000587979623 491736251 /nfs/dbraw/zinc/73/62/51/491736251.db2.gz VFSHLYSLYYHHKS-ZDUSSCGKSA-N 0 3 363.418 0.993 20 5 FCBDHN COC(=O)C[C@@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000589162443 491756829 /nfs/dbraw/zinc/75/68/29/491756829.db2.gz UKQWBDFDXVJSRD-GOEBONIOSA-N 0 3 363.374 0.615 20 5 FCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCNC1=O ZINC000581200684 491763668 /nfs/dbraw/zinc/76/36/68/491763668.db2.gz HKPKTETZDJRYNN-LBPRGKRZSA-N 0 3 370.431 0.331 20 5 FCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000581450688 491773842 /nfs/dbraw/zinc/77/38/42/491773842.db2.gz UHLOBSOSIQHNSS-ZDUSSCGKSA-N 0 3 350.423 0.862 20 5 FCBDHN COCC(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591725103 491822697 /nfs/dbraw/zinc/82/26/97/491822697.db2.gz BMFDBTXKLVASIY-HNNXBMFYSA-N 0 3 363.374 0.527 20 5 FCBDHN CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600816707 491884411 /nfs/dbraw/zinc/88/44/11/491884411.db2.gz JMIVMSITBTURRO-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN Cc1c(CN)c(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1C ZINC000595960883 491965561 /nfs/dbraw/zinc/96/55/61/491965561.db2.gz GMBVYTYUOBZDRD-UHFFFAOYSA-N 0 3 374.357 0.460 20 5 FCBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614920926 492064472 /nfs/dbraw/zinc/06/44/72/492064472.db2.gz YYDHOXQLGRXWMW-CQSZACIVSA-N 0 3 353.419 0.723 20 5 FCBDHN C[C@]1(CO)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599623163 492194870 /nfs/dbraw/zinc/19/48/70/492194870.db2.gz HEIZGCFHJCGQCG-RRQGHBQHSA-N 0 3 354.403 0.647 20 5 FCBDHN C[C@]1(CO)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599624807 492194892 /nfs/dbraw/zinc/19/48/92/492194892.db2.gz WTKXTBJRQADGTO-BHYGNILZSA-N 0 3 354.403 0.647 20 5 FCBDHN COc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000609157967 492199149 /nfs/dbraw/zinc/19/91/49/492199149.db2.gz WKBNWLFPKFMXSQ-UHFFFAOYSA-N 0 3 374.463 0.717 20 5 FCBDHN Cc1nn(C)c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000609170528 492199873 /nfs/dbraw/zinc/19/98/73/492199873.db2.gz RMGGJYFWKLXGGS-GFCCVEGCSA-N 0 3 366.422 0.309 20 5 FCBDHN COc1cc(OCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938386 492219266 /nfs/dbraw/zinc/21/92/66/492219266.db2.gz OHAUWXXSWNGZRX-CHWSQXEVSA-N 0 3 365.386 0.650 20 5 FCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000619669934 492275428 /nfs/dbraw/zinc/27/54/28/492275428.db2.gz WFKSUDLRTCEWNL-HNNXBMFYSA-N 0 3 362.386 0.903 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000611233201 492282447 /nfs/dbraw/zinc/28/24/47/492282447.db2.gz CMPCAVSYCGEAHP-UHFFFAOYSA-N 0 3 360.374 0.872 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000411573275 533936111 /nfs/dbraw/zinc/93/61/11/533936111.db2.gz SSBZTOOMLHMSBI-CQSZACIVSA-N 0 3 364.402 0.805 20 5 FCBDHN CC1CCN(C[C@H](O)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161538432 528253095 /nfs/dbraw/zinc/25/30/95/528253095.db2.gz XWFIADIHJDWDHC-CQSZACIVSA-N 0 3 354.411 0.183 20 5 FCBDHN CC1(C)CN[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592021589 546943963 /nfs/dbraw/zinc/94/39/63/546943963.db2.gz SHLNFLFHODXAMX-LBPRGKRZSA-N 0 3 352.416 0.939 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000592491452 546951591 /nfs/dbraw/zinc/95/15/91/546951591.db2.gz KEANJFRJCIPLLN-CYBMUJFWSA-N 0 3 350.375 0.679 20 5 FCBDHN C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592471093 546951894 /nfs/dbraw/zinc/95/18/94/546951894.db2.gz VCEINMNKYOHUMD-YPMHNXCESA-N 0 3 370.431 0.459 20 5 FCBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593543679 546972627 /nfs/dbraw/zinc/97/26/27/546972627.db2.gz LMTFSNHCXYEWLZ-UHFFFAOYSA-N 0 3 360.436 0.969 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240120 674492743 /nfs/dbraw/zinc/49/27/43/674492743.db2.gz WETVJEUJPGHJAN-CHWSQXEVSA-N 0 3 366.443 0.758 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974114378 664223003 /nfs/dbraw/zinc/22/30/03/664223003.db2.gz GFFXMFQDFBBMFA-YVECIDJPSA-N 0 3 350.375 0.383 20 5 FCBDHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000762715018 667927396 /nfs/dbraw/zinc/92/73/96/667927396.db2.gz DWDLUQACSDXKDJ-OAHLLOKOSA-N 0 3 352.347 0.916 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000819180727 668986265 /nfs/dbraw/zinc/98/62/65/668986265.db2.gz WWDOAKLIDZFOIZ-HNNXBMFYSA-N 0 3 366.399 0.591 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813115774 669828272 /nfs/dbraw/zinc/82/82/72/669828272.db2.gz ZJGFEEFPIZTDTO-QMMMGPOBSA-N 0 3 352.315 0.842 20 5 FCBDHN CC(COC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813115518 669828484 /nfs/dbraw/zinc/82/84/84/669828484.db2.gz UKFSRXCLUKEXPU-VFZGTOFNSA-N 0 3 353.306 0.801 20 5 FCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccnc(CO)c1 ZINC000858574948 671767979 /nfs/dbraw/zinc/76/79/79/671767979.db2.gz XINBPFGKLGYRRD-UHFFFAOYSA-N 0 3 366.399 0.897 20 5 FCBDHN O=C(c1ccn2cncc2c1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969466646 1167963298 /nfs/dbraw/zinc/96/32/98/1167963298.db2.gz RLZRLFVYAMNNNG-OCVGTWLNSA-N 0 3 369.381 0.815 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000592341171 1196599035 /nfs/dbraw/zinc/59/90/35/1196599035.db2.gz ZDMYTVXFZAPMOO-AWEZNQCLSA-N 0 3 360.374 0.888 20 5 FCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000769635924 1200336053 /nfs/dbraw/zinc/33/60/53/1200336053.db2.gz QLMQYENQLHHXOU-UHFFFAOYSA-N 0 3 366.418 0.475 20 5 FCBDHN O=C(C(=O)N1CCCNCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817991336 1203131588 /nfs/dbraw/zinc/13/15/88/1203131588.db2.gz RUPLUKFHWRJHMT-UHFFFAOYSA-N 0 3 361.402 0.065 20 5 FCBDHN CC1(C)[C@H](NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC000846959961 1204675481 /nfs/dbraw/zinc/67/54/81/1204675481.db2.gz SQABYYMGQCXXKZ-CVEARBPZSA-N 0 3 362.430 0.992 20 5 FCBDHN Cn1nccc1[C@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000856799576 1209730119 /nfs/dbraw/zinc/73/01/19/1209730119.db2.gz HSJXTWYVSZFTGD-GOEBONIOSA-N 0 3 364.406 0.331 20 5 FCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000879213733 1210474793 /nfs/dbraw/zinc/47/47/93/1210474793.db2.gz JWPXUCAVMFEHBF-UHFFFAOYSA-N 0 3 362.434 0.964 20 5 FCBDHN Cc1cc(C(=O)N2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)n[nH]1 ZINC001010950524 1213823215 /nfs/dbraw/zinc/82/32/15/1213823215.db2.gz RFYRHJGJPWGTDB-ZPUIDXCVSA-N 0 3 361.402 0.694 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2nnc(C3CC3)n2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138985 1214312454 /nfs/dbraw/zinc/31/24/54/1214312454.db2.gz LCNJIGXOMAOQRS-HBJVGIJOSA-N 0 3 360.418 0.892 20 5 FCBDHN CN(C)c1noc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000963786131 1214850720 /nfs/dbraw/zinc/85/07/20/1214850720.db2.gz APAAYGNQMQWZGL-ZVHXASMASA-N 0 3 364.406 0.318 20 5 FCBDHN CCn1nncc1CN1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000153809 1216012771 /nfs/dbraw/zinc/01/27/71/1216012771.db2.gz LXMNFCAZCFINES-HUUCEWRRSA-N 0 3 362.434 0.824 20 5 FCBDHN CCCCn1nnnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494347 1223239373 /nfs/dbraw/zinc/23/93/73/1223239373.db2.gz GGSGDCIRVHAIQT-CHWSQXEVSA-N 0 3 365.438 0.515 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000765551719 1245302428 /nfs/dbraw/zinc/30/24/28/1245302428.db2.gz HAXNQNNSWYDUJA-CYBMUJFWSA-N 0 3 358.402 0.985 20 5 FCBDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977187846 1248564233 /nfs/dbraw/zinc/56/42/33/1248564233.db2.gz QFGROWBBIQARFK-OVKLUEDNSA-N 0 3 361.402 0.693 20 5 FCBDHN Cc1cc2cn[nH]c2c(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001805068 1252351533 /nfs/dbraw/zinc/35/15/33/1252351533.db2.gz DVXRCOFDTILQKP-TZMCWYRMSA-N 0 3 357.370 0.725 20 5 FCBDHN Cc1cc2c[nH]nc2c(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001805068 1252351536 /nfs/dbraw/zinc/35/15/36/1252351536.db2.gz DVXRCOFDTILQKP-TZMCWYRMSA-N 0 3 357.370 0.725 20 5 FCBDHN Cn1c(-c2ccc([N+](=O)[O-])c(N)n2)nnc1N1CCN(CC2CC2)CC1 ZINC001519105954 1265700933 /nfs/dbraw/zinc/70/09/33/1265700933.db2.gz FXYGKINEDXHUCK-UHFFFAOYSA-N 0 3 358.406 0.900 20 5 FCBDHN O=C(CCc1c[nH]cn1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060750203 1254136121 /nfs/dbraw/zinc/13/61/21/1254136121.db2.gz QLXJKDIAPYQHNS-QHSBEEBCSA-N 0 3 363.418 0.799 20 5 FCBDHN O=C(CCCCc1c[nH]nn1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062990397 1254288340 /nfs/dbraw/zinc/28/83/40/1254288340.db2.gz IGJPVVQMLNMGEC-CHWSQXEVSA-N 0 3 364.406 0.338 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555932 1259890196 /nfs/dbraw/zinc/89/01/96/1259890196.db2.gz JQEFHAVBYSFXCK-UGSOOPFHSA-N 0 3 360.414 0.949 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596769 1259890270 /nfs/dbraw/zinc/89/02/70/1259890270.db2.gz RFNZRAXDQFAOQO-AEFFLSMTSA-N 0 3 358.398 0.485 20 5 FCBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001336762234 1260217595 /nfs/dbraw/zinc/21/75/95/1260217595.db2.gz AQNBNFHTOYGWHA-CQSZACIVSA-N 0 3 370.475 0.594 20 5 FCBDHN CN1CCN(Cc2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CC1 ZINC001322721042 1264249807 /nfs/dbraw/zinc/24/98/07/1264249807.db2.gz SNTZJBJWTPINNY-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCOC2(CNC2)C1 ZINC001580561896 1278488020 /nfs/dbraw/zinc/48/80/20/1278488020.db2.gz DUHIBQXFZLRAQF-UHFFFAOYSA-N 0 3 358.354 0.723 20 5 FCBDHN COc1cc(CCNC(=O)[C@@H]2CNCCN2C)c([N+](=O)[O-])cc1OC ZINC001579149245 1276883866 /nfs/dbraw/zinc/88/38/66/1276883866.db2.gz RDIRABOUHUTMRE-ZDUSSCGKSA-N 0 3 352.391 0.174 20 5 FCBDHN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)N2CCNCC2)cc1 ZINC001580874936 1279081388 /nfs/dbraw/zinc/08/13/88/1279081388.db2.gz PSQIQWRJRYVQLD-ZDUSSCGKSA-N 0 3 358.445 0.792 20 5 FCBDHN C[NH+](C)C[C@@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604676825 1287724666 /nfs/dbraw/zinc/72/46/66/1287724666.db2.gz BRJHYDSRKGZYRA-VIFPVBQESA-N 0 3 358.362 0.658 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593487033 1286175697 /nfs/dbraw/zinc/17/56/97/1286175697.db2.gz IMCSOCKPHLWZBO-ZDUSSCGKSA-N 0 3 374.361 0.001 20 5 FCBDHN C[NH+](C)CCO[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001118764729 847574470 /nfs/dbraw/zinc/57/44/70/847574470.db2.gz SFJGQCRADCXWKL-UHFFFAOYSA-N 0 3 352.347 0.892 20 5 FCBDHN CC(C)(C)c1nnc(NC(=O)CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936426 848713296 /nfs/dbraw/zinc/71/32/96/848713296.db2.gz HDGPDTOSMYRJSJ-RKDXNWHRSA-N 0 3 370.435 0.145 20 5 FCBDHN CCN(C(C)=O)c1nc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001157775585 849994358 /nfs/dbraw/zinc/99/43/58/849994358.db2.gz RFJHVUASPSTLNZ-CHWSQXEVSA-N 0 3 369.447 0.777 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1OC ZINC001163251797 850361373 /nfs/dbraw/zinc/36/13/73/850361373.db2.gz CQUXRXCJQQLVLY-DOMZBBRYSA-N 0 3 350.331 0.380 20 5 FCBDHN COC(=O)C(C(=O)OC)c1ncc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167275731 850539386 /nfs/dbraw/zinc/53/93/86/850539386.db2.gz WEKAXSDOQXIBHW-VIFPVBQESA-N 0 3 352.347 0.535 20 5 FCBDHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020167 850602387 /nfs/dbraw/zinc/60/23/87/850602387.db2.gz KBVPHRRVMCQBRZ-OWVAZHOYSA-N 0 3 355.435 0.768 20 5 FCBDHN CCOC(=O)COc1ncc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569369 850659301 /nfs/dbraw/zinc/65/93/01/850659301.db2.gz RJFSTHBJDSVDGJ-MFKMUULPSA-N 0 3 354.363 0.721 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCOCC1 ZINC001308640622 866716298 /nfs/dbraw/zinc/71/62/98/866716298.db2.gz BZZQBXMZNFAUFD-GFCCVEGCSA-N 0 3 350.375 0.760 20 5 FCBDHN COC(=O)[C@](C)([N-]S(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001309742842 866878716 /nfs/dbraw/zinc/87/87/16/866878716.db2.gz ULJBTNCRDMSZRC-OAHLLOKOSA-N 0 3 373.431 0.854 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001347786701 872493647 /nfs/dbraw/zinc/49/36/47/872493647.db2.gz ZTOXYZXZEJEHPA-MRVPVSSYSA-N 0 3 361.196 0.592 20 5 FCBDHN COc1cc(OCC(=O)N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295344089 214292209 /nfs/dbraw/zinc/29/22/09/214292209.db2.gz DVDKHUZTDSXMSI-CYBMUJFWSA-N 0 3 367.402 0.945 20 5 FCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265350300 210103238 /nfs/dbraw/zinc/10/32/38/210103238.db2.gz XFCSUUOURMVJOO-LBPRGKRZSA-N 0 3 374.397 0.991 20 5 FCBDHN CC(C)N(C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265354605 210105503 /nfs/dbraw/zinc/10/55/03/210105503.db2.gz KTOPHHKURIVMLE-UHFFFAOYSA-N 0 3 358.420 0.330 20 5 FCBDHN CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000331509551 215007349 /nfs/dbraw/zinc/00/73/49/215007349.db2.gz MCTVEHSWBABNIC-UHFFFAOYSA-N 0 3 370.431 0.427 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285211897 213303695 /nfs/dbraw/zinc/30/36/95/213303695.db2.gz PKELVGANYGKAFM-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN Cc1c(NC(=O)CCN2CCC(O)(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000283899396 213030893 /nfs/dbraw/zinc/03/08/93/213030893.db2.gz FNTHTNQMXJUHMY-UHFFFAOYSA-N 0 3 350.375 0.544 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184313501 209159110 /nfs/dbraw/zinc/15/91/10/209159110.db2.gz HGKOVCYVKRJOHW-ZDUSSCGKSA-N 0 3 352.439 0.632 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000419458323 246174061 /nfs/dbraw/zinc/17/40/61/246174061.db2.gz ZCXTWDUAHDXGBZ-CYBMUJFWSA-N 0 3 363.418 0.771 20 5 FCBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419959389 246388036 /nfs/dbraw/zinc/38/80/36/246388036.db2.gz QXOGFUIBFBJRGJ-LBPRGKRZSA-N 0 3 364.402 0.674 20 5 FCBDHN C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1=CCN(C)CC1 ZINC000272744162 211598129 /nfs/dbraw/zinc/59/81/29/211598129.db2.gz DBXFGUBDPWIZFY-LLVKDONJSA-N 0 3 372.381 0.957 20 5 FCBDHN C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424007869 247160686 /nfs/dbraw/zinc/16/06/86/247160686.db2.gz VOMMFBOTQAMDDH-NWDGAFQWSA-N 0 3 370.431 0.316 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424448506 247218832 /nfs/dbraw/zinc/21/88/32/247218832.db2.gz PBDLSXSYYKHVTL-UONOGXRCSA-N 0 3 372.385 0.529 20 5 FCBDHN CN1C(=O)NCC12CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000425559226 247353182 /nfs/dbraw/zinc/35/31/82/247353182.db2.gz ZAQSJVBSGMWFHJ-AWEZNQCLSA-N 0 3 364.402 0.824 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000439858603 248144065 /nfs/dbraw/zinc/14/40/65/248144065.db2.gz QDYRKUZACLAASL-MRXNPFEDSA-N 0 3 366.374 0.115 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000452354614 249310764 /nfs/dbraw/zinc/31/07/64/249310764.db2.gz VUNYTNFDJAATQF-AWEZNQCLSA-N 0 3 365.386 0.958 20 5 FCBDHN COCCNCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000271139602 211343946 /nfs/dbraw/zinc/34/39/46/211343946.db2.gz NZJCVBOGUBLAIF-UHFFFAOYSA-N 0 3 366.374 0.635 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000270304366 211183174 /nfs/dbraw/zinc/18/31/74/211183174.db2.gz YYBJYZKKAAPPTJ-UHFFFAOYSA-N 0 3 362.390 0.852 20 5 FCBDHN CCN(CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000470592570 250051627 /nfs/dbraw/zinc/05/16/27/250051627.db2.gz ISYWNFBSFRECHL-UHFFFAOYSA-N 0 3 362.386 0.952 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473254602 250210637 /nfs/dbraw/zinc/21/06/37/250210637.db2.gz MBKOIYNVYUAMNT-INIZCTEOSA-N 0 3 352.391 0.144 20 5 FCBDHN O=C1CCCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000120299984 208378858 /nfs/dbraw/zinc/37/88/58/208378858.db2.gz ZUYVFXXRGQEHSU-HNNXBMFYSA-N 0 3 351.407 0.629 20 5 FCBDHN COCCCN(C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000266158905 210294372 /nfs/dbraw/zinc/29/43/72/210294372.db2.gz NXESQINFNCXFPA-ZDUSSCGKSA-N 0 3 366.418 0.798 20 5 FCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161411109 229199715 /nfs/dbraw/zinc/19/97/15/229199715.db2.gz FPPILPLTYOLCEO-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000178801865 229225362 /nfs/dbraw/zinc/22/53/62/229225362.db2.gz DHUORZYJXGIUDA-UHFFFAOYSA-N 0 3 374.401 0.950 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000174765614 229213162 /nfs/dbraw/zinc/21/31/62/229213162.db2.gz XQKDQVGDJVNOJC-OAHLLOKOSA-N 0 3 364.406 0.221 20 5 FCBDHN CC(C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000538819664 484112350 /nfs/dbraw/zinc/11/23/50/484112350.db2.gz MMHWBUFMQRLNDN-SECBINFHSA-N 0 3 367.387 0.499 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(c3ccncc3)CC2)c1 ZINC000301103557 488876026 /nfs/dbraw/zinc/87/60/26/488876026.db2.gz LMXFMXZQVHHJNM-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041718269 487837949 /nfs/dbraw/zinc/83/79/49/487837949.db2.gz BUVBKUZGEFHDRM-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000041923335 487847208 /nfs/dbraw/zinc/84/72/08/487847208.db2.gz YGZZCZHMOHRIFQ-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000053237425 488194606 /nfs/dbraw/zinc/19/46/06/488194606.db2.gz FPPDNTUFVGLJKJ-UHFFFAOYSA-N 0 3 372.429 0.855 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000053274967 488195444 /nfs/dbraw/zinc/19/54/44/488195444.db2.gz CESUJAXKOTWSDG-ZDUSSCGKSA-N 0 3 362.386 0.921 20 5 FCBDHN CN(C)CCn1cc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000057854552 488277262 /nfs/dbraw/zinc/27/72/62/488277262.db2.gz OYJVRMNPARYUSM-UHFFFAOYSA-N 0 3 354.392 0.744 20 5 FCBDHN NC(=O)CN(CCC1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075717007 488398591 /nfs/dbraw/zinc/39/85/91/488398591.db2.gz MYJMJGOSDPTTQO-OAHLLOKOSA-N 0 3 353.423 0.910 20 5 FCBDHN CC[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000268824267 488451911 /nfs/dbraw/zinc/45/19/11/488451911.db2.gz ILLAIKPSANGZJV-ZDUSSCGKSA-N 0 3 358.420 0.330 20 5 FCBDHN CC[C@H](N)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000269068674 488466557 /nfs/dbraw/zinc/46/65/57/488466557.db2.gz YFLAKVFXJHSOQL-LBPRGKRZSA-N 0 3 370.431 0.384 20 5 FCBDHN O=C(C[C@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269209044 488479130 /nfs/dbraw/zinc/47/91/30/488479130.db2.gz FYMLLTMPROVOMS-HNNXBMFYSA-N 0 3 362.386 0.258 20 5 FCBDHN Cn1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000093534717 488479418 /nfs/dbraw/zinc/47/94/18/488479418.db2.gz BRFTYPKRRDBYGS-GFCCVEGCSA-N 0 3 360.374 0.074 20 5 FCBDHN [NH3+]CCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269233941 488481440 /nfs/dbraw/zinc/48/14/40/488481440.db2.gz VJYCNLZJHMALIO-UHFFFAOYSA-N 0 3 372.447 0.899 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102489110 488497796 /nfs/dbraw/zinc/49/77/96/488497796.db2.gz YVWWDVPSYVNYCJ-CQSZACIVSA-N 0 3 366.466 0.916 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248827902 488503266 /nfs/dbraw/zinc/50/32/66/488503266.db2.gz HDJOWKNSSQITJM-SOUVJXGZSA-N 0 3 353.419 0.721 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269919238 488514357 /nfs/dbraw/zinc/51/43/57/488514357.db2.gz PLSSDEVUBYYNTP-INIZCTEOSA-N 0 3 352.391 0.144 20 5 FCBDHN C[C@@H](Cn1cccn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122294325 488577177 /nfs/dbraw/zinc/57/71/77/488577177.db2.gz GIQXWFCWAZVXMK-LBPRGKRZSA-N 0 3 353.404 0.748 20 5 FCBDHN COCCNCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262626530 488582947 /nfs/dbraw/zinc/58/29/47/488582947.db2.gz DOCGMNCWIGTILR-LLVKDONJSA-N 0 3 370.431 0.613 20 5 FCBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000123200013 488583927 /nfs/dbraw/zinc/58/39/27/488583927.db2.gz GOOAAOQMQATCQG-QMMMGPOBSA-N 0 3 350.194 0.998 20 5 FCBDHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262761259 488591121 /nfs/dbraw/zinc/59/11/21/488591121.db2.gz FYFOAHNWPZWHDV-VHSXEESVSA-N 0 3 357.388 0.785 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272852186 488611471 /nfs/dbraw/zinc/61/14/71/488611471.db2.gz QXUJBMBLYNRVDS-GDBMZVCRSA-N 0 3 350.375 0.517 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000273363399 488646382 /nfs/dbraw/zinc/64/63/82/488646382.db2.gz BGNLQHCGEQDQQF-UHFFFAOYSA-N 0 3 364.402 0.733 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000570016172 491210094 /nfs/dbraw/zinc/21/00/94/491210094.db2.gz YOWZPLLXJYODEC-NSHDSACASA-N 0 3 358.420 0.501 20 5 FCBDHN CCc1n[nH]c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264683573 488698249 /nfs/dbraw/zinc/69/82/49/488698249.db2.gz QJHRLCUOGDCQKH-LBPRGKRZSA-N 0 3 366.422 0.553 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000150907266 488700993 /nfs/dbraw/zinc/70/09/93/488700993.db2.gz QUNQBGFRBGSGRH-UHFFFAOYSA-N 0 3 366.403 0.783 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151618636 488707773 /nfs/dbraw/zinc/70/77/73/488707773.db2.gz DMOCOPQCGPFGDJ-CQSZACIVSA-N 0 3 361.402 0.437 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563083281 491214175 /nfs/dbraw/zinc/21/41/75/491214175.db2.gz FITUTYVLDJWJBT-JQWIXIFHSA-N 0 3 351.363 0.283 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152590105 488719712 /nfs/dbraw/zinc/71/97/12/488719712.db2.gz DZPJNWCHACLFPJ-INIZCTEOSA-N 0 3 360.414 0.902 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000152694937 488721535 /nfs/dbraw/zinc/72/15/35/488721535.db2.gz HPLDLAGRMXMVNF-AWEZNQCLSA-N 0 3 361.402 0.556 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000153183921 488728166 /nfs/dbraw/zinc/72/81/66/488728166.db2.gz GWTRVRUHHIUFBK-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071751 488758748 /nfs/dbraw/zinc/75/87/48/488758748.db2.gz AJUFGVUNBXVIDD-MWLCHTKSSA-N 0 3 365.312 0.153 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1 ZINC000267910394 488828739 /nfs/dbraw/zinc/82/87/39/488828739.db2.gz DKCRZFUAFXSJLI-UHFFFAOYSA-N 0 3 364.402 0.288 20 5 FCBDHN CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000280857794 489036271 /nfs/dbraw/zinc/03/62/71/489036271.db2.gz DAXAWRWBUSOPEZ-LBPRGKRZSA-N 0 3 370.431 0.426 20 5 FCBDHN C[C@H](CC[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280875593 489037906 /nfs/dbraw/zinc/03/79/06/489037906.db2.gz YJONHGUDIMFNPJ-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN C[NH+](C)C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330627463 489125432 /nfs/dbraw/zinc/12/54/32/489125432.db2.gz XGXUHHXQTNBQBI-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N(C)C ZINC000290267484 489125961 /nfs/dbraw/zinc/12/59/61/489125961.db2.gz VUQBKZMDIOYPBK-NSHDSACASA-N 0 3 358.420 0.793 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290534801 489147714 /nfs/dbraw/zinc/14/77/14/489147714.db2.gz HRSGSOUINRDUGF-UHFFFAOYSA-N 0 3 364.406 0.079 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(N3CCOCC3)c2)c1 ZINC000570509570 491245827 /nfs/dbraw/zinc/24/58/27/491245827.db2.gz FGOCDHVOCJLFNR-KRWDZBQOSA-N 0 3 361.402 0.779 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000298667015 489350740 /nfs/dbraw/zinc/35/07/40/489350740.db2.gz REIUIPLAKAEECF-MRXNPFEDSA-N 0 3 352.391 0.579 20 5 FCBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298689037 489352972 /nfs/dbraw/zinc/35/29/72/489352972.db2.gz CNSVOHVOHBELIA-UHFFFAOYSA-N 0 3 365.390 0.776 20 5 FCBDHN C[C@@H](CN(C)C)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000286534332 489401934 /nfs/dbraw/zinc/40/19/34/489401934.db2.gz VESHSEAJDJZHRZ-LBPRGKRZSA-N 0 3 372.447 0.978 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362932103 489406191 /nfs/dbraw/zinc/40/61/91/489406191.db2.gz NNVRWGAHTHYCTI-ZIAGYGMSSA-N 0 3 362.386 0.821 20 5 FCBDHN Cc1n[nH]c(C(=O)NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000299585071 489459084 /nfs/dbraw/zinc/45/90/84/489459084.db2.gz PMAAXOIOFPTFSZ-UHFFFAOYSA-N 0 3 373.417 0.963 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359654 489480464 /nfs/dbraw/zinc/48/04/64/489480464.db2.gz KXGVFVVGOAYYDY-JSGCOSHPSA-N 0 3 364.450 0.978 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359654 489480465 /nfs/dbraw/zinc/48/04/65/489480465.db2.gz KXGVFVVGOAYYDY-JSGCOSHPSA-N 0 3 364.450 0.978 20 5 FCBDHN C[C@@H]1CCN[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000423098834 489493279 /nfs/dbraw/zinc/49/32/79/489493279.db2.gz SPAWZGQQBFNTJW-BXUZGUMPSA-N 0 3 370.431 0.377 20 5 FCBDHN CC(C)[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000423213173 489503450 /nfs/dbraw/zinc/50/34/50/489503450.db2.gz KZFWQVNFPWFTFN-RISCZKNCSA-N 0 3 372.447 0.609 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371973264 489530996 /nfs/dbraw/zinc/53/09/96/489530996.db2.gz JBBVJTAHVSNCMR-ZDUSSCGKSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371973264 489531001 /nfs/dbraw/zinc/53/10/01/489531001.db2.gz JBBVJTAHVSNCMR-ZDUSSCGKSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371973264 489531004 /nfs/dbraw/zinc/53/10/04/489531004.db2.gz JBBVJTAHVSNCMR-ZDUSSCGKSA-N 0 3 363.418 0.936 20 5 FCBDHN CCCN(CCN1CCN(CC)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000426168801 489557312 /nfs/dbraw/zinc/55/73/12/489557312.db2.gz VDBQGUKBSZHIGG-UHFFFAOYSA-N 0 3 353.427 0.062 20 5 FCBDHN CNc1nccc(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000563896532 491276116 /nfs/dbraw/zinc/27/61/16/491276116.db2.gz JXGKHDRRYJRNMQ-UHFFFAOYSA-N 0 3 363.418 1.406 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000474352225 489757088 /nfs/dbraw/zinc/75/70/88/489757088.db2.gz KYZJYYTXUUIXTJ-AWEZNQCLSA-N 0 3 366.418 0.482 20 5 FCBDHN NC(=O)c1ccnc(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000431500591 489808474 /nfs/dbraw/zinc/80/84/74/489808474.db2.gz AXYCITDIBNVESY-UHFFFAOYSA-N 0 3 364.406 0.493 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000433206291 489872417 /nfs/dbraw/zinc/87/24/17/489872417.db2.gz GTKHEVVFDAIIAB-BZNIZROVSA-N 0 3 354.359 0.776 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420049492 489893562 /nfs/dbraw/zinc/89/35/62/489893562.db2.gz YIGUKXYFTDUOKD-AAEUAGOBSA-N 0 3 364.402 0.782 20 5 FCBDHN COC(=O)C[C@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000464601340 490061000 /nfs/dbraw/zinc/06/10/00/490061000.db2.gz YUIWOYQBXKJYDC-BLLLJJGKSA-N 0 3 354.359 0.646 20 5 FCBDHN CN(CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520034578 490108707 /nfs/dbraw/zinc/10/87/07/490108707.db2.gz KURUZLTWTHTSCY-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CCN(CC)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421991033 490123443 /nfs/dbraw/zinc/12/34/43/490123443.db2.gz PDYVJYXOYBBZKC-UHFFFAOYSA-N 0 3 372.447 0.673 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000521963045 490317933 /nfs/dbraw/zinc/31/79/33/490317933.db2.gz CIHFJQRTFHVUIC-OAHLLOKOSA-N 0 3 363.418 0.995 20 5 FCBDHN CCN(CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000522423504 490377269 /nfs/dbraw/zinc/37/72/69/490377269.db2.gz USASBBGHIWNGEV-UHFFFAOYSA-N 0 3 362.386 0.921 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449655740 490418682 /nfs/dbraw/zinc/41/86/82/490418682.db2.gz HSADIRMIHIYYTH-SKDRFNHKSA-N 0 3 356.329 0.827 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449662940 490420281 /nfs/dbraw/zinc/42/02/81/490420281.db2.gz HUKKYPCGLSFTGR-UWVGGRQHSA-N 0 3 360.365 0.941 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1CN(C)C ZINC000411328834 490431894 /nfs/dbraw/zinc/43/18/94/490431894.db2.gz JSYWVSVKKBJVGP-UHFFFAOYSA-N 0 3 374.401 0.916 20 5 FCBDHN CS(=O)(=O)Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564850248 491331418 /nfs/dbraw/zinc/33/14/18/491331418.db2.gz RFYCCCRAKNFOCN-OAHLLOKOSA-N 0 3 368.415 0.487 20 5 FCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422984178 490511786 /nfs/dbraw/zinc/51/17/86/490511786.db2.gz XJFPNZNFRUJPLN-FUNVUKJBSA-N 0 3 354.432 0.746 20 5 FCBDHN C[C@H]1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000524721237 490554491 /nfs/dbraw/zinc/55/44/91/490554491.db2.gz CKNRFQJKSKMGHD-NSHDSACASA-N 0 3 360.370 0.649 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000525616196 490615808 /nfs/dbraw/zinc/61/58/08/490615808.db2.gz LCHFKSYDJZHKOJ-WDEREUQCSA-N 0 3 360.370 0.790 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000537569166 490682194 /nfs/dbraw/zinc/68/21/94/490682194.db2.gz AEIKJNDWTJCKJL-UHFFFAOYSA-N 0 3 352.391 0.938 20 5 FCBDHN CN1CCN(C(=O)CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085812 490761907 /nfs/dbraw/zinc/76/19/07/490761907.db2.gz ZDBKJBGARBCJGX-AWEZNQCLSA-N 0 3 362.434 0.640 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000515814814 490839403 /nfs/dbraw/zinc/83/94/03/490839403.db2.gz SQPPXLQCUYQOKR-MRXNPFEDSA-N 0 3 353.375 0.799 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000516171602 490853962 /nfs/dbraw/zinc/85/39/62/490853962.db2.gz SEZUTRYRYLAHCU-QGZVFWFLSA-N 0 3 363.370 0.568 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000516572303 490868788 /nfs/dbraw/zinc/86/87/88/490868788.db2.gz LMDQBRNIXZIIAU-RYUDHWBXSA-N 0 3 368.415 0.084 20 5 FCBDHN CC[C@@H](CNS(C)(=O)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517359867 490905645 /nfs/dbraw/zinc/90/56/45/490905645.db2.gz UFNSOWZEBHWGPW-NSHDSACASA-N 0 3 358.420 0.841 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518003239 490928210 /nfs/dbraw/zinc/92/82/10/490928210.db2.gz OKVTWATTWDNKTN-UHFFFAOYSA-N 0 3 350.375 0.691 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000543725314 490943904 /nfs/dbraw/zinc/94/39/04/490943904.db2.gz MOWDLMNYJOMENX-UHFFFAOYSA-N 0 3 372.491 0.892 20 5 FCBDHN CCCc1n[nH]c(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000519599132 490978457 /nfs/dbraw/zinc/97/84/57/490978457.db2.gz HQRMNRAGLWYTAQ-NSHDSACASA-N 0 3 362.394 0.798 20 5 FCBDHN CCCc1[nH]nc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000519599132 490978459 /nfs/dbraw/zinc/97/84/59/490978459.db2.gz HQRMNRAGLWYTAQ-NSHDSACASA-N 0 3 362.394 0.798 20 5 FCBDHN CCc1n[nH]c(=O)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1CC ZINC000572475584 491372476 /nfs/dbraw/zinc/37/24/76/491372476.db2.gz KNTRZHTXJQGXCE-LLVKDONJSA-N 0 3 350.379 0.562 20 5 FCBDHN NC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000572872507 491398880 /nfs/dbraw/zinc/39/88/80/491398880.db2.gz ACRLPCVRCXAPFP-UHFFFAOYSA-N 0 3 368.415 0.309 20 5 FCBDHN C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566071473 491415808 /nfs/dbraw/zinc/41/58/08/491415808.db2.gz OCZZTYBTQMWMRU-GHMZBOCLSA-N 0 3 356.404 0.069 20 5 FCBDHN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566071482 491415823 /nfs/dbraw/zinc/41/58/23/491415823.db2.gz OCZZTYBTQMWMRU-QWRGUYRKSA-N 0 3 356.404 0.069 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)CN2CCCCC2)cc1 ZINC000573248832 491422490 /nfs/dbraw/zinc/42/24/90/491422490.db2.gz JYKRUAIKKKGPGH-OAHLLOKOSA-N 0 3 371.459 0.805 20 5 FCBDHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573562289 491440550 /nfs/dbraw/zinc/44/05/50/491440550.db2.gz XJGBFWNIZKOJSU-GHMZBOCLSA-N 0 3 373.435 0.298 20 5 FCBDHN C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000573696522 491449107 /nfs/dbraw/zinc/44/91/07/491449107.db2.gz LOPDNOZHOMGURW-JSGCOSHPSA-N 0 3 362.434 0.670 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000574003107 491468453 /nfs/dbraw/zinc/46/84/53/491468453.db2.gz VKKFENHPXCCVJF-LLVKDONJSA-N 0 3 352.391 0.790 20 5 FCBDHN C[C@@H]1COCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640859 491488919 /nfs/dbraw/zinc/48/89/19/491488919.db2.gz SSQYJUMVKYCPPN-CJNGLKHVSA-N 0 3 353.423 0.337 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000567707591 491524444 /nfs/dbraw/zinc/52/44/44/491524444.db2.gz YXDHQESMJYKFRC-VXGBXAGGSA-N 0 3 367.328 0.005 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CCN2C1=O ZINC000575196029 491545031 /nfs/dbraw/zinc/54/50/31/491545031.db2.gz BWRSTANUIMHUAE-NWDGAFQWSA-N 0 3 370.369 0.165 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000560636001 491548144 /nfs/dbraw/zinc/54/81/44/491548144.db2.gz RPLWNWLSHDGZJM-RYUDHWBXSA-N 0 3 370.793 0.111 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000577275324 491608332 /nfs/dbraw/zinc/60/83/32/491608332.db2.gz UUBHIIZSSMDTQZ-IMJJTQAJSA-N 0 3 367.402 0.560 20 5 FCBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)NCCN(C)C ZINC000568859985 491614771 /nfs/dbraw/zinc/61/47/71/491614771.db2.gz IPOZCXZYEJRLEX-NSHDSACASA-N 0 3 359.386 0.939 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000576755515 491642092 /nfs/dbraw/zinc/64/20/92/491642092.db2.gz OICNMALHPUGHER-CABCVRRESA-N 0 3 353.419 0.771 20 5 FCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000561967922 491643506 /nfs/dbraw/zinc/64/35/06/491643506.db2.gz KGDRZAFKASRUGX-LLVKDONJSA-N 0 3 352.391 0.790 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578846111 491685641 /nfs/dbraw/zinc/68/56/41/491685641.db2.gz IMFRZBLKWKIGGU-NSHDSACASA-N 0 3 351.359 0.900 20 5 FCBDHN C[C@@H]1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1ccccc1 ZINC000578859616 491685819 /nfs/dbraw/zinc/68/58/19/491685819.db2.gz RATAOYOXEPEHGH-UHOFOFEASA-N 0 3 359.386 0.936 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000578979993 491688132 /nfs/dbraw/zinc/68/81/32/491688132.db2.gz NZYQWCZXLDSAMK-HZPDHXFCSA-N 0 3 359.386 0.543 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000578979991 491688224 /nfs/dbraw/zinc/68/82/24/491688224.db2.gz NZYQWCZXLDSAMK-CVEARBPZSA-N 0 3 359.386 0.543 20 5 FCBDHN CN1CC[NH+](CCC(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000579487454 491699044 /nfs/dbraw/zinc/69/90/44/491699044.db2.gz MLUTWIXCRFNCJA-UHFFFAOYSA-N 0 3 351.407 0.841 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000588224627 491742271 /nfs/dbraw/zinc/74/22/71/491742271.db2.gz ZIWSTGVBKLHLTR-MNOVXSKESA-N 0 3 374.401 0.686 20 5 FCBDHN COc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000581666142 491781917 /nfs/dbraw/zinc/78/19/17/491781917.db2.gz BYRSHTDDFNWEJN-UHFFFAOYSA-N 0 3 361.362 0.692 20 5 FCBDHN O=C(CN[C@@H](CO)C1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582440723 491812404 /nfs/dbraw/zinc/81/24/04/491812404.db2.gz ZZLRLCACTFJLFE-LBPRGKRZSA-N 0 3 367.358 0.639 20 5 FCBDHN CS(=O)(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591770701 491823339 /nfs/dbraw/zinc/82/33/39/491823339.db2.gz ZLPIEWNOXAWPLF-ZDUSSCGKSA-N 0 3 354.388 0.346 20 5 FCBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595274816 491909994 /nfs/dbraw/zinc/90/99/94/491909994.db2.gz ALTFRHYFTAGFBK-UHFFFAOYSA-N 0 3 360.374 0.933 20 5 FCBDHN C[C@@H]1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CN)C1 ZINC000595279534 491912163 /nfs/dbraw/zinc/91/21/63/491912163.db2.gz MHDQGIWHUGBPFB-PWSUYJOCSA-N 0 3 374.401 0.673 20 5 FCBDHN Cc1c(CN)c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000595963051 491966148 /nfs/dbraw/zinc/96/61/48/491966148.db2.gz YOVGOZZTGJZXFC-SECBINFHSA-N 0 3 360.374 0.852 20 5 FCBDHN NC(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596113005 491975765 /nfs/dbraw/zinc/97/57/65/491975765.db2.gz ZLIFDPJNUNBFNF-UHFFFAOYSA-N 0 3 361.402 0.438 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1O ZINC000596600104 491992569 /nfs/dbraw/zinc/99/25/69/491992569.db2.gz COYWAJOGNYVDEN-HOTGVXAUSA-N 0 3 361.402 0.935 20 5 FCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000602784729 491998391 /nfs/dbraw/zinc/99/83/91/491998391.db2.gz JMEWRTGKKNEDLV-CQSZACIVSA-N 0 3 350.423 0.338 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)N1CC[C@H](N(C)C)C1 ZINC000597691913 492060134 /nfs/dbraw/zinc/06/01/34/492060134.db2.gz ILUFLCDOAAMIOS-AAEUAGOBSA-N 0 3 366.422 0.625 20 5 FCBDHN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000597701905 492060543 /nfs/dbraw/zinc/06/05/43/492060543.db2.gz XDMMLAMFMATYBZ-NEPJUHHUSA-N 0 3 370.431 0.424 20 5 FCBDHN Cc1cc(OCC(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000598184154 492087898 /nfs/dbraw/zinc/08/78/98/492087898.db2.gz MALPBPWKODCAQK-UHFFFAOYSA-N 0 3 366.418 0.760 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598868333 492119977 /nfs/dbraw/zinc/11/99/77/492119977.db2.gz RSPXVILEVSWSCG-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN COc1cc(CNCCCN(C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000608781922 492193147 /nfs/dbraw/zinc/19/31/47/492193147.db2.gz DYRPHSLZFSJILL-UHFFFAOYSA-N 0 3 361.420 0.983 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599940072 492219371 /nfs/dbraw/zinc/21/93/71/492219371.db2.gz KQBBUHKQYJYQEZ-SNVBAGLBSA-N 0 3 351.338 0.572 20 5 FCBDHN CC(C)(C(=O)NC1CCN([C@H]2CCOC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000610925195 492269882 /nfs/dbraw/zinc/26/98/82/492269882.db2.gz XNKYEMIGFBHVHV-ZDUSSCGKSA-N 0 3 351.407 0.896 20 5 FCBDHN NS(=O)(=O)c1c(NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611165804 492280103 /nfs/dbraw/zinc/28/01/03/492280103.db2.gz QRTZDVBLPLSJDG-LBPRGKRZSA-N 0 3 370.431 0.907 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@](C)(O)CCN(C)C ZINC000420017985 535809393 /nfs/dbraw/zinc/80/93/93/535809393.db2.gz PIEHOUDALICQDL-MLGOLLRUSA-N 0 3 370.454 0.646 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)cc1[N+](=O)[O-] ZINC000418949144 536863924 /nfs/dbraw/zinc/86/39/24/536863924.db2.gz RDSJKIDWOOPHQF-LBPRGKRZSA-N 0 3 350.375 0.559 20 5 FCBDHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000591917466 546943070 /nfs/dbraw/zinc/94/30/70/546943070.db2.gz PCPDRULQQIQBRD-CYBMUJFWSA-N 0 3 356.404 0.165 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1)OCCO2 ZINC000592366687 546948378 /nfs/dbraw/zinc/94/83/78/546948378.db2.gz BQZLWLZIKAKUKW-SNVBAGLBSA-N 0 3 357.388 0.786 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000592429172 546949780 /nfs/dbraw/zinc/94/97/80/546949780.db2.gz BJFGHTQIYRXHMB-GXTWGEPZSA-N 0 3 350.379 0.008 20 5 FCBDHN CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544722 546953215 /nfs/dbraw/zinc/95/32/15/546953215.db2.gz IKPKKVQTTKOLPX-NWDGAFQWSA-N 0 3 370.431 0.459 20 5 FCBDHN CS(=O)(=O)N1CCN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493964 547000941 /nfs/dbraw/zinc/00/09/41/547000941.db2.gz CKXZMYSDOZZOMB-HNNXBMFYSA-N 0 3 368.459 0.749 20 5 FCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594765297 547006925 /nfs/dbraw/zinc/00/69/25/547006925.db2.gz JQGIHSHYHUJGON-OAHLLOKOSA-N 0 3 368.415 0.734 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000552064648 547323906 /nfs/dbraw/zinc/32/39/06/547323906.db2.gz FFRVXRUVDIAPJV-OLZOCXBDSA-N 0 3 354.359 0.776 20 5 FCBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736144670 598501970 /nfs/dbraw/zinc/50/19/70/598501970.db2.gz QJGVEKKLPDFSBW-SNVBAGLBSA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736144670 598501971 /nfs/dbraw/zinc/50/19/71/598501971.db2.gz QJGVEKKLPDFSBW-SNVBAGLBSA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736144670 598501972 /nfs/dbraw/zinc/50/19/72/598501972.db2.gz QJGVEKKLPDFSBW-SNVBAGLBSA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736144670 598501973 /nfs/dbraw/zinc/50/19/73/598501973.db2.gz QJGVEKKLPDFSBW-SNVBAGLBSA-N 0 3 362.394 0.451 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239429 674492563 /nfs/dbraw/zinc/49/25/63/674492563.db2.gz HLARHGDSEKTPLW-CHWSQXEVSA-N 0 3 350.375 0.289 20 5 FCBDHN O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000826499273 607978205 /nfs/dbraw/zinc/97/82/05/607978205.db2.gz CAEMOXUXNDFZIS-LBPRGKRZSA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000826499273 607978206 /nfs/dbraw/zinc/97/82/06/607978206.db2.gz CAEMOXUXNDFZIS-LBPRGKRZSA-N 0 3 369.389 0.845 20 5 FCBDHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105538 669827691 /nfs/dbraw/zinc/82/76/91/669827691.db2.gz OFFWZRORDYVPEB-NSHDSACASA-N 0 3 360.388 0.742 20 5 FCBDHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104054 669827802 /nfs/dbraw/zinc/82/78/02/669827802.db2.gz JGUULOVXIFRVOW-JTQLQIEISA-N 0 3 373.387 0.474 20 5 FCBDHN CC(COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[N+](=O)[O-] ZINC000813114758 669828334 /nfs/dbraw/zinc/82/83/34/669828334.db2.gz GHYXUIZWTSDLHB-ZCFIWIBFSA-N 0 3 374.151 0.101 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813113980 669828442 /nfs/dbraw/zinc/82/84/42/669828442.db2.gz KOPMPIGTGODQEQ-DGCLKSJQSA-N 0 3 372.399 0.966 20 5 FCBDHN CC(COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113069 669828495 /nfs/dbraw/zinc/82/84/95/669828495.db2.gz ADHPTTBFBKQPCD-GHMZBOCLSA-N 0 3 359.379 0.711 20 5 FCBDHN CN1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000831778941 669867441 /nfs/dbraw/zinc/86/74/41/669867441.db2.gz YHXXMXXGPNDCAX-OAHLLOKOSA-N 0 3 350.419 0.770 20 5 FCBDHN CC(C)(C)n1nnc(CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n1 ZINC001691209153 1170859654 /nfs/dbraw/zinc/85/96/54/1170859654.db2.gz PHKYVOICVBKTCZ-CHWSQXEVSA-N 0 3 365.438 0.216 20 5 FCBDHN CN(C)C(=O)C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000553253614 1193982217 /nfs/dbraw/zinc/98/22/17/1193982217.db2.gz SUAUEVMSBMPEFY-HZPDHXFCSA-N 0 3 361.402 0.961 20 5 FCBDHN CC(C)(C)C(=O)N1CCC(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001030292776 1196621400 /nfs/dbraw/zinc/62/14/00/1196621400.db2.gz VGBCNCVKHDXUKY-HUUCEWRRSA-N 0 3 366.462 0.737 20 5 FCBDHN CN1CCN(CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915283229 1198006275 /nfs/dbraw/zinc/00/62/75/1198006275.db2.gz VIQOUZVRBUFIER-UHFFFAOYSA-N 0 3 360.418 0.698 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nnc3n2CCCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082719 1198140445 /nfs/dbraw/zinc/14/04/45/1198140445.db2.gz BLWHRBMIOFJNNR-XJFOESAGSA-N 0 3 362.434 0.654 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nc(-c3ccco3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083114 1198141034 /nfs/dbraw/zinc/14/10/34/1198141034.db2.gz OCHFEHIRVSKZLR-WRWGMCAJSA-N 0 3 361.358 0.979 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2cn(-c3ccccc3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086364220 1198329807 /nfs/dbraw/zinc/32/98/07/1198329807.db2.gz XGKNHRRHOQXKAL-BQGCOEIASA-N 0 3 370.413 0.917 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)N[C@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000808219786 1202876502 /nfs/dbraw/zinc/87/65/02/1202876502.db2.gz RXFIOHHWSOFZIV-AWEZNQCLSA-N 0 3 364.402 0.206 20 5 FCBDHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846959968 1204675263 /nfs/dbraw/zinc/67/52/63/1204675263.db2.gz SQABYYMGQCXXKZ-JKSUJKDBSA-N 0 3 362.430 0.992 20 5 FCBDHN CN1CCN(C2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827435519 1216601060 /nfs/dbraw/zinc/60/10/60/1216601060.db2.gz LZINMBVAQMJDOJ-KRWDZBQOSA-N 0 3 362.430 0.867 20 5 FCBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001069286131 1216781912 /nfs/dbraw/zinc/78/19/12/1216781912.db2.gz DCZSNYFMQVESMN-VXGBXAGGSA-N 0 3 364.406 0.290 20 5 FCBDHN CCC1(NC(=O)Cn2cncc2C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367879 1216786010 /nfs/dbraw/zinc/78/60/10/1216786010.db2.gz GCNRWWAKFCYLQD-ZIAGYGMSSA-N 0 3 363.418 0.744 20 5 FCBDHN CCN(C)C(=O)CN1CCC(CCOC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001151121366 1222916540 /nfs/dbraw/zinc/91/65/40/1222916540.db2.gz NIVFPAGABVOCLY-ZIAGYGMSSA-N 0 3 370.450 0.117 20 5 FCBDHN O=c1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)nc2n1CCCNC2 ZINC001163118428 1223226904 /nfs/dbraw/zinc/22/69/04/1223226904.db2.gz SBXCXXRCXMYVML-UHFFFAOYSA-N 0 3 356.386 0.860 20 5 FCBDHN CCn1c(N)c(Nc2cc3c(cc2[N+](=O)[O-])CNC3)c(=O)n(CC)c1=O ZINC001164470732 1223238928 /nfs/dbraw/zinc/23/89/28/1223238928.db2.gz HEORGLXDZVGVHE-UHFFFAOYSA-N 0 3 360.374 0.887 20 5 FCBDHN COCCc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997767608 1251694846 /nfs/dbraw/zinc/69/48/46/1251694846.db2.gz IKSWCBUHPOBECA-CHWSQXEVSA-N 0 3 367.406 0.252 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555930 1259889398 /nfs/dbraw/zinc/88/93/98/1259889398.db2.gz JQEFHAVBYSFXCK-SCLBCKFNSA-N 0 3 360.414 0.949 20 5 FCBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001338017290 1260538237 /nfs/dbraw/zinc/53/82/37/1260538237.db2.gz ZCWBWQXJZPSZAC-UHFFFAOYSA-N 0 3 351.455 0.241 20 5 FCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[C@H]1N1CCN(C)CC1 ZINC001320275450 1263780386 /nfs/dbraw/zinc/78/03/86/1263780386.db2.gz OFYGFWOSQHTIPP-SWLSCSKDSA-N 0 3 362.434 0.670 20 5 FCBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001339338145 1268215209 /nfs/dbraw/zinc/21/52/09/1268215209.db2.gz FOYIMVZWZXRQMB-ZDUSSCGKSA-N 0 3 351.455 0.852 20 5 FCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001340876270 1268690473 /nfs/dbraw/zinc/69/04/73/1268690473.db2.gz XVOOCIFKKYRNLG-MRXNPFEDSA-N 0 3 360.414 0.950 20 5 FCBDHN C[N@H+](CCc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231290 1277039270 /nfs/dbraw/zinc/03/92/70/1277039270.db2.gz AAOOEKLMWUPIRC-OAHLLOKOSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@@H+](CCc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231290 1277039274 /nfs/dbraw/zinc/03/92/74/1277039274.db2.gz AAOOEKLMWUPIRC-OAHLLOKOSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@H+](CCc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231290 1277039276 /nfs/dbraw/zinc/03/92/76/1277039276.db2.gz AAOOEKLMWUPIRC-OAHLLOKOSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@@H+](CCc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231290 1277039277 /nfs/dbraw/zinc/03/92/77/1277039277.db2.gz AAOOEKLMWUPIRC-OAHLLOKOSA-N 0 3 372.389 0.507 20 5 FCBDHN CC(C)[NH2+]C1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589725419 1282962322 /nfs/dbraw/zinc/96/23/22/1282962322.db2.gz UCIZEUYNMYHRCW-UHFFFAOYSA-N 0 3 362.394 0.499 20 5 FCBDHN CC(C)[NH2+]C1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589725419 1282962329 /nfs/dbraw/zinc/96/23/29/1282962329.db2.gz UCIZEUYNMYHRCW-UHFFFAOYSA-N 0 3 362.394 0.499 20 5 FCBDHN CCN1CCN(C2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)CC1 ZINC001590735322 1283773721 /nfs/dbraw/zinc/77/37/21/1283773721.db2.gz STNWZDSVPUONQA-UHFFFAOYSA-N 0 3 358.406 0.601 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604682673 1287729188 /nfs/dbraw/zinc/72/91/88/1287729188.db2.gz JBKKNDDFWMCGSU-ONEGZZNKSA-N 0 3 374.405 0.811 20 5 FCBDHN CN(CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001604709916 1287746772 /nfs/dbraw/zinc/74/67/72/1287746772.db2.gz LGKCFIGXDLJZRO-UHFFFAOYSA-N 0 3 374.405 0.787 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC001592758653 1285680126 /nfs/dbraw/zinc/68/01/26/1285680126.db2.gz ZWMUBZUVRWREBP-NSHDSACASA-N 0 3 374.405 0.516 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC001592758653 1285680130 /nfs/dbraw/zinc/68/01/30/1285680130.db2.gz ZWMUBZUVRWREBP-NSHDSACASA-N 0 3 374.405 0.516 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])CCO2 ZINC001609284197 1289047351 /nfs/dbraw/zinc/04/73/51/1289047351.db2.gz FVNQHWVAJIQNBF-UHFFFAOYSA-N 0 3 360.378 0.471 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])CCO2 ZINC001609284197 1289047359 /nfs/dbraw/zinc/04/73/59/1289047359.db2.gz FVNQHWVAJIQNBF-UHFFFAOYSA-N 0 3 360.378 0.471 20 5 FCBDHN O=[N+]([O-])c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1-c1nnn[n-]1 ZINC001593471626 1286172301 /nfs/dbraw/zinc/17/23/01/1286172301.db2.gz PRXLFZLCRLKUKN-GFCCVEGCSA-N 0 3 359.390 0.933 20 5 FCBDHN CNC(=O)CN1CCCC12CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2 ZINC001164685731 719719130 /nfs/dbraw/zinc/71/91/30/719719130.db2.gz NIJZMGFVYQALDH-UHFFFAOYSA-N 0 3 364.406 0.574 20 5 FCBDHN CCCCn1nnnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084125 842118622 /nfs/dbraw/zinc/11/86/22/842118622.db2.gz DOSVLEAAHYRYQR-YVECIDJPSA-N 0 3 351.411 0.123 20 5 FCBDHN COC(=O)c1nc(Cl)nc(N2CCOC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC001154967342 849824973 /nfs/dbraw/zinc/82/49/73/849824973.db2.gz IDNHAEGPCWGUFE-MRVPVSSYSA-N 0 3 359.770 0.592 20 5 FCBDHN COc1ncnc(-n2cc(Br)ccc2=NCCN)c1[N+](=O)[O-] ZINC001160973215 850216111 /nfs/dbraw/zinc/21/61/11/850216111.db2.gz HETMYIABCUDVOL-UHFFFAOYSA-N 0 3 369.179 0.806 20 5 FCBDHN O=C(CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001223106691 856896675 /nfs/dbraw/zinc/89/66/75/856896675.db2.gz XMSYKJSYSFFGFI-HUUCEWRRSA-N 0 3 352.435 0.396 20 5 FCBDHN CS(=O)(=O)N1CC(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254466877 857973559 /nfs/dbraw/zinc/97/35/59/857973559.db2.gz RDZYHTLHPQNCFX-UHFFFAOYSA-N 0 3 354.432 0.797 20 5 FCBDHN COc1cc(N2CCC(N(C)S(=O)(=O)CCN)CC2)ccc1[N+](=O)[O-] ZINC001256086618 858053253 /nfs/dbraw/zinc/05/32/53/858053253.db2.gz ZHFVZZGZHJVMDM-UHFFFAOYSA-N 0 3 372.447 0.793 20 5 FCBDHN CN(CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001303625727 866445824 /nfs/dbraw/zinc/44/58/24/866445824.db2.gz BQKSRASAAAWGBT-NSHDSACASA-N 0 3 370.431 0.301 20 5 FCBDHN CN(C)[C@]1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC001321547775 868511372 /nfs/dbraw/zinc/51/13/72/868511372.db2.gz WGVIRDQSWQLMDS-INIZCTEOSA-N 0 3 366.443 0.765 20 5 FCBDHN COc1cc(CNCC2(O)CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1O ZINC001321651879 868554103 /nfs/dbraw/zinc/55/41/03/868554103.db2.gz WAXUGALMOTZZJL-UHFFFAOYSA-N 0 3 360.388 0.338 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCCC1 ZINC000293528975 214181464 /nfs/dbraw/zinc/18/14/64/214181464.db2.gz DTJOMPXBGANGHA-CQSZACIVSA-N 0 3 364.402 0.288 20 5 FCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937970 210252874 /nfs/dbraw/zinc/25/28/74/210252874.db2.gz GNMNBGZCEJPSLH-YPMHNXCESA-N 0 3 374.397 0.989 20 5 FCBDHN CN(C)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265671642 210194137 /nfs/dbraw/zinc/19/41/37/210194137.db2.gz NWYBBYFJHHQUCZ-UHFFFAOYSA-N 0 3 352.347 0.372 20 5 FCBDHN CN(CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000265640808 210184242 /nfs/dbraw/zinc/18/42/42/210184242.db2.gz LUUVQSIYHYZNLO-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332163508 215103574 /nfs/dbraw/zinc/10/35/74/215103574.db2.gz QJPPNLDGNPQIFC-NWDGAFQWSA-N 0 3 362.386 0.919 20 5 FCBDHN CCN(C)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264916001 210013544 /nfs/dbraw/zinc/01/35/44/210013544.db2.gz OLIXSPFZTILOBU-UHFFFAOYSA-N 0 3 373.435 0.112 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000411573274 237013026 /nfs/dbraw/zinc/01/30/26/237013026.db2.gz SSBZTOOMLHMSBI-AWEZNQCLSA-N 0 3 364.402 0.805 20 5 FCBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368312345 216231412 /nfs/dbraw/zinc/23/14/12/216231412.db2.gz LKPXCHVMSHLDID-VROVMSAKSA-N 0 3 362.205 0.853 20 5 FCBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189932541 209263208 /nfs/dbraw/zinc/26/32/08/209263208.db2.gz YQYLVZSGRWKWSY-LBPRGKRZSA-N 0 3 350.419 0.971 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@H](C)[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000277537486 212371921 /nfs/dbraw/zinc/37/19/21/212371921.db2.gz WHUYIZCRXFSVMY-NXEZZACHSA-N 0 3 356.404 0.373 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC[NH+](C)C ZINC000276289596 212206308 /nfs/dbraw/zinc/20/63/08/212206308.db2.gz ZNZIOUSLRRCWER-SNVBAGLBSA-N 0 3 359.404 1.000 20 5 FCBDHN CCN1CCN(CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000183772170 209152623 /nfs/dbraw/zinc/15/26/23/209152623.db2.gz LYFHWEBRKCKSND-UHFFFAOYSA-N 0 3 371.463 0.682 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000375819101 217321008 /nfs/dbraw/zinc/32/10/08/217321008.db2.gz XUNNSWWISYBCGV-NXHRZFHOSA-N 0 3 365.430 0.866 20 5 FCBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419350462 246111452 /nfs/dbraw/zinc/11/14/52/246111452.db2.gz NPMJLJXXUQUHLT-OAHLLOKOSA-N 0 3 364.402 0.138 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)c([N+](=O)[O-])c1 ZINC000419456253 246171273 /nfs/dbraw/zinc/17/12/73/246171273.db2.gz RZRPIDMOHXVPKV-AWEZNQCLSA-N 0 3 363.418 0.675 20 5 FCBDHN COc1cc(OCC(=O)NC[C@@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000420052840 246440674 /nfs/dbraw/zinc/44/06/74/246440674.db2.gz XCLXIKCYBDCTEP-INIZCTEOSA-N 0 3 355.391 0.801 20 5 FCBDHN C[C@H]1[NH2+]CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423621669 247079335 /nfs/dbraw/zinc/07/93/35/247079335.db2.gz YFKAZMHQQFUBCS-GHMZBOCLSA-N 0 3 356.404 0.130 20 5 FCBDHN Cc1cc(=O)c(C(=O)NC[C@H]2CNCCO2)nn1-c1ccccc1[N+](=O)[O-] ZINC000423992215 247158158 /nfs/dbraw/zinc/15/81/58/247158158.db2.gz NYFSWFIAHXAHQV-GFCCVEGCSA-N 0 3 373.369 0.167 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424296596 247195456 /nfs/dbraw/zinc/19/54/56/247195456.db2.gz RZVYKNMIJJEXIM-UONOGXRCSA-N 0 3 374.401 0.702 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440499690 248191501 /nfs/dbraw/zinc/19/15/01/248191501.db2.gz BDKQDVVJSNQIDY-SFHVURJKSA-N 0 3 373.413 0.853 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271278655 211370673 /nfs/dbraw/zinc/37/06/73/211370673.db2.gz AXURLAVJWMQXAU-UHFFFAOYSA-N 0 3 364.431 0.967 20 5 FCBDHN C[C@@H](CC(=O)N(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268870051 210875209 /nfs/dbraw/zinc/87/52/09/210875209.db2.gz XLJDTBSUHABRQT-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN CN1CCN(C(=O)CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000074137436 208051106 /nfs/dbraw/zinc/05/11/06/208051106.db2.gz FDJSMZBIWRVJIE-UHFFFAOYSA-N 0 3 360.374 0.365 20 5 FCBDHN CCCCNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588764 208063303 /nfs/dbraw/zinc/06/33/03/208063303.db2.gz NBCZTDCLUYULFN-OAHLLOKOSA-N 0 3 353.423 0.781 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000174787081 229212107 /nfs/dbraw/zinc/21/21/07/229212107.db2.gz KUHVOCLBISBFBY-GXTWGEPZSA-N 0 3 361.406 0.570 20 5 FCBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000278324001 488868446 /nfs/dbraw/zinc/86/84/46/488868446.db2.gz FGPIDXBPJLSTBA-CYBMUJFWSA-N 0 3 364.402 0.468 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278575466 488882418 /nfs/dbraw/zinc/88/24/18/488882418.db2.gz XVUWKYGOVICUBN-GFCCVEGCSA-N 0 3 351.407 0.811 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000041923039 487847098 /nfs/dbraw/zinc/84/70/98/487847098.db2.gz SDBIJFBSEKBPFX-UHFFFAOYSA-N 0 3 368.390 0.626 20 5 FCBDHN COC(=O)c1cnc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000364500783 488966289 /nfs/dbraw/zinc/96/62/89/488966289.db2.gz KIMQDXDBOMXTCV-CQSZACIVSA-N 0 3 363.418 0.993 20 5 FCBDHN CC1CCN(C[C@H](O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000067373200 488349497 /nfs/dbraw/zinc/34/94/97/488349497.db2.gz NROUNFVRXHASJB-GFCCVEGCSA-N 0 3 372.447 0.747 20 5 FCBDHN CC1CCN(C[C@@H](O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000067373203 488349604 /nfs/dbraw/zinc/34/96/04/488349604.db2.gz NROUNFVRXHASJB-LBPRGKRZSA-N 0 3 372.447 0.747 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090553841 488460282 /nfs/dbraw/zinc/46/02/82/488460282.db2.gz SEJUOXMLTQNPAS-UHFFFAOYSA-N 0 3 365.434 0.146 20 5 FCBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569867942 491200284 /nfs/dbraw/zinc/20/02/84/491200284.db2.gz QEAVCZLDRWHCAL-ZWNOBZJWSA-N 0 3 357.370 0.900 20 5 FCBDHN CC(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247490623 488486156 /nfs/dbraw/zinc/48/61/56/488486156.db2.gz KXBNTENQOKLWLN-UKRRQHHQSA-N 0 3 353.423 0.636 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000102489018 488497925 /nfs/dbraw/zinc/49/79/25/488497925.db2.gz IERNAEIEPGJFSP-CYBMUJFWSA-N 0 3 366.466 0.798 20 5 FCBDHN CCN1CCC(NC(=O)Cn2cc(C(=O)OC)cc([N+](=O)[O-])c2=O)CC1 ZINC000106199981 488513172 /nfs/dbraw/zinc/51/31/72/488513172.db2.gz XRDQRBPEPUPFHJ-UHFFFAOYSA-N 0 3 366.374 0.144 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261742274 488533559 /nfs/dbraw/zinc/53/35/59/488533559.db2.gz KTQGYDANIUYZKW-AWEZNQCLSA-N 0 3 374.401 0.922 20 5 FCBDHN CC(C)(N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262226974 488557887 /nfs/dbraw/zinc/55/78/87/488557887.db2.gz NPNPKOPODBATSI-UHFFFAOYSA-N 0 3 356.404 0.165 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CCCCN2)c([N+](=O)[O-])c1 ZINC000262459705 488571568 /nfs/dbraw/zinc/57/15/68/488571568.db2.gz VKRIRPWGNWOEPD-CYBMUJFWSA-N 0 3 370.431 0.669 20 5 FCBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000123199798 488583717 /nfs/dbraw/zinc/58/37/17/488583717.db2.gz GOOAAOQMQATCQG-MRVPVSSYSA-N 0 3 350.194 0.998 20 5 FCBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000262813951 488594843 /nfs/dbraw/zinc/59/48/43/488594843.db2.gz YVKYNRUSESSHRI-UHFFFAOYSA-N 0 3 354.388 0.657 20 5 FCBDHN COCCN(C)CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000272814799 488607738 /nfs/dbraw/zinc/60/77/38/488607738.db2.gz KCLDLQZVBGPANT-UHFFFAOYSA-N 0 3 366.418 0.718 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133365148 488659646 /nfs/dbraw/zinc/65/96/46/488659646.db2.gz HRNRTBZZJXMSPW-CYBMUJFWSA-N 0 3 352.439 0.632 20 5 FCBDHN CCN1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274541084 488718223 /nfs/dbraw/zinc/71/82/23/488718223.db2.gz UJVYXPJJRLGJNW-UHFFFAOYSA-N 0 3 363.418 0.078 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000153166709 488727749 /nfs/dbraw/zinc/72/77/49/488727749.db2.gz WPHURQUGKWXUFW-LBPRGKRZSA-N 0 3 364.406 0.015 20 5 FCBDHN CN(C)CCN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267154767 488765492 /nfs/dbraw/zinc/76/54/92/488765492.db2.gz XJSKKQRMFDPOGF-UHFFFAOYSA-N 0 3 358.420 0.235 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159809320 488787869 /nfs/dbraw/zinc/78/78/69/488787869.db2.gz CWKXAJBMDNPHTD-UHFFFAOYSA-N 0 3 365.434 0.243 20 5 FCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000267558134 488797538 /nfs/dbraw/zinc/79/75/38/488797538.db2.gz ABKQDMRPIMOGOF-CQSZACIVSA-N 0 3 366.418 0.548 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000171559890 488823861 /nfs/dbraw/zinc/82/38/61/488823861.db2.gz QLNVNBTZLJKGGI-UHFFFAOYSA-N 0 3 366.422 0.263 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(CC2CCOCC2)CC1 ZINC000172461740 488834460 /nfs/dbraw/zinc/83/44/60/488834460.db2.gz BNDDNGVZSHRFIS-UHFFFAOYSA-N 0 3 364.402 0.327 20 5 FCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000173517983 488843262 /nfs/dbraw/zinc/84/32/62/488843262.db2.gz ALNZQYQVNHHZLG-UHFFFAOYSA-N 0 3 360.414 0.904 20 5 FCBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000288364235 488974379 /nfs/dbraw/zinc/97/43/79/488974379.db2.gz HHYRXZXPMOFRMM-GFCCVEGCSA-N 0 3 374.401 0.640 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000288548162 488991360 /nfs/dbraw/zinc/99/13/60/488991360.db2.gz IPSQNHUHVRYFFX-LBPRGKRZSA-N 0 3 350.375 0.524 20 5 FCBDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000364917026 489017017 /nfs/dbraw/zinc/01/70/17/489017017.db2.gz JSOIFAILSNTFML-OAHLLOKOSA-N 0 3 368.459 0.995 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000330697025 489134469 /nfs/dbraw/zinc/13/44/69/489134469.db2.gz CTPLUENQRNCVSL-UHFFFAOYSA-N 0 3 350.423 0.726 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283238169 489231788 /nfs/dbraw/zinc/23/17/88/489231788.db2.gz PHALNBOBQKKBRQ-AWEZNQCLSA-N 0 3 359.404 0.041 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283238173 489232232 /nfs/dbraw/zinc/23/22/32/489232232.db2.gz PHALNBOBQKKBRQ-CQSZACIVSA-N 0 3 359.404 0.041 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000563551475 491254656 /nfs/dbraw/zinc/25/46/56/491254656.db2.gz ZMSSTQHRBHVJCI-KGLIPLIRSA-N 0 3 373.413 0.579 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362934590 489405739 /nfs/dbraw/zinc/40/57/39/489405739.db2.gz ZPBYEPSLLTVDIX-KGLIPLIRSA-N 0 3 362.386 0.821 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362934592 489406422 /nfs/dbraw/zinc/40/64/22/489406422.db2.gz ZPBYEPSLLTVDIX-ZIAGYGMSSA-N 0 3 362.386 0.821 20 5 FCBDHN C[C@@H]1CCN[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000423080543 489492211 /nfs/dbraw/zinc/49/22/11/489492211.db2.gz BRTOHAAYQLSMKW-RISCZKNCSA-N 0 3 370.431 0.377 20 5 FCBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCNCC1 ZINC000415312105 489514991 /nfs/dbraw/zinc/51/49/91/489514991.db2.gz BRPTYTQEZGOYPY-UHFFFAOYSA-N 0 3 358.301 0.957 20 5 FCBDHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000371845111 489517631 /nfs/dbraw/zinc/51/76/31/489517631.db2.gz AFYKZJVKSFSHIT-UKRRQHHQSA-N 0 3 361.358 0.953 20 5 FCBDHN CNc1nc(C(=O)NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455973085 489603505 /nfs/dbraw/zinc/60/35/05/489603505.db2.gz PEWFYMRIQFESRC-LBPRGKRZSA-N 0 3 351.407 0.854 20 5 FCBDHN CC1CCN(C[C@@H](O)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000427387035 489605290 /nfs/dbraw/zinc/60/52/90/489605290.db2.gz NBSIELZHMGGCSP-AWEZNQCLSA-N 0 3 372.447 0.747 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457125504 489637542 /nfs/dbraw/zinc/63/75/42/489637542.db2.gz QHVZPTRPBUTFAI-OAHLLOKOSA-N 0 3 360.418 0.028 20 5 FCBDHN COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819530 489665631 /nfs/dbraw/zinc/66/56/31/489665631.db2.gz QBRXAKCYQQOIIK-AEFFLSMTSA-N 0 3 374.397 0.969 20 5 FCBDHN COC(=O)[C@]1(c2ccccc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819532 489665659 /nfs/dbraw/zinc/66/56/59/489665659.db2.gz QBRXAKCYQQOIIK-FUHWJXTLSA-N 0 3 374.397 0.969 20 5 FCBDHN CN(C)CCOCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000458696643 489695946 /nfs/dbraw/zinc/69/59/46/489695946.db2.gz PNUGJWRIFUFDLM-UHFFFAOYSA-N 0 3 366.422 0.400 20 5 FCBDHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489919612 489735802 /nfs/dbraw/zinc/73/58/02/489735802.db2.gz AMQNEFVUJZNUNT-ZDUSSCGKSA-N 0 3 356.404 0.165 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000474988377 489798887 /nfs/dbraw/zinc/79/88/87/489798887.db2.gz SUWHABVOGBDPTE-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000418955443 489803732 /nfs/dbraw/zinc/80/37/32/489803732.db2.gz YDUODUBHNIZJNS-CYBMUJFWSA-N 0 3 350.375 0.559 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000376898349 489814190 /nfs/dbraw/zinc/81/41/90/489814190.db2.gz VYGKFRYVTBQEQF-QWRGUYRKSA-N 0 3 356.404 0.517 20 5 FCBDHN CC(C)[C@@H](C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000433155638 489868555 /nfs/dbraw/zinc/86/85/55/489868555.db2.gz YQFZGYKVPRBALS-LLVKDONJSA-N 0 3 358.420 0.220 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433197214 489872613 /nfs/dbraw/zinc/87/26/13/489872613.db2.gz QLUNYFFLOGYRSO-LBPRGKRZSA-N 0 3 351.359 0.905 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F ZINC000564078577 491287224 /nfs/dbraw/zinc/28/72/24/491287224.db2.gz TVLKNUXPUVCSTE-QWRGUYRKSA-N 0 3 365.312 0.295 20 5 FCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434710569 489950563 /nfs/dbraw/zinc/95/05/63/489950563.db2.gz YHLDUKQEIIOTQR-NWDGAFQWSA-N 0 3 370.431 0.472 20 5 FCBDHN C[C@H]1NCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000434710568 489950743 /nfs/dbraw/zinc/95/07/43/489950743.db2.gz YHLDUKQEIIOTQR-NEPJUHHUSA-N 0 3 370.431 0.472 20 5 FCBDHN CC1(C)CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000477351815 489959850 /nfs/dbraw/zinc/95/98/50/489959850.db2.gz PUTYWGGIKRCMBF-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000420443053 489977541 /nfs/dbraw/zinc/97/75/41/489977541.db2.gz AAEMAYPICKYIDJ-NXEZZACHSA-N 0 3 357.388 0.772 20 5 FCBDHN COC(=O)C[C@@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000464601341 490061753 /nfs/dbraw/zinc/06/17/53/490061753.db2.gz YUIWOYQBXKJYDC-LRDDRELGSA-N 0 3 354.359 0.646 20 5 FCBDHN C[C@@H]1CCN(C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498722352 490331815 /nfs/dbraw/zinc/33/18/15/490331815.db2.gz ODNUZLXQYYGNEO-CYBMUJFWSA-N 0 3 363.418 0.947 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000522289307 490366531 /nfs/dbraw/zinc/36/65/31/490366531.db2.gz KKMBHKWLRIOVOV-UHFFFAOYSA-N 0 3 369.422 0.832 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449655739 490417827 /nfs/dbraw/zinc/41/78/27/490417827.db2.gz HSADIRMIHIYYTH-JOYOIKCWSA-N 0 3 356.329 0.827 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535004407 490435356 /nfs/dbraw/zinc/43/53/56/490435356.db2.gz GKDHMZNQGNOVHA-OAHLLOKOSA-N 0 3 360.418 0.028 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000411354334 490437261 /nfs/dbraw/zinc/43/72/61/490437261.db2.gz YCRUHIAFPAQOHA-INIZCTEOSA-N 0 3 352.391 0.579 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000449956646 490437666 /nfs/dbraw/zinc/43/76/66/490437666.db2.gz AQLGZKMQKIKNBP-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN CCN1CCN(CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548414413 490481601 /nfs/dbraw/zinc/48/16/01/490481601.db2.gz RTIASLUQZCSEPD-UHFFFAOYSA-N 0 3 350.423 0.720 20 5 FCBDHN CC[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422981711 490510529 /nfs/dbraw/zinc/51/05/29/490510529.db2.gz PAQDXXUYVKPKCO-STQMWFEESA-N 0 3 356.448 0.993 20 5 FCBDHN COc1cc(C(=O)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000525523603 490610778 /nfs/dbraw/zinc/61/07/78/490610778.db2.gz LEUFPBYUFRFUGP-UHFFFAOYSA-N 0 3 366.418 0.979 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000526087790 490674368 /nfs/dbraw/zinc/67/43/68/490674368.db2.gz OZLHUJDBVKONBZ-NSHDSACASA-N 0 3 350.375 1.000 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@](C)(O)CN(C)C ZINC000502894313 490728179 /nfs/dbraw/zinc/72/81/79/490728179.db2.gz UWLBUGIMASNOHJ-ABAIWWIYSA-N 0 3 356.427 0.256 20 5 FCBDHN CN1CCN(CCC(C)(C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000514896794 490796391 /nfs/dbraw/zinc/79/63/91/490796391.db2.gz ITMRKRKVMXWUKK-UHFFFAOYSA-N 0 3 350.423 0.917 20 5 FCBDHN CS[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000540296948 490814400 /nfs/dbraw/zinc/81/44/00/490814400.db2.gz IGWWLDORHPAXFQ-RYUDHWBXSA-N 0 3 360.461 0.724 20 5 FCBDHN CN1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000516175305 490854684 /nfs/dbraw/zinc/85/46/84/490854684.db2.gz KEKZQRMAMZSRHE-LBPRGKRZSA-N 0 3 355.416 0.827 20 5 FCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000557258117 491362849 /nfs/dbraw/zinc/36/28/49/491362849.db2.gz DBHLJQFDOHMICD-OCCSQVGLSA-N 0 3 363.418 0.182 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000516784643 490878193 /nfs/dbraw/zinc/87/81/93/490878193.db2.gz ULKBDHJQPICWIO-KRWDZBQOSA-N 0 3 363.370 0.553 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516878288 490882749 /nfs/dbraw/zinc/88/27/49/490882749.db2.gz FREKDUZYLDTIPE-KGLIPLIRSA-N 0 3 361.402 0.476 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240012 491363876 /nfs/dbraw/zinc/36/38/76/491363876.db2.gz PRYLJDDYUKIZNL-NXEZZACHSA-N 0 3 374.806 0.181 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240247 491364016 /nfs/dbraw/zinc/36/40/16/491364016.db2.gz UAAQARURAJBTMG-MWLCHTKSSA-N 0 3 372.303 0.998 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265160 491364006 /nfs/dbraw/zinc/36/40/06/491364006.db2.gz NYYTYQWAVBKQRN-GWCFXTLKSA-N 0 3 350.375 0.440 20 5 FCBDHN NC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000544454530 490969101 /nfs/dbraw/zinc/96/91/01/490969101.db2.gz GTMJVRUWAFKSND-CYBMUJFWSA-N 0 3 350.375 0.794 20 5 FCBDHN COc1ccc(NC(=O)CCN2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000519680726 490983671 /nfs/dbraw/zinc/98/36/71/490983671.db2.gz VDZXYKGQCGJBNT-IAQYHMDHSA-N 0 3 353.375 0.607 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000569502287 491165194 /nfs/dbraw/zinc/16/51/94/491165194.db2.gz KVJYLVPOQGIRPZ-ZDUSSCGKSA-N 0 3 352.347 0.351 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2N2CCOCC2)c1 ZINC000565769891 491398417 /nfs/dbraw/zinc/39/84/17/491398417.db2.gz WWEPBXJAQJCPNG-INIZCTEOSA-N 0 3 361.402 0.779 20 5 FCBDHN N[C@H]1C[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCN2C1=O ZINC000573387049 491430537 /nfs/dbraw/zinc/43/05/37/491430537.db2.gz YTMBGVLWHOZCCF-STQMWFEESA-N 0 3 358.358 0.389 20 5 FCBDHN COc1cc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000566490925 491447603 /nfs/dbraw/zinc/44/76/03/491447603.db2.gz LVTDDXXMIHSVEB-NEPJUHHUSA-N 0 3 350.375 0.356 20 5 FCBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000566495669 491449023 /nfs/dbraw/zinc/44/90/23/491449023.db2.gz IAQPCGBSGYKFQF-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000573696523 491449153 /nfs/dbraw/zinc/44/91/53/491449153.db2.gz LOPDNOZHOMGURW-OCCSQVGLSA-N 0 3 362.434 0.670 20 5 FCBDHN C[C@H]1COCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640857 491488774 /nfs/dbraw/zinc/48/87/74/491488774.db2.gz SSQYJUMVKYCPPN-BBRMVZONSA-N 0 3 353.423 0.337 20 5 FCBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@]1(O)CN2CCC1CC2 ZINC000574337268 491489959 /nfs/dbraw/zinc/48/99/59/491489959.db2.gz DSNORITUFKYKBS-MRXNPFEDSA-N 0 3 355.341 0.988 20 5 FCBDHN CCN(C)C[C@@H](O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC000567520707 491511851 /nfs/dbraw/zinc/51/18/51/491511851.db2.gz BJUMBJNAIOJGBU-GFCCVEGCSA-N 0 3 372.385 0.803 20 5 FCBDHN COc1ccc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000567662259 491521326 /nfs/dbraw/zinc/52/13/26/491521326.db2.gz XKQJRFUMQQOCGY-UONOGXRCSA-N 0 3 359.386 0.833 20 5 FCBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000567680805 491522915 /nfs/dbraw/zinc/52/29/15/491522915.db2.gz FUISSRYKURTDLC-CYBMUJFWSA-N 0 3 361.358 0.144 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000567707589 491524375 /nfs/dbraw/zinc/52/43/75/491524375.db2.gz YXDHQESMJYKFRC-NWDGAFQWSA-N 0 3 367.328 0.005 20 5 FCBDHN C[C@@H](NC1CC1)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000567749165 491526952 /nfs/dbraw/zinc/52/69/52/491526952.db2.gz XSQWHPPWQZEDEH-SNVBAGLBSA-N 0 3 370.431 0.667 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568416072 491576267 /nfs/dbraw/zinc/57/62/67/491576267.db2.gz MGUYFLJILLCXTO-WCQYABFASA-N 0 3 350.400 0.457 20 5 FCBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)NCCN(C)C ZINC000568859984 491614797 /nfs/dbraw/zinc/61/47/97/491614797.db2.gz IPOZCXZYEJRLEX-LLVKDONJSA-N 0 3 359.386 0.939 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000569011123 491627135 /nfs/dbraw/zinc/62/71/35/491627135.db2.gz XXEOAAPWOSPOKY-AAEUAGOBSA-N 0 3 370.431 0.935 20 5 FCBDHN CN(C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000579052300 491690063 /nfs/dbraw/zinc/69/00/63/491690063.db2.gz DIHGJCXQMAXBGD-CYBMUJFWSA-N 0 3 368.459 0.869 20 5 FCBDHN C[C@@H](CN1CCN(C)CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579943144 491710548 /nfs/dbraw/zinc/71/05/48/491710548.db2.gz CZJGBNYJSBEQST-AWEZNQCLSA-N 0 3 370.475 0.594 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590372175 491774410 /nfs/dbraw/zinc/77/44/10/491774410.db2.gz XATNCHPUMNFBES-ZDUSSCGKSA-N 0 3 359.386 0.967 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)CN2CCCCC2)c1 ZINC000582122334 491798867 /nfs/dbraw/zinc/79/88/67/491798867.db2.gz KGMOSJQGMRBSRT-HOCLYGCPSA-N 0 3 353.419 0.771 20 5 FCBDHN C[S@](=O)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767537 491823487 /nfs/dbraw/zinc/82/34/87/491823487.db2.gz PWGAWVYPOVWNLG-MYYSRTQBSA-N 0 3 352.416 0.821 20 5 FCBDHN COc1c(F)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000582849430 491829548 /nfs/dbraw/zinc/82/95/48/491829548.db2.gz VBBZKORNAJDCQQ-VIFPVBQESA-N 0 3 362.383 0.006 20 5 FCBDHN C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1N(C)C ZINC000583010416 491835769 /nfs/dbraw/zinc/83/57/69/491835769.db2.gz IZRVUOSVKUJCTQ-BLLLJJGKSA-N 0 3 360.414 0.888 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594877555 491870314 /nfs/dbraw/zinc/87/03/14/491870314.db2.gz VOIKQYPTLBDMFY-LSDHHAIUSA-N 0 3 361.402 0.557 20 5 FCBDHN C[C@@H](Cn1cncn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595017451 491878454 /nfs/dbraw/zinc/87/84/54/491878454.db2.gz VIWALQWWLJHQCS-NSHDSACASA-N 0 3 354.392 0.143 20 5 FCBDHN NS(=O)(=O)c1cc(NCCCN2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000596086618 491975077 /nfs/dbraw/zinc/97/50/77/491975077.db2.gz UQBIOFZWWRMENX-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596211976 491979604 /nfs/dbraw/zinc/97/96/04/491979604.db2.gz ZVCZQUKYANSMTO-UHFFFAOYSA-N 0 3 351.407 0.756 20 5 FCBDHN O=C1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CN1CCN1CCOCC1 ZINC000602594262 491993573 /nfs/dbraw/zinc/99/35/73/491993573.db2.gz PXAJESSFZKWMRI-INIZCTEOSA-N 0 3 362.430 0.660 20 5 FCBDHN CCN(CC)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603940089 492048033 /nfs/dbraw/zinc/04/80/33/492048033.db2.gz VQVSAIDGGWYVIR-UHFFFAOYSA-N 0 3 372.447 0.868 20 5 FCBDHN CN1CCN(CC2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000597695145 492060250 /nfs/dbraw/zinc/06/02/50/492060250.db2.gz QUYXLDBWHNJFCI-UHFFFAOYSA-N 0 3 350.394 0.982 20 5 FCBDHN [NH3+]CC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000599102121 492135746 /nfs/dbraw/zinc/13/57/46/492135746.db2.gz FUJRYMZOOZIYJU-UHFFFAOYSA-N 0 3 373.387 0.152 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599874693 492213089 /nfs/dbraw/zinc/21/30/89/492213089.db2.gz UTMXKXJVIZXTDH-UHFFFAOYSA-N 0 3 374.357 0.028 20 5 FCBDHN COc1cc(OCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938391 492219176 /nfs/dbraw/zinc/21/91/76/492219176.db2.gz OHAUWXXSWNGZRX-STQMWFEESA-N 0 3 365.386 0.650 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CNc3ccnn3C2)cc1 ZINC000619265839 492256977 /nfs/dbraw/zinc/25/69/77/492256977.db2.gz XESXKXGGZWLDFP-LBPRGKRZSA-N 0 3 365.415 0.897 20 5 FCBDHN NS(=O)(=O)c1c(NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611165802 492280011 /nfs/dbraw/zinc/28/00/11/492280011.db2.gz QRTZDVBLPLSJDG-GFCCVEGCSA-N 0 3 370.431 0.907 20 5 FCBDHN COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000443314433 536874195 /nfs/dbraw/zinc/87/41/95/536874195.db2.gz LENRVSYGWRQTPR-UHFFFAOYSA-N 0 3 373.431 0.586 20 5 FCBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592195427 546945479 /nfs/dbraw/zinc/94/54/79/546945479.db2.gz KEWYHUIXXAUBBA-RISCZKNCSA-N 0 3 351.359 0.779 20 5 FCBDHN CN(C1CNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592389403 546949393 /nfs/dbraw/zinc/94/93/93/546949393.db2.gz YDNIFPYRIMGSIG-UHFFFAOYSA-N 0 3 350.194 0.950 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592491458 546951604 /nfs/dbraw/zinc/95/16/04/546951604.db2.gz KHJQDGDJRHVMBV-AWEZNQCLSA-N 0 3 350.375 0.679 20 5 FCBDHN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000594359993 546997446 /nfs/dbraw/zinc/99/74/46/546997446.db2.gz YIJVYVRNIPMHNG-LLVKDONJSA-N 0 3 354.432 0.869 20 5 FCBDHN C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419497 599303330 /nfs/dbraw/zinc/30/33/30/599303330.db2.gz HCZKSAATFCGPIM-YGRLFVJLSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419497 599303334 /nfs/dbraw/zinc/30/33/34/599303334.db2.gz HCZKSAATFCGPIM-YGRLFVJLSA-N 0 3 358.362 0.683 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973254011 664084243 /nfs/dbraw/zinc/08/42/43/664084243.db2.gz GFFXMFQDFBBMFA-FDYHWXHSSA-N 0 3 350.375 0.383 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294107 666300794 /nfs/dbraw/zinc/30/07/94/666300794.db2.gz RPACBLZKHXHMJA-VXGBXAGGSA-N 0 3 352.416 0.416 20 5 FCBDHN COCc1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643201 667762064 /nfs/dbraw/zinc/76/20/64/667762064.db2.gz KDTVKVFJILRVDN-DDHJBXDOSA-N 0 3 353.379 0.398 20 5 FCBDHN NC(=O)NC(=O)OCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769660456 668147400 /nfs/dbraw/zinc/14/74/00/668147400.db2.gz PGMAFIXYSQGABC-SNVBAGLBSA-N 0 3 352.351 0.671 20 5 FCBDHN CO[C@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826985453 669530777 /nfs/dbraw/zinc/53/07/77/669530777.db2.gz HBFRQLOSCGXVLR-CVEARBPZSA-N 0 3 369.443 0.965 20 5 FCBDHN CC(COC(=O)c1sccc1S(=O)(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813102091 669827170 /nfs/dbraw/zinc/82/71/70/669827170.db2.gz AYGNJYGKILYJIY-VIFPVBQESA-N 0 3 364.401 0.591 20 5 FCBDHN CC(COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813109450 669827824 /nfs/dbraw/zinc/82/78/24/669827824.db2.gz SXIKESMQXLLYPQ-SECBINFHSA-N 0 3 361.332 0.424 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[N+](=O)[O-] ZINC000813114205 669828180 /nfs/dbraw/zinc/82/81/80/669828180.db2.gz NMGXVKHGKRLFKV-LLVKDONJSA-N 0 3 358.372 0.530 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813113979 669828473 /nfs/dbraw/zinc/82/84/73/669828473.db2.gz KOPMPIGTGODQEQ-AAEUAGOBSA-N 0 3 372.399 0.966 20 5 FCBDHN CC([C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876069 671045335 /nfs/dbraw/zinc/04/53/35/671045335.db2.gz NBNJQTAQEMRBKK-ISVAXAHUSA-N 0 3 351.294 0.466 20 5 FCBDHN Cc1nn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)n1C ZINC000847737307 671221126 /nfs/dbraw/zinc/22/11/26/671221126.db2.gz NELFEVLTLFLWAH-XPTSAGLGSA-N 0 3 352.322 0.979 20 5 FCBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H](CO)CN(C)C ZINC000854467313 671580041 /nfs/dbraw/zinc/58/00/41/671580041.db2.gz DRUXKXYQMGOOHV-VIFPVBQESA-N 0 3 358.782 0.859 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccsn1 ZINC001055575338 676025129 /nfs/dbraw/zinc/02/51/29/676025129.db2.gz SJSFSJCMJGOKOV-DGCLKSJQSA-N 0 3 367.431 0.119 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)C2(CF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055641493 676028829 /nfs/dbraw/zinc/02/88/29/676028829.db2.gz YJUJEGKBSKBZDH-CHWSQXEVSA-N 0 3 356.398 0.098 20 5 FCBDHN O=C(NCC1=CCN(CC2CCS(=O)(=O)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673568 676058722 /nfs/dbraw/zinc/05/87/22/676058722.db2.gz GNLVGCDULCMTIY-HUUCEWRRSA-N 0 3 371.459 0.225 20 5 FCBDHN Cn1ccnc1[C@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000136224034 1182864373 /nfs/dbraw/zinc/86/43/73/1182864373.db2.gz FXBNOSDBTYUITQ-LSDHHAIUSA-N 0 3 364.406 0.331 20 5 FCBDHN CN(C)c1ccncc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980062496 1186171627 /nfs/dbraw/zinc/17/16/27/1186171627.db2.gz MSQAEBHRSRQRSL-RTWAVKEYSA-N 0 3 361.402 0.437 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980333943 1186209490 /nfs/dbraw/zinc/20/94/90/1186209490.db2.gz XKRAONISMIKTAD-FMKGYKFTSA-N 0 3 364.402 0.631 20 5 FCBDHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878165 1196525801 /nfs/dbraw/zinc/52/58/01/1196525801.db2.gz BFCJUTCIMPKRMD-HIFRSBDPSA-N 0 3 361.358 0.953 20 5 FCBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCN(C2CCOCC2)CC1 ZINC000747471438 1202877600 /nfs/dbraw/zinc/87/76/00/1202877600.db2.gz LNPYWHOUIPGUKT-UHFFFAOYSA-N 0 3 374.397 0.945 20 5 FCBDHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813102532 1202990728 /nfs/dbraw/zinc/99/07/28/1202990728.db2.gz RLKZVCKTDKWBMB-MGPLVRAMSA-N 0 3 365.342 0.671 20 5 FCBDHN CC([C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845873464 1204561435 /nfs/dbraw/zinc/56/14/35/1204561435.db2.gz DLXNBMJAAXEEQP-ZUZCIYMTSA-N 0 3 365.317 0.636 20 5 FCBDHN CC([C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875397 1204561828 /nfs/dbraw/zinc/56/18/28/1204561828.db2.gz KMZJTXOJRWTHQR-ZANVPECISA-N 0 3 365.317 0.786 20 5 FCBDHN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177286 1206266109 /nfs/dbraw/zinc/26/61/09/1206266109.db2.gz AMBKCEYYUGIYFX-UWVGGRQHSA-N 0 3 371.365 0.941 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585938 1209542231 /nfs/dbraw/zinc/54/22/31/1209542231.db2.gz DVJOZEUIJVJROS-SJORKVTESA-N 0 3 362.430 0.867 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000571111791 1211922764 /nfs/dbraw/zinc/92/27/64/1211922764.db2.gz RYPAIYWXKLAYLB-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN O=C(NCC1=CCN(C(=O)c2cncc3nc[nH]c32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017443877 1214097338 /nfs/dbraw/zinc/09/73/38/1214097338.db2.gz OYRBGHSJXYDYNP-BXUZGUMPSA-N 0 3 370.369 0.512 20 5 FCBDHN Cn1nnnc1CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001039486040 1214379095 /nfs/dbraw/zinc/37/90/95/1214379095.db2.gz YVUJLCLDDNQYLF-ZIAGYGMSSA-N 0 3 363.422 0.078 20 5 FCBDHN O=C(NCCN(Cc1ccccc1)C(=O)c1ccn[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001055050816 1218982445 /nfs/dbraw/zinc/98/24/45/1218982445.db2.gz LTAMGXSEESNOSN-UKRRQHHQSA-N 0 3 357.370 0.834 20 5 FCBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CCCCC1 ZINC001072726838 1219621021 /nfs/dbraw/zinc/62/10/21/1219621021.db2.gz UCLKWQSGMSTIDY-HUUCEWRRSA-N 0 3 364.446 0.635 20 5 FCBDHN CCCN1CCn2c(nnc2C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001074109716 1219683717 /nfs/dbraw/zinc/68/37/17/1219683717.db2.gz ILTHYQFXNBQQOQ-ZIAGYGMSSA-N 0 3 362.434 0.875 20 5 FCBDHN CCn1ccc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001098365967 1219767161 /nfs/dbraw/zinc/76/71/61/1219767161.db2.gz SCSPROLECXSPGA-HZPDHXFCSA-N 0 3 365.434 0.354 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483842 1222741018 /nfs/dbraw/zinc/74/10/18/1222741018.db2.gz GOZDHXOJGFXWDL-KGLIPLIRSA-N 0 3 362.386 0.821 20 5 FCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001151103967 1222916656 /nfs/dbraw/zinc/91/66/56/1222916656.db2.gz QCBGAFPSBCCUFN-NSHDSACASA-N 0 3 365.386 0.941 20 5 FCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@H](CN3CCCC3)C2)n1 ZINC001158315071 1223094428 /nfs/dbraw/zinc/09/44/28/1223094428.db2.gz OGRQHWROIIGLBT-ZDUSSCGKSA-N 0 3 364.406 0.953 20 5 FCBDHN CCc1noc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589255 1247906438 /nfs/dbraw/zinc/90/64/38/1247906438.db2.gz ONHJDWOTSTXNBQ-XJFOESAGSA-N 0 3 363.418 0.968 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596772 1259890652 /nfs/dbraw/zinc/89/06/52/1259890652.db2.gz RFNZRAXDQFAOQO-FUHWJXTLSA-N 0 3 358.398 0.485 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001323373781 1264413445 /nfs/dbraw/zinc/41/34/45/1264413445.db2.gz OEPWTMQWTNNOKG-AWEZNQCLSA-N 0 3 364.402 0.690 20 5 FCBDHN C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001324661058 1264686329 /nfs/dbraw/zinc/68/63/29/1264686329.db2.gz HATYJNFBPVULSS-GXTWGEPZSA-N 0 3 362.434 0.551 20 5 FCBDHN O=[N+]([O-])Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1CC1 ZINC001527128811 1266869028 /nfs/dbraw/zinc/86/90/28/1266869028.db2.gz CYOWRVQBLFUONY-CQSZACIVSA-N 0 3 350.423 0.623 20 5 FCBDHN CC(C)OCCN1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001340914947 1268707357 /nfs/dbraw/zinc/70/73/57/1268707357.db2.gz HFJRWGHVYFVNOY-UHFFFAOYSA-N 0 3 366.418 0.762 20 5 FCBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001342139347 1269367765 /nfs/dbraw/zinc/36/77/65/1269367765.db2.gz OJRGJTIZMCRIJD-ZDUSSCGKSA-N 0 3 366.422 0.288 20 5 FCBDHN C[NH+](C)CC1(C(=O)NCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591013018 1284073831 /nfs/dbraw/zinc/07/38/31/1284073831.db2.gz VSFHRGFUHDBYSY-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN C[NH+](C)CC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591013018 1284073840 /nfs/dbraw/zinc/07/38/40/1284073840.db2.gz VSFHRGFUHDBYSY-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593470444 1286173025 /nfs/dbraw/zinc/17/30/25/1286173025.db2.gz NHXXITBCWBOVDR-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593470444 1286173031 /nfs/dbraw/zinc/17/30/31/1286173031.db2.gz NHXXITBCWBOVDR-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593470444 1286173035 /nfs/dbraw/zinc/17/30/35/1286173035.db2.gz NHXXITBCWBOVDR-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593470444 1286173040 /nfs/dbraw/zinc/17/30/40/1286173040.db2.gz NHXXITBCWBOVDR-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593481237 1286173837 /nfs/dbraw/zinc/17/38/37/1286173837.db2.gz PPDJVSZPLSKTCM-OLZOCXBDSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481237 1286173842 /nfs/dbraw/zinc/17/38/42/1286173842.db2.gz PPDJVSZPLSKTCM-OLZOCXBDSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593481237 1286173848 /nfs/dbraw/zinc/17/38/48/1286173848.db2.gz PPDJVSZPLSKTCM-OLZOCXBDSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481237 1286173852 /nfs/dbraw/zinc/17/38/52/1286173852.db2.gz PPDJVSZPLSKTCM-OLZOCXBDSA-N 0 3 359.390 0.810 20 5 FCBDHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)[N@H+]1CCO ZINC001609376423 1289128800 /nfs/dbraw/zinc/12/88/00/1289128800.db2.gz ULEKTNQORGAZPR-AOOOYVTPSA-N 0 3 362.394 0.248 20 5 FCBDHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)[N@@H+]1CCO ZINC001609376423 1289128804 /nfs/dbraw/zinc/12/88/04/1289128804.db2.gz ULEKTNQORGAZPR-AOOOYVTPSA-N 0 3 362.394 0.248 20 5 FCBDHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccc(F)cc1F ZINC001699651244 1289559378 /nfs/dbraw/zinc/55/93/78/1289559378.db2.gz NOCCAQSKIGYWIV-ZWNOBZJWSA-N 0 3 368.340 0.807 20 5 FCBDHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cc(F)ccc1F ZINC001699651260 1289560113 /nfs/dbraw/zinc/56/01/13/1289560113.db2.gz NZGCFALPQAJCOQ-ZWNOBZJWSA-N 0 3 368.340 0.807 20 5 FCBDHN CCCn1ncnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001699883769 1289571313 /nfs/dbraw/zinc/57/13/13/1289571313.db2.gz YPCSSAKXABHFGQ-CHWSQXEVSA-N 0 3 366.422 0.108 20 5 FCBDHN CN(CCc1ccccc1)CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688643568 1294516902 /nfs/dbraw/zinc/51/69/02/1294516902.db2.gz DBCYWZPFMDZPBH-HZPDHXFCSA-N 0 3 360.414 0.153 20 5 FCBDHN Cc1cnc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001098365817 843910871 /nfs/dbraw/zinc/91/08/71/843910871.db2.gz QUUNITCZOALUJU-ZIAGYGMSSA-N 0 3 368.459 0.902 20 5 FCBDHN COCCCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105707277 845018257 /nfs/dbraw/zinc/01/82/57/845018257.db2.gz UERRBMNHXBFSOS-HZPDHXFCSA-N 0 3 355.435 0.770 20 5 FCBDHN COc1nc(-n2cc(Br)ccc2=NCCN)ncc1[N+](=O)[O-] ZINC001160968980 850216285 /nfs/dbraw/zinc/21/62/85/850216285.db2.gz RBVVXCOTTQXYCH-UHFFFAOYSA-N 0 3 369.179 0.806 20 5 FCBDHN COc1ccc(C[C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170327420 850650894 /nfs/dbraw/zinc/65/08/94/850650894.db2.gz QUDBVRGJZHNTHE-VWYCJHECSA-N 0 3 352.391 0.503 20 5 FCBDHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001218328030 855415391 /nfs/dbraw/zinc/41/53/91/855415391.db2.gz HPUTWOGAKYCSLZ-VIFPVBQESA-N 0 3 354.363 0.195 20 5 FCBDHN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[C@@H]1N1CCN(C)CC1 ZINC001253921992 857928493 /nfs/dbraw/zinc/92/84/93/857928493.db2.gz BOAMMMHHPCPKRM-STQMWFEESA-N 0 3 350.423 0.426 20 5 FCBDHN CCN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001318768482 867746327 /nfs/dbraw/zinc/74/63/27/867746327.db2.gz VGCDGXWDTBBISQ-UHFFFAOYSA-N 0 3 354.382 0.866 20 5 FCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937965 210253879 /nfs/dbraw/zinc/25/38/79/210253879.db2.gz GNMNBGZCEJPSLH-AAEUAGOBSA-N 0 3 374.397 0.989 20 5 FCBDHN CCN(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265688562 210198302 /nfs/dbraw/zinc/19/83/02/210198302.db2.gz MJNSWPOABYKLHK-UHFFFAOYSA-N 0 3 358.420 0.283 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265585606 210172411 /nfs/dbraw/zinc/17/24/11/210172411.db2.gz JRFFKPARTWDGPB-UHFFFAOYSA-N 0 3 365.386 0.943 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N(C)C ZINC000265552960 210165402 /nfs/dbraw/zinc/16/54/02/210165402.db2.gz RDDSNRRUDYJHAL-JTQLQIEISA-N 0 3 366.374 0.761 20 5 FCBDHN CC(C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000264919237 210015495 /nfs/dbraw/zinc/01/54/95/210015495.db2.gz PIPUJSFAWZFLJQ-OAHLLOKOSA-N 0 3 352.439 0.570 20 5 FCBDHN CN1CCN(CC2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000332273894 215120573 /nfs/dbraw/zinc/12/05/73/215120573.db2.gz JGTMCXKLFJTCHA-UHFFFAOYSA-N 0 3 350.423 0.277 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285707932 213381227 /nfs/dbraw/zinc/38/12/27/213381227.db2.gz IFSWLDOVKRLVEB-ZIAGYGMSSA-N 0 3 359.386 0.931 20 5 FCBDHN Cc1nn(C)c(NCC2(N3CCOCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000413479830 237341778 /nfs/dbraw/zinc/34/17/78/237341778.db2.gz KREIEFVGYLBVRY-UHFFFAOYSA-N 0 3 352.439 0.845 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000367205247 216090880 /nfs/dbraw/zinc/09/08/80/216090880.db2.gz HPVNXKPIRHVTAO-VXGBXAGGSA-N 0 3 352.313 0.932 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000193205947 209310488 /nfs/dbraw/zinc/31/04/88/209310488.db2.gz WHHHDFGXRGBGBW-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000189123070 209246482 /nfs/dbraw/zinc/24/64/82/209246482.db2.gz IBQKJGZBELGMCM-UHFFFAOYSA-N 0 3 370.475 0.694 20 5 FCBDHN CN(CCCN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183906524 209153891 /nfs/dbraw/zinc/15/38/91/209153891.db2.gz HWQVLHXYQLRZSH-UHFFFAOYSA-N 0 3 371.463 0.316 20 5 FCBDHN CCN(CCO)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000183923435 209154030 /nfs/dbraw/zinc/15/40/30/209154030.db2.gz YGPRMIAQIOGWHA-UHFFFAOYSA-N 0 3 362.390 0.528 20 5 FCBDHN CN1CCN(CC2(C)CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000375236371 217238283 /nfs/dbraw/zinc/23/82/83/217238283.db2.gz FXPILJATVDISPA-UHFFFAOYSA-N 0 3 364.450 0.667 20 5 FCBDHN O=C1Nc2ccccc2[C@@]12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000375319646 217249403 /nfs/dbraw/zinc/24/94/03/217249403.db2.gz NDOWWSVJENHYJA-GUYCJALGSA-N 0 3 357.370 0.748 20 5 FCBDHN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000181911029 209124878 /nfs/dbraw/zinc/12/48/78/209124878.db2.gz AYUWTIIZOMWUCU-ZIAGYGMSSA-N 0 3 359.386 0.931 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000375884563 217330917 /nfs/dbraw/zinc/33/09/17/217330917.db2.gz VJVYNXASSMFUJY-AWEZNQCLSA-N 0 3 350.423 0.418 20 5 FCBDHN C[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CN ZINC000419346886 246108704 /nfs/dbraw/zinc/10/87/04/246108704.db2.gz JDAIGZQMAHYOQJ-HZMBPMFUSA-N 0 3 374.401 0.673 20 5 FCBDHN C[C@H]1CCN[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000423080542 246960908 /nfs/dbraw/zinc/96/09/08/246960908.db2.gz BRTOHAAYQLSMKW-FZMZJTMJSA-N 0 3 370.431 0.377 20 5 FCBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000423691992 247112037 /nfs/dbraw/zinc/11/20/37/247112037.db2.gz BOOXJWDAUQOJAC-UHFFFAOYSA-N 0 3 356.404 0.213 20 5 FCBDHN CC(C)(C)[C@@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423946933 247154873 /nfs/dbraw/zinc/15/48/73/247154873.db2.gz CROCJRDFPBBHBV-GFCCVEGCSA-N 0 3 358.420 0.363 20 5 FCBDHN CN(CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccccc1[N+](=O)[O-] ZINC000424007144 247159820 /nfs/dbraw/zinc/15/98/20/247159820.db2.gz VAJKQHHTYPRSTR-AWEZNQCLSA-N 0 3 373.417 0.945 20 5 FCBDHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424383664 247203017 /nfs/dbraw/zinc/20/30/17/247203017.db2.gz AWRXYTBYKIJVFV-UONOGXRCSA-N 0 3 351.388 0.444 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000453804473 249369765 /nfs/dbraw/zinc/36/97/65/249369765.db2.gz HQNZMMMNUAZODF-CYBMUJFWSA-N 0 3 364.402 0.805 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270573092 211225655 /nfs/dbraw/zinc/22/56/55/211225655.db2.gz BVUVNACVQNTTPT-HZPDHXFCSA-N 0 3 373.413 0.791 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000473267242 250212654 /nfs/dbraw/zinc/21/26/54/250212654.db2.gz ADLDJSVWIWHVLP-HNNXBMFYSA-N 0 3 373.431 0.431 20 5 FCBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000474159712 250272915 /nfs/dbraw/zinc/27/29/15/250272915.db2.gz QZQLFMYBJXSFPT-LLVKDONJSA-N 0 3 352.391 0.884 20 5 FCBDHN O=C1CCCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000120299813 208379191 /nfs/dbraw/zinc/37/91/91/208379191.db2.gz ZUYVFXXRGQEHSU-OAHLLOKOSA-N 0 3 351.407 0.629 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000266756554 210395609 /nfs/dbraw/zinc/39/56/09/210395609.db2.gz YSFATDKUTZXBKX-UHFFFAOYSA-N 0 3 368.390 0.626 20 5 FCBDHN NC(=O)c1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000266509646 210346795 /nfs/dbraw/zinc/34/67/95/210346795.db2.gz YCOKMVJDOOTRBK-MRXNPFEDSA-N 0 3 359.386 0.916 20 5 FCBDHN CCN(CCO)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278664360 488888211 /nfs/dbraw/zinc/88/82/11/488888211.db2.gz KUMGXVOGHFVWRB-UHFFFAOYSA-N 0 3 350.379 0.585 20 5 FCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041718272 487837969 /nfs/dbraw/zinc/83/79/69/487837969.db2.gz MVAMSFZRMAFKRY-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN CN(CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000066924276 488340955 /nfs/dbraw/zinc/34/09/55/488340955.db2.gz GCTUIFDKBQGSGW-UHFFFAOYSA-N 0 3 352.416 0.996 20 5 FCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000192563994 488422735 /nfs/dbraw/zinc/42/27/35/488422735.db2.gz CPHLUAFGONZYGN-UHFFFAOYSA-N 0 3 350.423 0.864 20 5 FCBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247196895 488482480 /nfs/dbraw/zinc/48/24/80/488482480.db2.gz BWZIZFVQJLDBFE-UKRRQHHQSA-N 0 3 353.423 0.781 20 5 FCBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262119761 488552058 /nfs/dbraw/zinc/55/20/58/488552058.db2.gz JJQQYRFRSFZKBA-MFKMUULPSA-N 0 3 358.420 0.363 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000262458274 488571159 /nfs/dbraw/zinc/57/11/59/488571159.db2.gz UZZOMMPRMJUHTK-NSHDSACASA-N 0 3 356.404 0.083 20 5 FCBDHN Cc1c(C(=O)N2C[C@H](C)NC[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000272546472 488587764 /nfs/dbraw/zinc/58/77/64/488587764.db2.gz KCSAJFCMYGIGGA-DTWKUNHWSA-N 0 3 356.404 0.373 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151280463 488703420 /nfs/dbraw/zinc/70/34/20/488703420.db2.gz SHMBRWHRUIBSQH-CQSZACIVSA-N 0 3 367.454 0.364 20 5 FCBDHN CCN(CCO)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274500510 488714646 /nfs/dbraw/zinc/71/46/46/488714646.db2.gz DUMYWGOIOARYDO-UHFFFAOYSA-N 0 3 372.809 0.408 20 5 FCBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266871840 488739050 /nfs/dbraw/zinc/73/90/50/488739050.db2.gz XYFWTWAGJVNUFO-SECBINFHSA-N 0 3 370.431 0.763 20 5 FCBDHN CS[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275175960 488769170 /nfs/dbraw/zinc/76/91/70/488769170.db2.gz XXENBOYDZBUYII-DZGCQCFKSA-N 0 3 366.443 0.795 20 5 FCBDHN C[NH+](C)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280795289 489032048 /nfs/dbraw/zinc/03/20/48/489032048.db2.gz OVXSFDXZMKHPKA-LBPRGKRZSA-N 0 3 370.431 0.426 20 5 FCBDHN CCOC(=O)[C@]1(COC)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501731 489080729 /nfs/dbraw/zinc/08/07/29/489080729.db2.gz UJNCLHOBSBPOGK-GOEBONIOSA-N 0 3 370.406 0.444 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000291492002 489174345 /nfs/dbraw/zinc/17/43/45/489174345.db2.gz BHZCGDZYJYQGTJ-SMDDNHRTSA-N 0 3 372.381 0.743 20 5 FCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000282558406 489174561 /nfs/dbraw/zinc/17/45/61/489174561.db2.gz REQLCRULSOEAQA-OAHLLOKOSA-N 0 3 356.354 0.410 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283056238 489210888 /nfs/dbraw/zinc/21/08/88/489210888.db2.gz OKWVXENDPXBDOW-SSDOTTSWSA-N 0 3 360.323 0.080 20 5 FCBDHN C[C@H](CO)N1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966765 489223234 /nfs/dbraw/zinc/22/32/34/489223234.db2.gz RCNFDQUYGOGEKS-CABCVRRESA-N 0 3 353.419 0.723 20 5 FCBDHN O=C1CCCN1C[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369826301 489280206 /nfs/dbraw/zinc/28/02/06/489280206.db2.gz SSOLELOUVXQSCI-ZFWWWQNUSA-N 0 3 351.407 0.629 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000370357350 489348839 /nfs/dbraw/zinc/34/88/39/489348839.db2.gz KPRZKBRGEZLKIU-INMHGKMJSA-N 0 3 365.430 0.866 20 5 FCBDHN CN1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000298650121 489348993 /nfs/dbraw/zinc/34/89/93/489348993.db2.gz CDPXCAUHUHLKMY-UHFFFAOYSA-N 0 3 361.446 0.881 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298675075 489351845 /nfs/dbraw/zinc/35/18/45/489351845.db2.gz RRDDCLLJVGUDSE-UHFFFAOYSA-N 0 3 352.391 0.581 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363096195 489423419 /nfs/dbraw/zinc/42/34/19/489423419.db2.gz ZVIUKYLECDCVAT-GJZGRUSLSA-N 0 3 362.386 0.304 20 5 FCBDHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000371845110 489517870 /nfs/dbraw/zinc/51/78/70/489517870.db2.gz AFYKZJVKSFSHIT-HIFRSBDPSA-N 0 3 361.358 0.953 20 5 FCBDHN NC(=O)c1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372428392 489583854 /nfs/dbraw/zinc/58/38/54/489583854.db2.gz OCYZGFXYHJENID-AWEZNQCLSA-N 0 3 361.402 0.612 20 5 FCBDHN CN(C)CC(C)(C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000457203155 489640208 /nfs/dbraw/zinc/64/02/08/489640208.db2.gz HYTBUQJYKMVUEN-UHFFFAOYSA-N 0 3 351.407 0.850 20 5 FCBDHN C[NH2+]C[C@@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685539 489660732 /nfs/dbraw/zinc/66/07/32/489660732.db2.gz YLOOHWPCLMGWQV-LLVKDONJSA-N 0 3 373.435 0.028 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922376 489792527 /nfs/dbraw/zinc/79/25/27/489792527.db2.gz KXCPDHLOUPYTJU-FZMZJTMJSA-N 0 3 364.402 0.483 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000432537602 489845736 /nfs/dbraw/zinc/84/57/36/489845736.db2.gz ZWRPHJCNFIZBLX-UHFFFAOYSA-N 0 3 350.419 0.715 20 5 FCBDHN CC(C)[C@H](C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000433155639 489868713 /nfs/dbraw/zinc/86/87/13/489868713.db2.gz YQFZGYKVPRBALS-NSHDSACASA-N 0 3 358.420 0.220 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000433206292 489872033 /nfs/dbraw/zinc/87/20/33/489872033.db2.gz GTKHEVVFDAIIAB-MEDUHNTESA-N 0 3 354.359 0.776 20 5 FCBDHN NC[C@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000420055290 489895597 /nfs/dbraw/zinc/89/55/97/489895597.db2.gz GGSIHXGLBZORFE-HNNXBMFYSA-N 0 3 361.402 0.097 20 5 FCBDHN COC(=O)c1cc(C(=O)NCC2CCN(CCO)CC2)cc([N+](=O)[O-])c1 ZINC000476774424 489915468 /nfs/dbraw/zinc/91/54/68/489915468.db2.gz HFIQVKZTCFSGFK-UHFFFAOYSA-N 0 3 365.386 0.816 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[NH2+]CCC1(F)F ZINC000420442020 489977459 /nfs/dbraw/zinc/97/74/59/489977459.db2.gz JHDJBMWKDPVHDC-NSHDSACASA-N 0 3 351.331 0.879 20 5 FCBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000420443056 489977646 /nfs/dbraw/zinc/97/76/46/489977646.db2.gz AAEMAYPICKYIDJ-ZJUUUORDSA-N 0 3 357.388 0.772 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC[NH2+]C1CC1)OCCO2 ZINC000420449867 489979269 /nfs/dbraw/zinc/97/92/69/489979269.db2.gz OIDOYFNBSORFIV-UHFFFAOYSA-N 0 3 357.388 0.786 20 5 FCBDHN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)NCCN(C)C ZINC000571225015 491294301 /nfs/dbraw/zinc/29/43/01/491294301.db2.gz QSCYJOWRVWDCEZ-GFCCVEGCSA-N 0 3 361.402 0.732 20 5 FCBDHN COc1ccc(OCCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227148 491295410 /nfs/dbraw/zinc/29/54/10/491295410.db2.gz KOFCUDYUKUCGKP-AAEUAGOBSA-N 0 3 350.375 0.226 20 5 FCBDHN CN(C)C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000465123049 490083128 /nfs/dbraw/zinc/08/31/28/490083128.db2.gz RJBHTLKIYFKIOA-ZDUSSCGKSA-N 0 3 365.386 0.698 20 5 FCBDHN O=C(NC[C@@H]1CCCN(C(=O)c2n[n-]cc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000495723841 490089882 /nfs/dbraw/zinc/08/98/82/490089882.db2.gz KDXZXLLQPMIKFW-WDEREUQCSA-N 0 3 350.379 0.038 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000421707504 490098996 /nfs/dbraw/zinc/09/89/96/490098996.db2.gz XSCGEHOEMGGVEA-ZDUSSCGKSA-N 0 3 362.386 0.873 20 5 FCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000545382892 490125552 /nfs/dbraw/zinc/12/55/52/490125552.db2.gz BTXNCCKLNHKJGE-GOSISDBHSA-N 0 3 371.397 0.939 20 5 FCBDHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571359403 491303205 /nfs/dbraw/zinc/30/32/05/491303205.db2.gz MRZRCDMMLBZSGZ-CJNGLKHVSA-N 0 3 368.386 0.580 20 5 FCBDHN COc1cc(C(=O)NCC2(O)CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000397499458 490166981 /nfs/dbraw/zinc/16/69/81/490166981.db2.gz UXCGKYIXKDNMBL-UHFFFAOYSA-N 0 3 353.375 0.799 20 5 FCBDHN Cc1sc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000467068213 490246306 /nfs/dbraw/zinc/24/63/06/490246306.db2.gz JIFYFFDBMOBLFD-UHFFFAOYSA-N 0 3 363.461 0.947 20 5 FCBDHN N[C@@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498198480 490269625 /nfs/dbraw/zinc/26/96/25/490269625.db2.gz QVXWPLSXVACXMG-QMMMGPOBSA-N 0 3 362.358 0.923 20 5 FCBDHN CN1CC[C@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000468841090 490456137 /nfs/dbraw/zinc/45/61/37/490456137.db2.gz FIOPCNPVNDYLSJ-LLVKDONJSA-N 0 3 360.370 0.930 20 5 FCBDHN CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000524652912 490548825 /nfs/dbraw/zinc/54/88/25/490548825.db2.gz IFIQNGBZPSXDIL-OAHLLOKOSA-N 0 3 363.418 0.947 20 5 FCBDHN CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000556902482 491343068 /nfs/dbraw/zinc/34/30/68/491343068.db2.gz PRSBVXCMOKZPSA-UHFFFAOYSA-N 0 3 366.422 0.674 20 5 FCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000556931712 491344072 /nfs/dbraw/zinc/34/40/72/491344072.db2.gz YNQSCWUQMAPVRQ-AWEZNQCLSA-N 0 3 364.402 0.504 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000502887553 490727692 /nfs/dbraw/zinc/72/76/92/490727692.db2.gz MKKFTTSXTFGSBI-MRXNPFEDSA-N 0 3 353.375 0.337 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@](C)(O)CN(C)C ZINC000502894320 490728386 /nfs/dbraw/zinc/72/83/86/490728386.db2.gz UWLBUGIMASNOHJ-NHYWBVRUSA-N 0 3 356.427 0.256 20 5 FCBDHN CN(C)CCN(CCN(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540922373 490840063 /nfs/dbraw/zinc/84/00/63/490840063.db2.gz XFGJSODYJQVYAE-UHFFFAOYSA-N 0 3 352.391 0.889 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541924651 490878917 /nfs/dbraw/zinc/87/89/17/490878917.db2.gz JQRQKYHLZOGUAU-UHFFFAOYSA-N 0 3 362.390 0.184 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530547364 490912460 /nfs/dbraw/zinc/91/24/60/490912460.db2.gz NQVLRZJWZGHPOL-CYBMUJFWSA-N 0 3 367.402 0.957 20 5 FCBDHN COc1ccc(CSCC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000519654347 490982618 /nfs/dbraw/zinc/98/26/18/490982618.db2.gz ROHRXVPTMHSQLM-ZDUSSCGKSA-N 0 3 368.459 0.938 20 5 FCBDHN COc1ccc(NC(=O)[C@@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000573106654 491413081 /nfs/dbraw/zinc/41/30/81/491413081.db2.gz VRFGLOMCNKSEGB-ONERCXAPSA-N 0 3 352.391 0.537 20 5 FCBDHN C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573562290 491440575 /nfs/dbraw/zinc/44/05/75/491440575.db2.gz XJGBFWNIZKOJSU-MNOVXSKESA-N 0 3 373.435 0.298 20 5 FCBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566495667 491448932 /nfs/dbraw/zinc/44/89/32/491448932.db2.gz IAQPCGBSGYKFQF-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000567675051 491522061 /nfs/dbraw/zinc/52/20/61/491522061.db2.gz YQWQIKWFNNQGAN-MNOVXSKESA-N 0 3 368.415 0.366 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000574979610 491531060 /nfs/dbraw/zinc/53/10/60/491531060.db2.gz UIFGPFPSPQBEOA-UHFFFAOYSA-N 0 3 364.337 1.069 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccncc1OCCN(C)C ZINC000575526958 491555227 /nfs/dbraw/zinc/55/52/27/491555227.db2.gz YLTCKYSPEVZXNA-UHFFFAOYSA-N 0 3 362.390 0.752 20 5 FCBDHN Cn1c(C(=O)NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000560770644 491556681 /nfs/dbraw/zinc/55/66/81/491556681.db2.gz HROXIIJGAXBVNL-UHFFFAOYSA-N 0 3 351.407 0.655 20 5 FCBDHN N[C@@H]1C[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CCN2C1=O ZINC000575882164 491567837 /nfs/dbraw/zinc/56/78/37/491567837.db2.gz KZLUOLLNDWPYLN-QWHCGFSZSA-N 0 3 358.358 0.389 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414507 491575846 /nfs/dbraw/zinc/57/58/46/491575846.db2.gz MWOAWMJLKFHHOF-OLZOCXBDSA-N 0 3 370.369 0.165 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568416071 491576221 /nfs/dbraw/zinc/57/62/21/491576221.db2.gz MGUYFLJILLCXTO-DGCLKSJQSA-N 0 3 350.400 0.457 20 5 FCBDHN CC(C)NS(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576339070 491606454 /nfs/dbraw/zinc/60/64/54/491606454.db2.gz BJTBWVJYLXMIEC-ZDUSSCGKSA-N 0 3 361.420 0.252 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000577275325 491608632 /nfs/dbraw/zinc/60/86/32/491608632.db2.gz UUBHIIZSSMDTQZ-KBMXLJTQSA-N 0 3 367.402 0.560 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1CCCCS1(=O)=O ZINC000577385436 491617262 /nfs/dbraw/zinc/61/72/62/491617262.db2.gz LBLMBVOPBDCXPQ-OLZOCXBDSA-N 0 3 358.416 0.891 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578450620 491677647 /nfs/dbraw/zinc/67/76/47/491677647.db2.gz GTJFACXYXBIXOJ-OAHLLOKOSA-N 0 3 353.423 0.051 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578846109 491685627 /nfs/dbraw/zinc/68/56/27/491685627.db2.gz IMFRZBLKWKIGGU-LLVKDONJSA-N 0 3 351.359 0.900 20 5 FCBDHN CN(C)CCn1nccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000578930657 491687247 /nfs/dbraw/zinc/68/72/47/491687247.db2.gz KWKKQFFZHURKJT-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000588865136 491750772 /nfs/dbraw/zinc/75/07/72/491750772.db2.gz UFCZLHWFAVPLFL-NSHDSACASA-N 0 3 366.374 0.322 20 5 FCBDHN C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581140985 491761232 /nfs/dbraw/zinc/76/12/32/491761232.db2.gz TZZCJPGVJNEFNH-QWRGUYRKSA-N 0 3 356.404 0.211 20 5 FCBDHN Cc1c(NC(=O)CCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440520 491773269 /nfs/dbraw/zinc/77/32/69/491773269.db2.gz ISVJCMLOJBLXQY-CHWSQXEVSA-N 0 3 361.402 0.476 20 5 FCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000581450687 491773727 /nfs/dbraw/zinc/77/37/27/491773727.db2.gz UHLOBSOSIQHNSS-CYBMUJFWSA-N 0 3 350.423 0.862 20 5 FCBDHN CS(=O)(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591770700 491823366 /nfs/dbraw/zinc/82/33/66/491823366.db2.gz ZLPIEWNOXAWPLF-CYBMUJFWSA-N 0 3 354.388 0.346 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1CCCS(=O)(=O)C1 ZINC000583199698 491839987 /nfs/dbraw/zinc/83/99/87/491839987.db2.gz ATKFKBIDQTZPJX-OLZOCXBDSA-N 0 3 358.416 0.749 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CCN2C1=O ZINC000584302846 491862689 /nfs/dbraw/zinc/86/26/89/491862689.db2.gz PGFJDROGXMLIOH-LSDHHAIUSA-N 0 3 370.369 0.165 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CCN2C1=O ZINC000584302844 491862725 /nfs/dbraw/zinc/86/27/25/491862725.db2.gz PGFJDROGXMLIOH-GJZGRUSLSA-N 0 3 370.369 0.165 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601288027 491901833 /nfs/dbraw/zinc/90/18/33/491901833.db2.gz ZIRPQYAYSOHAOG-UHFFFAOYSA-N 0 3 356.448 0.998 20 5 FCBDHN COc1ccc(NC(=O)CCNC2(C(N)=O)CCOCC2)c([N+](=O)[O-])c1 ZINC000595727298 491950408 /nfs/dbraw/zinc/95/04/08/491950408.db2.gz AGHCWHFLEGYNOU-UHFFFAOYSA-N 0 3 366.374 0.556 20 5 FCBDHN CN1CCCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603404352 492031302 /nfs/dbraw/zinc/03/13/02/492031302.db2.gz ZJPCVTSFDDHIPN-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597653289 492056761 /nfs/dbraw/zinc/05/67/61/492056761.db2.gz IWHVZHSTXFTMIC-WDEREUQCSA-N 0 3 370.431 0.300 20 5 FCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062669 492082314 /nfs/dbraw/zinc/08/23/14/492082314.db2.gz UCJMDOFMNNPZGE-UHFFFAOYSA-N 0 3 359.390 0.610 20 5 FCBDHN COc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598183773 492088091 /nfs/dbraw/zinc/08/80/91/492088091.db2.gz ASRUIDGZNCDEFF-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN CN(C[C@@H]1CCCN(C)C1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596917 492107190 /nfs/dbraw/zinc/10/71/90/492107190.db2.gz BIAXEBNIGWVAFC-CYBMUJFWSA-N 0 3 350.423 0.999 20 5 FCBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000616091105 492116894 /nfs/dbraw/zinc/11/68/94/492116894.db2.gz MKFUCPWAOSQNOK-BLLLJJGKSA-N 0 3 367.402 0.955 20 5 FCBDHN COC(=O)c1cc(C)nc(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599104620 492135685 /nfs/dbraw/zinc/13/56/85/492135685.db2.gz FXXIGEYLKPMBOM-UHFFFAOYSA-N 0 3 363.418 0.768 20 5 FCBDHN COCCN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609189475 492199673 /nfs/dbraw/zinc/19/96/73/492199673.db2.gz YBQGDLOJISKAGH-CYBMUJFWSA-N 0 3 366.418 0.750 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000609811808 492223220 /nfs/dbraw/zinc/22/32/20/492223220.db2.gz SRAWQFBLDWRCSH-ZDUSSCGKSA-N 0 3 350.375 0.998 20 5 FCBDHN NC(=O)C1(c2ccccc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610369618 492243530 /nfs/dbraw/zinc/24/35/30/492243530.db2.gz HDWRCZPQIOMVKU-INIZCTEOSA-N 0 3 373.413 0.671 20 5 FCBDHN CC(C)N1CCN(C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000619789869 492278132 /nfs/dbraw/zinc/27/81/32/492278132.db2.gz WUXXNPUYEZPNKI-UHFFFAOYSA-N 0 3 350.423 0.949 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000419981542 535924360 /nfs/dbraw/zinc/92/43/60/535924360.db2.gz AHJPAQCMKPDVON-QGZVFWFLSA-N 0 3 366.418 0.534 20 5 FCBDHN CC[C@@H](N)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000591934281 546942958 /nfs/dbraw/zinc/94/29/58/546942958.db2.gz YFLAKVFXJHSOQL-GFCCVEGCSA-N 0 3 370.431 0.384 20 5 FCBDHN NC[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450870 546999342 /nfs/dbraw/zinc/99/93/42/546999342.db2.gz VTAJFQHDYVPLJK-VIFPVBQESA-N 0 3 366.321 0.792 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737745607 598374479 /nfs/dbraw/zinc/37/44/79/598374479.db2.gz PYXTXJYHRONYHT-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737745607 598374480 /nfs/dbraw/zinc/37/44/80/598374480.db2.gz PYXTXJYHRONYHT-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737745607 598374481 /nfs/dbraw/zinc/37/44/81/598374481.db2.gz PYXTXJYHRONYHT-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737745607 598374482 /nfs/dbraw/zinc/37/44/82/598374482.db2.gz PYXTXJYHRONYHT-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738369193 598523682 /nfs/dbraw/zinc/52/36/82/598523682.db2.gz JEOPGHZZFFNBAJ-SNVBAGLBSA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738369193 598523684 /nfs/dbraw/zinc/52/36/84/598523684.db2.gz JEOPGHZZFFNBAJ-SNVBAGLBSA-N 0 3 355.362 0.803 20 5 FCBDHN CN1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736852261 598772828 /nfs/dbraw/zinc/77/28/28/598772828.db2.gz PETUSKJNMZXYPL-NSHDSACASA-N 0 3 373.421 0.750 20 5 FCBDHN CN1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736852261 598772831 /nfs/dbraw/zinc/77/28/31/598772831.db2.gz PETUSKJNMZXYPL-NSHDSACASA-N 0 3 373.421 0.750 20 5 FCBDHN C[C@]12CN(CC(=O)NC3CC3)C[C@@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000982278635 664863571 /nfs/dbraw/zinc/86/35/71/664863571.db2.gz MEROHRGOANKEND-KFZJALRRSA-N 0 3 350.419 0.101 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001003901088 667636133 /nfs/dbraw/zinc/63/61/33/667636133.db2.gz JFLQYSJMHANKGW-CHWSQXEVSA-N 0 3 350.375 0.195 20 5 FCBDHN O=C1NCC2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000782000478 668542328 /nfs/dbraw/zinc/54/23/28/668542328.db2.gz XHWHIAYYFUSTKK-ZDUSSCGKSA-N 0 3 351.359 0.909 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)Cc2ccccc2)c1 ZINC000818976752 668967440 /nfs/dbraw/zinc/96/74/40/668967440.db2.gz NUDNYXCTEJRIHA-HNNXBMFYSA-N 0 3 368.415 0.357 20 5 FCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)c1ccccn1 ZINC000853100413 671537387 /nfs/dbraw/zinc/53/73/87/671537387.db2.gz DUHUJKJOQHXNRK-AWEZNQCLSA-N 0 3 366.399 0.591 20 5 FCBDHN CC([C@@H](OC(=O)CN1CC(=O)N(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000860855298 671921848 /nfs/dbraw/zinc/92/18/48/671921848.db2.gz WLJBDFIGIXWIBU-YMTOWFKASA-N 0 3 353.306 0.969 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccsn1 ZINC001055593218 676026176 /nfs/dbraw/zinc/02/61/76/676026176.db2.gz FRXHHUHBPWHKTK-DGCLKSJQSA-N 0 3 367.431 0.119 20 5 FCBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(=O)N2CCCCC2)CC1 ZINC001045436939 675653809 /nfs/dbraw/zinc/65/38/09/675653809.db2.gz YWPBHPBMYWYTCJ-ZIAGYGMSSA-N 0 3 352.435 0.635 20 5 FCBDHN O=C(NC1CCN(C(=O)c2cccc3c[nH]nc32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000947674147 1183010776 /nfs/dbraw/zinc/01/07/76/1183010776.db2.gz OHHVTZAGVCKTJX-ZIAGYGMSSA-N 0 3 357.370 0.949 20 5 FCBDHN CN(C)C(=O)C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000553253612 1193982371 /nfs/dbraw/zinc/98/23/71/1193982371.db2.gz SUAUEVMSBMPEFY-CVEARBPZSA-N 0 3 361.402 0.961 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000819837487 1203172084 /nfs/dbraw/zinc/17/20/84/1203172084.db2.gz MXAQWOGVLRDBPO-ZDUSSCGKSA-N 0 3 360.374 0.362 20 5 FCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000779603543 1212750826 /nfs/dbraw/zinc/75/08/26/1212750826.db2.gz HAJHHMSLPBHAQP-QGZVFWFLSA-N 0 3 365.430 0.787 20 5 FCBDHN O=C(NCc1cccc2c1CCN(C(=O)c1ccn[nH]1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000964381190 1214963327 /nfs/dbraw/zinc/96/33/27/1214963327.db2.gz FPDGZMNGDTZROS-GDBMZVCRSA-N 0 3 369.381 0.890 20 5 FCBDHN CCN(C(=O)c1cccc2c[nH]nc21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968199501 1215297355 /nfs/dbraw/zinc/29/73/55/1215297355.db2.gz HLZJVNTXFODUOJ-ZIAGYGMSSA-N 0 3 357.370 0.901 20 5 FCBDHN COCC(C)(C)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055599592 1219095776 /nfs/dbraw/zinc/09/57/76/1219095776.db2.gz DSZUJWCNKAPPAF-ZIAGYGMSSA-N 0 3 370.450 0.021 20 5 FCBDHN CC1CCN(C(=O)CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001072725208 1219620471 /nfs/dbraw/zinc/62/04/71/1219620471.db2.gz KNXPNPXAHOEIGK-HUUCEWRRSA-N 0 3 364.446 0.444 20 5 FCBDHN Cc1cc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC001098364698 1219766964 /nfs/dbraw/zinc/76/69/64/1219766964.db2.gz AEBBVLBWAAXCIP-HZPDHXFCSA-N 0 3 365.434 0.179 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978794039 1248772255 /nfs/dbraw/zinc/77/22/55/1248772255.db2.gz DTBSQWXIBONUEY-YXCITZCRSA-N 0 3 364.402 0.631 20 5 FCBDHN CCN1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000916729501 1245538894 /nfs/dbraw/zinc/53/88/94/1245538894.db2.gz HMWNDBMGUIIADA-UHFFFAOYSA-N 0 3 359.390 0.967 20 5 FCBDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001328467048 1265556724 /nfs/dbraw/zinc/55/67/24/1265556724.db2.gz MBYDEMIPVNKLSK-CYBMUJFWSA-N 0 3 366.422 0.144 20 5 FCBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001517379572 1265596258 /nfs/dbraw/zinc/59/62/58/1265596258.db2.gz LYMZRHCHNJDDFR-AWEZNQCLSA-N 0 3 352.439 0.869 20 5 FCBDHN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccn2cncc2c1 ZINC001063792079 1254386570 /nfs/dbraw/zinc/38/65/70/1254386570.db2.gz NJXLSJODUFTBTQ-ZIAGYGMSSA-N 0 3 357.370 0.768 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001336414135 1260118910 /nfs/dbraw/zinc/11/89/10/1260118910.db2.gz XXPCOSHFPQBNMV-GOSISDBHSA-N 0 3 373.457 0.629 20 5 FCBDHN Cc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001304079587 1263126724 /nfs/dbraw/zinc/12/67/24/1263126724.db2.gz PVMRYPCXBTVPQW-LBPRGKRZSA-N 0 3 372.385 0.687 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001319730631 1263725426 /nfs/dbraw/zinc/72/54/26/1263725426.db2.gz VBORNFULBUXTKU-GXTWGEPZSA-N 0 3 364.450 0.735 20 5 FCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001322644505 1264234878 /nfs/dbraw/zinc/23/48/78/1264234878.db2.gz ATFQMNXDQRUEFW-INIZCTEOSA-N 0 3 360.414 0.950 20 5 FCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001326126876 1265061211 /nfs/dbraw/zinc/06/12/11/1265061211.db2.gz BOFILJNLNMRJFU-OAHLLOKOSA-N 0 3 372.381 0.962 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001607076851 1288650979 /nfs/dbraw/zinc/65/09/79/1288650979.db2.gz COLIDIOWPATMDE-UONOGXRCSA-N 0 3 359.390 0.416 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001607076851 1288650983 /nfs/dbraw/zinc/65/09/83/1288650983.db2.gz COLIDIOWPATMDE-UONOGXRCSA-N 0 3 359.390 0.416 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001607076851 1288650987 /nfs/dbraw/zinc/65/09/87/1288650987.db2.gz COLIDIOWPATMDE-UONOGXRCSA-N 0 3 359.390 0.416 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001607076851 1288650989 /nfs/dbraw/zinc/65/09/89/1288650989.db2.gz COLIDIOWPATMDE-UONOGXRCSA-N 0 3 359.390 0.416 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086012 1288654201 /nfs/dbraw/zinc/65/42/01/1288654201.db2.gz HCTCBCNFWDAVCT-QWHCGFSZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086012 1288654206 /nfs/dbraw/zinc/65/42/06/1288654206.db2.gz HCTCBCNFWDAVCT-QWHCGFSZSA-N 0 3 360.378 0.205 20 5 FCBDHN Cc1cncc(CN2CCN(CCN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001691933831 1289344529 /nfs/dbraw/zinc/34/45/29/1289344529.db2.gz TVMFDXPBOSDXOM-IAGOWNOFSA-N 0 3 361.446 0.631 20 5 FCBDHN COc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)on1 ZINC001699883759 1289572337 /nfs/dbraw/zinc/57/23/37/1289572337.db2.gz YHMVKIPNGNZLPY-VXGBXAGGSA-N 0 3 354.363 0.103 20 5 FCBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CCCC1 ZINC001072725578 837743771 /nfs/dbraw/zinc/74/37/71/837743771.db2.gz PIQHTFJITYVJNL-ZIAGYGMSSA-N 0 3 350.419 0.245 20 5 FCBDHN CC(C)C(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079157317 839489063 /nfs/dbraw/zinc/48/90/63/839489063.db2.gz INWLRJFXVKSLAV-HUUCEWRRSA-N 0 3 354.451 0.738 20 5 FCBDHN NC(=O)COC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001116551896 846704678 /nfs/dbraw/zinc/70/46/78/846704678.db2.gz UDFHSPGNOIIOBQ-GFCCVEGCSA-N 0 3 353.375 0.301 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001118934132 847640222 /nfs/dbraw/zinc/64/02/22/847640222.db2.gz YXHAJFORERVCGC-UHFFFAOYSA-N 0 3 370.475 0.994 20 5 FCBDHN CS(=O)(=O)N(c1cc2ncnc(Cl)c2cc1[N+](=O)[O-])C1CNC1 ZINC001166967638 850516680 /nfs/dbraw/zinc/51/66/80/850516680.db2.gz QRWILIROYGPLLQ-UHFFFAOYSA-N 0 3 357.779 0.929 20 5 FCBDHN CC(C)CN1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC1 ZINC001263567309 859178816 /nfs/dbraw/zinc/17/88/16/859178816.db2.gz XUVMBCUQOFZOQK-CQSZACIVSA-N 0 3 352.439 0.869 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC001343482133 870449858 /nfs/dbraw/zinc/44/98/58/870449858.db2.gz XPCPHFMLSPQHCE-KBPBESRZSA-N 0 3 350.379 0.321 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC001343482136 870450094 /nfs/dbraw/zinc/45/00/94/870450094.db2.gz XPCPHFMLSPQHCE-ZIAGYGMSSA-N 0 3 350.379 0.321 20 5 FCBDHN CN(CCO)CCNc1c(I)cncc1[N+](=O)[O-] ZINC001333430039 873952025 /nfs/dbraw/zinc/95/20/25/873952025.db2.gz FKGKTNCAASLREQ-UHFFFAOYSA-N 0 3 366.159 0.352 20 5 FCBDHN COCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(C)CC1 ZINC000291410528 214032833 /nfs/dbraw/zinc/03/28/33/214032833.db2.gz JBPHGBQDOHSPHH-UHFFFAOYSA-N 0 3 366.418 0.716 20 5 FCBDHN NS(=O)(=O)C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265032955 210042194 /nfs/dbraw/zinc/04/21/94/210042194.db2.gz LFCWEQJYYFOPHP-LBPRGKRZSA-N 0 3 370.431 0.924 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264900800 210011559 /nfs/dbraw/zinc/01/15/59/210011559.db2.gz LNSYGSHLNJDJRT-UHFFFAOYSA-N 0 3 366.418 0.979 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504558 215395688 /nfs/dbraw/zinc/39/56/88/215395688.db2.gz VQCPXYXZBRCXJS-UONOGXRCSA-N 0 3 351.407 0.778 20 5 FCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000282558402 212855909 /nfs/dbraw/zinc/85/59/09/212855909.db2.gz REQLCRULSOEAQA-HNNXBMFYSA-N 0 3 356.354 0.410 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CC13CC[NH2+]CC3)OCCO2 ZINC000367822932 216167278 /nfs/dbraw/zinc/16/72/78/216167278.db2.gz MYIOIGHRUZOJRH-AWEZNQCLSA-N 0 3 369.399 0.786 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000193101910 209308124 /nfs/dbraw/zinc/30/81/24/209308124.db2.gz KQUDHUFDNDYLPQ-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189932525 209263183 /nfs/dbraw/zinc/26/31/83/209263183.db2.gz YQYLVZSGRWKWSY-GFCCVEGCSA-N 0 3 350.419 0.971 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCN2CCN(C(C)C)CC2)c1 ZINC000188297233 209227927 /nfs/dbraw/zinc/22/79/27/209227927.db2.gz VBXKWNCKYYZYGQ-UHFFFAOYSA-N 0 3 366.418 0.959 20 5 FCBDHN NCC(=O)N1CCC[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703740 245313730 /nfs/dbraw/zinc/31/37/30/245313730.db2.gz LWZDJBLXSSLSNS-HNNXBMFYSA-N 0 3 361.446 0.914 20 5 FCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373760257 217055418 /nfs/dbraw/zinc/05/54/18/217055418.db2.gz VPCYGAIKBALTAS-HOCLYGCPSA-N 0 3 354.407 0.812 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000375819098 217320734 /nfs/dbraw/zinc/32/07/34/217320734.db2.gz XUNNSWWISYBCGV-KBAYOESNSA-N 0 3 365.430 0.866 20 5 FCBDHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000423504555 247039665 /nfs/dbraw/zinc/03/96/65/247039665.db2.gz NMKZONVDHZAURU-MNOVXSKESA-N 0 3 356.404 0.082 20 5 FCBDHN Cn1cc([C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2N)cn1 ZINC000424303165 247194734 /nfs/dbraw/zinc/19/47/34/247194734.db2.gz ZBHQUOZNLZMXCE-BBWFWOEESA-N 0 3 370.413 0.860 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000424388172 247203231 /nfs/dbraw/zinc/20/32/31/247203231.db2.gz GRNSSTHDCMZSCN-QWHCGFSZSA-N 0 3 365.415 0.752 20 5 FCBDHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424390739 247204460 /nfs/dbraw/zinc/20/44/60/247204460.db2.gz LCJCGBUEHTXIAP-UONOGXRCSA-N 0 3 351.388 0.444 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424393074 247206092 /nfs/dbraw/zinc/20/60/92/247206092.db2.gz QSMCKLRBACZZKY-UONOGXRCSA-N 0 3 365.415 0.752 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000439858601 248144507 /nfs/dbraw/zinc/14/45/07/248144507.db2.gz QDYRKUZACLAASL-INIZCTEOSA-N 0 3 366.374 0.115 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452348698 249310863 /nfs/dbraw/zinc/31/08/63/249310863.db2.gz LPBDCIKVXZKLRG-CQSZACIVSA-N 0 3 374.401 0.752 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455639431 249484524 /nfs/dbraw/zinc/48/45/24/249484524.db2.gz MGIJCNQOPKVXFL-GFCCVEGCSA-N 0 3 350.423 0.787 20 5 FCBDHN CS[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271010880 211316251 /nfs/dbraw/zinc/31/62/51/211316251.db2.gz GWGCBHKIEPEESQ-ZIAGYGMSSA-N 0 3 366.443 0.829 20 5 FCBDHN CC(C)OCCOC[C@@H](O)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270579429 211226810 /nfs/dbraw/zinc/22/68/10/211226810.db2.gz QEEVXIAGAFTFLP-HNNXBMFYSA-N 0 3 357.407 0.491 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)CN(C)C ZINC000269904089 211113935 /nfs/dbraw/zinc/11/39/35/211113935.db2.gz MSBPVEUMRXNGOE-BZNIZROVSA-N 0 3 352.391 0.142 20 5 FCBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481797000 250362513 /nfs/dbraw/zinc/36/25/13/250362513.db2.gz PTLRTWFILGHWBX-GFCCVEGCSA-N 0 3 363.374 0.882 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915100 533007261 /nfs/dbraw/zinc/00/72/61/533007261.db2.gz YOVWZEQWQHRSQI-HIFRSBDPSA-N 0 3 367.402 0.371 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000112922422 208304673 /nfs/dbraw/zinc/30/46/73/208304673.db2.gz MNIUJAYYJQIWCY-CQSZACIVSA-N 0 3 352.439 0.571 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915102 533486860 /nfs/dbraw/zinc/48/68/60/533486860.db2.gz YOVWZEQWQHRSQI-ZFWWWQNUSA-N 0 3 367.402 0.371 20 5 FCBDHN O=C(NCC1CC1)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173534481 229211264 /nfs/dbraw/zinc/21/12/64/229211264.db2.gz MNSJLAQZXSUTFB-ZFWWWQNUSA-N 0 3 351.407 0.390 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000288255209 488962171 /nfs/dbraw/zinc/96/21/71/488962171.db2.gz TVOSXKRXWYYNNS-JTQLQIEISA-N 0 3 366.374 0.761 20 5 FCBDHN COCCN(C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042773829 487879006 /nfs/dbraw/zinc/87/90/06/487879006.db2.gz IXZBIJOVFVKPLX-CYBMUJFWSA-N 0 3 366.418 0.798 20 5 FCBDHN C[C@@H](CN1CCOCC1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279713253 488963192 /nfs/dbraw/zinc/96/31/92/488963192.db2.gz KROMTCXRSDGXQD-GJZGRUSLSA-N 0 3 353.419 0.987 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467656 488365814 /nfs/dbraw/zinc/36/58/14/488365814.db2.gz XGJCGYZHZPIFSL-ZDUSSCGKSA-N 0 3 352.439 0.490 20 5 FCBDHN CN(C)CCn1nnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000075342280 488396605 /nfs/dbraw/zinc/39/66/05/488396605.db2.gz XWBJTQOTWFKNQE-UHFFFAOYSA-N 0 3 351.392 0.874 20 5 FCBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000083028413 488446833 /nfs/dbraw/zinc/44/68/33/488446833.db2.gz YRBMABAJEMWTJY-ZIAGYGMSSA-N 0 3 366.418 0.762 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000102488580 488497998 /nfs/dbraw/zinc/49/79/98/488497998.db2.gz VFGBALCFDGCEPU-ZDUSSCGKSA-N 0 3 366.466 0.940 20 5 FCBDHN O=C(CC[C@@H]1CC[NH2+]C1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261877541 488539541 /nfs/dbraw/zinc/53/95/41/488539541.db2.gz SIYSKQJWMURWGP-GFCCVEGCSA-N 0 3 370.431 0.379 20 5 FCBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000116615900 488548754 /nfs/dbraw/zinc/54/87/54/488548754.db2.gz AUTBKSNLJGOQCS-UHFFFAOYSA-N 0 3 355.395 0.972 20 5 FCBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000116615900 488548756 /nfs/dbraw/zinc/54/87/56/488548756.db2.gz AUTBKSNLJGOQCS-UHFFFAOYSA-N 0 3 355.395 0.972 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262255191 488559680 /nfs/dbraw/zinc/55/96/80/488559680.db2.gz DVIWDZUANIIIGW-ZDUSSCGKSA-N 0 3 358.420 0.510 20 5 FCBDHN CCc1nncn1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562995182 491206505 /nfs/dbraw/zinc/20/65/05/491206505.db2.gz IOHLXQAFMOKSBH-UHFFFAOYSA-N 0 3 353.404 0.812 20 5 FCBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CN1CCN(C)CC1 ZINC000272412700 488579104 /nfs/dbraw/zinc/57/91/04/488579104.db2.gz ZLTHSDASRLLJAL-LBPRGKRZSA-N 0 3 364.402 0.937 20 5 FCBDHN COCCNCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262617382 488581892 /nfs/dbraw/zinc/58/18/92/488581892.db2.gz GWACDBRRLOQUSX-UHFFFAOYSA-N 0 3 350.375 0.115 20 5 FCBDHN COCCN(C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273055776 488628623 /nfs/dbraw/zinc/62/86/23/488628623.db2.gz WJFSAXLSXFPRPT-OAHLLOKOSA-N 0 3 350.375 0.782 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000274249955 488693699 /nfs/dbraw/zinc/69/36/99/488693699.db2.gz HYYACAQKSJTHOA-MRXNPFEDSA-N 0 3 352.391 0.579 20 5 FCBDHN CCN(CCO)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274494055 488713786 /nfs/dbraw/zinc/71/37/86/488713786.db2.gz CONQMAFUWLHALL-UHFFFAOYSA-N 0 3 352.391 0.063 20 5 FCBDHN COc1cc(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000267051603 488756868 /nfs/dbraw/zinc/75/68/68/488756868.db2.gz GEPVAXATGHLZGD-UHFFFAOYSA-N 0 3 353.375 0.799 20 5 FCBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000267144670 488764550 /nfs/dbraw/zinc/76/45/50/488764550.db2.gz HQWVWWRLLOAIGY-UHFFFAOYSA-N 0 3 352.347 0.998 20 5 FCBDHN CS[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275175964 488769239 /nfs/dbraw/zinc/76/92/39/488769239.db2.gz XXENBOYDZBUYII-ZFWWWQNUSA-N 0 3 366.443 0.795 20 5 FCBDHN COc1ccc(OCCN(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000267646679 488809273 /nfs/dbraw/zinc/80/92/73/488809273.db2.gz WWOXUVKQZGTFDS-CQSZACIVSA-N 0 3 369.418 0.607 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000166408429 488811955 /nfs/dbraw/zinc/81/19/55/488811955.db2.gz LWLKFIYRTCTLFT-UHFFFAOYSA-N 0 3 374.401 0.550 20 5 FCBDHN CNS(=O)(=O)c1ccc(N[C@@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000288855915 489022696 /nfs/dbraw/zinc/02/26/96/489022696.db2.gz DRPVJQNGFADHKH-GFCCVEGCSA-N 0 3 372.447 0.762 20 5 FCBDHN CCOC(=O)[C@@]1(COC)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501748 489080372 /nfs/dbraw/zinc/08/03/72/489080372.db2.gz UJNCLHOBSBPOGK-ZBFHGGJFSA-N 0 3 370.406 0.444 20 5 FCBDHN CN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282093146 489133209 /nfs/dbraw/zinc/13/32/09/489133209.db2.gz BXJYTDIIMUXATJ-UHFFFAOYSA-N 0 3 356.448 0.899 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282471995 489166836 /nfs/dbraw/zinc/16/68/36/489166836.db2.gz LJEKSLKRLKVJNW-UHFFFAOYSA-N 0 3 356.354 0.411 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563449665 491248030 /nfs/dbraw/zinc/24/80/30/491248030.db2.gz ZKXCGPGOKJMYTG-NWDGAFQWSA-N 0 3 363.374 0.769 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000298475049 489329759 /nfs/dbraw/zinc/32/97/59/489329759.db2.gz AAASLGIYEKIJAD-UHFFFAOYSA-N 0 3 353.379 0.183 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000298667009 489350759 /nfs/dbraw/zinc/35/07/59/489350759.db2.gz REIUIPLAKAEECF-INIZCTEOSA-N 0 3 352.391 0.579 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286977084 489448286 /nfs/dbraw/zinc/44/82/86/489448286.db2.gz BPWMNHLTEXEHRE-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN C[C@@H]1CCN[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000423098836 489493638 /nfs/dbraw/zinc/49/36/38/489493638.db2.gz SPAWZGQQBFNTJW-RISCZKNCSA-N 0 3 370.431 0.377 20 5 FCBDHN NC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000415457609 489522319 /nfs/dbraw/zinc/52/23/19/489522319.db2.gz SZGAEWFHXSURJT-JTQLQIEISA-N 0 3 358.301 0.988 20 5 FCBDHN CCOc1cc(NC(=O)C(=O)N[C@@H](C)CN)c([N+](=O)[O-])cc1OCC ZINC000415656545 489539533 /nfs/dbraw/zinc/53/95/33/489539533.db2.gz PLZTWZVBTKRQFO-VIFPVBQESA-N 0 3 354.363 0.794 20 5 FCBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000426896053 489585803 /nfs/dbraw/zinc/58/58/03/489585803.db2.gz WBZXMRYSEVZONJ-CYBMUJFWSA-N 0 3 363.374 0.731 20 5 FCBDHN CN(C)CC(C)(C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000457224023 489640872 /nfs/dbraw/zinc/64/08/72/489640872.db2.gz QRYBWAWAUBSEQZ-UHFFFAOYSA-N 0 3 350.375 0.777 20 5 FCBDHN CN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)C1 ZINC000372859188 489645403 /nfs/dbraw/zinc/64/54/03/489645403.db2.gz QIBHAACLCCWWCR-CVEARBPZSA-N 0 3 356.382 0.971 20 5 FCBDHN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000488971836 489689266 /nfs/dbraw/zinc/68/92/66/489689266.db2.gz KQVVCZYCYCVCAS-UHFFFAOYSA-N 0 3 374.405 0.440 20 5 FCBDHN COCCNCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418508845 489703212 /nfs/dbraw/zinc/70/32/12/489703212.db2.gz NKSLGURLMKGFHZ-UHFFFAOYSA-N 0 3 351.407 0.662 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000469363950 489703774 /nfs/dbraw/zinc/70/37/74/489703774.db2.gz NRTDHXWAFONOHI-GWCFXTLKSA-N 0 3 371.415 0.952 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)N1CCNCC1 ZINC000430627791 489758161 /nfs/dbraw/zinc/75/81/61/489758161.db2.gz NOHBPXHUFUKYBK-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN Cc1c(C(=O)N(C)CCN(C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000474584566 489771367 /nfs/dbraw/zinc/77/13/67/489771367.db2.gz WZFJINGNHUUNCJ-UHFFFAOYSA-N 0 3 370.431 0.717 20 5 FCBDHN CN(C)CCOCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000564018630 491283689 /nfs/dbraw/zinc/28/36/89/491283689.db2.gz MMLZPDXYSBEIJD-UHFFFAOYSA-N 0 3 364.402 0.174 20 5 FCBDHN COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000420461046 489981268 /nfs/dbraw/zinc/98/12/68/489981268.db2.gz LMROZZWLEHLKRO-SECBINFHSA-N 0 3 367.330 0.642 20 5 FCBDHN COC(=O)C[C@@]1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000464606366 490061893 /nfs/dbraw/zinc/06/18/93/490061893.db2.gz FZDOPHNVDIWPTP-CJNGLKHVSA-N 0 3 354.359 0.646 20 5 FCBDHN COC(=O)C[C@@]1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000464601343 490062094 /nfs/dbraw/zinc/06/20/94/490062094.db2.gz YUIWOYQBXKJYDC-WBMJQRKESA-N 0 3 354.359 0.646 20 5 FCBDHN O=C(NC[C@H]1CCCN(C(=O)c2n[n-]cc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000495723838 490089613 /nfs/dbraw/zinc/08/96/13/490089613.db2.gz KDXZXLLQPMIKFW-GHMZBOCLSA-N 0 3 350.379 0.038 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000421700099 490098966 /nfs/dbraw/zinc/09/89/66/490098966.db2.gz DDFCJYPBPSGJNO-NSHDSACASA-N 0 3 360.370 0.743 20 5 FCBDHN CC[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000421971221 490121024 /nfs/dbraw/zinc/12/10/24/490121024.db2.gz AKTDINOLXLZHCA-AWEZNQCLSA-N 0 3 372.447 0.672 20 5 FCBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422026136 490127415 /nfs/dbraw/zinc/12/74/15/490127415.db2.gz SQUICLYVZVZRHI-NSHDSACASA-N 0 3 370.431 0.717 20 5 FCBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422026124 490128864 /nfs/dbraw/zinc/12/88/64/490128864.db2.gz SQUICLYVZVZRHI-LLVKDONJSA-N 0 3 370.431 0.717 20 5 FCBDHN CC(C)NC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000520611921 490172547 /nfs/dbraw/zinc/17/25/47/490172547.db2.gz VLANJUWPPAFMTF-CHWSQXEVSA-N 0 3 361.402 0.481 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000564490669 491310364 /nfs/dbraw/zinc/31/03/64/491310364.db2.gz JADCOYWGEQJTAU-FZMZJTMJSA-N 0 3 351.359 0.568 20 5 FCBDHN CN(C)CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)ccn1 ZINC000546855445 490253731 /nfs/dbraw/zinc/25/37/31/490253731.db2.gz LFUUVHGQLOANMV-UHFFFAOYSA-N 0 3 360.374 0.837 20 5 FCBDHN CCN1CCN(C(=O)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000571484678 491311187 /nfs/dbraw/zinc/31/11/87/491311187.db2.gz BOQHUATVUBXROI-UHFFFAOYSA-N 0 3 360.374 0.365 20 5 FCBDHN Cn1c(C(=O)NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000534661675 490395578 /nfs/dbraw/zinc/39/55/78/490395578.db2.gz UYJSCNVDVVZLAS-UHFFFAOYSA-N 0 3 353.423 0.053 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450591491 490477952 /nfs/dbraw/zinc/47/79/52/490477952.db2.gz GANKQPIRDYPIQJ-LBPRGKRZSA-N 0 3 372.447 0.762 20 5 FCBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCc2ccccc21 ZINC000564847069 491330791 /nfs/dbraw/zinc/33/07/91/491330791.db2.gz XIWXNUOIIWTLIZ-OAHLLOKOSA-N 0 3 359.386 0.721 20 5 FCBDHN C[C@H]1CN(CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000524267090 490528356 /nfs/dbraw/zinc/52/83/56/490528356.db2.gz COVJNRVFHRVXET-STQMWFEESA-N 0 3 366.422 0.534 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000501739135 490638373 /nfs/dbraw/zinc/63/83/73/490638373.db2.gz KFKDTIYQQLFMLN-HUUCEWRRSA-N 0 3 373.413 0.941 20 5 FCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000537167321 490655775 /nfs/dbraw/zinc/65/57/75/490655775.db2.gz DDHJLNGMLSTGHO-ZWNOBZJWSA-N 0 3 369.403 0.150 20 5 FCBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000572112645 491349143 /nfs/dbraw/zinc/34/91/43/491349143.db2.gz RSENXEMGXDKNFJ-UONOGXRCSA-N 0 3 367.402 0.562 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000513831021 490750606 /nfs/dbraw/zinc/75/06/06/490750606.db2.gz IMPDSNKIWKHDKX-CYBMUJFWSA-N 0 3 364.402 0.934 20 5 FCBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488704904 490772935 /nfs/dbraw/zinc/77/29/35/490772935.db2.gz UCJIPURLLCRZPX-CQSZACIVSA-N 0 3 350.419 0.942 20 5 FCBDHN C[C@@H]1CN(C[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000488745209 490773721 /nfs/dbraw/zinc/77/37/21/490773721.db2.gz KUXDAIOXWUFODD-IIAWOOMASA-N 0 3 367.450 0.898 20 5 FCBDHN CC(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000572191139 491354900 /nfs/dbraw/zinc/35/49/00/491354900.db2.gz FNFPDEHYNMFLOX-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN CN1CC=C(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000539446520 490784176 /nfs/dbraw/zinc/78/41/76/490784176.db2.gz PFYDAEKOAZGXMK-UHFFFAOYSA-N 0 3 361.402 0.772 20 5 FCBDHN CS(=O)(=O)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000515553809 490831307 /nfs/dbraw/zinc/83/13/07/490831307.db2.gz WEIXVWCWIWAZNG-HNNXBMFYSA-N 0 3 368.415 0.487 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000565223872 491361413 /nfs/dbraw/zinc/36/14/13/491361413.db2.gz BMLAEVNDKBJHHB-NSHDSACASA-N 0 3 370.793 0.897 20 5 FCBDHN CC1(C)C(=O)N[C@@H]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517069050 490894140 /nfs/dbraw/zinc/89/41/40/490894140.db2.gz TWWWHHMSRJKKPK-UONOGXRCSA-N 0 3 351.407 0.389 20 5 FCBDHN CSc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000565240584 491363939 /nfs/dbraw/zinc/36/39/39/491363939.db2.gz YTZUSHUVJDLNLF-QWRGUYRKSA-N 0 3 350.400 0.701 20 5 FCBDHN COc1ccc(CSCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000517959122 490926248 /nfs/dbraw/zinc/92/62/48/490926248.db2.gz CCZDIUBCIBKSLL-KBPBESRZSA-N 0 3 369.443 0.970 20 5 FCBDHN O=C1NC(=O)C2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000544131976 490958719 /nfs/dbraw/zinc/95/87/19/490958719.db2.gz AVMUTLYXGGRVGP-LLVKDONJSA-N 0 3 364.358 0.009 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCOCC1 ZINC000569525190 491166577 /nfs/dbraw/zinc/16/65/77/491166577.db2.gz WKBBVJFPBJSRDQ-AWEZNQCLSA-N 0 3 353.375 0.919 20 5 FCBDHN COc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000566455362 491445020 /nfs/dbraw/zinc/44/50/20/491445020.db2.gz MQLOYSRLYIWYMQ-INIZCTEOSA-N 0 3 353.350 0.929 20 5 FCBDHN O=C(COC1CNC1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000567824089 491532600 /nfs/dbraw/zinc/53/26/00/491532600.db2.gz AGMPBPSXAKVOLV-UHFFFAOYSA-N 0 3 374.401 0.498 20 5 FCBDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000560686599 491552435 /nfs/dbraw/zinc/55/24/35/491552435.db2.gz VWUONHKYSHPZLD-UHFFFAOYSA-N 0 3 365.434 0.794 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577107449 491591312 /nfs/dbraw/zinc/59/13/12/491591312.db2.gz MPIHINUHBZVSGK-ZDUSSCGKSA-N 0 3 360.374 0.888 20 5 FCBDHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000569121071 491635725 /nfs/dbraw/zinc/63/57/25/491635725.db2.gz BBGXNVYTFYEFOB-NEPJUHHUSA-N 0 3 363.374 0.057 20 5 FCBDHN Cc1cc(OCC(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000578520832 491679117 /nfs/dbraw/zinc/67/91/17/491679117.db2.gz FABFUPDZPJYEKO-GFCCVEGCSA-N 0 3 352.391 0.465 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000579113018 491691274 /nfs/dbraw/zinc/69/12/74/491691274.db2.gz BPBWZSOXUDFYGL-JSGCOSHPSA-N 0 3 358.416 0.749 20 5 FCBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580829162 491747407 /nfs/dbraw/zinc/74/74/07/491747407.db2.gz AOQWMWYSGDJOKA-NWDGAFQWSA-N 0 3 361.420 0.252 20 5 FCBDHN Cc1nn(CCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860618 491750535 /nfs/dbraw/zinc/75/05/35/491750535.db2.gz KEUQZSKKXPBJNC-KBPBESRZSA-N 0 3 351.407 0.466 20 5 FCBDHN COC(=O)C[C@@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000589162439 491756788 /nfs/dbraw/zinc/75/67/88/491756788.db2.gz UKQWBDFDXVJSRD-GDBMZVCRSA-N 0 3 363.374 0.615 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590371950 491774399 /nfs/dbraw/zinc/77/43/99/491774399.db2.gz RIDDKXQFYBRARO-CYBMUJFWSA-N 0 3 359.386 0.967 20 5 FCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000591686205 491818739 /nfs/dbraw/zinc/81/87/39/491818739.db2.gz SHCFKTWMJZVMGF-RYUDHWBXSA-N 0 3 352.366 0.861 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591728533 491822905 /nfs/dbraw/zinc/82/29/05/491822905.db2.gz SMWUUPJHKDQHAZ-OLZOCXBDSA-N 0 3 373.431 0.348 20 5 FCBDHN C[C@@H](N)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 ZINC000592306611 491835494 /nfs/dbraw/zinc/83/54/94/491835494.db2.gz CTNPUMCKYJSZMP-NOZJJQNGSA-N 0 3 357.388 0.187 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875261 491869265 /nfs/dbraw/zinc/86/92/65/491869265.db2.gz GYOIVJTXTKLKOC-KBPBESRZSA-N 0 3 361.402 0.476 20 5 FCBDHN CCN1CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000596073345 491974883 /nfs/dbraw/zinc/97/48/83/491974883.db2.gz KDIIEHBXYKVRQY-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCC(O)CC1 ZINC000596088828 491975129 /nfs/dbraw/zinc/97/51/29/491975129.db2.gz STYWWDHANOXKBL-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596167933 491978416 /nfs/dbraw/zinc/97/84/16/491978416.db2.gz IYOHRDVQEBJOPE-HNNXBMFYSA-N 0 3 361.402 0.437 20 5 FCBDHN CN1CCN(CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603631514 492039610 /nfs/dbraw/zinc/03/96/10/492039610.db2.gz JXBJLAPFLOCXKO-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN COCC(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000603681932 492039967 /nfs/dbraw/zinc/03/99/67/492039967.db2.gz OOBIQXIPDSLTEQ-OAHLLOKOSA-N 0 3 367.402 0.562 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000597693282 492060077 /nfs/dbraw/zinc/06/00/77/492060077.db2.gz UVOWFBNHTKBNTD-AAEUAGOBSA-N 0 3 366.422 0.625 20 5 FCBDHN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000604436829 492061159 /nfs/dbraw/zinc/06/11/59/492061159.db2.gz ZJQQJECJJMQWFL-UHFFFAOYSA-N 0 3 370.431 0.475 20 5 FCBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920793 492064426 /nfs/dbraw/zinc/06/44/26/492064426.db2.gz QWKHLCXAIIOUJD-HNNXBMFYSA-N 0 3 353.419 0.723 20 5 FCBDHN COC(=O)c1ccnc(NCCCN2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000598592638 492106119 /nfs/dbraw/zinc/10/61/19/492106119.db2.gz KSVHZWQDSUJUOV-LLVKDONJSA-N 0 3 365.390 0.776 20 5 FCBDHN COc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000598865606 492120077 /nfs/dbraw/zinc/12/00/77/492120077.db2.gz DBFBPKMAQTUHQR-UHFFFAOYSA-N 0 3 370.381 0.835 20 5 FCBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCN1CC[C@@H](O)C1 ZINC000599175992 492139603 /nfs/dbraw/zinc/13/96/03/492139603.db2.gz MVHIMFISWVQNJV-OAHLLOKOSA-N 0 3 350.419 0.906 20 5 FCBDHN Cc1nn(C)c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000609170538 492199694 /nfs/dbraw/zinc/19/96/94/492199694.db2.gz RMGGJYFWKLXGGS-LBPRGKRZSA-N 0 3 366.422 0.309 20 5 FCBDHN COCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611184973 492280922 /nfs/dbraw/zinc/28/09/22/492280922.db2.gz NELLUFBEGDDRML-UHFFFAOYSA-N 0 3 352.391 0.231 20 5 FCBDHN CC1(C)[NH2+]CC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423741791 534983648 /nfs/dbraw/zinc/98/36/48/534983648.db2.gz TWJHIWITHCZFLV-LBPRGKRZSA-N 0 3 356.404 0.130 20 5 FCBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419959388 535304624 /nfs/dbraw/zinc/30/46/24/535304624.db2.gz QXOGFUIBFBJRGJ-GFCCVEGCSA-N 0 3 364.402 0.674 20 5 FCBDHN COC[C@H]1C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593067038 546926326 /nfs/dbraw/zinc/92/63/26/546926326.db2.gz RXZZVQIVEZAKHX-CHWSQXEVSA-N 0 3 351.359 0.974 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000592489970 546951498 /nfs/dbraw/zinc/95/14/98/546951498.db2.gz XWXSHWKEXUVBDJ-AWEZNQCLSA-N 0 3 353.375 0.819 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000594733208 547003794 /nfs/dbraw/zinc/00/37/94/547003794.db2.gz RSUUQHSPQBUFEJ-CYBMUJFWSA-N 0 3 360.436 0.489 20 5 FCBDHN C[C@@H](CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000594815877 547013064 /nfs/dbraw/zinc/01/30/64/547013064.db2.gz CFWNBXVQLRYSKK-JTQLQIEISA-N 0 3 359.404 0.985 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@]2(O)CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000552205887 547324610 /nfs/dbraw/zinc/32/46/10/547324610.db2.gz CYCGROWAJUHFPW-INIZCTEOSA-N 0 3 351.407 0.371 20 5 FCBDHN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552308256 547325427 /nfs/dbraw/zinc/32/54/27/547325427.db2.gz NAZGOMGQKGHPDZ-GFCCVEGCSA-N 0 3 351.407 0.579 20 5 FCBDHN CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821564148 606098366 /nfs/dbraw/zinc/09/83/66/606098366.db2.gz VIBXCJJYPOZYDK-UHFFFAOYSA-N 0 3 362.379 0.434 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797682 668732253 /nfs/dbraw/zinc/73/22/53/668732253.db2.gz CALKYNXLBNXZGN-GHMZBOCLSA-N 0 3 356.404 0.517 20 5 FCBDHN Cn1ncc(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819330860 668997988 /nfs/dbraw/zinc/99/79/88/668997988.db2.gz GKOFUBTXMYARPD-UHFFFAOYSA-N 0 3 353.404 0.719 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825888278 669473080 /nfs/dbraw/zinc/47/30/80/669473080.db2.gz WAUGCJOJFHEAQV-BBRMVZONSA-N 0 3 350.419 0.770 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813113982 669828281 /nfs/dbraw/zinc/82/82/81/669828281.db2.gz KOPMPIGTGODQEQ-YPMHNXCESA-N 0 3 372.399 0.966 20 5 FCBDHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113993 669828427 /nfs/dbraw/zinc/82/84/27/669828427.db2.gz XKWGBJLNHQHLKW-SNVBAGLBSA-N 0 3 358.372 0.766 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000728569122 1179098489 /nfs/dbraw/zinc/09/84/89/1179098489.db2.gz LRGWOPHJPQCKQU-UHFFFAOYSA-N 0 3 358.402 0.987 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000980067053 1186172293 /nfs/dbraw/zinc/17/22/93/1186172293.db2.gz IMMRQMBMGYSCOH-PZTHBURQSA-N 0 3 357.370 0.624 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084601 1198144058 /nfs/dbraw/zinc/14/40/58/1198144058.db2.gz XGKNHRRHOQXKAL-DLTLXFJOSA-N 0 3 370.413 0.917 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808161085 1202875047 /nfs/dbraw/zinc/87/50/47/1202875047.db2.gz QHNYQMZBTZXIPC-AHIWAGSCSA-N 0 3 374.397 0.755 20 5 FCBDHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813101580 1202990127 /nfs/dbraw/zinc/99/01/27/1202990127.db2.gz DPEPMKVMZTUFLI-QLJPJBMISA-N 0 3 365.342 0.671 20 5 FCBDHN Cc1ccc(N2CC[C@@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000819102565 1203149864 /nfs/dbraw/zinc/14/98/64/1203149864.db2.gz LOJZDANYMMPYPX-HZPDHXFCSA-N 0 3 359.386 0.856 20 5 FCBDHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846959966 1204675357 /nfs/dbraw/zinc/67/53/57/1204675357.db2.gz SQABYYMGQCXXKZ-HZPDHXFCSA-N 0 3 362.430 0.992 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@H]3CO2)ncnc1N1CCOCC1 ZINC000856726430 1209726932 /nfs/dbraw/zinc/72/69/32/1209726932.db2.gz GJVDETOUCOJVIV-STQMWFEESA-N 0 3 364.406 0.497 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)ncnc1N1CCOCC1 ZINC000856726427 1209727081 /nfs/dbraw/zinc/72/70/81/1209727081.db2.gz GJVDETOUCOJVIV-CHWSQXEVSA-N 0 3 364.406 0.497 20 5 FCBDHN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000954780873 1213110618 /nfs/dbraw/zinc/11/06/18/1213110618.db2.gz DHTZLXGBFPWSQW-TZMCWYRMSA-N 0 3 357.370 0.819 20 5 FCBDHN Cc1nccn1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001013999937 1213916846 /nfs/dbraw/zinc/91/68/46/1213916846.db2.gz BRRGIDLLHHZGQM-FZOOGMQUSA-N 0 3 361.402 0.400 20 5 FCBDHN O=C(c1cccc2c[nH]nc21)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019244296 1214222848 /nfs/dbraw/zinc/22/28/48/1214222848.db2.gz BELFQPFUNBWLCF-ZIAGYGMSSA-N 0 3 369.381 0.903 20 5 FCBDHN CN(Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC000963869575 1214865392 /nfs/dbraw/zinc/86/53/92/1214865392.db2.gz IOCWSLHXDPWNTQ-UKRRQHHQSA-N 0 3 357.370 0.963 20 5 FCBDHN CC(C)n1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530695 1221311420 /nfs/dbraw/zinc/31/14/20/1221311420.db2.gz LYIYMPQGUOGZGZ-CHWSQXEVSA-N 0 3 365.438 0.828 20 5 FCBDHN CCc1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n1C ZINC001115530925 1221311458 /nfs/dbraw/zinc/31/14/58/1221311458.db2.gz ZDAYFDXXVSRFIR-CHWSQXEVSA-N 0 3 364.450 0.951 20 5 FCBDHN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157012877 1223065627 /nfs/dbraw/zinc/06/56/27/1223065627.db2.gz OPGOFKLCROPHOS-CQSZACIVSA-N 0 3 372.385 0.438 20 5 FCBDHN COc1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001157970863 1223084949 /nfs/dbraw/zinc/08/49/49/1223084949.db2.gz AAVOSALTXVYLJY-UHFFFAOYSA-N 0 3 364.402 0.935 20 5 FCBDHN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnn(-c2ccncc2)c1 ZINC001003890977 1253133452 /nfs/dbraw/zinc/13/34/52/1253133452.db2.gz UAKKZXUBURWUTC-HUUCEWRRSA-N 0 3 370.369 0.121 20 5 FCBDHN Cc1nccn1CCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063643037 1254366070 /nfs/dbraw/zinc/36/60/70/1254366070.db2.gz AVWVVZUVMCHTFF-ZIAGYGMSSA-N 0 3 363.418 0.792 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCCn2ccnc2C)C1 ZINC001079744270 1255591975 /nfs/dbraw/zinc/59/19/75/1255591975.db2.gz ZINRDXFMHJSKFB-HUUCEWRRSA-N 0 3 363.418 0.696 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC001322521162 1264210838 /nfs/dbraw/zinc/21/08/38/1264210838.db2.gz PDWMKXFJFZXKSK-ZDUSSCGKSA-N 0 3 366.422 0.144 20 5 FCBDHN COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)CC1 ZINC001523587809 1266643626 /nfs/dbraw/zinc/64/36/26/1266643626.db2.gz YGDPMDQVTFCPOO-CYBMUJFWSA-N 0 3 368.438 0.563 20 5 FCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001340876269 1268690298 /nfs/dbraw/zinc/69/02/98/1268690298.db2.gz XVOOCIFKKYRNLG-INIZCTEOSA-N 0 3 360.414 0.950 20 5 FCBDHN CC[N@H+](C)CCC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590678832 1283730800 /nfs/dbraw/zinc/73/08/00/1283730800.db2.gz ORIOUYPQYWEQFD-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@@H+](C)CCC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590678832 1283730814 /nfs/dbraw/zinc/73/08/14/1283730814.db2.gz ORIOUYPQYWEQFD-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@H+](C)CCC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590678832 1283730826 /nfs/dbraw/zinc/73/08/26/1283730826.db2.gz ORIOUYPQYWEQFD-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@@H+](C)CCC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590678832 1283730836 /nfs/dbraw/zinc/73/08/36/1283730836.db2.gz ORIOUYPQYWEQFD-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC001592757504 1285680216 /nfs/dbraw/zinc/68/02/16/1285680216.db2.gz KSLBOSHKHRRNFU-UWVGGRQHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC001592757504 1285680217 /nfs/dbraw/zinc/68/02/17/1285680217.db2.gz KSLBOSHKHRRNFU-UWVGGRQHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC001592757504 1285680220 /nfs/dbraw/zinc/68/02/20/1285680220.db2.gz KSLBOSHKHRRNFU-UWVGGRQHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC001592757504 1285680224 /nfs/dbraw/zinc/68/02/24/1285680224.db2.gz KSLBOSHKHRRNFU-UWVGGRQHSA-N 0 3 360.378 0.632 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593466455 1286170474 /nfs/dbraw/zinc/17/04/74/1286170474.db2.gz CNFMWDFCCGMLPH-HNNXBMFYSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466455 1286170478 /nfs/dbraw/zinc/17/04/78/1286170478.db2.gz CNFMWDFCCGMLPH-HNNXBMFYSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593466455 1286170482 /nfs/dbraw/zinc/17/04/82/1286170482.db2.gz CNFMWDFCCGMLPH-HNNXBMFYSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466455 1286170485 /nfs/dbraw/zinc/17/04/85/1286170485.db2.gz CNFMWDFCCGMLPH-HNNXBMFYSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2nnn[n-]2)c1 ZINC001593485958 1286173760 /nfs/dbraw/zinc/17/37/60/1286173760.db2.gz IEBUEAXOTAVPFP-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2nnn[n-]2)c1 ZINC001593485958 1286173763 /nfs/dbraw/zinc/17/37/63/1286173763.db2.gz IEBUEAXOTAVPFP-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2nn[n-]n2)c1 ZINC001593485958 1286173769 /nfs/dbraw/zinc/17/37/69/1286173769.db2.gz IEBUEAXOTAVPFP-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2nn[n-]n2)c1 ZINC001593485958 1286173773 /nfs/dbraw/zinc/17/37/73/1286173773.db2.gz IEBUEAXOTAVPFP-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001593481232 1286174527 /nfs/dbraw/zinc/17/45/27/1286174527.db2.gz PPDJVSZPLSKTCM-CHWSQXEVSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481232 1286174531 /nfs/dbraw/zinc/17/45/31/1286174531.db2.gz PPDJVSZPLSKTCM-CHWSQXEVSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001593481232 1286174534 /nfs/dbraw/zinc/17/45/34/1286174534.db2.gz PPDJVSZPLSKTCM-CHWSQXEVSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481232 1286174536 /nfs/dbraw/zinc/17/45/36/1286174536.db2.gz PPDJVSZPLSKTCM-CHWSQXEVSA-N 0 3 359.390 0.810 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001600304805 1286475546 /nfs/dbraw/zinc/47/55/46/1286475546.db2.gz MZVMGXHUOKNCFP-AWEZNQCLSA-N 0 3 350.375 0.980 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001600304805 1286475548 /nfs/dbraw/zinc/47/55/48/1286475548.db2.gz MZVMGXHUOKNCFP-AWEZNQCLSA-N 0 3 350.375 0.980 20 5 FCBDHN O=C(NC1(CO)CCN(Cc2ccccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001755177110 1290640411 /nfs/dbraw/zinc/64/04/11/1290640411.db2.gz FCICEIRLQUOHOI-UKRRQHHQSA-N 0 3 351.378 0.934 20 5 FCBDHN O=C(Cc1n[nH]c2c1CCCC2)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689326391 1294751441 /nfs/dbraw/zinc/75/14/41/1294751441.db2.gz PQPCQFQDUKJDCU-YUOQAEMBSA-N 0 3 361.402 0.285 20 5 FCBDHN CC(C)(C)n1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001086363256 842127302 /nfs/dbraw/zinc/12/73/02/842127302.db2.gz KBELJBNIGBTAAV-HBJVGIJOSA-N 0 3 350.423 0.683 20 5 FCBDHN CC(C)(C)n1ncnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363378 842127562 /nfs/dbraw/zinc/12/75/62/842127562.db2.gz QOLAOQSQUSEEOM-FDYHWXHSSA-N 0 3 350.423 0.683 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001118260521 847351495 /nfs/dbraw/zinc/35/14/95/847351495.db2.gz BVCPNPYUMWFNHY-AWEZNQCLSA-N 0 3 350.375 0.760 20 5 FCBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)CC1 ZINC001121758339 848388916 /nfs/dbraw/zinc/38/89/16/848388916.db2.gz NCOHWMDTQKCNCH-UHFFFAOYSA-N 0 3 352.439 0.808 20 5 FCBDHN COC(=O)CNC(=O)[C@H](C)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170321891 850651310 /nfs/dbraw/zinc/65/13/10/850651310.db2.gz DOIGHBJBVGECCL-MNOVXSKESA-N 0 3 353.375 0.802 20 5 FCBDHN CC(C)(C)CNC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114458 856897771 /nfs/dbraw/zinc/89/77/71/856897771.db2.gz LXGVBNSUDPPKCP-ZIAGYGMSSA-N 0 3 354.451 0.642 20 5 FCBDHN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[C@H]1N1CCN(C)CC1 ZINC001253921991 857928073 /nfs/dbraw/zinc/92/80/73/857928073.db2.gz BOAMMMHHPCPKRM-QWHCGFSZSA-N 0 3 350.423 0.426 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC001343482134 870449872 /nfs/dbraw/zinc/44/98/72/870449872.db2.gz XPCPHFMLSPQHCE-KGLIPLIRSA-N 0 3 350.379 0.321 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCCC1 ZINC000293528972 214181896 /nfs/dbraw/zinc/18/18/96/214181896.db2.gz DTJOMPXBGANGHA-AWEZNQCLSA-N 0 3 364.402 0.288 20 5 FCBDHN Cc1cc(F)c(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000297187388 214384940 /nfs/dbraw/zinc/38/49/40/214384940.db2.gz ALKYPNRVVQRHFT-NSHDSACASA-N 0 3 368.365 0.770 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(CC)CCO ZINC000291323690 214027211 /nfs/dbraw/zinc/02/72/11/214027211.db2.gz OZMIOHDGJPLPBE-UHFFFAOYSA-N 0 3 352.391 0.526 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264935853 210018891 /nfs/dbraw/zinc/01/88/91/210018891.db2.gz UKWVFUFNIYADJP-CQSZACIVSA-N 0 3 365.434 0.146 20 5 FCBDHN CN1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285760914 213391613 /nfs/dbraw/zinc/39/16/13/213391613.db2.gz LZGIYYOMNCURNF-LSDHHAIUSA-N 0 3 362.386 0.256 20 5 FCBDHN CN1CCN(C(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000366996067 216061681 /nfs/dbraw/zinc/06/16/81/216061681.db2.gz MXLZGPKGNYWUME-UHFFFAOYSA-N 0 3 350.423 0.592 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000367205244 216090554 /nfs/dbraw/zinc/09/05/54/216090554.db2.gz HPVNXKPIRHVTAO-NEPJUHHUSA-N 0 3 352.313 0.932 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143244 216353312 /nfs/dbraw/zinc/35/33/12/216353312.db2.gz JKHFBJFKMJVBQZ-GFCCVEGCSA-N 0 3 364.406 0.435 20 5 FCBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258476 216372513 /nfs/dbraw/zinc/37/25/13/216372513.db2.gz WDQCJRIDPVLELM-LLVKDONJSA-N 0 3 350.423 0.779 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189122482 209247589 /nfs/dbraw/zinc/24/75/89/209247589.db2.gz FPOJYMGTTVENRS-UHFFFAOYSA-N 0 3 370.475 0.694 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188424995 209230067 /nfs/dbraw/zinc/23/00/67/209230067.db2.gz QUBAWHVDBFHDQH-OAHLLOKOSA-N 0 3 361.402 0.556 20 5 FCBDHN C[C@@H](CO)N1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500308 217275446 /nfs/dbraw/zinc/27/54/46/217275446.db2.gz XPQPULHYMVMNDQ-GOEBONIOSA-N 0 3 353.419 0.723 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000375819099 217320225 /nfs/dbraw/zinc/32/02/25/217320225.db2.gz XUNNSWWISYBCGV-NJAFHUGGSA-N 0 3 365.430 0.866 20 5 FCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423504557 247040160 /nfs/dbraw/zinc/04/01/60/247040160.db2.gz NMKZONVDHZAURU-WDEREUQCSA-N 0 3 356.404 0.082 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424383027 247202871 /nfs/dbraw/zinc/20/28/71/247202871.db2.gz AGVCHSYTZADVHX-UONOGXRCSA-N 0 3 365.415 0.752 20 5 FCBDHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440505554 248191824 /nfs/dbraw/zinc/19/18/24/248191824.db2.gz YYPKNUOVNFOLMY-GFCCVEGCSA-N 0 3 365.390 0.498 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440517848 248194243 /nfs/dbraw/zinc/19/42/43/248194243.db2.gz UBEPREZTAHEEAS-GOSISDBHSA-N 0 3 373.413 0.935 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000453028125 249343761 /nfs/dbraw/zinc/34/37/61/249343761.db2.gz GZBROJFMZDWDFY-GXTWGEPZSA-N 0 3 362.386 0.496 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000453804493 249369892 /nfs/dbraw/zinc/36/98/92/249369892.db2.gz HTRJEHZONIMEQY-ZDUSSCGKSA-N 0 3 368.365 0.635 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271951930 211486025 /nfs/dbraw/zinc/48/60/25/211486025.db2.gz RHTOCFFQZVIBCX-KRWDZBQOSA-N 0 3 366.418 0.474 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270852876 211283655 /nfs/dbraw/zinc/28/36/55/211283655.db2.gz XXWUVIPYOVRWIJ-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701346 250000649 /nfs/dbraw/zinc/00/06/49/250000649.db2.gz MYICHVJVPWMXGR-ONGXEEELSA-N 0 3 370.431 0.763 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472641479 250170058 /nfs/dbraw/zinc/17/00/58/250170058.db2.gz KAJMMIDGIWFYFB-UHFFFAOYSA-N 0 3 368.365 0.635 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000473200546 250207705 /nfs/dbraw/zinc/20/77/05/250207705.db2.gz KKYPDPGRWVOCDG-LBPRGKRZSA-N 0 3 372.447 0.660 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915397 533004127 /nfs/dbraw/zinc/00/41/27/533004127.db2.gz LLLUTFHJTWWJMY-CYBMUJFWSA-N 0 3 364.402 0.960 20 5 FCBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266531446 210352241 /nfs/dbraw/zinc/35/22/41/210352241.db2.gz MDHFAVPKORASIG-TZMCWYRMSA-N 0 3 369.422 0.999 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178477151 209049944 /nfs/dbraw/zinc/04/99/44/209049944.db2.gz VXMPKRGPMJQJPK-WBVHZDCISA-N 0 3 365.430 0.989 20 5 FCBDHN C[C@H](CN1CCOCC1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279713256 488963907 /nfs/dbraw/zinc/96/39/07/488963907.db2.gz KROMTCXRSDGXQD-HUUCEWRRSA-N 0 3 353.419 0.987 20 5 FCBDHN C[S@](=O)C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000245882080 488466965 /nfs/dbraw/zinc/46/69/65/488466965.db2.gz NTKAQEZQBMRBRX-IYPVNNRCSA-N 0 3 352.416 0.862 20 5 FCBDHN CCc1nn(C)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000091671106 488467799 /nfs/dbraw/zinc/46/77/99/488467799.db2.gz CXPQENORYJDRNN-ZDUSSCGKSA-N 0 3 350.423 0.809 20 5 FCBDHN CCc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000091743251 488469233 /nfs/dbraw/zinc/46/92/33/488469233.db2.gz UKNICDCSGFLTPU-CYBMUJFWSA-N 0 3 350.423 0.634 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000248464903 488497649 /nfs/dbraw/zinc/49/76/49/488497649.db2.gz RIDGFXQFRPWHSV-JKSUJKDBSA-N 0 3 365.430 0.989 20 5 FCBDHN CCN1CCN(CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488372 488497700 /nfs/dbraw/zinc/49/77/00/488497700.db2.gz ZRAYNCDQIJZNEJ-UHFFFAOYSA-N 0 3 352.439 0.670 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000102489021 488497779 /nfs/dbraw/zinc/49/77/79/488497779.db2.gz IERNAEIEPGJFSP-ZDUSSCGKSA-N 0 3 366.466 0.798 20 5 FCBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000271599373 488529861 /nfs/dbraw/zinc/52/98/61/488529861.db2.gz HYILIAJWOMQRQF-STQMWFEESA-N 0 3 360.461 0.724 20 5 FCBDHN CC(C)(N)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000262107741 488550975 /nfs/dbraw/zinc/55/09/75/488550975.db2.gz GIDLBSWFJFNFPE-UHFFFAOYSA-N 0 3 370.431 0.384 20 5 FCBDHN CN1CCN(CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000117639602 488551678 /nfs/dbraw/zinc/55/16/78/488551678.db2.gz CFPZNAKEJWIMTJ-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN [NH3+][C@H]1CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262264146 488559946 /nfs/dbraw/zinc/55/99/46/488559946.db2.gz GXHQQWNGOQXNTK-RYUDHWBXSA-N 0 3 370.431 0.507 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000262406198 488568888 /nfs/dbraw/zinc/56/88/88/488568888.db2.gz BOQZSEWNDNPBQE-UHFFFAOYSA-N 0 3 370.431 0.473 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)C2(N)CCCC2)c([N+](=O)[O-])c1 ZINC000262454282 488571285 /nfs/dbraw/zinc/57/12/85/488571285.db2.gz SPZXOXRUCCEDCR-UHFFFAOYSA-N 0 3 370.431 0.798 20 5 FCBDHN [NH3+]C1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000262481349 488572890 /nfs/dbraw/zinc/57/28/90/488572890.db2.gz RXEVHSHCQJIYTO-UHFFFAOYSA-N 0 3 370.431 0.651 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272630912 488593382 /nfs/dbraw/zinc/59/33/82/488593382.db2.gz AJWQHMJHGIOUSL-ZDUSSCGKSA-N 0 3 362.390 0.760 20 5 FCBDHN C[C@@H]1NCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262889469 488598318 /nfs/dbraw/zinc/59/83/18/488598318.db2.gz WUZCQAQLXWVKEY-RYUDHWBXSA-N 0 3 370.431 0.424 20 5 FCBDHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130617475 488639225 /nfs/dbraw/zinc/63/92/25/488639225.db2.gz CFUDVJFBJVGONI-UHFFFAOYSA-N 0 3 351.407 0.485 20 5 FCBDHN CCCNC(=O)C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000132318127 488652675 /nfs/dbraw/zinc/65/26/75/488652675.db2.gz BFFZPTQUBLRCLF-CQSZACIVSA-N 0 3 353.423 0.971 20 5 FCBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(CO)CO ZINC000135859988 488675071 /nfs/dbraw/zinc/67/50/71/488675071.db2.gz ZYDDTOYXHYWUBR-UHFFFAOYSA-N 0 3 353.375 0.816 20 5 FCBDHN NC(=O)[C@H]1CCCN1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264459655 488676343 /nfs/dbraw/zinc/67/63/43/488676343.db2.gz DVTGNQIDMBFTOU-CYBMUJFWSA-N 0 3 360.374 0.541 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCN(C2CC2)C1 ZINC000143998676 488691701 /nfs/dbraw/zinc/69/17/01/488691701.db2.gz PTIUCUKXHUFPCT-NSHDSACASA-N 0 3 360.370 0.673 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000274613215 488723611 /nfs/dbraw/zinc/72/36/11/488723611.db2.gz XNBKDCMPFWZAQY-UHFFFAOYSA-N 0 3 364.402 0.886 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000266779867 488729273 /nfs/dbraw/zinc/72/92/73/488729273.db2.gz AMCKZFOHHHYULA-ZDUSSCGKSA-N 0 3 364.402 0.630 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(C3CCOCC3)CC2)c1 ZINC000266999825 488751734 /nfs/dbraw/zinc/75/17/34/488751734.db2.gz CLKMYKPYEAQPGN-UHFFFAOYSA-N 0 3 370.431 0.543 20 5 FCBDHN CN(CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288613206 488997627 /nfs/dbraw/zinc/99/76/27/488997627.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 0 3 362.427 0.896 20 5 FCBDHN CN(C)CC[N@H+](C)CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288613206 488997628 /nfs/dbraw/zinc/99/76/28/488997628.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 0 3 362.427 0.896 20 5 FCBDHN CN(C)CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288613206 488997629 /nfs/dbraw/zinc/99/76/29/488997629.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 0 3 362.427 0.896 20 5 FCBDHN COCCN(C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000364988667 489027462 /nfs/dbraw/zinc/02/74/62/489027462.db2.gz YEBHKPQMWKDSKP-UHFFFAOYSA-N 0 3 352.391 0.946 20 5 FCBDHN CN(C)CC1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCC1 ZINC000280999674 489046352 /nfs/dbraw/zinc/04/63/52/489046352.db2.gz DCWRPPMKXIDAMV-UHFFFAOYSA-N 0 3 360.370 0.791 20 5 FCBDHN CN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281136697 489056263 /nfs/dbraw/zinc/05/62/63/489056263.db2.gz JMXNVECTGSXTQW-UHFFFAOYSA-N 0 3 356.404 0.037 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(CC)CCO ZINC000281338914 489068416 /nfs/dbraw/zinc/06/84/16/489068416.db2.gz CPKDHVLBCZSONF-UHFFFAOYSA-N 0 3 368.390 0.362 20 5 FCBDHN CCOC(=O)[C@]1(COC)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501725 489080686 /nfs/dbraw/zinc/08/06/86/489080686.db2.gz UJNCLHOBSBPOGK-GDBMZVCRSA-N 0 3 370.406 0.444 20 5 FCBDHN CN1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330402052 489098305 /nfs/dbraw/zinc/09/83/05/489098305.db2.gz FVDMZIRCLXYOND-UHFFFAOYSA-N 0 3 352.439 0.669 20 5 FCBDHN CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290013260 489108422 /nfs/dbraw/zinc/10/84/22/489108422.db2.gz QMBOWLRVNIJLNN-NWDGAFQWSA-N 0 3 370.431 0.377 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281832080 489109751 /nfs/dbraw/zinc/10/97/51/489109751.db2.gz SEWKIMICJLBMST-UHFFFAOYSA-N 0 3 352.439 0.632 20 5 FCBDHN CNS(=O)(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370829445 489408294 /nfs/dbraw/zinc/40/82/94/489408294.db2.gz GNRNYNDUDBUIMT-UHFFFAOYSA-N 0 3 370.431 0.937 20 5 FCBDHN CN1CCC[C@@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299238137 489422550 /nfs/dbraw/zinc/42/25/50/489422550.db2.gz AOIVMBGNRJIJIV-LLVKDONJSA-N 0 3 352.416 0.996 20 5 FCBDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414233183 489494876 /nfs/dbraw/zinc/49/48/76/489494876.db2.gz XLVAAMFKCCNHTB-LLVKDONJSA-N 0 3 372.399 0.966 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000456176697 489608981 /nfs/dbraw/zinc/60/89/81/489608981.db2.gz YPMKXKPNEBZBST-MFKMUULPSA-N 0 3 358.354 0.353 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1CCN(CCO)CC1 ZINC000474263009 489749877 /nfs/dbraw/zinc/74/98/77/489749877.db2.gz FEIWWEJAEUBCTF-UHFFFAOYSA-N 0 3 364.402 0.145 20 5 FCBDHN CN(CCN(C)C1CC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000474560003 489769088 /nfs/dbraw/zinc/76/90/88/489769088.db2.gz REDYYNQOWRFPMZ-UHFFFAOYSA-N 0 3 363.418 0.947 20 5 FCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000490632850 489778449 /nfs/dbraw/zinc/77/84/49/489778449.db2.gz YZXDUVTXBHBTMY-DOTOQJQBSA-N 0 3 363.462 0.714 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000418949640 489801330 /nfs/dbraw/zinc/80/13/30/489801330.db2.gz RTMSPTQQSGAPRY-AWEZNQCLSA-N 0 3 364.402 0.853 20 5 FCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C1CCN(C)CC1 ZINC000476665852 489907918 /nfs/dbraw/zinc/90/79/18/489907918.db2.gz TVQBDMHMZPAGHG-GFCCVEGCSA-N 0 3 350.423 0.569 20 5 FCBDHN CCCC[C@H](CN)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420136336 489926015 /nfs/dbraw/zinc/92/60/15/489926015.db2.gz CUAJSAOMMDBBOF-GFCCVEGCSA-N 0 3 364.402 0.818 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000571179578 491290548 /nfs/dbraw/zinc/29/05/48/491290548.db2.gz SRTBTGRIIVCBSO-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CNCCN2C)c([N+](=O)[O-])c1 ZINC000420263316 489958778 /nfs/dbraw/zinc/95/87/78/489958778.db2.gz BVHMHEBQKBKBMZ-CYBMUJFWSA-N 0 3 358.402 0.875 20 5 FCBDHN COc1ccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000420443943 489977613 /nfs/dbraw/zinc/97/76/13/489977613.db2.gz LNXLFKWGPHMUSL-LLVKDONJSA-N 0 3 351.331 0.879 20 5 FCBDHN CCn1cc(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000420477622 489983656 /nfs/dbraw/zinc/98/36/56/489983656.db2.gz UDSXVJXHBPGOON-LLVKDONJSA-N 0 3 351.388 0.890 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604055 490001537 /nfs/dbraw/zinc/00/15/37/490001537.db2.gz QVYUBPVIBJPNGB-CQSZACIVSA-N 0 3 361.402 0.437 20 5 FCBDHN COc1ccc(OCCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227171 491295335 /nfs/dbraw/zinc/29/53/35/491295335.db2.gz KOFCUDYUKUCGKP-YPMHNXCESA-N 0 3 350.375 0.226 20 5 FCBDHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000445547523 490137918 /nfs/dbraw/zinc/13/79/18/490137918.db2.gz HIGHXFBFCUCDFL-UWVGGRQHSA-N 0 3 357.388 0.914 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000533175488 490189719 /nfs/dbraw/zinc/18/97/19/490189719.db2.gz ZQGVCACEAQOUKG-LBPRGKRZSA-N 0 3 357.436 0.918 20 5 FCBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466935969 490230706 /nfs/dbraw/zinc/23/07/06/490230706.db2.gz MNKZDWMCKDJQMA-NSHDSACASA-N 0 3 365.390 0.935 20 5 FCBDHN CC1CC[NH+](C[C@H](O)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000533553473 490255748 /nfs/dbraw/zinc/25/57/48/490255748.db2.gz RMJADSZCZYOXSP-GFCCVEGCSA-N 0 3 358.420 0.361 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])n1 ZINC000533633559 490270119 /nfs/dbraw/zinc/27/01/19/490270119.db2.gz YSSQHFQDMZVTBT-NWDGAFQWSA-N 0 3 357.436 0.916 20 5 FCBDHN CN(C)CCOC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000498329034 490284614 /nfs/dbraw/zinc/28/46/14/490284614.db2.gz GLSXEFWDJGLTIG-UHFFFAOYSA-N 0 3 352.391 0.326 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449662941 490419679 /nfs/dbraw/zinc/41/96/79/490419679.db2.gz HUKKYPCGLSFTGR-VHSXEESVSA-N 0 3 360.365 0.941 20 5 FCBDHN CC(C)(CC[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422591789 490420009 /nfs/dbraw/zinc/42/00/09/490420009.db2.gz CTSJHMOACSOTDN-UHFFFAOYSA-N 0 3 373.435 0.300 20 5 FCBDHN Cc1nc2n(n1)C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000571796177 491329530 /nfs/dbraw/zinc/32/95/30/491329530.db2.gz GAXZPTFVAJPYFI-GFCCVEGCSA-N 0 3 365.415 0.873 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000485625008 490549347 /nfs/dbraw/zinc/54/93/47/490549347.db2.gz IKZIEUCUNVYJFU-AWEZNQCLSA-N 0 3 363.418 0.850 20 5 FCBDHN C[C@@H]1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000524775653 490558923 /nfs/dbraw/zinc/55/89/23/490558923.db2.gz LUAWSQGJQCLQHS-CYBMUJFWSA-N 0 3 363.418 0.852 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1csc([N+](=O)[O-])c1 ZINC000536176385 490559766 /nfs/dbraw/zinc/55/97/66/490559766.db2.gz HAGMRTJQNKVGFS-UHFFFAOYSA-N 0 3 356.448 0.776 20 5 FCBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000549075712 490562950 /nfs/dbraw/zinc/56/29/50/490562950.db2.gz JSVZGBHDMAWRAI-UHFFFAOYSA-N 0 3 355.395 0.523 20 5 FCBDHN CN1CCN(CC2(C)CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000549322625 490576042 /nfs/dbraw/zinc/57/60/42/490576042.db2.gz SZIQIRKURYJNDR-UHFFFAOYSA-N 0 3 350.423 0.808 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556849764 491341369 /nfs/dbraw/zinc/34/13/69/491341369.db2.gz AUCKERIJWQLIAG-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000572112643 491349215 /nfs/dbraw/zinc/34/92/15/491349215.db2.gz RSENXEMGXDKNFJ-KBPBESRZSA-N 0 3 367.402 0.562 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000515339350 490819637 /nfs/dbraw/zinc/81/96/37/490819637.db2.gz HPUIFACFDIJVFY-CHWSQXEVSA-N 0 3 359.386 0.553 20 5 FCBDHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516663486 490874097 /nfs/dbraw/zinc/87/40/97/490874097.db2.gz QLZQKANADGYBSI-NSHDSACASA-N 0 3 356.404 0.036 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000542079599 490884697 /nfs/dbraw/zinc/88/46/97/490884697.db2.gz LOXSATAPYWWGDB-LBPRGKRZSA-N 0 3 364.402 0.791 20 5 FCBDHN CCNC(=O)N1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000517925332 490924936 /nfs/dbraw/zinc/92/49/36/490924936.db2.gz DMDBJYUCDLESED-JSGCOSHPSA-N 0 3 352.391 0.728 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000543940178 490952397 /nfs/dbraw/zinc/95/23/97/490952397.db2.gz GNHNFGWFBFOADT-UHFFFAOYSA-N 0 3 352.391 0.327 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000531512054 490961901 /nfs/dbraw/zinc/96/19/01/490961901.db2.gz XYLCLNQUVIDYBS-UHFFFAOYSA-N 0 3 351.407 0.463 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000569716658 491184927 /nfs/dbraw/zinc/18/49/27/491184927.db2.gz RSXJFGOPWCUWAN-DLBZAZTESA-N 0 3 361.402 0.831 20 5 FCBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)NCCN(C)C ZINC000565433331 491376326 /nfs/dbraw/zinc/37/63/26/491376326.db2.gz QOUCGLRZQMTGJQ-LBPRGKRZSA-N 0 3 374.401 0.577 20 5 FCBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)NCCN(C)C ZINC000565433316 491376451 /nfs/dbraw/zinc/37/64/51/491376451.db2.gz QOUCGLRZQMTGJQ-GFCCVEGCSA-N 0 3 374.401 0.577 20 5 FCBDHN Cc1c(CNc2nc(NCCO)nc(NC(C)C)n2)cccc1[N+](=O)[O-] ZINC000557681744 491390881 /nfs/dbraw/zinc/39/08/81/491390881.db2.gz ANBPCVNLKAYQPO-UHFFFAOYSA-N 0 3 361.406 0.191 20 5 FCBDHN COc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000572821987 491395931 /nfs/dbraw/zinc/39/59/31/491395931.db2.gz VMAAXJRENNLMAV-GJZGRUSLSA-N 0 3 352.391 0.539 20 5 FCBDHN CN1CC[C@]2(CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000558034414 491410025 /nfs/dbraw/zinc/41/00/25/491410025.db2.gz XWPHQDGGDIINPD-SFHVURJKSA-N 0 3 374.397 0.874 20 5 FCBDHN N[C@@H]1C[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCN2C1=O ZINC000573387048 491430276 /nfs/dbraw/zinc/43/02/76/491430276.db2.gz YTMBGVLWHOZCCF-QWHCGFSZSA-N 0 3 358.358 0.389 20 5 FCBDHN C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000573696521 491449166 /nfs/dbraw/zinc/44/91/66/491449166.db2.gz LOPDNOZHOMGURW-GXTWGEPZSA-N 0 3 362.434 0.670 20 5 FCBDHN CN1CCN(C(=O)CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000574271670 491485187 /nfs/dbraw/zinc/48/51/87/491485187.db2.gz XHXQADJYBIFYNY-CQSZACIVSA-N 0 3 366.418 0.088 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)[C@H]2CCOC2)cc1 ZINC000567166720 491489937 /nfs/dbraw/zinc/48/99/37/491489937.db2.gz LJSWILDNBBARNE-QWHCGFSZSA-N 0 3 358.416 0.603 20 5 FCBDHN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NCCN(C)C ZINC000574788668 491520155 /nfs/dbraw/zinc/52/01/55/491520155.db2.gz DZQZFHQNWXVWJK-LLVKDONJSA-N 0 3 361.402 0.801 20 5 FCBDHN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NCCN(C)C ZINC000574788669 491520181 /nfs/dbraw/zinc/52/01/81/491520181.db2.gz DZQZFHQNWXVWJK-NSHDSACASA-N 0 3 361.402 0.801 20 5 FCBDHN CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000575309668 491548097 /nfs/dbraw/zinc/54/80/97/491548097.db2.gz SHQLDGBHVPCVCK-JTQLQIEISA-N 0 3 369.809 0.079 20 5 FCBDHN CS(=O)(=O)N1CCC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000568501619 491580900 /nfs/dbraw/zinc/58/09/00/491580900.db2.gz UDCBFVHUMXQPKE-LBPRGKRZSA-N 0 3 370.431 0.937 20 5 FCBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NCCN(C)C ZINC000568651288 491597081 /nfs/dbraw/zinc/59/70/81/491597081.db2.gz ACJFVNXKDXFLQW-VIFPVBQESA-N 0 3 374.344 0.992 20 5 FCBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000568783111 491609595 /nfs/dbraw/zinc/60/95/95/491609595.db2.gz MSLWVHRLOWGLMK-ONGXEEELSA-N 0 3 374.806 0.181 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000569011126 491627223 /nfs/dbraw/zinc/62/72/23/491627223.db2.gz XXEOAAPWOSPOKY-YPMHNXCESA-N 0 3 370.431 0.935 20 5 FCBDHN [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000578014277 491668002 /nfs/dbraw/zinc/66/80/02/491668002.db2.gz HOFJSRIDWIBPMV-VXGBXAGGSA-N 0 3 370.431 0.507 20 5 FCBDHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000579355318 491696284 /nfs/dbraw/zinc/69/62/84/491696284.db2.gz FFMQVFKVCXZFSN-MNOVXSKESA-N 0 3 356.404 0.069 20 5 FCBDHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580829164 491747559 /nfs/dbraw/zinc/74/75/59/491747559.db2.gz AOQWMWYSGDJOKA-VXGBXAGGSA-N 0 3 361.420 0.252 20 5 FCBDHN Cc1nn(CCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860621 491750511 /nfs/dbraw/zinc/75/05/11/491750511.db2.gz KEUQZSKKXPBJNC-ZIAGYGMSSA-N 0 3 351.407 0.466 20 5 FCBDHN O=C(NC1CC1)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580947344 491752633 /nfs/dbraw/zinc/75/26/33/491752633.db2.gz RIBYDGPAKYLOAU-INIZCTEOSA-N 0 3 359.386 0.834 20 5 FCBDHN O=C(CCNC[C@@H]1CS(=O)(=O)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000580947197 491752806 /nfs/dbraw/zinc/75/28/06/491752806.db2.gz JKNVPKNWFZVHPR-LLVKDONJSA-N 0 3 357.388 0.327 20 5 FCBDHN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCN(C)C ZINC000581320462 491768581 /nfs/dbraw/zinc/76/85/81/491768581.db2.gz DZPKTQPTIIGXDO-SECBINFHSA-N 0 3 352.347 0.120 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590550935 491779015 /nfs/dbraw/zinc/77/90/15/491779015.db2.gz UJEQLFGUCLGWIY-JTQLQIEISA-N 0 3 360.208 0.939 20 5 FCBDHN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)NCCN(C)C ZINC000581834509 491786722 /nfs/dbraw/zinc/78/67/22/491786722.db2.gz RDJYBACBUJCVIV-VIFPVBQESA-N 0 3 352.347 0.120 20 5 FCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582551027 491817419 /nfs/dbraw/zinc/81/74/19/491817419.db2.gz JPNTXXCJCSISMW-YPMHNXCESA-N 0 3 370.431 0.935 20 5 FCBDHN C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583441591 491845024 /nfs/dbraw/zinc/84/50/24/491845024.db2.gz YFTAMSJSEIQGRA-NEPJUHHUSA-N 0 3 370.431 0.459 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CCN2C1=O ZINC000584302843 491862769 /nfs/dbraw/zinc/86/27/69/491862769.db2.gz PGFJDROGXMLIOH-CABCVRRESA-N 0 3 370.369 0.165 20 5 FCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595383262 491926415 /nfs/dbraw/zinc/92/64/15/491926415.db2.gz BIDOQECIOHFVNF-CYBMUJFWSA-N 0 3 355.416 0.815 20 5 FCBDHN C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595979082 491967723 /nfs/dbraw/zinc/96/77/23/491967723.db2.gz QKBCXPJYIOMAPW-NEPJUHHUSA-N 0 3 370.431 0.459 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596078498 491974601 /nfs/dbraw/zinc/97/46/01/491974601.db2.gz RMBAYNVTIQRHHM-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CCN1CCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596073004 491974725 /nfs/dbraw/zinc/97/47/25/491974725.db2.gz BRLVMOCYVUGKEV-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN CCN1CCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000596074103 491974753 /nfs/dbraw/zinc/97/47/53/491974753.db2.gz RDJLFMFGJOGVNZ-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN CCN1CCN([C@H](C)CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596078497 491974826 /nfs/dbraw/zinc/97/48/26/491974826.db2.gz RMBAYNVTIQRHHM-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000596220866 491979973 /nfs/dbraw/zinc/97/99/73/491979973.db2.gz DYMKXHNIYMODOL-NSHDSACASA-N 0 3 372.447 0.524 20 5 FCBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2ccncc2)CC1 ZINC000603929743 492047460 /nfs/dbraw/zinc/04/74/60/492047460.db2.gz YRLVSULLUBAYAQ-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN CN1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604432625 492060878 /nfs/dbraw/zinc/06/08/78/492060878.db2.gz DWPANTRJFKTCKT-UHFFFAOYSA-N 0 3 370.431 0.427 20 5 FCBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000604561121 492063328 /nfs/dbraw/zinc/06/33/28/492063328.db2.gz XKKMWPAIWNPJDO-CQSZACIVSA-N 0 3 360.370 0.348 20 5 FCBDHN C[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597994498 492076865 /nfs/dbraw/zinc/07/68/65/492076865.db2.gz ZDSYKQYXVUMGLL-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN CNc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598187035 492087906 /nfs/dbraw/zinc/08/79/06/492087906.db2.gz OQZRNSUCMZIITF-UHFFFAOYSA-N 0 3 351.407 0.729 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341905 492095388 /nfs/dbraw/zinc/09/53/88/492095388.db2.gz IAOMSGCLLYBIRB-CQSZACIVSA-N 0 3 363.418 0.995 20 5 FCBDHN NC(=O)[C@@H]1CCCN1CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598990401 492128699 /nfs/dbraw/zinc/12/86/99/492128699.db2.gz NEOHWVGPGVVRPD-ZDUSSCGKSA-N 0 3 364.402 0.795 20 5 FCBDHN CC(C)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000608895639 492195332 /nfs/dbraw/zinc/19/53/32/492195332.db2.gz MRPQVSPCMJQHHW-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN CCN(CCN)C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000599892506 492214990 /nfs/dbraw/zinc/21/49/90/492214990.db2.gz YZJWRHJGVHRDMX-UHFFFAOYSA-N 0 3 352.347 0.436 20 5 FCBDHN CN1CCC[C@H](N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000609664588 492217589 /nfs/dbraw/zinc/21/75/89/492217589.db2.gz AOGGHXAKNVODQD-AWEZNQCLSA-N 0 3 364.450 0.765 20 5 FCBDHN CCCN(C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743320 492221229 /nfs/dbraw/zinc/22/12/29/492221229.db2.gz YKAHBDBTALWSGE-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611521029 492289375 /nfs/dbraw/zinc/28/93/75/492289375.db2.gz BQFSFNNBXTVEME-SWLSCSKDSA-N 0 3 374.397 0.873 20 5 FCBDHN CC1(C)CNCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592473445 546950579 /nfs/dbraw/zinc/95/05/79/546950579.db2.gz LCLABCOJERILMK-UHFFFAOYSA-N 0 3 356.404 0.084 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592490538 546951986 /nfs/dbraw/zinc/95/19/86/546951986.db2.gz ZBLLCPBJJHZQCL-CQSZACIVSA-N 0 3 350.375 0.760 20 5 FCBDHN CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544723 546953636 /nfs/dbraw/zinc/95/36/36/546953636.db2.gz IKPKKVQTTKOLPX-RYUDHWBXSA-N 0 3 370.431 0.459 20 5 FCBDHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1C ZINC000552083014 547324689 /nfs/dbraw/zinc/32/46/89/547324689.db2.gz NTOMFKPFZGJROE-NSHDSACASA-N 0 3 352.391 0.708 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652222 606240051 /nfs/dbraw/zinc/24/00/51/606240051.db2.gz WZPHNGZDRBFZCT-ZDUSSCGKSA-N 0 3 374.405 0.861 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652222 606240052 /nfs/dbraw/zinc/24/00/52/606240052.db2.gz WZPHNGZDRBFZCT-ZDUSSCGKSA-N 0 3 374.405 0.861 20 5 FCBDHN C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824570938 608491853 /nfs/dbraw/zinc/49/18/53/608491853.db2.gz OQKVVRJYMRAPJG-YGRLFVJLSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570938 608491854 /nfs/dbraw/zinc/49/18/54/608491854.db2.gz OQKVVRJYMRAPJG-YGRLFVJLSA-N 0 3 358.362 0.683 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826500782 608534148 /nfs/dbraw/zinc/53/41/48/608534148.db2.gz MALDXJOUGKCXPO-CQSZACIVSA-N 0 3 370.373 0.611 20 5 FCBDHN CN(CCO)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899726277 665958567 /nfs/dbraw/zinc/95/85/67/665958567.db2.gz JCTVFOVHXIYWDS-UHFFFAOYSA-N 0 3 350.419 0.852 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110884 664222371 /nfs/dbraw/zinc/22/23/71/664222371.db2.gz HDUQXZTWWSBXTO-YVECIDJPSA-N 0 3 366.443 0.852 20 5 FCBDHN O=C(CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC001002792155 667562870 /nfs/dbraw/zinc/56/28/70/667562870.db2.gz LEVHXQGRXIAARX-HUUCEWRRSA-N 0 3 352.435 0.635 20 5 FCBDHN CN(C)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000763030467 667941283 /nfs/dbraw/zinc/94/12/83/667941283.db2.gz RFINFSWAYVYDDC-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CN(C)C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000763053560 667942197 /nfs/dbraw/zinc/94/21/97/667942197.db2.gz UKWMDLGEVMAOLH-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(F)c1 ZINC000818949353 668964692 /nfs/dbraw/zinc/96/46/92/668964692.db2.gz KWUMWPOGUUJYMH-NSHDSACASA-N 0 3 355.301 0.659 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCNS(=O)(=O)Cc2ccon2)c1 ZINC000819136947 668983038 /nfs/dbraw/zinc/98/30/38/668983038.db2.gz RCCPDYSAWBZASR-CQSZACIVSA-N 0 3 370.387 0.325 20 5 FCBDHN C[N@@H+]1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034468 669896554 /nfs/dbraw/zinc/89/65/54/669896554.db2.gz PLYVLBKNWJORBX-GFCCVEGCSA-N 0 3 367.786 0.732 20 5 FCBDHN C[N@H+]1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034468 669896558 /nfs/dbraw/zinc/89/65/58/669896558.db2.gz PLYVLBKNWJORBX-GFCCVEGCSA-N 0 3 367.786 0.732 20 5 FCBDHN CC([C@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876074 671045264 /nfs/dbraw/zinc/04/52/64/671045264.db2.gz NBNJQTAQEMRBKK-SDBXPKJASA-N 0 3 351.294 0.466 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000853241190 671544477 /nfs/dbraw/zinc/54/44/77/671544477.db2.gz JEHOQYULHIIIDS-VXGBXAGGSA-N 0 3 356.404 0.517 20 5 FCBDHN CC([C@H](OC(=O)CN1CC(=O)N(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000860855297 671921796 /nfs/dbraw/zinc/92/17/96/671921796.db2.gz WLJBDFIGIXWIBU-XPTSAGLGSA-N 0 3 353.306 0.969 20 5 FCBDHN CCn1nnc(C)c1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436720 675653742 /nfs/dbraw/zinc/65/37/42/675653742.db2.gz VGUZEQPVSWNCNV-CHWSQXEVSA-N 0 3 350.423 0.742 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000728569180 1179105871 /nfs/dbraw/zinc/10/58/71/1179105871.db2.gz PJJXLEFKEYJHSF-UHFFFAOYSA-N 0 3 360.374 0.875 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000592341172 1196599110 /nfs/dbraw/zinc/59/91/10/1196599110.db2.gz ZDMYTVXFZAPMOO-CQSZACIVSA-N 0 3 360.374 0.888 20 5 FCBDHN CCCN(CCC)C(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147508177 1204789655 /nfs/dbraw/zinc/78/96/55/1204789655.db2.gz ULUBESPHWHSDSL-HUUCEWRRSA-N 0 3 366.462 0.835 20 5 FCBDHN O=C(NCc1cn(C2CN(CCCC3CCC3)C2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001094290933 1206214975 /nfs/dbraw/zinc/21/49/75/1206214975.db2.gz KSDZWDMLSHNXOV-HZPDHXFCSA-N 0 3 362.434 0.997 20 5 FCBDHN Cc1nccn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010666881 1213806791 /nfs/dbraw/zinc/80/67/91/1213806791.db2.gz KJICZHHIKWDDDH-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN CCn1nncc1CN1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699858 1214567506 /nfs/dbraw/zinc/56/75/06/1214567506.db2.gz HCAROQWKHNLCRR-HUUCEWRRSA-N 0 3 362.434 0.778 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cncc3nc[nH]c32)C1 ZINC000967946351 1215265762 /nfs/dbraw/zinc/26/57/62/1215265762.db2.gz NOODCERZUWVLIN-ZWNOBZJWSA-N 0 3 358.358 0.296 20 5 FCBDHN CC1CCN(C(=O)CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000668077 1216099488 /nfs/dbraw/zinc/09/94/88/1216099488.db2.gz BFFXBDPSKNUGDD-HZPDHXFCSA-N 0 3 364.446 0.658 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1cc3n(n1)CCC3)CC2 ZINC001050517408 1216328548 /nfs/dbraw/zinc/32/85/48/1216328548.db2.gz SFRHMKNJXDKQEH-HZPDHXFCSA-N 0 3 359.430 0.919 20 5 FCBDHN O=C(CO[C@H]1CCN(Cc2ccccc2)C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224798432 1225793270 /nfs/dbraw/zinc/79/32/70/1225793270.db2.gz YNAKIQHCJPSQRH-AWEZNQCLSA-N 0 3 364.358 0.369 20 5 FCBDHN CCn1cc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)nn1 ZINC001048525475 1218279186 /nfs/dbraw/zinc/27/91/86/1218279186.db2.gz WVPPJQXGPYQJGM-DPZJBDQQSA-N 0 3 362.434 0.822 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCCN(CC2=CCCCC2)CC1 ZINC001070963360 1219584351 /nfs/dbraw/zinc/58/43/51/1219584351.db2.gz NQAVSSFGELPRGF-HZPDHXFCSA-N 0 3 364.446 0.803 20 5 FCBDHN COc1ncc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c(C)n1 ZINC001072721593 1219619810 /nfs/dbraw/zinc/61/98/10/1219619810.db2.gz ZJLBRYCIYXUOGJ-ZIAGYGMSSA-N 0 3 361.402 0.493 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)CN1CCCCC1 ZINC000840458267 1222787487 /nfs/dbraw/zinc/78/74/87/1222787487.db2.gz WPLZBXGSCFDBJN-CQSZACIVSA-N 0 3 361.402 0.908 20 5 FCBDHN O=C(CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001160098043 1223145563 /nfs/dbraw/zinc/14/55/63/1223145563.db2.gz QNECVTSPVCNVCB-HZPDHXFCSA-N 0 3 364.446 0.849 20 5 FCBDHN CCCN1CC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001328357917 1265538322 /nfs/dbraw/zinc/53/83/22/1265538322.db2.gz ILJCZEOYCQBWEE-ZDUSSCGKSA-N 0 3 364.402 0.690 20 5 FCBDHN CN(C)c1ccncc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063733834 1254383414 /nfs/dbraw/zinc/38/34/14/1254383414.db2.gz CLWBCIXJDUTKRU-BXUZGUMPSA-N 0 3 361.402 0.582 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001330004591 1265921920 /nfs/dbraw/zinc/92/19/20/1265921920.db2.gz YENINQDBOWFCCX-UONOGXRCSA-N 0 3 364.406 0.041 20 5 FCBDHN O=C(NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001079153807 1255461707 /nfs/dbraw/zinc/46/17/07/1255461707.db2.gz AVEQKAANWXJKBR-HZPDHXFCSA-N 0 3 366.462 0.882 20 5 FCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546413 1263199317 /nfs/dbraw/zinc/19/93/17/1263199317.db2.gz VNPCNZVGWOTKOC-HIFRSBDPSA-N 0 3 366.418 0.769 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC001323464693 1264435602 /nfs/dbraw/zinc/43/56/02/1264435602.db2.gz TZEIWOOCXRCNPJ-UHFFFAOYSA-N 0 3 364.402 0.774 20 5 FCBDHN C[NH+](C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604676824 1287725190 /nfs/dbraw/zinc/72/51/90/1287725190.db2.gz BRJHYDSRKGZYRA-SECBINFHSA-N 0 3 358.362 0.658 20 5 FCBDHN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801126 1287785448 /nfs/dbraw/zinc/78/54/48/1287785448.db2.gz JUGGCXFZRSYJMX-LLVKDONJSA-N 0 3 364.391 0.526 20 5 FCBDHN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801126 1287785452 /nfs/dbraw/zinc/78/54/52/1287785452.db2.gz JUGGCXFZRSYJMX-LLVKDONJSA-N 0 3 364.391 0.526 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592721700 1285624735 /nfs/dbraw/zinc/62/47/35/1285624735.db2.gz UNZOOBPAOPLVFB-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592721700 1285624743 /nfs/dbraw/zinc/62/47/43/1285624743.db2.gz UNZOOBPAOPLVFB-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN Cc1cncn1CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689763525 1294837104 /nfs/dbraw/zinc/83/71/04/1294837104.db2.gz WJZURDUIHFVSAE-ZIAGYGMSSA-N 0 3 363.418 0.602 20 5 FCBDHN Cc1csc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001098364451 843910038 /nfs/dbraw/zinc/91/00/38/843910038.db2.gz VSGQAGGHMCDAPW-ZIAGYGMSSA-N 0 3 368.459 0.902 20 5 FCBDHN CC(C)CCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167865 845332849 /nfs/dbraw/zinc/33/28/49/845332849.db2.gz KJSPMPSCLGVSKS-HUUCEWRRSA-N 0 3 350.423 0.852 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCCN(CCCCCF)CC1 ZINC001131353822 849097074 /nfs/dbraw/zinc/09/70/74/849097074.db2.gz FGXYFAVQMCNFKH-ZIAGYGMSSA-N 0 3 358.414 0.442 20 5 FCBDHN CCC(C)(C)NC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506622 849582964 /nfs/dbraw/zinc/58/29/64/849582964.db2.gz HMTQIKHFQBFTPE-CHWSQXEVSA-N 0 3 352.435 0.491 20 5 FCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(Br)ccc1=NCCN ZINC001160975520 850216656 /nfs/dbraw/zinc/21/66/56/850216656.db2.gz HCUFFCLDSQRRKB-UHFFFAOYSA-N 0 3 368.191 0.949 20 5 FCBDHN COC(=O)COc1c(C)cc(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164300554 850403621 /nfs/dbraw/zinc/40/36/21/850403621.db2.gz SLXNTUKXIRTRDL-UHFFFAOYSA-N 0 3 361.376 0.180 20 5 FCBDHN COCCN1CCO[C@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025721 850603599 /nfs/dbraw/zinc/60/35/99/850603599.db2.gz UHOOYGQUCUQQOR-QXSJWSMHSA-N 0 3 355.435 0.628 20 5 FCBDHN CCOC(=O)CNC(=O)CN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307900 850649788 /nfs/dbraw/zinc/64/97/88/850649788.db2.gz JZZHRDDAUWEHNP-NSHDSACASA-N 0 3 353.375 0.803 20 5 FCBDHN CCOC(=O)c1cnc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)[n-]cnc1-2 ZINC001228909901 857236911 /nfs/dbraw/zinc/23/69/11/857236911.db2.gz HVDUFGRMPQSUHY-SNVBAGLBSA-O 0 3 351.383 0.497 20 5 FCBDHN CCOC(=O)c1cnc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc[n-]c1-2 ZINC001228909901 857236920 /nfs/dbraw/zinc/23/69/20/857236920.db2.gz HVDUFGRMPQSUHY-SNVBAGLBSA-O 0 3 351.383 0.497 20 5 FCBDHN CCOC(=O)c1c[n-]c2c1ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228909901 857236927 /nfs/dbraw/zinc/23/69/27/857236927.db2.gz HVDUFGRMPQSUHY-SNVBAGLBSA-O 0 3 351.383 0.497 20 5 FCBDHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[C@H]1N1CCN(C)CC1 ZINC001253921989 857927925 /nfs/dbraw/zinc/92/79/25/857927925.db2.gz BOAMMMHHPCPKRM-CHWSQXEVSA-N 0 3 350.423 0.426 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346016883 871604952 /nfs/dbraw/zinc/60/49/52/871604952.db2.gz GODYLEPYBVSTTO-AWEZNQCLSA-N 0 3 350.375 0.760 20 5 FCBDHN C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293994195 214216409 /nfs/dbraw/zinc/21/64/09/214216409.db2.gz YHWZQNDPHZNXCP-LLVKDONJSA-N 0 3 358.420 0.187 20 5 FCBDHN CC(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000294487055 214248192 /nfs/dbraw/zinc/24/81/92/214248192.db2.gz JCNNGZBDYTUHST-NSHDSACASA-N 0 3 369.399 0.312 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000295633319 214310215 /nfs/dbraw/zinc/31/02/15/214310215.db2.gz ZLJWUWVFSMWCCI-AWEZNQCLSA-N 0 3 364.402 0.288 20 5 FCBDHN CC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000265759872 210214945 /nfs/dbraw/zinc/21/49/45/210214945.db2.gz AHWQRTZRXPCZIA-LLVKDONJSA-N 0 3 369.399 0.312 20 5 FCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000411757176 529871339 /nfs/dbraw/zinc/87/13/39/529871339.db2.gz LBFKBSFYOBIZCN-CQSZACIVSA-N 0 3 370.431 0.889 20 5 FCBDHN CCN(CC)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265322374 210096434 /nfs/dbraw/zinc/09/64/34/210096434.db2.gz DRGHRJVNJFGVHZ-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN NS(=O)(=O)C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265032954 210042518 /nfs/dbraw/zinc/04/25/18/210042518.db2.gz LFCWEQJYYFOPHP-GFCCVEGCSA-N 0 3 370.431 0.924 20 5 FCBDHN CCNC(=O)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744756 213387765 /nfs/dbraw/zinc/38/77/65/213387765.db2.gz WDRHQRHOCCKHKP-JSGCOSHPSA-N 0 3 355.395 0.753 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285707927 213381184 /nfs/dbraw/zinc/38/11/84/213381184.db2.gz IFSWLDOVKRLVEB-UONOGXRCSA-N 0 3 359.386 0.931 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504556 215395439 /nfs/dbraw/zinc/39/54/39/215395439.db2.gz VQCPXYXZBRCXJS-KBPBESRZSA-N 0 3 351.407 0.778 20 5 FCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CN1CCN(C)CC1 ZINC000283827543 213014288 /nfs/dbraw/zinc/01/42/88/213014288.db2.gz FYFDXIMHOQVYIH-LLVKDONJSA-N 0 3 353.398 0.929 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000368313566 216231534 /nfs/dbraw/zinc/23/15/34/216231534.db2.gz WELLELRTBGRXQX-VROVMSAKSA-N 0 3 362.205 0.853 20 5 FCBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193105075 209309064 /nfs/dbraw/zinc/30/90/64/209309064.db2.gz RTXGKLAVUFFPRT-CYBMUJFWSA-N 0 3 356.448 0.899 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000193101346 209308140 /nfs/dbraw/zinc/30/81/40/209308140.db2.gz YHJGHFGDNOCQBQ-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN COc1c(F)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368639029 216275055 /nfs/dbraw/zinc/27/50/55/216275055.db2.gz RLMWKCNBHDOHJO-YUMQZZPRSA-N 0 3 351.331 0.721 20 5 FCBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359206 216390159 /nfs/dbraw/zinc/39/01/59/216390159.db2.gz PYTUGQMJODKSDZ-MRXNPFEDSA-N 0 3 361.446 0.906 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189121315 209246565 /nfs/dbraw/zinc/24/65/65/209246565.db2.gz HZULPGWTLSFPEB-UHFFFAOYSA-N 0 3 356.448 0.652 20 5 FCBDHN C[S@](=O)C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183098447 209140946 /nfs/dbraw/zinc/14/09/46/209140946.db2.gz NTKAQEZQBMRBRX-ISQRANHSSA-N 0 3 352.416 0.862 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000181962247 209124124 /nfs/dbraw/zinc/12/41/24/209124124.db2.gz RTYXPZZUSVRBKT-HOTGVXAUSA-N 0 3 365.430 0.989 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963687 217338523 /nfs/dbraw/zinc/33/85/23/217338523.db2.gz RWXFQWNEHZXZLP-CVEARBPZSA-N 0 3 350.350 0.885 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@H]2CN)c([N+](=O)[O-])c1 ZINC000419458324 246173553 /nfs/dbraw/zinc/17/35/53/246173553.db2.gz ZCXTWDUAHDXGBZ-ZDUSSCGKSA-N 0 3 363.418 0.771 20 5 FCBDHN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423621672 247079172 /nfs/dbraw/zinc/07/91/72/247079172.db2.gz YFKAZMHQQFUBCS-WDEREUQCSA-N 0 3 356.404 0.130 20 5 FCBDHN C[C@@H](CCCC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423700813 247116694 /nfs/dbraw/zinc/11/66/94/247116694.db2.gz VCTUTQQPRCDQND-NSHDSACASA-N 0 3 358.420 0.507 20 5 FCBDHN CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1[N+](=O)[O-] ZINC000424222867 247179773 /nfs/dbraw/zinc/17/97/73/247179773.db2.gz GDKAFBOSOXAFPF-UONOGXRCSA-N 0 3 358.402 0.718 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440513997 248193164 /nfs/dbraw/zinc/19/31/64/248193164.db2.gz PRDAWRCWCRNMFE-QGZVFWFLSA-N 0 3 359.386 0.545 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000453804475 249370200 /nfs/dbraw/zinc/37/02/00/249370200.db2.gz HQNZMMMNUAZODF-ZDUSSCGKSA-N 0 3 364.402 0.805 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473254604 250210187 /nfs/dbraw/zinc/21/01/87/250210187.db2.gz MBKOIYNVYUAMNT-MRXNPFEDSA-N 0 3 352.391 0.144 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000089204407 208121190 /nfs/dbraw/zinc/12/11/90/208121190.db2.gz TVVGPGVXHCTVBO-SNVBAGLBSA-N 0 3 360.374 0.820 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865414 208270837 /nfs/dbraw/zinc/27/08/37/208270837.db2.gz OFTRLTFZLNZMRA-UHFFFAOYSA-N 0 3 352.439 0.586 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363923292 488901177 /nfs/dbraw/zinc/90/11/77/488901177.db2.gz SNCYOEJVIXNNSV-CYBMUJFWSA-N 0 3 362.434 0.693 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041640291 487836891 /nfs/dbraw/zinc/83/68/91/487836891.db2.gz XHXKMKTUHQHVGA-CYBMUJFWSA-N 0 3 363.418 0.676 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000064337435 488312241 /nfs/dbraw/zinc/31/22/41/488312241.db2.gz NDQLPONVOAAXCJ-WDEREUQCSA-N 0 3 356.404 0.517 20 5 FCBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065893622 488322107 /nfs/dbraw/zinc/32/21/07/488322107.db2.gz ZSBBOYFIXPNPHV-UHFFFAOYSA-N 0 3 350.354 0.916 20 5 FCBDHN CC(C)[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000269167361 488475915 /nfs/dbraw/zinc/47/59/15/488475915.db2.gz WICSVCBNTKZZBU-AWEZNQCLSA-N 0 3 372.447 0.576 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104102677 488504127 /nfs/dbraw/zinc/50/41/27/488504127.db2.gz GSXVMRFIRCUYKD-UHFFFAOYSA-N 0 3 362.427 0.848 20 5 FCBDHN [NH3+]CC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000569928811 491203953 /nfs/dbraw/zinc/20/39/53/491203953.db2.gz HJRKTQUSQBQXDA-GFCCVEGCSA-N 0 3 370.431 0.461 20 5 FCBDHN CC(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262338307 488564644 /nfs/dbraw/zinc/56/46/44/488564644.db2.gz XVTAPVOUTDZFMH-AWEZNQCLSA-N 0 3 370.431 0.411 20 5 FCBDHN [NH3+][C@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262610133 488581083 /nfs/dbraw/zinc/58/10/83/488581083.db2.gz ARLNYNJMLRLJNB-QWRGUYRKSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C)CCOc1cc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000124177783 488590752 /nfs/dbraw/zinc/59/07/52/488590752.db2.gz NSXLBQZAVQOAKA-UHFFFAOYSA-N 0 3 362.390 0.833 20 5 FCBDHN C[C@H]1NCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000262821783 488595303 /nfs/dbraw/zinc/59/53/03/488595303.db2.gz SQENJPQASBWBRM-ZJUUUORDSA-N 0 3 352.416 0.995 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272730157 488600836 /nfs/dbraw/zinc/60/08/36/488600836.db2.gz PAIBOAVWZCGBSO-UHFFFAOYSA-N 0 3 364.406 0.912 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131748160 488648320 /nfs/dbraw/zinc/64/83/20/488648320.db2.gz DEJFSBRHSSORST-ZFWWWQNUSA-N 0 3 354.407 0.670 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274387221 488703756 /nfs/dbraw/zinc/70/37/56/488703756.db2.gz BJPWPLNTRWEZAC-UHFFFAOYSA-N 0 3 352.391 0.581 20 5 FCBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154451844 488742855 /nfs/dbraw/zinc/74/28/55/488742855.db2.gz BGLQWLMXIPEMKX-HNNXBMFYSA-N 0 3 357.432 0.984 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000267130755 488763863 /nfs/dbraw/zinc/76/38/63/488763863.db2.gz FLGJLYROWOMQSC-CYBMUJFWSA-N 0 3 364.402 0.886 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159136260 488783040 /nfs/dbraw/zinc/78/30/40/488783040.db2.gz GMBWKFSVBJGZTH-QGZVFWFLSA-N 0 3 373.413 0.717 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1[N+](=O)[O-] ZINC000171809610 488827340 /nfs/dbraw/zinc/82/73/40/488827340.db2.gz GWOSSOHDPLAOAS-UHFFFAOYSA-N 0 3 366.422 0.507 20 5 FCBDHN Cn1cc(C(=O)NCC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174848252 488851533 /nfs/dbraw/zinc/85/15/33/488851533.db2.gz ZOOXQVUFGFJBAN-UHFFFAOYSA-N 0 3 361.406 0.667 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000288533887 488989784 /nfs/dbraw/zinc/98/97/84/488989784.db2.gz HIRGTGAMHSUZJX-CQSZACIVSA-N 0 3 350.375 0.524 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000281337735 489068156 /nfs/dbraw/zinc/06/81/56/489068156.db2.gz CPAQGXPXHOYPRY-MRXNPFEDSA-N 0 3 368.390 0.361 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000362933034 489405821 /nfs/dbraw/zinc/40/58/21/489405821.db2.gz RLUGADATNYXLKL-OLZOCXBDSA-N 0 3 362.386 0.821 20 5 FCBDHN CCCc1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082245 489421051 /nfs/dbraw/zinc/42/10/51/489421051.db2.gz SGUAICXLXOLFPG-STQMWFEESA-N 0 3 351.407 0.942 20 5 FCBDHN CCCc1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082243 489421422 /nfs/dbraw/zinc/42/14/22/489421422.db2.gz SGUAICXLXOLFPG-OLZOCXBDSA-N 0 3 351.407 0.942 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000363358109 489456249 /nfs/dbraw/zinc/45/62/49/489456249.db2.gz APGZQYQCDJCDJJ-AWEZNQCLSA-N 0 3 361.402 0.731 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363540606 489477518 /nfs/dbraw/zinc/47/75/18/489477518.db2.gz YQVHWVGBNFHDME-CQSZACIVSA-N 0 3 350.423 0.338 20 5 FCBDHN CCOc1cc(NC(=O)C(=O)N(C)C2CNC2)c([N+](=O)[O-])cc1OCC ZINC000415739567 489548792 /nfs/dbraw/zinc/54/87/92/489548792.db2.gz VLFPKXAPHUBIKB-UHFFFAOYSA-N 0 3 366.374 0.761 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416288845 489576912 /nfs/dbraw/zinc/57/69/12/489576912.db2.gz IBZPEBWQOFKDHP-UHFFFAOYSA-N 0 3 350.375 0.544 20 5 FCBDHN CN(C)CC(C)(C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000457205276 489640411 /nfs/dbraw/zinc/64/04/11/489640411.db2.gz KRXXLYDQHPNTOE-UHFFFAOYSA-N 0 3 372.447 0.672 20 5 FCBDHN NC[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418029856 489675968 /nfs/dbraw/zinc/67/59/68/489675968.db2.gz ZZKPVVTVFFVEAM-CYBMUJFWSA-N 0 3 356.404 0.405 20 5 FCBDHN O=C(C[C@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429678404 489696760 /nfs/dbraw/zinc/69/67/60/489696760.db2.gz BRFLSXWGQBGUDY-NSHDSACASA-N 0 3 368.415 0.319 20 5 FCBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000418954054 489803305 /nfs/dbraw/zinc/80/33/05/489803305.db2.gz XAXKBQHXOVYONJ-LBPRGKRZSA-N 0 3 352.391 0.853 20 5 FCBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475725144 489845027 /nfs/dbraw/zinc/84/50/27/489845027.db2.gz XPCPLVWQMDUGBH-LLVKDONJSA-N 0 3 353.375 0.961 20 5 FCBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@]1(CO)CCOC1 ZINC000461377482 489907193 /nfs/dbraw/zinc/90/71/93/489907193.db2.gz VXIWXZKTHLRKCO-MRXNPFEDSA-N 0 3 351.359 0.976 20 5 FCBDHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420115307 489917285 /nfs/dbraw/zinc/91/72/85/489917285.db2.gz FFKRZTYZMCFHAG-LBPRGKRZSA-N 0 3 366.422 0.589 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F ZINC000564078575 491287325 /nfs/dbraw/zinc/28/73/25/491287325.db2.gz TVLKNUXPUVCSTE-GHMZBOCLSA-N 0 3 365.312 0.295 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420191435 489946734 /nfs/dbraw/zinc/94/67/34/489946734.db2.gz HBDVDBOCRMRMJW-HNNXBMFYSA-N 0 3 362.386 0.190 20 5 FCBDHN CC[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000421971225 490121549 /nfs/dbraw/zinc/12/15/49/490121549.db2.gz AKTDINOLXLZHCA-CQSZACIVSA-N 0 3 372.447 0.672 20 5 FCBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000497459809 490164028 /nfs/dbraw/zinc/16/40/28/490164028.db2.gz VLBFESCJNIMVRX-ZBFHGGJFSA-N 0 3 364.450 0.666 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N(C)C ZINC000564439245 491306698 /nfs/dbraw/zinc/30/66/98/491306698.db2.gz QZEJULAGSICVPL-LLVKDONJSA-N 0 3 358.420 0.793 20 5 FCBDHN Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000521371298 490253332 /nfs/dbraw/zinc/25/33/32/490253332.db2.gz BNVJDHZZPBSWOL-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN N[C@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498198479 490269355 /nfs/dbraw/zinc/26/93/55/490269355.db2.gz QVXWPLSXVACXMG-MRVPVSSYSA-N 0 3 362.358 0.923 20 5 FCBDHN CNc1nccc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000564586619 491315110 /nfs/dbraw/zinc/31/51/10/491315110.db2.gz SSTNMAYSAHWMBP-UHFFFAOYSA-N 0 3 371.401 1.431 20 5 FCBDHN CNc1nccc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000564586619 491315112 /nfs/dbraw/zinc/31/51/12/491315112.db2.gz SSTNMAYSAHWMBP-UHFFFAOYSA-N 0 3 371.401 1.431 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000534521456 490373319 /nfs/dbraw/zinc/37/33/19/490373319.db2.gz FPTUNZUYFAZVEH-UHFFFAOYSA-N 0 3 373.369 0.378 20 5 FCBDHN CC[N@H+](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655269 490391094 /nfs/dbraw/zinc/39/10/94/490391094.db2.gz CHWRZMPNQYFJMZ-UHFFFAOYSA-N 0 3 373.435 0.124 20 5 FCBDHN CC[N@@H+](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655269 490391104 /nfs/dbraw/zinc/39/11/04/490391104.db2.gz CHWRZMPNQYFJMZ-UHFFFAOYSA-N 0 3 373.435 0.124 20 5 FCBDHN C[NH2+][C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422769758 490474878 /nfs/dbraw/zinc/47/48/78/490474878.db2.gz PLFOPTCEINUOKG-NSHDSACASA-N 0 3 356.404 0.084 20 5 FCBDHN Cc1nc2n(n1)C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000571796178 491329665 /nfs/dbraw/zinc/32/96/65/491329665.db2.gz GAXZPTFVAJPYFI-LBPRGKRZSA-N 0 3 365.415 0.873 20 5 FCBDHN CC(C)C[C@@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422836058 490482628 /nfs/dbraw/zinc/48/26/28/490482628.db2.gz QRHLYEONUIHVHQ-NSHDSACASA-N 0 3 358.420 0.363 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000571824195 491331050 /nfs/dbraw/zinc/33/10/50/491331050.db2.gz NJDZOFGEVQYWPE-ONGXEEELSA-N 0 3 368.415 0.597 20 5 FCBDHN CC[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422981710 490510298 /nfs/dbraw/zinc/51/02/98/490510298.db2.gz PAQDXXUYVKPKCO-OLZOCXBDSA-N 0 3 356.448 0.993 20 5 FCBDHN O=C1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000564873198 491332538 /nfs/dbraw/zinc/33/25/38/491332538.db2.gz LUMYQLQUZCAMAO-LBPRGKRZSA-N 0 3 367.427 0.969 20 5 FCBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000535752683 490522991 /nfs/dbraw/zinc/52/29/91/490522991.db2.gz HCGMIJVWVLIZMV-UHFFFAOYSA-N 0 3 355.395 0.674 20 5 FCBDHN CCN1CCN(CCCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000524273941 490528404 /nfs/dbraw/zinc/52/84/04/490528404.db2.gz MDEAKNMXZDCFGX-UHFFFAOYSA-N 0 3 366.466 0.942 20 5 FCBDHN C[C@@H]1CCN(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775990 490559586 /nfs/dbraw/zinc/55/95/86/490559586.db2.gz ICFDMIGTTDOXRT-GFCCVEGCSA-N 0 3 362.386 0.778 20 5 FCBDHN O=C(CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000536343672 490570232 /nfs/dbraw/zinc/57/02/32/490570232.db2.gz XJVOOCFPKIMVMQ-UHFFFAOYSA-N 0 3 361.358 0.597 20 5 FCBDHN O=C(CCN1CCC2(CC1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000536343672 490570234 /nfs/dbraw/zinc/57/02/34/490570234.db2.gz XJVOOCFPKIMVMQ-UHFFFAOYSA-N 0 3 361.358 0.597 20 5 FCBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000501495818 490607717 /nfs/dbraw/zinc/60/77/17/490607717.db2.gz JYMLWPNIHMCACA-LBPRGKRZSA-N 0 3 363.374 0.882 20 5 FCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000556931713 491343822 /nfs/dbraw/zinc/34/38/22/491343822.db2.gz YNQSCWUQMAPVRQ-CQSZACIVSA-N 0 3 364.402 0.504 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000513434683 490728872 /nfs/dbraw/zinc/72/88/72/490728872.db2.gz OLMPLLUIYYUMSM-CYBMUJFWSA-N 0 3 351.407 0.606 20 5 FCBDHN CS(=O)(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000565090028 491352566 /nfs/dbraw/zinc/35/25/66/491352566.db2.gz WZKJFIQLGFYVLQ-YNEHKIRRSA-N 0 3 357.436 0.899 20 5 FCBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)NCCN(C)C ZINC000515310590 490817526 /nfs/dbraw/zinc/81/75/26/490817526.db2.gz WQNQVRZBPGLWAN-JTQLQIEISA-N 0 3 366.374 0.162 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CCN2C1=O ZINC000515870645 490842581 /nfs/dbraw/zinc/84/25/81/490842581.db2.gz UTFKXORRTPOOSJ-MFKMUULPSA-N 0 3 355.354 0.527 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCN(C2CC2)C1 ZINC000517403908 490907764 /nfs/dbraw/zinc/90/77/64/490907764.db2.gz FTJXQPMLBKYHQE-JTQLQIEISA-N 0 3 358.354 0.544 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000542772464 490908689 /nfs/dbraw/zinc/90/86/89/490908689.db2.gz OPQDVGHXQNOJOA-ZDUSSCGKSA-N 0 3 364.406 0.245 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530547365 490912592 /nfs/dbraw/zinc/91/25/92/490912592.db2.gz NQVLRZJWZGHPOL-ZDUSSCGKSA-N 0 3 367.402 0.957 20 5 FCBDHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000519000515 490958914 /nfs/dbraw/zinc/95/89/14/490958914.db2.gz DTAWQDGBZCENNH-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000531583282 490965563 /nfs/dbraw/zinc/96/55/63/490965563.db2.gz IBUYTTSMEAODRQ-ZDUSSCGKSA-N 0 3 350.423 0.867 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000531583282 490965564 /nfs/dbraw/zinc/96/55/64/490965564.db2.gz IBUYTTSMEAODRQ-ZDUSSCGKSA-N 0 3 350.423 0.867 20 5 FCBDHN COc1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000531832193 490976115 /nfs/dbraw/zinc/97/61/15/490976115.db2.gz VAHGIGPSAJRONK-UHFFFAOYSA-N 0 3 374.463 0.717 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000572764645 491392694 /nfs/dbraw/zinc/39/26/94/491392694.db2.gz FTATXVKGUMSDQS-HNNXBMFYSA-N 0 3 368.415 0.085 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573084489 491411131 /nfs/dbraw/zinc/41/11/31/491411131.db2.gz XYIMVZVFLHWFQG-TZMCWYRMSA-N 0 3 373.431 0.348 20 5 FCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)CC(F)(F)F)c1 ZINC000573110883 491413700 /nfs/dbraw/zinc/41/37/00/491413700.db2.gz IGSCCYZRQYIGCB-JTQLQIEISA-N 0 3 371.337 0.776 20 5 FCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1Cc2ccccc2C1 ZINC000566124263 491418960 /nfs/dbraw/zinc/41/89/60/491418960.db2.gz WHDZWMRDIPQPGS-BLLLJJGKSA-N 0 3 359.386 0.673 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566437629 491443647 /nfs/dbraw/zinc/44/36/47/491443647.db2.gz HFDAQKWLTNMHAX-GFCCVEGCSA-N 0 3 364.406 0.245 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000566497327 491448869 /nfs/dbraw/zinc/44/88/69/491448869.db2.gz YVKTWFZOHWVVQW-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566495670 491448947 /nfs/dbraw/zinc/44/89/47/491448947.db2.gz IAQPCGBSGYKFQF-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)nn1 ZINC000574038884 491470243 /nfs/dbraw/zinc/47/02/43/491470243.db2.gz ANMJUEQMGFIUCF-LLVKDONJSA-N 0 3 363.353 0.844 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CCN2C1=O ZINC000575196027 491544906 /nfs/dbraw/zinc/54/49/06/491544906.db2.gz BWRSTANUIMHUAE-NEPJUHHUSA-N 0 3 370.369 0.165 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000584400735 491587430 /nfs/dbraw/zinc/58/74/30/491587430.db2.gz VENHULIJYSXBHT-OAHLLOKOSA-N 0 3 364.402 0.724 20 5 FCBDHN CNc1nccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000561315561 491596778 /nfs/dbraw/zinc/59/67/78/491596778.db2.gz IOQUBZJWBGERQG-LBPRGKRZSA-N 0 3 350.423 0.787 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000569224730 491643311 /nfs/dbraw/zinc/64/33/11/491643311.db2.gz XSUZAPYFJRACAK-BPNCWPANSA-N 0 3 352.391 0.537 20 5 FCBDHN CC(C)N1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000586802814 491733081 /nfs/dbraw/zinc/73/30/81/491733081.db2.gz SMCSOTOQZJASFH-UHFFFAOYSA-N 0 3 350.423 0.949 20 5 FCBDHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000590370075 491774440 /nfs/dbraw/zinc/77/44/40/491774440.db2.gz RRAHILNWGKVXJD-MRVPVSSYSA-N 0 3 363.317 0.857 20 5 FCBDHN CC1(C)CN[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591672094 491817826 /nfs/dbraw/zinc/81/78/26/491817826.db2.gz AXQFNMQMIJKTEE-ZDUSSCGKSA-N 0 3 370.431 0.524 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)(CO)CC1 ZINC000595733390 491951066 /nfs/dbraw/zinc/95/10/66/491951066.db2.gz SAZWAYVDNLKAMM-UHFFFAOYSA-N 0 3 353.375 0.751 20 5 FCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000602797072 491998416 /nfs/dbraw/zinc/99/84/16/491998416.db2.gz HIGWRBCPHAUZRB-UHFFFAOYSA-N 0 3 353.423 0.259 20 5 FCBDHN O=[N+]([O-])c1ccn(CCN(CCN2CCOCC2)[C@H]2CCSC2)n1 ZINC000602882701 492002470 /nfs/dbraw/zinc/00/24/70/492002470.db2.gz OYVMYQJHBXTYJX-AWEZNQCLSA-N 0 3 355.464 0.931 20 5 FCBDHN CS(=O)(=O)N1CC(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614586353 492040715 /nfs/dbraw/zinc/04/07/15/492040715.db2.gz YDDAUIHFBKBYAB-UHFFFAOYSA-N 0 3 357.388 0.347 20 5 FCBDHN COc1ccc(CSCC(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597653506 492056658 /nfs/dbraw/zinc/05/66/58/492056658.db2.gz KGHYWDDTPOISFK-GFCCVEGCSA-N 0 3 357.432 0.875 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000597693283 492060107 /nfs/dbraw/zinc/06/01/07/492060107.db2.gz UVOWFBNHTKBNTD-YPMHNXCESA-N 0 3 366.422 0.625 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598186926 492088008 /nfs/dbraw/zinc/08/80/08/492088008.db2.gz NXYMPCJPAZOCRJ-UHFFFAOYSA-N 0 3 365.434 0.509 20 5 FCBDHN [NH3+]CCCOCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599109969 492136534 /nfs/dbraw/zinc/13/65/34/492136534.db2.gz AEPHQBVEUJCPKU-UHFFFAOYSA-N 0 3 361.376 0.010 20 5 FCBDHN COCCN(C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000608891392 492195141 /nfs/dbraw/zinc/19/51/41/492195141.db2.gz YURBZMOELQNQEX-UHFFFAOYSA-N 0 3 366.374 0.015 20 5 FCBDHN CN(CC(=O)NCCN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609985753 492230440 /nfs/dbraw/zinc/23/04/40/492230440.db2.gz KTAOVURJVFQQRZ-UHFFFAOYSA-N 0 3 370.431 0.427 20 5 FCBDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000610264082 492240636 /nfs/dbraw/zinc/24/06/36/492240636.db2.gz SOGMHFXTHSGOKA-CYBMUJFWSA-N 0 3 369.447 0.390 20 5 FCBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000619481746 492264835 /nfs/dbraw/zinc/26/48/35/492264835.db2.gz CVYJVNCANDNHJQ-UHFFFAOYSA-N 0 3 374.463 0.717 20 5 FCBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000411968120 534468288 /nfs/dbraw/zinc/46/82/88/534468288.db2.gz NRWUUBZBDNHTBO-GOSISDBHSA-N 0 3 356.382 0.886 20 5 FCBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202570 546946306 /nfs/dbraw/zinc/94/63/06/546946306.db2.gz FWPMEEFNQSCUBI-NEPJUHHUSA-N 0 3 351.359 0.779 20 5 FCBDHN CCOC(=O)c1cc(S(=O)(=O)N(C)C2CNC2)cc([N+](=O)[O-])c1C ZINC000592389154 546949698 /nfs/dbraw/zinc/94/96/98/546949698.db2.gz JEVXAWGAOWRTSX-UHFFFAOYSA-N 0 3 357.388 0.672 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000592543871 546953326 /nfs/dbraw/zinc/95/33/26/546953326.db2.gz SLKWBWXRYOSHLB-LLVKDONJSA-N 0 3 356.404 0.131 20 5 FCBDHN CNc1nccc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000594287014 547361483 /nfs/dbraw/zinc/36/14/83/547361483.db2.gz MXPFOFKZXDHPFU-UHFFFAOYSA-N 0 3 350.423 0.741 20 5 FCBDHN CN(C)c1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034642827 667762103 /nfs/dbraw/zinc/76/21/03/667762103.db2.gz GJHORLKNLHKSTO-DDHJBXDOSA-N 0 3 352.395 0.318 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)c1 ZINC000819136946 668982836 /nfs/dbraw/zinc/98/28/36/668982836.db2.gz RCCPDYSAWBZASR-AWEZNQCLSA-N 0 3 370.387 0.325 20 5 FCBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000813103092 669827789 /nfs/dbraw/zinc/82/77/89/669827789.db2.gz NMQXRZCLYNDPTA-LBPRGKRZSA-N 0 3 372.399 0.838 20 5 FCBDHN CC(COC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[N+](=O)[O-] ZINC000813111929 669828322 /nfs/dbraw/zinc/82/83/22/669828322.db2.gz BITXGBUGDNGHPR-JTQLQIEISA-N 0 3 355.372 0.789 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848675165 671289153 /nfs/dbraw/zinc/28/91/53/671289153.db2.gz SPQWPJPQKRWBQS-JTQLQIEISA-N 0 3 370.793 0.897 20 5 FCBDHN NC(=O)C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOCC1 ZINC000852493153 671510358 /nfs/dbraw/zinc/51/03/58/671510358.db2.gz HMCFKOWRJIJYAS-UHFFFAOYSA-N 0 3 354.338 0.687 20 5 FCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861708704 671982341 /nfs/dbraw/zinc/98/23/41/671982341.db2.gz BVYMWGDSJJSOAD-NEPJUHHUSA-N 0 3 353.350 0.780 20 5 FCBDHN CC(C)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000592247086 1196569092 /nfs/dbraw/zinc/56/90/92/1196569092.db2.gz RHGFNWMWBPEYHS-CYBMUJFWSA-N 0 3 362.386 0.777 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000593605995 1196807815 /nfs/dbraw/zinc/80/78/15/1196807815.db2.gz NGASTGPTKOLLRS-GOSISDBHSA-N 0 3 373.413 0.944 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808222915 1202876931 /nfs/dbraw/zinc/87/69/31/1202876931.db2.gz PSBOBJOYGQEZLC-LRDDRELGSA-N 0 3 362.386 0.661 20 5 FCBDHN O=C(NC1CC1)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036898 1202939993 /nfs/dbraw/zinc/93/99/93/1202939993.db2.gz ATJQGAUMSIEIOT-ZFWWWQNUSA-N 0 3 367.406 0.895 20 5 FCBDHN O=C(c1ccn[nH]1)N(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000952618166 1212965812 /nfs/dbraw/zinc/96/58/12/1212965812.db2.gz KCKUOUOPGCJENC-UKRRQHHQSA-N 0 3 361.402 0.918 20 5 FCBDHN O=C(CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001001395381 1216187345 /nfs/dbraw/zinc/18/73/45/1216187345.db2.gz KPXZZJLEOHEFFB-HZPDHXFCSA-N 0 3 366.462 0.929 20 5 FCBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001069434514 1216789634 /nfs/dbraw/zinc/78/96/34/1216789634.db2.gz NHGPYDBYYFGZOG-ZIAGYGMSSA-N 0 3 363.418 0.895 20 5 FCBDHN CN(C)c1ccncc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388595 1217396286 /nfs/dbraw/zinc/39/62/86/1217396286.db2.gz HQAGTYPCOLTOJU-IUODEOHRSA-N 0 3 363.418 0.733 20 5 FCBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc2nc[nH]c21 ZINC001067391902 1217404484 /nfs/dbraw/zinc/40/44/84/1217404484.db2.gz NAROXRCNVNDMPE-ZWNOBZJWSA-N 0 3 360.374 0.544 20 5 FCBDHN Cc1cc(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC001055567062 1219081349 /nfs/dbraw/zinc/08/13/49/1219081349.db2.gz VVVLQKRUTKDXAT-HUUCEWRRSA-N 0 3 364.402 0.564 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc(F)c[nH]1 ZINC001055600087 1219095800 /nfs/dbraw/zinc/09/58/00/1219095800.db2.gz CCJQRTXPNRDLDM-TZMCWYRMSA-N 0 3 367.381 0.129 20 5 FCBDHN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001159434023 1223126937 /nfs/dbraw/zinc/12/69/37/1223126937.db2.gz VQCJDWHJHCCCFH-BRWVUGGUSA-N 0 3 374.441 0.543 20 5 FCBDHN CCn1ncc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589077 1247905822 /nfs/dbraw/zinc/90/58/22/1247905822.db2.gz FARPBFXQKRGNQG-OCVGTWLNSA-N 0 3 362.434 0.634 20 5 FCBDHN O=C(CCc1nnc[nH]1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060705136 1254130817 /nfs/dbraw/zinc/13/08/17/1254130817.db2.gz RSLTVJYJYUGECA-FDYHWXHSSA-N 0 3 364.406 0.194 20 5 FCBDHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254599530 1259889269 /nfs/dbraw/zinc/88/92/69/1259889269.db2.gz ZNJQPKBIKMVVHL-ZACQAIPSSA-N 0 3 360.414 0.193 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596774 1259890397 /nfs/dbraw/zinc/89/03/97/1259890397.db2.gz RFNZRAXDQFAOQO-WMZOPIPTSA-N 0 3 358.398 0.485 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342570299 1269520700 /nfs/dbraw/zinc/52/07/00/1269520700.db2.gz MHGJNTSTJIXMEO-UHFFFAOYSA-N 0 3 364.402 0.522 20 5 FCBDHN C[C@@](N)(C(=O)N[C@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082306 1272853485 /nfs/dbraw/zinc/85/34/85/1272853485.db2.gz XBSLVHCZKAICBC-YOEHRIQHSA-N 0 3 350.419 0.732 20 5 FCBDHN C[NH+](C)CCC(=O)NCC1(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001604683518 1287731650 /nfs/dbraw/zinc/73/16/50/1287731650.db2.gz WYQLBUMIXJFDJW-UHFFFAOYSA-N 0 3 374.405 0.787 20 5 FCBDHN C[NH+](C)CCC(=O)NCC1(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001604683518 1287731658 /nfs/dbraw/zinc/73/16/58/1287731658.db2.gz WYQLBUMIXJFDJW-UHFFFAOYSA-N 0 3 374.405 0.787 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284235 1289047702 /nfs/dbraw/zinc/04/77/02/1289047702.db2.gz GXJKVCQLQILSIU-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284235 1289047706 /nfs/dbraw/zinc/04/77/06/1289047706.db2.gz GXJKVCQLQILSIU-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284235 1289047710 /nfs/dbraw/zinc/04/77/10/1289047710.db2.gz GXJKVCQLQILSIU-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284235 1289047714 /nfs/dbraw/zinc/04/77/14/1289047714.db2.gz GXJKVCQLQILSIU-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2nnn[n-]2)c1 ZINC001593485954 1286174350 /nfs/dbraw/zinc/17/43/50/1286174350.db2.gz IEBUEAXOTAVPFP-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2nnn[n-]2)c1 ZINC001593485954 1286174352 /nfs/dbraw/zinc/17/43/52/1286174352.db2.gz IEBUEAXOTAVPFP-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2nn[n-]n2)c1 ZINC001593485954 1286174360 /nfs/dbraw/zinc/17/43/60/1286174360.db2.gz IEBUEAXOTAVPFP-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2nn[n-]n2)c1 ZINC001593485954 1286174367 /nfs/dbraw/zinc/17/43/67/1286174367.db2.gz IEBUEAXOTAVPFP-GFCCVEGCSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccccc2-c2nnn[n-]2)c1 ZINC001607086019 1288654161 /nfs/dbraw/zinc/65/41/61/1288654161.db2.gz QLSJTFNZBUQBIN-GFCCVEGCSA-N 0 3 374.361 0.001 20 5 FCBDHN O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccccc2-c2nn[n-]n2)c1 ZINC001607086019 1288654163 /nfs/dbraw/zinc/65/41/63/1288654163.db2.gz QLSJTFNZBUQBIN-GFCCVEGCSA-N 0 3 374.361 0.001 20 5 FCBDHN CCCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079155039 839489487 /nfs/dbraw/zinc/48/94/87/839489487.db2.gz IZUYXALCKWDYTC-HUUCEWRRSA-N 0 3 354.451 0.882 20 5 FCBDHN NCCN=c1ccc(Br)cn1-c1ncc([N+](=O)[O-])cc1N ZINC001160975828 850217764 /nfs/dbraw/zinc/21/77/64/850217764.db2.gz OWXXRBYECZSPRU-UHFFFAOYSA-N 0 3 353.180 0.985 20 5 FCBDHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169020165 850602055 /nfs/dbraw/zinc/60/20/55/850602055.db2.gz KBVPHRRVMCQBRZ-NBFUAULTSA-N 0 3 355.435 0.768 20 5 FCBDHN C[C@H](Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170562339 850659515 /nfs/dbraw/zinc/65/95/15/850659515.db2.gz IJVPKMPQUQORLB-BQBZGAKWSA-N 0 3 365.799 0.231 20 5 FCBDHN CC(C)CN1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001263567308 859178475 /nfs/dbraw/zinc/17/84/75/859178475.db2.gz XUVMBCUQOFZOQK-AWEZNQCLSA-N 0 3 352.439 0.869 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001303801610 866467070 /nfs/dbraw/zinc/46/70/70/866467070.db2.gz ORRVSTXKNIDRJT-PWSUYJOCSA-N 0 3 350.375 0.542 20 5 FCBDHN CCN1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001303981220 866484660 /nfs/dbraw/zinc/48/46/60/866484660.db2.gz QBIFOJQUMNDYNQ-NSHDSACASA-N 0 3 356.404 0.456 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001307226159 866651426 /nfs/dbraw/zinc/65/14/26/866651426.db2.gz CKXUQIPZVARDBC-CHWSQXEVSA-N 0 3 370.431 0.278 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000294209326 214230465 /nfs/dbraw/zinc/23/04/65/214230465.db2.gz AKOTYGSDJKAEFZ-UHFFFAOYSA-N 0 3 370.431 0.475 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295140618 214279257 /nfs/dbraw/zinc/27/92/57/214279257.db2.gz DSGUBEYXAVTLRP-QMMMGPOBSA-N 0 3 367.343 0.552 20 5 FCBDHN C[C@@H]([NH2+]C1CC1)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295259602 214288004 /nfs/dbraw/zinc/28/80/04/214288004.db2.gz UXHHHOXNKZAWEY-SNVBAGLBSA-N 0 3 356.404 0.130 20 5 FCBDHN COC[C@@]1(C(=O)OC)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175396 214335310 /nfs/dbraw/zinc/33/53/10/214335310.db2.gz IAXXYIUZNOLKOM-RHSMWYFYSA-N 0 3 368.386 0.846 20 5 FCBDHN CCN(C)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265720710 210207156 /nfs/dbraw/zinc/20/71/56/210207156.db2.gz YYJLMSRQFRHVGU-UHFFFAOYSA-N 0 3 366.374 0.763 20 5 FCBDHN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000265674215 210194095 /nfs/dbraw/zinc/19/40/95/210194095.db2.gz UGONRXICGFFFGA-LLVKDONJSA-N 0 3 358.420 0.282 20 5 FCBDHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)(N2CCOCC2)CC1 ZINC000413873751 530049405 /nfs/dbraw/zinc/04/94/05/530049405.db2.gz HEPLNQDXQLWWPB-UHFFFAOYSA-N 0 3 352.391 0.714 20 5 FCBDHN Cc1c(C(=O)NCCN(C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265432970 210133499 /nfs/dbraw/zinc/13/34/99/210133499.db2.gz WBISDXDGLNAPNM-UHFFFAOYSA-N 0 3 356.404 0.375 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285370990 213331941 /nfs/dbraw/zinc/33/19/41/213331941.db2.gz MMKQWTISSAIBKC-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN CN1CC=C(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000283873522 213024424 /nfs/dbraw/zinc/02/44/24/213024424.db2.gz WJDONYDAUOHRQK-UHFFFAOYSA-N 0 3 353.400 0.990 20 5 FCBDHN CCN(CC)CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000283776567 213006567 /nfs/dbraw/zinc/00/65/67/213006567.db2.gz SFCUZQZMBISMES-UHFFFAOYSA-N 0 3 362.390 0.545 20 5 FCBDHN COC[C@@H]1C[C@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000411913654 237099747 /nfs/dbraw/zinc/09/97/47/237099747.db2.gz RXZZVQIVEZAKHX-STQMWFEESA-N 0 3 351.359 0.974 20 5 FCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185876938 209182942 /nfs/dbraw/zinc/18/29/42/209182942.db2.gz NQXNBJSIIOVKBH-CYBMUJFWSA-N 0 3 353.427 0.117 20 5 FCBDHN CN1CCN(C(=O)CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000276328660 212212559 /nfs/dbraw/zinc/21/25/59/212212559.db2.gz QNVJFXGRPFJNBZ-UHFFFAOYSA-N 0 3 361.446 0.881 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181216986 209109494 /nfs/dbraw/zinc/10/94/94/209109494.db2.gz GLILYIMYKGTRKI-AWEZNQCLSA-N 0 3 361.402 0.556 20 5 FCBDHN COCCNCCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419264275 246081645 /nfs/dbraw/zinc/08/16/45/246081645.db2.gz DKXFONNEDVJTGZ-LBPRGKRZSA-N 0 3 352.391 0.433 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2N)cn1 ZINC000424231852 247183239 /nfs/dbraw/zinc/18/32/39/247183239.db2.gz GUZSELLVUPZJSM-QWHCGFSZSA-N 0 3 373.369 0.666 20 5 FCBDHN Cn1cc([C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2N)cn1 ZINC000424303168 247196163 /nfs/dbraw/zinc/19/61/63/247196163.db2.gz ZBHQUOZNLZMXCE-GVDBMIGSSA-N 0 3 370.413 0.860 20 5 FCBDHN C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000272551611 211566251 /nfs/dbraw/zinc/56/62/51/211566251.db2.gz KRDZJKOWMIKPAE-RYUDHWBXSA-N 0 3 370.431 0.424 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1CCCO ZINC000452346526 249310082 /nfs/dbraw/zinc/31/00/82/249310082.db2.gz GTRJCWAVWWBQFR-HNNXBMFYSA-N 0 3 364.402 0.288 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@H]2CCCN2CCCO)c(C)c1[N+](=O)[O-] ZINC000452347086 249310122 /nfs/dbraw/zinc/31/01/22/249310122.db2.gz IBDONGHAHQGEEA-CQSZACIVSA-N 0 3 353.423 0.761 20 5 FCBDHN COc1cc(OCC(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452351578 249311003 /nfs/dbraw/zinc/31/10/03/249311003.db2.gz QCEFDYBHAYVJKX-CYBMUJFWSA-N 0 3 367.402 0.945 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270889447 211292870 /nfs/dbraw/zinc/29/28/70/211292870.db2.gz QAWDVDYDEFVAQA-NVXWUHKLSA-N 0 3 373.413 0.791 20 5 FCBDHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472615855 250167137 /nfs/dbraw/zinc/16/71/37/250167137.db2.gz YQBKQVWXGQCXFY-ZDUSSCGKSA-N 0 3 354.338 0.461 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000473262583 250212648 /nfs/dbraw/zinc/21/26/48/250212648.db2.gz XBLBPPCWTMFBRT-MRXNPFEDSA-N 0 3 362.390 0.608 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000473200545 250206656 /nfs/dbraw/zinc/20/66/56/250206656.db2.gz KKYPDPGRWVOCDG-GFCCVEGCSA-N 0 3 372.447 0.660 20 5 FCBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245393 208109223 /nfs/dbraw/zinc/10/92/23/208109223.db2.gz XZGRQGFKBQMUNN-MRXNPFEDSA-N 0 3 353.419 0.989 20 5 FCBDHN CCN1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000117705658 208346548 /nfs/dbraw/zinc/34/65/48/208346548.db2.gz OGDJJAGSUCRSJZ-LBPRGKRZSA-N 0 3 362.386 0.921 20 5 FCBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266059587 210274656 /nfs/dbraw/zinc/27/46/56/210274656.db2.gz YTHJAJGYRQAHBV-JTQLQIEISA-N 0 3 359.404 0.985 20 5 FCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161736087 229198797 /nfs/dbraw/zinc/19/87/97/229198797.db2.gz XWAXGIBNXXOPLQ-AWEZNQCLSA-N 0 3 354.411 0.544 20 5 FCBDHN O=C1NCCN1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051450010 488133256 /nfs/dbraw/zinc/13/32/56/488133256.db2.gz NOJGMMPIIKRZLM-HNNXBMFYSA-N 0 3 364.402 0.824 20 5 FCBDHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000569845307 491198268 /nfs/dbraw/zinc/19/82/68/491198268.db2.gz GWQSBRJKMFOTGU-NEPJUHHUSA-N 0 3 370.431 0.377 20 5 FCBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000247503789 488487337 /nfs/dbraw/zinc/48/73/37/488487337.db2.gz LYOOUYDNAWJGBO-QSJFSLAZSA-N 0 3 367.450 0.726 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000103448623 488501468 /nfs/dbraw/zinc/50/14/68/488501468.db2.gz DWDHNSXVRSTYLY-UHFFFAOYSA-N 0 3 366.422 0.194 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269919240 488514155 /nfs/dbraw/zinc/51/41/55/488514155.db2.gz PLSSDEVUBYYNTP-MRXNPFEDSA-N 0 3 352.391 0.144 20 5 FCBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000271599362 488529893 /nfs/dbraw/zinc/52/98/93/488529893.db2.gz HYILIAJWOMQRQF-OLZOCXBDSA-N 0 3 360.461 0.724 20 5 FCBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262154821 488553990 /nfs/dbraw/zinc/55/39/90/488553990.db2.gz SLTVRFHKEVAFAQ-MFKMUULPSA-N 0 3 358.420 0.363 20 5 FCBDHN CCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262234185 488558980 /nfs/dbraw/zinc/55/89/80/488558980.db2.gz PEENEVVGURMXHO-CQSZACIVSA-N 0 3 370.431 0.555 20 5 FCBDHN CC[C@H](C)[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262327031 488564225 /nfs/dbraw/zinc/56/42/25/488564225.db2.gz UHJPKJCTMPZOTR-HZMBPMFUSA-N 0 3 372.447 0.900 20 5 FCBDHN C[C@H]1C[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262332255 488564265 /nfs/dbraw/zinc/56/42/65/488564265.db2.gz FAWGDAVAHYEVHK-RYUDHWBXSA-N 0 3 370.431 0.377 20 5 FCBDHN NC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000262409882 488568801 /nfs/dbraw/zinc/56/88/01/488568801.db2.gz CWORAJANSXODHO-UHFFFAOYSA-N 0 3 356.404 0.261 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272380001 488577075 /nfs/dbraw/zinc/57/70/75/488577075.db2.gz FNGHVAGMDSMQIE-CQSZACIVSA-N 0 3 363.418 0.850 20 5 FCBDHN [NH3+][C@@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262610137 488580999 /nfs/dbraw/zinc/58/09/99/488580999.db2.gz ARLNYNJMLRLJNB-WDEREUQCSA-N 0 3 356.404 0.117 20 5 FCBDHN [NH3+][C@H]1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262610130 488581132 /nfs/dbraw/zinc/58/11/32/488581132.db2.gz ARLNYNJMLRLJNB-MNOVXSKESA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000263974304 488640478 /nfs/dbraw/zinc/64/04/78/488640478.db2.gz WYLMVUVPSKWZAH-CQSZACIVSA-N 0 3 363.418 0.850 20 5 FCBDHN C[C@@H](CN1CCOCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570003773 491209644 /nfs/dbraw/zinc/20/96/44/491209644.db2.gz BRGYQGPNGOKNLR-ZDUSSCGKSA-N 0 3 357.432 0.679 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000264238400 488657044 /nfs/dbraw/zinc/65/70/44/488657044.db2.gz BIDRJPZTSXFGNJ-UHFFFAOYSA-N 0 3 352.391 0.878 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000133355911 488659263 /nfs/dbraw/zinc/65/92/63/488659263.db2.gz VSNYEGYNCJCMOY-OAHLLOKOSA-N 0 3 366.466 0.878 20 5 FCBDHN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264459662 488676390 /nfs/dbraw/zinc/67/63/90/488676390.db2.gz DVTGNQIDMBFTOU-ZDUSSCGKSA-N 0 3 360.374 0.541 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCN(C2CC2)C1 ZINC000143998467 488691726 /nfs/dbraw/zinc/69/17/26/488691726.db2.gz PTIUCUKXHUFPCT-LLVKDONJSA-N 0 3 360.370 0.673 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000274249954 488693664 /nfs/dbraw/zinc/69/36/64/488693664.db2.gz HYYACAQKSJTHOA-INIZCTEOSA-N 0 3 352.391 0.579 20 5 FCBDHN COCCCN(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000152426421 488717920 /nfs/dbraw/zinc/71/79/20/488717920.db2.gz LJTKNJWXARJGDK-UHFFFAOYSA-N 0 3 362.390 0.874 20 5 FCBDHN Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266871842 488739345 /nfs/dbraw/zinc/73/93/45/488739345.db2.gz XYFWTWAGJVNUFO-VIFPVBQESA-N 0 3 370.431 0.763 20 5 FCBDHN O=C(CC1(N2CCOCC2)CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000156997400 488768600 /nfs/dbraw/zinc/76/86/00/488768600.db2.gz FQIWJKDPWSRCQI-UHFFFAOYSA-N 0 3 351.407 0.943 20 5 FCBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000160104455 488789436 /nfs/dbraw/zinc/78/94/36/488789436.db2.gz RGSQGTTYRPTNEO-GFCCVEGCSA-N 0 3 352.439 0.884 20 5 FCBDHN Cn1cc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176474 491222191 /nfs/dbraw/zinc/22/21/91/491222191.db2.gz OYFRWCLNFFHHKV-CVEARBPZSA-N 0 3 370.413 0.739 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000365337133 489064937 /nfs/dbraw/zinc/06/49/37/489064937.db2.gz PKAPEHRGBRLQPZ-HNNXBMFYSA-N 0 3 364.450 0.728 20 5 FCBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000366461559 489185375 /nfs/dbraw/zinc/18/53/75/489185375.db2.gz MFIFBSQNBZLNEV-IUCAKERBSA-N 0 3 358.757 0.794 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298201088 489302851 /nfs/dbraw/zinc/30/28/51/489302851.db2.gz XVCLJLLYNVXZMD-NSHDSACASA-N 0 3 360.370 0.791 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563449664 491248078 /nfs/dbraw/zinc/24/80/78/491248078.db2.gz ZKXCGPGOKJMYTG-NEPJUHHUSA-N 0 3 363.374 0.769 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363096196 489423218 /nfs/dbraw/zinc/42/32/18/489423218.db2.gz ZVIUKYLECDCVAT-HUUCEWRRSA-N 0 3 362.386 0.304 20 5 FCBDHN C[C@H]1CCN[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000423098835 489493356 /nfs/dbraw/zinc/49/33/56/489493356.db2.gz SPAWZGQQBFNTJW-FZMZJTMJSA-N 0 3 370.431 0.377 20 5 FCBDHN C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423217378 489503933 /nfs/dbraw/zinc/50/39/33/489503933.db2.gz RZRAITAUOGLWLR-NEPJUHHUSA-N 0 3 370.431 0.377 20 5 FCBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000426878665 489585452 /nfs/dbraw/zinc/58/54/52/489585452.db2.gz JXWSQQXJAGGXSR-LBPRGKRZSA-N 0 3 364.362 0.126 20 5 FCBDHN CCN1CCN(CCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000427820465 489622398 /nfs/dbraw/zinc/62/23/98/489622398.db2.gz VHGQQPLRZQIVKB-UHFFFAOYSA-N 0 3 364.450 0.982 20 5 FCBDHN COc1cc(CCNC(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000416899523 489633026 /nfs/dbraw/zinc/63/30/26/489633026.db2.gz FZYMYCCJNLEVBQ-LBPRGKRZSA-N 0 3 368.390 0.442 20 5 FCBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCNCC1 ZINC000428415319 489646951 /nfs/dbraw/zinc/64/69/51/489646951.db2.gz ZTAUYGWFNZPLBF-LLVKDONJSA-N 0 3 370.431 0.861 20 5 FCBDHN C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000570846280 491269309 /nfs/dbraw/zinc/26/93/09/491269309.db2.gz UWTZGTPKCCXGAZ-MNOVXSKESA-N 0 3 356.404 0.069 20 5 FCBDHN CCC[NH2+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688137 489661208 /nfs/dbraw/zinc/66/12/08/489661208.db2.gz DNBPEBBHKDOTRP-UHFFFAOYSA-N 0 3 373.435 0.172 20 5 FCBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475725145 489845102 /nfs/dbraw/zinc/84/51/02/489845102.db2.gz XPCPLVWQMDUGBH-NSHDSACASA-N 0 3 353.375 0.961 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433197213 489871684 /nfs/dbraw/zinc/87/16/84/489871684.db2.gz QLUNYFFLOGYRSO-GFCCVEGCSA-N 0 3 351.359 0.905 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCN(C)C ZINC000476242936 489876789 /nfs/dbraw/zinc/87/67/89/489876789.db2.gz VHIJALYZKBCNRP-GFCCVEGCSA-N 0 3 352.391 0.408 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCN(C)C ZINC000476242937 489876960 /nfs/dbraw/zinc/87/69/60/489876960.db2.gz VHIJALYZKBCNRP-LBPRGKRZSA-N 0 3 352.391 0.408 20 5 FCBDHN COc1cc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000377511956 489912355 /nfs/dbraw/zinc/91/23/55/489912355.db2.gz LYBBXMXDNGQUQR-OCCSQVGLSA-N 0 3 365.386 0.962 20 5 FCBDHN C[C@H]1NCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000434710829 489950833 /nfs/dbraw/zinc/95/08/33/489950833.db2.gz ZOTBEEKCHWKRFH-NEPJUHHUSA-N 0 3 370.431 0.472 20 5 FCBDHN C[C@@H]1NCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000434710570 489951720 /nfs/dbraw/zinc/95/17/20/489951720.db2.gz YHLDUKQEIIOTQR-RYUDHWBXSA-N 0 3 370.431 0.472 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCCS(=O)(=O)c2ccccc2)c1 ZINC000519818113 490091292 /nfs/dbraw/zinc/09/12/92/490091292.db2.gz KDOLUNXHEFOSDW-CQSZACIVSA-N 0 3 368.415 0.606 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444896823 490114706 /nfs/dbraw/zinc/11/47/06/490114706.db2.gz DDXKLXNQDFQHSA-UHFFFAOYSA-N 0 3 372.389 1.551 20 5 FCBDHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000520277351 490127433 /nfs/dbraw/zinc/12/74/33/490127433.db2.gz FUSNZUTWLIPBII-QGZVFWFLSA-N 0 3 365.386 0.799 20 5 FCBDHN CNc1nccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000571342834 491302370 /nfs/dbraw/zinc/30/23/70/491302370.db2.gz LGJYURDKFLZGBQ-UHFFFAOYSA-N 0 3 350.423 0.787 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000564490675 491310429 /nfs/dbraw/zinc/31/04/29/491310429.db2.gz JADCOYWGEQJTAU-SMDDNHRTSA-N 0 3 351.359 0.568 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)NCCN(C)C ZINC000546855608 490253251 /nfs/dbraw/zinc/25/32/51/490253251.db2.gz UPPCJQZHYQVVQM-ZDUSSCGKSA-N 0 3 366.422 0.394 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000564559315 491313841 /nfs/dbraw/zinc/31/38/41/491313841.db2.gz SPLFEQYBGKRPKV-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN CN(C)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000483482197 490320685 /nfs/dbraw/zinc/32/06/85/490320685.db2.gz JYQJGUCQLTWGGF-UHFFFAOYSA-N 0 3 366.418 0.739 20 5 FCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712475 490333918 /nfs/dbraw/zinc/33/39/18/490333918.db2.gz ZQWOIDKGYQCYAO-BXUZGUMPSA-N 0 3 374.397 0.919 20 5 FCBDHN CN(C)CC1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000467725583 490335298 /nfs/dbraw/zinc/33/52/98/490335298.db2.gz SVUHLVKLCLLLOP-UHFFFAOYSA-N 0 3 363.418 0.995 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000535381260 490486465 /nfs/dbraw/zinc/48/64/65/490486465.db2.gz BXAYFTVMWCQLTN-UHFFFAOYSA-N 0 3 368.409 0.854 20 5 FCBDHN [NH3+]C[C@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422860719 490487768 /nfs/dbraw/zinc/48/77/68/490487768.db2.gz IRSGFHXIWCKHST-GHMZBOCLSA-N 0 3 356.404 0.117 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000571824194 491331175 /nfs/dbraw/zinc/33/11/75/491331175.db2.gz NJDZOFGEVQYWPE-MWLCHTKSSA-N 0 3 368.415 0.597 20 5 FCBDHN C[C@H]1CC[NH2+]CC[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980075 490510315 /nfs/dbraw/zinc/51/03/15/490510315.db2.gz KRMDBAGIOYDDJW-QWHCGFSZSA-N 0 3 356.448 0.851 20 5 FCBDHN C[C@@H]1CC[NH2+]CC[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980073 490510474 /nfs/dbraw/zinc/51/04/74/490510474.db2.gz KRMDBAGIOYDDJW-CHWSQXEVSA-N 0 3 356.448 0.851 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413916771 490516408 /nfs/dbraw/zinc/51/64/08/490516408.db2.gz JIRVLHVESISCBR-JTQLQIEISA-N 0 3 361.358 0.648 20 5 FCBDHN C[C@@H](C[C@H]1COCCN1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034871 490525831 /nfs/dbraw/zinc/52/58/31/490525831.db2.gz IRABTKKMBUPLEJ-STQMWFEESA-N 0 3 357.432 0.725 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548714566 490534860 /nfs/dbraw/zinc/53/48/60/490534860.db2.gz QSBQSWOXHGGHFR-LBPRGKRZSA-N 0 3 350.423 0.575 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000485625010 490549938 /nfs/dbraw/zinc/54/99/38/490549938.db2.gz IKZIEUCUNVYJFU-CQSZACIVSA-N 0 3 363.418 0.850 20 5 FCBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000502855166 490725419 /nfs/dbraw/zinc/72/54/19/490725419.db2.gz JVWLKIFAKRHTDX-ZJUUUORDSA-N 0 3 364.358 0.766 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)c1F ZINC000514873380 490794963 /nfs/dbraw/zinc/79/49/63/490794963.db2.gz YUZPTCRHOTXYMN-JTQLQIEISA-N 0 3 370.381 0.468 20 5 FCBDHN CS[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000540296947 490814343 /nfs/dbraw/zinc/81/43/43/490814343.db2.gz IGWWLDORHPAXFQ-NWDGAFQWSA-N 0 3 360.461 0.724 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000505630080 490835515 /nfs/dbraw/zinc/83/55/15/490835515.db2.gz FHLRIPKRRFVABO-UHFFFAOYSA-N 0 3 364.402 0.886 20 5 FCBDHN CC1(C)C(=O)N[C@H]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517069048 490893911 /nfs/dbraw/zinc/89/39/11/490893911.db2.gz TWWWHHMSRJKKPK-KBPBESRZSA-N 0 3 351.407 0.389 20 5 FCBDHN Cc1nn(CCC(=O)N(CCN(C)C)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000530879912 490929730 /nfs/dbraw/zinc/92/97/30/490929730.db2.gz GPXJAYIXNBBVHN-UHFFFAOYSA-N 0 3 354.455 0.750 20 5 FCBDHN CCS(=O)(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000518171337 490931827 /nfs/dbraw/zinc/93/18/27/490931827.db2.gz WBUDJTFXUKGVPO-CQSZACIVSA-N 0 3 368.415 0.736 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000543838308 490948968 /nfs/dbraw/zinc/94/89/68/490948968.db2.gz DLOQPOKHUVNWPF-HNNXBMFYSA-N 0 3 359.386 0.674 20 5 FCBDHN CN(C(=O)CN[C@@H](CC(N)=O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000544455622 490969155 /nfs/dbraw/zinc/96/91/55/490969155.db2.gz TVHDBKNVXGXNOJ-HNNXBMFYSA-N 0 3 364.402 0.818 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000569716662 491184540 /nfs/dbraw/zinc/18/45/40/491184540.db2.gz RSXJFGOPWCUWAN-IRXDYDNUSA-N 0 3 361.402 0.831 20 5 FCBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000572511765 491375545 /nfs/dbraw/zinc/37/55/45/491375545.db2.gz QHGUDZOHAKQMHD-LLVKDONJSA-N 0 3 369.374 0.347 20 5 FCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000566067105 491415435 /nfs/dbraw/zinc/41/54/35/491415435.db2.gz GSZHFAASAWZFCT-UHFFFAOYSA-N 0 3 368.357 0.923 20 5 FCBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000573358435 491428627 /nfs/dbraw/zinc/42/86/27/491428627.db2.gz ONABVMLHURXACF-AWEZNQCLSA-N 0 3 360.370 0.749 20 5 FCBDHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000566455376 491445051 /nfs/dbraw/zinc/44/50/51/491445051.db2.gz MQLOYSRLYIWYMQ-MRXNPFEDSA-N 0 3 353.350 0.929 20 5 FCBDHN COc1cc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000566490928 491447525 /nfs/dbraw/zinc/44/75/25/491447525.db2.gz LVTDDXXMIHSVEB-RYUDHWBXSA-N 0 3 350.375 0.356 20 5 FCBDHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573685044 491448468 /nfs/dbraw/zinc/44/84/68/491448468.db2.gz ZEBSCJCEOBJLIX-VXGBXAGGSA-N 0 3 370.431 0.507 20 5 FCBDHN C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566856311 491471871 /nfs/dbraw/zinc/47/18/71/491471871.db2.gz WHRNFFJFBAIOFW-NWDGAFQWSA-N 0 3 370.431 0.601 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000567675050 491522276 /nfs/dbraw/zinc/52/22/76/491522276.db2.gz YQWQIKWFNNQGAN-GHMZBOCLSA-N 0 3 368.415 0.366 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN2C1=O ZINC000568415303 491575696 /nfs/dbraw/zinc/57/56/96/491575696.db2.gz NVGVUORUHVMIKO-VXNVDRBHSA-N 0 3 356.180 0.501 20 5 FCBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000568571064 491588122 /nfs/dbraw/zinc/58/81/22/491588122.db2.gz SVOCNYHSXWDXJO-UHFFFAOYSA-N 0 3 350.423 0.720 20 5 FCBDHN CN1CCC(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000561620386 491621247 /nfs/dbraw/zinc/62/12/47/491621247.db2.gz FOVSKADLLHQJDV-UHFFFAOYSA-N 0 3 358.402 1.408 20 5 FCBDHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000569121074 491635770 /nfs/dbraw/zinc/63/57/70/491635770.db2.gz BBGXNVYTFYEFOB-VXGBXAGGSA-N 0 3 363.374 0.057 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000562144765 491654849 /nfs/dbraw/zinc/65/48/49/491654849.db2.gz NEEVHHWGGCWXGG-UHFFFAOYSA-N 0 3 352.391 0.790 20 5 FCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000562195041 491659198 /nfs/dbraw/zinc/65/91/98/491659198.db2.gz QUSYOBDNQGIWCC-UHFFFAOYSA-N 0 3 364.406 0.294 20 5 FCBDHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579344640 491695902 /nfs/dbraw/zinc/69/59/02/491695902.db2.gz JYNYEUYWHSORDQ-YPMHNXCESA-N 0 3 361.420 0.252 20 5 FCBDHN Cn1cc(C[C@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000580194364 491721028 /nfs/dbraw/zinc/72/10/28/491721028.db2.gz KKOKPLMUAYMIDQ-KGLIPLIRSA-N 0 3 350.375 0.261 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000588224626 491742332 /nfs/dbraw/zinc/74/23/32/491742332.db2.gz ZIWSTGVBKLHLTR-GHMZBOCLSA-N 0 3 374.401 0.686 20 5 FCBDHN O=C(NCCCNCc1cccnc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582410586 491811177 /nfs/dbraw/zinc/81/11/77/491811177.db2.gz DLZSQPAGEIHEGU-UHFFFAOYSA-N 0 3 371.397 0.902 20 5 FCBDHN CC1(C)CN[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591672093 491817845 /nfs/dbraw/zinc/81/78/45/491817845.db2.gz AXQFNMQMIJKTEE-CYBMUJFWSA-N 0 3 370.431 0.524 20 5 FCBDHN C[C@H](N)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 ZINC000592306613 491835429 /nfs/dbraw/zinc/83/54/29/491835429.db2.gz CTNPUMCKYJSZMP-TVQRCGJNSA-N 0 3 357.388 0.187 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000601434538 491918740 /nfs/dbraw/zinc/91/87/40/491918740.db2.gz RPVHVOCBBUEDAZ-UHFFFAOYSA-N 0 3 357.436 0.393 20 5 FCBDHN COc1ccc(CC(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000597693880 492059961 /nfs/dbraw/zinc/05/99/61/492059961.db2.gz GJHNLDCOXCTRRH-UHFFFAOYSA-N 0 3 362.430 0.852 20 5 FCBDHN CCC[N@@H+]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342350 492095541 /nfs/dbraw/zinc/09/55/41/492095541.db2.gz MLKJVDDQGJBXJF-LBPRGKRZSA-N 0 3 370.431 0.474 20 5 FCBDHN CCC[N@H+]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342350 492095542 /nfs/dbraw/zinc/09/55/42/492095542.db2.gz MLKJVDDQGJBXJF-LBPRGKRZSA-N 0 3 370.431 0.474 20 5 FCBDHN CCC[N@@H+]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342343 492095626 /nfs/dbraw/zinc/09/56/26/492095626.db2.gz MLKJVDDQGJBXJF-GFCCVEGCSA-N 0 3 370.431 0.474 20 5 FCBDHN CCC[N@H+]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342343 492095627 /nfs/dbraw/zinc/09/56/27/492095627.db2.gz MLKJVDDQGJBXJF-GFCCVEGCSA-N 0 3 370.431 0.474 20 5 FCBDHN COCCCN(C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598598611 492107258 /nfs/dbraw/zinc/10/72/58/492107258.db2.gz GJDGNQODVJJMBE-UHFFFAOYSA-N 0 3 354.411 0.602 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN2CCCO)ncnc1N1CCOCC1 ZINC000598627652 492110241 /nfs/dbraw/zinc/11/02/41/492110241.db2.gz IQQFIQMVORCJOR-CYBMUJFWSA-N 0 3 366.422 0.480 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598721543 492116021 /nfs/dbraw/zinc/11/60/21/492116021.db2.gz XCCFWDGMZGJDNB-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599759543 492205608 /nfs/dbraw/zinc/20/56/08/492205608.db2.gz DKBHAUHZWSKLFV-MRXNPFEDSA-N 0 3 363.349 0.716 20 5 FCBDHN CN1CCC(O)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610145495 492235993 /nfs/dbraw/zinc/23/59/93/492235993.db2.gz KKCKYRRBUZKPBZ-UHFFFAOYSA-N 0 3 352.391 0.730 20 5 FCBDHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420490 492245118 /nfs/dbraw/zinc/24/51/18/492245118.db2.gz WPSJUONIGJBCNV-CYBMUJFWSA-N 0 3 356.448 0.823 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611521028 492289516 /nfs/dbraw/zinc/28/95/16/492289516.db2.gz BQFSFNNBXTVEME-IUODEOHRSA-N 0 3 374.397 0.873 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161404743 534346099 /nfs/dbraw/zinc/34/60/99/534346099.db2.gz WEXOGBPSJFLMGB-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN CCS(=O)(=O)N1CC(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000438909194 535663370 /nfs/dbraw/zinc/66/33/70/535663370.db2.gz XNFXRUHFJYIQDM-UHFFFAOYSA-N 0 3 373.431 0.983 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000444260778 535999362 /nfs/dbraw/zinc/99/93/62/535999362.db2.gz BZWHGPVHHOJZQL-UHFFFAOYSA-N 0 3 366.422 0.410 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000444260778 535999363 /nfs/dbraw/zinc/99/93/63/535999363.db2.gz BZWHGPVHHOJZQL-UHFFFAOYSA-N 0 3 366.422 0.410 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000592366681 546948268 /nfs/dbraw/zinc/94/82/68/546948268.db2.gz BQZLWLZIKAKUKW-JTQLQIEISA-N 0 3 357.388 0.786 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592492533 546951449 /nfs/dbraw/zinc/95/14/49/546951449.db2.gz SHNRXPQDIHUMKG-AWEZNQCLSA-N 0 3 350.375 0.679 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544655 546953084 /nfs/dbraw/zinc/95/30/84/546953084.db2.gz FHXMAERKBCVVNV-RYUDHWBXSA-N 0 3 368.415 0.084 20 5 FCBDHN C[C@@H]1[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000592787252 546956884 /nfs/dbraw/zinc/95/68/84/546956884.db2.gz KSOLBKHMEXBXCD-BXUZGUMPSA-N 0 3 355.416 0.825 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594008637 546995306 /nfs/dbraw/zinc/99/53/06/546995306.db2.gz XPNJOUURLPWUON-AWEZNQCLSA-N 0 3 353.423 0.051 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823651971 599298052 /nfs/dbraw/zinc/29/80/52/599298052.db2.gz UIMVKLWVMWPRSS-UHFFFAOYSA-N 0 3 353.346 0.892 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823651971 599298055 /nfs/dbraw/zinc/29/80/55/599298055.db2.gz UIMVKLWVMWPRSS-UHFFFAOYSA-N 0 3 353.346 0.892 20 5 FCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)N2CCCCC2)CC1 ZINC001005379547 667739172 /nfs/dbraw/zinc/73/91/72/667739172.db2.gz VDPPLZMDNKPFJT-HUUCEWRRSA-N 0 3 352.435 0.587 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813111268 669828224 /nfs/dbraw/zinc/82/82/24/669828224.db2.gz QNNAGVPPAAQFED-SNVBAGLBSA-N 0 3 358.372 0.371 20 5 FCBDHN CC[N@H+](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033642 669896412 /nfs/dbraw/zinc/89/64/12/669896412.db2.gz NVPAAFBCTQQQRK-UHFFFAOYSA-N 0 3 369.802 0.980 20 5 FCBDHN CC[N@@H+](CCO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033642 669896417 /nfs/dbraw/zinc/89/64/17/669896417.db2.gz NVPAAFBCTQQQRK-UHFFFAOYSA-N 0 3 369.802 0.980 20 5 FCBDHN CC([C@H](OC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845880560 671045153 /nfs/dbraw/zinc/04/51/53/671045153.db2.gz IBIFCMBREDOQIJ-PELKAZGASA-N 0 3 351.294 0.466 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869260616 672427105 /nfs/dbraw/zinc/42/71/05/672427105.db2.gz HLFTZKJPKVXYGS-UHFFFAOYSA-N 0 3 354.382 0.755 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cscn1 ZINC001055543580 676023404 /nfs/dbraw/zinc/02/34/04/676023404.db2.gz CXFMKPLFVMHTLS-DGCLKSJQSA-N 0 3 367.431 0.119 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CN(CCCN1CCCC1=O)C2 ZINC001017547545 675413059 /nfs/dbraw/zinc/41/30/59/675413059.db2.gz GOUVPDLSGAGYQZ-LXTVHRRPSA-N 0 3 350.419 0.339 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2cnn(-c3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064699 1170558561 /nfs/dbraw/zinc/55/85/61/1170558561.db2.gz LEEZACSVJHTCSF-NOXHYTERSA-N 0 3 356.386 0.669 20 5 FCBDHN O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974109900 1182998180 /nfs/dbraw/zinc/99/81/80/1182998180.db2.gz JUTDQNCTUHTBKN-KVQFHVITSA-N 0 3 361.402 0.260 20 5 FCBDHN CCCCOCCNCc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235768 1183150028 /nfs/dbraw/zinc/15/00/28/1183150028.db2.gz RNFXSJCJBHKZRR-HUUCEWRRSA-N 0 3 366.422 0.233 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976484550 1185958437 /nfs/dbraw/zinc/95/84/37/1185958437.db2.gz UDPYMFRRJDSBDN-RGDJUOJXSA-N 0 3 362.386 0.193 20 5 FCBDHN CC(C)CC(=O)N1CCC(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001030292561 1196621446 /nfs/dbraw/zinc/62/14/46/1196621446.db2.gz OLXWSGPMBUNAOK-HZPDHXFCSA-N 0 3 366.462 0.737 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084246 1198143929 /nfs/dbraw/zinc/14/39/29/1198143929.db2.gz JGRQKOPLRAMRLE-AYRXBEOTSA-N 0 3 371.401 0.312 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)n1 ZINC000866213563 1209993860 /nfs/dbraw/zinc/99/38/60/1209993860.db2.gz SJNVTMONRJOYKT-UHFFFAOYSA-N 0 3 363.418 0.993 20 5 FCBDHN O=C(CCc1c[nH]cn1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952734423 1212974869 /nfs/dbraw/zinc/97/48/69/1212974869.db2.gz JMCXRQWDNCFMLV-LXTVHRRPSA-N 0 3 361.402 0.599 20 5 FCBDHN Cn1nnc(CN2CCC3(CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC000957548023 1213320548 /nfs/dbraw/zinc/32/05/48/1213320548.db2.gz XKNKGVSGTLIRAR-CHWSQXEVSA-N 0 3 363.422 0.080 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2nnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139919 1214314441 /nfs/dbraw/zinc/31/44/41/1214314441.db2.gz RFVMAKKAKZUIDW-HBJVGIJOSA-N 0 3 357.374 0.064 20 5 FCBDHN COc1cncc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001050516527 1216328284 /nfs/dbraw/zinc/32/82/84/1216328284.db2.gz DYNBMTJBHXONJZ-ZIAGYGMSSA-N 0 3 361.402 0.575 20 5 FCBDHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cnn(C)c2)CC1 ZINC001151121017 1222915858 /nfs/dbraw/zinc/91/58/58/1222915858.db2.gz ATGIUQDOIUJRJI-HUUCEWRRSA-N 0 3 365.434 0.573 20 5 FCBDHN CCCNC(=O)CN1CCC(CCOC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001151121698 1222916107 /nfs/dbraw/zinc/91/61/07/1222916107.db2.gz QWYWHYQHPSDXTI-ZIAGYGMSSA-N 0 3 370.450 0.165 20 5 FCBDHN O=C(CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001160098191 1223145403 /nfs/dbraw/zinc/14/54/03/1223145403.db2.gz WNEJFPKBLMKPFU-HZPDHXFCSA-N 0 3 364.446 0.706 20 5 FCBDHN CCn1nnc(C)c1CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160097855 1223145544 /nfs/dbraw/zinc/14/55/44/1223145544.db2.gz MCXLJFCDJGJKHS-HUUCEWRRSA-N 0 3 362.434 0.910 20 5 FCBDHN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2nocc2C)CC1 ZINC001162264199 1223212338 /nfs/dbraw/zinc/21/23/38/1223212338.db2.gz FXUKGCBMQGWKAY-UKRRQHHQSA-N 0 3 366.418 0.993 20 5 FCBDHN COc1cccc(CN2CCC(NC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC000918653708 1245581492 /nfs/dbraw/zinc/58/14/92/1245581492.db2.gz SZLDUKRMQCZALZ-UHFFFAOYSA-N 0 3 374.401 0.976 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001327974381 1265465044 /nfs/dbraw/zinc/46/50/44/1265465044.db2.gz QXCURQRVJZNCJW-CYBMUJFWSA-N 0 3 364.402 0.820 20 5 FCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001005376972 1253538061 /nfs/dbraw/zinc/53/80/61/1253538061.db2.gz XWSDIEISCCKLAZ-HZPDHXFCSA-N 0 3 366.462 0.977 20 5 FCBDHN COc1ncc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001005378400 1253538837 /nfs/dbraw/zinc/53/88/37/1253538837.db2.gz KFMUQUAUUUSBLV-HUUCEWRRSA-N 0 3 363.418 0.882 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001261492196 1260149873 /nfs/dbraw/zinc/14/98/73/1260149873.db2.gz UQDGKQVRFQEOCD-CYBMUJFWSA-N 0 3 361.358 0.982 20 5 FCBDHN CN1CCN(C2CCN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC2)CC1 ZINC001345150160 1261641684 /nfs/dbraw/zinc/64/16/84/1261641684.db2.gz CLJIDHHAKKNRMZ-UHFFFAOYSA-N 0 3 363.466 0.681 20 5 FCBDHN C[N@H+](CCc1cccc(-c2nnn[n-]2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231285 1277038182 /nfs/dbraw/zinc/03/81/82/1277038182.db2.gz AAOOEKLMWUPIRC-HNNXBMFYSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@@H+](CCc1cccc(-c2nnn[n-]2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231285 1277038196 /nfs/dbraw/zinc/03/81/96/1277038196.db2.gz AAOOEKLMWUPIRC-HNNXBMFYSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@H+](CCc1cccc(-c2nn[n-]n2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231285 1277038197 /nfs/dbraw/zinc/03/81/97/1277038197.db2.gz AAOOEKLMWUPIRC-HNNXBMFYSA-N 0 3 372.389 0.507 20 5 FCBDHN C[N@@H+](CCc1cccc(-c2nn[n-]n2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001579231285 1277038198 /nfs/dbraw/zinc/03/81/98/1277038198.db2.gz AAOOEKLMWUPIRC-HNNXBMFYSA-N 0 3 372.389 0.507 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CCO2 ZINC001579350622 1277206236 /nfs/dbraw/zinc/20/62/36/1277206236.db2.gz GSZDAAWVLUUCJJ-UHFFFAOYSA-N 0 3 374.405 0.658 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CCO2 ZINC001579350622 1277206238 /nfs/dbraw/zinc/20/62/38/1277206238.db2.gz GSZDAAWVLUUCJJ-UHFFFAOYSA-N 0 3 374.405 0.658 20 5 FCBDHN COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC001591597629 1284761681 /nfs/dbraw/zinc/76/16/81/1284761681.db2.gz BVEIZGOEUPSZFD-GFCCVEGCSA-N 0 3 374.361 0.131 20 5 FCBDHN COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001591597629 1284761685 /nfs/dbraw/zinc/76/16/85/1284761685.db2.gz BVEIZGOEUPSZFD-GFCCVEGCSA-N 0 3 374.361 0.131 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001607080802 1288652403 /nfs/dbraw/zinc/65/24/03/1288652403.db2.gz PHKPFXISSVKLAU-ZDUSSCGKSA-N 0 3 374.405 0.907 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001607080802 1288652410 /nfs/dbraw/zinc/65/24/10/1288652410.db2.gz PHKPFXISSVKLAU-ZDUSSCGKSA-N 0 3 374.405 0.907 20 5 FCBDHN CN(CC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001689651618 1294819246 /nfs/dbraw/zinc/81/92/46/1294819246.db2.gz YYHDIDUIPIXVMI-HZPDHXFCSA-N 0 3 360.414 0.453 20 5 FCBDHN CC/C=C\CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131353950 849096178 /nfs/dbraw/zinc/09/61/78/849096178.db2.gz JYVVMIZEDOJZIR-LPUOJRKPSA-N 0 3 352.435 0.658 20 5 FCBDHN CCN(CC)C(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160097444 850154179 /nfs/dbraw/zinc/15/41/79/850154179.db2.gz JFNXXKDXUWZDIT-HUUCEWRRSA-N 0 3 352.435 0.658 20 5 FCBDHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[C@@H]1N1CCN(C)CC1 ZINC001253921990 857927758 /nfs/dbraw/zinc/92/77/58/857927758.db2.gz BOAMMMHHPCPKRM-OLZOCXBDSA-N 0 3 350.423 0.426 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCOCC1 ZINC001308640623 866717160 /nfs/dbraw/zinc/71/71/60/866717160.db2.gz BZZQBXMZNFAUFD-LBPRGKRZSA-N 0 3 350.375 0.760 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001326583353 870394887 /nfs/dbraw/zinc/39/48/87/870394887.db2.gz HKJJICNAFWOENQ-AWEZNQCLSA-N 0 3 353.375 0.819 20 5 FCBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294862939 214267242 /nfs/dbraw/zinc/26/72/42/214267242.db2.gz CIFCVPSBSGIUGS-LBPRGKRZSA-N 0 3 372.447 0.762 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000265894491 210245401 /nfs/dbraw/zinc/24/54/01/210245401.db2.gz MMNLJWURXBSIJC-UHFFFAOYSA-N 0 3 350.375 0.415 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297682569 214427306 /nfs/dbraw/zinc/42/73/06/214427306.db2.gz ASMWMEQYEPWNQU-UHFFFAOYSA-N 0 3 363.418 0.263 20 5 FCBDHN CCN(CC)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265633356 210182849 /nfs/dbraw/zinc/18/28/49/210182849.db2.gz PWPRKCPEWBAFRR-UHFFFAOYSA-N 0 3 359.404 0.986 20 5 FCBDHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)(N2CCOCC2)CC1 ZINC000413883039 530049463 /nfs/dbraw/zinc/04/94/63/530049463.db2.gz QQWGTVLJVDGTIX-UHFFFAOYSA-N 0 3 351.407 0.449 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000265372973 210109430 /nfs/dbraw/zinc/10/94/30/210109430.db2.gz OQHQVTPPIIGEBG-IUODEOHRSA-N 0 3 364.402 0.502 20 5 FCBDHN CCN1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000264925819 210017033 /nfs/dbraw/zinc/01/70/33/210017033.db2.gz QYDZUSRCGFRUHQ-UHFFFAOYSA-N 0 3 373.417 0.543 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000262755257 209653083 /nfs/dbraw/zinc/65/30/83/209653083.db2.gz PGKHHYLANWWJIJ-SNVBAGLBSA-N 0 3 357.388 0.644 20 5 FCBDHN CN1CCN(CC2(C)CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000368220992 216219816 /nfs/dbraw/zinc/21/98/16/216219816.db2.gz MXQQHEOXECNFJZ-UHFFFAOYSA-N 0 3 350.423 0.808 20 5 FCBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000237767951 209356669 /nfs/dbraw/zinc/35/66/69/209356669.db2.gz MRVGHMWLUVZGRK-UHFFFAOYSA-N 0 3 362.839 0.822 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000369116526 216350885 /nfs/dbraw/zinc/35/08/85/216350885.db2.gz LDERFXZPRXBDMJ-CABCVRRESA-N 0 3 372.385 0.769 20 5 FCBDHN O=Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150139 216355296 /nfs/dbraw/zinc/35/52/96/216355296.db2.gz HMPCGBJSZYQRTK-ZIAGYGMSSA-N 0 3 363.370 0.766 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000276860257 212299668 /nfs/dbraw/zinc/29/96/68/212299668.db2.gz KEOYSMFPXCMWSW-UHFFFAOYSA-N 0 3 366.374 0.648 20 5 FCBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186674713 209194630 /nfs/dbraw/zinc/19/46/30/209194630.db2.gz KHIBYQSGPHEVJX-LBPRGKRZSA-N 0 3 372.385 0.508 20 5 FCBDHN CC[NH2+][C@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417679853 245713626 /nfs/dbraw/zinc/71/36/26/245713626.db2.gz MFCBJNVKADBYOE-LLVKDONJSA-N 0 3 373.435 0.170 20 5 FCBDHN C[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1CN ZINC000419346887 246109867 /nfs/dbraw/zinc/10/98/67/246109867.db2.gz JDAIGZQMAHYOQJ-IINYFYTJSA-N 0 3 374.401 0.673 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000419457285 246171375 /nfs/dbraw/zinc/17/13/75/246171375.db2.gz VWPKLTQYSFTYCT-UHFFFAOYSA-N 0 3 363.418 0.643 20 5 FCBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423950837 247154349 /nfs/dbraw/zinc/15/43/49/247154349.db2.gz OHKPXNORANTTIK-LBPRGKRZSA-N 0 3 356.404 0.069 20 5 FCBDHN COc1ccc(CSCC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986251 247156126 /nfs/dbraw/zinc/15/61/26/247156126.db2.gz FOXRQZZNVHYHBX-LBPRGKRZSA-N 0 3 355.416 0.941 20 5 FCBDHN CC1(C)CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000423702743 247115843 /nfs/dbraw/zinc/11/58/43/247115843.db2.gz ASVDDCWEOSMRMC-UHFFFAOYSA-N 0 3 356.404 0.084 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424397600 247206912 /nfs/dbraw/zinc/20/69/12/247206912.db2.gz ZOBCINLEFQWADE-UONOGXRCSA-N 0 3 365.415 0.752 20 5 FCBDHN [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424216112 247177628 /nfs/dbraw/zinc/17/76/28/247177628.db2.gz HTPOSWQZGJVUEU-GHMZBOCLSA-N 0 3 356.404 0.259 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452353861 249309554 /nfs/dbraw/zinc/30/95/54/249309554.db2.gz UZOZZBQOUBMKGH-GFCCVEGCSA-N 0 3 365.386 0.943 20 5 FCBDHN CN(CC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452364513 249311452 /nfs/dbraw/zinc/31/14/52/249311452.db2.gz MTEVEGHGOWMOGW-AWEZNQCLSA-N 0 3 350.419 0.994 20 5 FCBDHN CCOC(=O)c1cc(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000269899717 211112139 /nfs/dbraw/zinc/11/21/39/211112139.db2.gz LXUYURILQCVRLL-MRXNPFEDSA-N 0 3 353.375 0.814 20 5 FCBDHN O=C(CC1CC[NH2+]CC1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269209314 210928003 /nfs/dbraw/zinc/92/80/03/210928003.db2.gz GGYMJHKXVFWCPQ-UHFFFAOYSA-N 0 3 370.431 0.379 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000268847639 210874324 /nfs/dbraw/zinc/87/43/24/210874324.db2.gz PZNSNZURRPGYSG-ZDUSSCGKSA-N 0 3 360.374 0.874 20 5 FCBDHN CCCc1n[n-]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000109702654 208259455 /nfs/dbraw/zinc/25/94/55/208259455.db2.gz RAKPNSBQTHTUQW-UHFFFAOYSA-N 0 3 366.422 0.553 20 5 FCBDHN CN1CCC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266187563 210300165 /nfs/dbraw/zinc/30/01/65/210300165.db2.gz WDNBXYMAJHFOMV-UHFFFAOYSA-N 0 3 370.431 0.331 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915099 533487192 /nfs/dbraw/zinc/48/71/92/533487192.db2.gz YOVWZEQWQHRSQI-DZGCQCFKSA-N 0 3 367.402 0.371 20 5 FCBDHN CC(C)N(C)C(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075638097 488398005 /nfs/dbraw/zinc/39/80/05/488398005.db2.gz FOKUYWBRLFVXJE-HNNXBMFYSA-N 0 3 353.423 0.731 20 5 FCBDHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000569845311 491198314 /nfs/dbraw/zinc/19/83/14/491198314.db2.gz GWQSBRJKMFOTGU-RYUDHWBXSA-N 0 3 370.431 0.377 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000268976178 488460207 /nfs/dbraw/zinc/46/02/07/488460207.db2.gz NOIYJHHGTLGZRQ-LLVKDONJSA-N 0 3 350.379 0.005 20 5 FCBDHN CCC(CC)(C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261635818 488528560 /nfs/dbraw/zinc/52/85/60/488528560.db2.gz DHJBQSSHVKRYKX-UHFFFAOYSA-N 0 3 372.447 0.754 20 5 FCBDHN CCC[C@@](C)(N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262096848 488550011 /nfs/dbraw/zinc/55/00/11/488550011.db2.gz BQJOOWCFTMUSMJ-CQSZACIVSA-N 0 3 358.420 0.507 20 5 FCBDHN CN(C)CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000121240246 488565673 /nfs/dbraw/zinc/56/56/73/488565673.db2.gz DITFMXBLPBWXEX-UHFFFAOYSA-N 0 3 359.452 0.408 20 5 FCBDHN O=C(C[C@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262623950 488582483 /nfs/dbraw/zinc/58/24/83/488582483.db2.gz IBEJZEZWQKYZNH-LLVKDONJSA-N 0 3 356.404 0.131 20 5 FCBDHN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000272844382 488610786 /nfs/dbraw/zinc/61/07/86/488610786.db2.gz HBWUGOAWPKXQAS-LLVKDONJSA-N 0 3 350.375 0.952 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272939534 488619041 /nfs/dbraw/zinc/61/90/41/488619041.db2.gz INMLUNDVDCRSPX-AWEZNQCLSA-N 0 3 358.782 0.616 20 5 FCBDHN CCN(C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263727774 488622515 /nfs/dbraw/zinc/62/25/15/488622515.db2.gz MOXMFZAGLJGTHV-UHFFFAOYSA-N 0 3 373.435 0.124 20 5 FCBDHN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000570060447 491213013 /nfs/dbraw/zinc/21/30/13/491213013.db2.gz VFIOBNQBTADGDZ-SECBINFHSA-N 0 3 374.344 0.992 20 5 FCBDHN Cc1n[nH]c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263961438 488639069 /nfs/dbraw/zinc/63/90/69/488639069.db2.gz PZEMRKMQUXFLHE-LLVKDONJSA-N 0 3 352.395 0.299 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000264436855 488673738 /nfs/dbraw/zinc/67/37/38/488673738.db2.gz CVVPWHUDPXLVQQ-CYBMUJFWSA-N 0 3 350.375 0.162 20 5 FCBDHN C[C@@H]([NH3+])C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000563141052 491220506 /nfs/dbraw/zinc/22/05/06/491220506.db2.gz ACABNXSHJJWLNU-LLVKDONJSA-N 0 3 370.431 0.459 20 5 FCBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071752 488758651 /nfs/dbraw/zinc/75/86/51/488758651.db2.gz AJUFGVUNBXVIDD-ONGXEEELSA-N 0 3 365.312 0.153 20 5 FCBDHN O=C1CCCCN1CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173439674 488842760 /nfs/dbraw/zinc/84/27/60/488842760.db2.gz ISRLAROPCUUNRA-MRXNPFEDSA-N 0 3 365.434 0.877 20 5 FCBDHN CN(CCn1cc(Br)cn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000288779900 489014695 /nfs/dbraw/zinc/01/46/95/489014695.db2.gz KHFZQGYXNFYFEX-GFCCVEGCSA-N 0 3 373.211 0.743 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@]2(O)CN3CCC2CC3)c1F ZINC000563399729 491242276 /nfs/dbraw/zinc/24/22/76/491242276.db2.gz ZHCLOJLBIPBNOX-KRWDZBQOSA-N 0 3 367.377 0.858 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298028743 489279793 /nfs/dbraw/zinc/27/97/93/489279793.db2.gz BMJLDOIJGZXNLF-UHFFFAOYSA-N 0 3 358.782 0.617 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563449667 491248246 /nfs/dbraw/zinc/24/82/46/491248246.db2.gz ZKXCGPGOKJMYTG-VXGBXAGGSA-N 0 3 363.374 0.769 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000570570123 491250481 /nfs/dbraw/zinc/25/04/81/491250481.db2.gz PIWFCGBHFFPYHJ-AWEZNQCLSA-N 0 3 360.374 0.888 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363539739 489477316 /nfs/dbraw/zinc/47/73/16/489477316.db2.gz OFKWUWGQCGRGGK-CYBMUJFWSA-N 0 3 350.423 0.489 20 5 FCBDHN N[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000423088633 489491982 /nfs/dbraw/zinc/49/19/82/489491982.db2.gz QKXYDJWMMPORGJ-ZDUSSCGKSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CNC1 ZINC000415749015 489549999 /nfs/dbraw/zinc/54/99/99/489549999.db2.gz YIPBQVJHFOHTNT-UHFFFAOYSA-N 0 3 350.331 0.125 20 5 FCBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000426886316 489585857 /nfs/dbraw/zinc/58/58/57/489585857.db2.gz KXDAJVWMTJHNHZ-AWEZNQCLSA-N 0 3 363.374 0.731 20 5 FCBDHN CC1CCN(C[C@H](O)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000427387036 489605297 /nfs/dbraw/zinc/60/52/97/489605297.db2.gz NBSIELZHMGGCSP-CQSZACIVSA-N 0 3 372.447 0.747 20 5 FCBDHN CN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)C1 ZINC000372859190 489645178 /nfs/dbraw/zinc/64/51/78/489645178.db2.gz QIBHAACLCCWWCR-HZPDHXFCSA-N 0 3 356.382 0.971 20 5 FCBDHN CCn1cc(S(=O)(=O)[N-]C[C@H](C)N2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000469128667 489691499 /nfs/dbraw/zinc/69/14/99/489691499.db2.gz DSDZONXUFPISHM-LBPRGKRZSA-N 0 3 374.467 0.116 20 5 FCBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CNCCO1 ZINC000418797569 489729176 /nfs/dbraw/zinc/72/91/76/489729176.db2.gz AJTJMPBWFIIOEL-LBPRGKRZSA-N 0 3 370.793 0.012 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)C2(N)CCC2)c([N+](=O)[O-])c1 ZINC000563884062 491275075 /nfs/dbraw/zinc/27/50/75/491275075.db2.gz BAVQSQRJAOCFFQ-UHFFFAOYSA-N 0 3 356.404 0.408 20 5 FCBDHN CN1CCC(CCO)(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000474197556 489746094 /nfs/dbraw/zinc/74/60/94/489746094.db2.gz MBFADBBHMVGPJN-UHFFFAOYSA-N 0 3 364.402 0.288 20 5 FCBDHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)nc1 ZINC000476183444 489871334 /nfs/dbraw/zinc/87/13/34/489871334.db2.gz ZAUGUMREEJIGAJ-UHFFFAOYSA-N 0 3 373.417 0.747 20 5 FCBDHN CN(C)CCOC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000476189787 489871892 /nfs/dbraw/zinc/87/18/92/489871892.db2.gz BKXBDNHJAGDPLD-UHFFFAOYSA-N 0 3 372.447 0.789 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000433373646 489880215 /nfs/dbraw/zinc/88/02/15/489880215.db2.gz SMTNJJOLJDYFAV-UHFFFAOYSA-N 0 3 362.477 0.881 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476384017 489883811 /nfs/dbraw/zinc/88/38/11/489883811.db2.gz AABFRQKYEVBBDX-UHFFFAOYSA-N 0 3 352.395 0.001 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000476664134 489907962 /nfs/dbraw/zinc/90/79/62/489907962.db2.gz UFVGLZAQVPHTDY-CQSZACIVSA-N 0 3 359.386 0.825 20 5 FCBDHN COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000420461047 489981304 /nfs/dbraw/zinc/98/13/04/489981304.db2.gz LMROZZWLEHLKRO-VIFPVBQESA-N 0 3 367.330 0.642 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@]2(F)CCNC2)c([N+](=O)[O-])c1 ZINC000378208031 490028474 /nfs/dbraw/zinc/02/84/74/490028474.db2.gz LHCZKIDMRFOJCZ-AWEZNQCLSA-N 0 3 374.394 0.228 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCCS(=O)(=O)c2ccccc2)c1 ZINC000519818101 490091039 /nfs/dbraw/zinc/09/10/39/490091039.db2.gz KDOLUNXHEFOSDW-AWEZNQCLSA-N 0 3 368.415 0.606 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000479737923 490119264 /nfs/dbraw/zinc/11/92/64/490119264.db2.gz ABTIVPYENFSGQV-LBPRGKRZSA-N 0 3 362.386 0.686 20 5 FCBDHN CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422032322 490129872 /nfs/dbraw/zinc/12/98/72/490129872.db2.gz FGKFNRLBVDXVOJ-GFCCVEGCSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(C[C@H]1CCC[N@H+]1C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422032322 490129879 /nfs/dbraw/zinc/12/98/79/490129879.db2.gz FGKFNRLBVDXVOJ-GFCCVEGCSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(C)S(=O)(=O)c1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000545874754 490161830 /nfs/dbraw/zinc/16/18/30/490161830.db2.gz SCUZPHANIJMGFR-CQSZACIVSA-N 0 3 358.420 0.324 20 5 FCBDHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1OC ZINC000522013664 490326503 /nfs/dbraw/zinc/32/65/03/490326503.db2.gz HRJHLFIDBXDAKR-SNVBAGLBSA-N 0 3 368.390 0.408 20 5 FCBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000522288668 490365194 /nfs/dbraw/zinc/36/51/94/490365194.db2.gz VPYANXQJERFBCG-UHFFFAOYSA-N 0 3 369.422 0.982 20 5 FCBDHN COc1cc(OCC(=O)NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000522923747 490417619 /nfs/dbraw/zinc/41/76/19/490417619.db2.gz FAPMVWWBVRMIEG-UHFFFAOYSA-N 0 3 367.402 0.945 20 5 FCBDHN CN(C)CCOC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000484669806 490454805 /nfs/dbraw/zinc/45/48/05/490454805.db2.gz MECGULBCWTYOGT-UHFFFAOYSA-N 0 3 372.447 0.789 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000510212716 490498197 /nfs/dbraw/zinc/49/81/97/490498197.db2.gz RTNJSOIPAJIXKR-HNNXBMFYSA-N 0 3 373.413 0.942 20 5 FCBDHN O=C1NC(=O)C2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000535548836 490498621 /nfs/dbraw/zinc/49/86/21/490498621.db2.gz NLJIQIAMZXPWAF-LBPRGKRZSA-N 0 3 364.358 0.009 20 5 FCBDHN C[C@@]1(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)NC(=O)NC1=O ZINC000536378262 490574064 /nfs/dbraw/zinc/57/40/64/490574064.db2.gz LKLQWOIDRLUCDE-INIZCTEOSA-N 0 3 363.374 0.067 20 5 FCBDHN CCCN(CCN(C)C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000525352966 490599408 /nfs/dbraw/zinc/59/94/08/490599408.db2.gz QHWFBSAXPKNJNS-UHFFFAOYSA-N 0 3 362.386 0.991 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000556852374 491341266 /nfs/dbraw/zinc/34/12/66/491341266.db2.gz ANDXYLBURVXIRA-QGZVFWFLSA-N 0 3 372.385 0.362 20 5 FCBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000514598199 490773645 /nfs/dbraw/zinc/77/36/45/490773645.db2.gz HASOKLJEWRYRDC-LBPRGKRZSA-N 0 3 361.358 0.144 20 5 FCBDHN CCOc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000517391796 490906823 /nfs/dbraw/zinc/90/68/23/490906823.db2.gz MWMBVPQOJUJSSB-LLVKDONJSA-N 0 3 352.391 0.790 20 5 FCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000543063194 490921432 /nfs/dbraw/zinc/92/14/32/490921432.db2.gz LZOCUCOTWGMUCB-LLVKDONJSA-N 0 3 366.399 0.755 20 5 FCBDHN CCS(=O)(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000518171336 490932151 /nfs/dbraw/zinc/93/21/51/490932151.db2.gz WBUDJTFXUKGVPO-AWEZNQCLSA-N 0 3 368.415 0.736 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000519017443 490959275 /nfs/dbraw/zinc/95/92/75/490959275.db2.gz JUIQADHURGRVDZ-GFCCVEGCSA-N 0 3 364.402 0.934 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000569528064 491166332 /nfs/dbraw/zinc/16/63/32/491166332.db2.gz OMYSIMNLYMXSPO-SMDDNHRTSA-N 0 3 353.375 0.607 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)C2CCOCC2)cc1 ZINC000565442605 491376678 /nfs/dbraw/zinc/37/66/78/491376678.db2.gz BGJYBGHWPOCPIK-OAHLLOKOSA-N 0 3 358.416 0.746 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2N2CCOCC2)c1 ZINC000565769892 491398573 /nfs/dbraw/zinc/39/85/73/491398573.db2.gz WWEPBXJAQJCPNG-MRXNPFEDSA-N 0 3 361.402 0.779 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CCN2C1=O ZINC000565963155 491409692 /nfs/dbraw/zinc/40/96/92/491409692.db2.gz QVRLKJUJJFYDOC-KBPBESRZSA-N 0 3 370.369 0.165 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CCN2C1=O ZINC000565963156 491409893 /nfs/dbraw/zinc/40/98/93/491409893.db2.gz QVRLKJUJJFYDOC-KGLIPLIRSA-N 0 3 370.369 0.165 20 5 FCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H](O)CC(F)(F)F)c1 ZINC000573110889 491413604 /nfs/dbraw/zinc/41/36/04/491413604.db2.gz IGSCCYZRQYIGCB-SNVBAGLBSA-N 0 3 371.337 0.776 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000573133406 491415201 /nfs/dbraw/zinc/41/52/01/491415201.db2.gz UDRNTFDDRHAOTR-SMDDNHRTSA-N 0 3 353.375 0.607 20 5 FCBDHN C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573562291 491440713 /nfs/dbraw/zinc/44/07/13/491440713.db2.gz XJGBFWNIZKOJSU-QWRGUYRKSA-N 0 3 373.435 0.298 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000566481199 491446575 /nfs/dbraw/zinc/44/65/75/491446575.db2.gz JWBDJGBATXDLEG-LBPRGKRZSA-N 0 3 353.354 0.932 20 5 FCBDHN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000573696524 491449145 /nfs/dbraw/zinc/44/91/45/491449145.db2.gz LOPDNOZHOMGURW-TZMCWYRMSA-N 0 3 362.434 0.670 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000574003110 491468296 /nfs/dbraw/zinc/46/82/96/491468296.db2.gz VKKFENHPXCCVJF-NSHDSACASA-N 0 3 352.391 0.790 20 5 FCBDHN C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566856312 491471641 /nfs/dbraw/zinc/47/16/41/491471641.db2.gz WHRNFFJFBAIOFW-RYUDHWBXSA-N 0 3 370.431 0.601 20 5 FCBDHN CCN1CCN(CCCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000574227482 491482568 /nfs/dbraw/zinc/48/25/68/491482568.db2.gz UOMFLFBXHVHUEP-UHFFFAOYSA-N 0 3 350.423 0.789 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000567167782 491490028 /nfs/dbraw/zinc/49/00/28/491490028.db2.gz MJMLUOGKVJGUBI-GFCCVEGCSA-N 0 3 370.431 0.379 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576704695 491637902 /nfs/dbraw/zinc/63/79/02/491637902.db2.gz JIWOVCPKUIRKSW-AWEZNQCLSA-N 0 3 352.395 0.054 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569356567 491655596 /nfs/dbraw/zinc/65/55/96/491655596.db2.gz GAJCPCJGQVCTHL-STQMWFEESA-N 0 3 368.415 0.090 20 5 FCBDHN [NH3+][C@H]1CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000578014274 491667991 /nfs/dbraw/zinc/66/79/91/491667991.db2.gz HOFJSRIDWIBPMV-NEPJUHHUSA-N 0 3 370.431 0.507 20 5 FCBDHN C[C@@H]1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1ccccc1 ZINC000578859611 491685916 /nfs/dbraw/zinc/68/59/16/491685916.db2.gz RATAOYOXEPEHGH-DAXOMENPSA-N 0 3 359.386 0.936 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588870158 491750740 /nfs/dbraw/zinc/75/07/40/491750740.db2.gz VFWYSNFUAGOSIZ-AWEZNQCLSA-N 0 3 359.386 0.967 20 5 FCBDHN COC(=O)C[C@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000589162444 491756824 /nfs/dbraw/zinc/75/68/24/491756824.db2.gz UKQWBDFDXVJSRD-HOCLYGCPSA-N 0 3 363.374 0.615 20 5 FCBDHN Cc1c(NC(=O)CCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440521 491773414 /nfs/dbraw/zinc/77/34/14/491773414.db2.gz ISVJCMLOJBLXQY-OLZOCXBDSA-N 0 3 361.402 0.476 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590372167 491774402 /nfs/dbraw/zinc/77/44/02/491774402.db2.gz XATNCHPUMNFBES-CYBMUJFWSA-N 0 3 359.386 0.967 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000590585826 491780110 /nfs/dbraw/zinc/78/01/10/491780110.db2.gz TUQCVFLMKQSDHF-UHFFFAOYSA-N 0 3 370.431 0.543 20 5 FCBDHN Nc1n[nH]c(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000590598800 491780828 /nfs/dbraw/zinc/78/08/28/491780828.db2.gz BDKMIODLYJMSHE-CYBMUJFWSA-N 0 3 362.390 0.914 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368078 491809487 /nfs/dbraw/zinc/80/94/87/491809487.db2.gz ULDRSFHWJXZKDQ-ZFWWWQNUSA-N 0 3 353.423 0.415 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000583199699 491840050 /nfs/dbraw/zinc/84/00/50/491840050.db2.gz ATKFKBIDQTZPJX-QWHCGFSZSA-N 0 3 358.416 0.749 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(N)=O)CCOCC1 ZINC000595728032 491950525 /nfs/dbraw/zinc/95/05/25/491950525.db2.gz HXUZSDOGSGQRAB-UHFFFAOYSA-N 0 3 350.375 0.856 20 5 FCBDHN [NH3+]C1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000595967242 491966766 /nfs/dbraw/zinc/96/67/66/491966766.db2.gz PCSKMSPBQYWQAX-UHFFFAOYSA-N 0 3 356.404 0.261 20 5 FCBDHN CCN1CCN(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000596073570 491974557 /nfs/dbraw/zinc/97/45/57/491974557.db2.gz NBJQBLPFWDTUNZ-UHFFFAOYSA-N 0 3 362.434 0.835 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000596259438 491981690 /nfs/dbraw/zinc/98/16/90/491981690.db2.gz SEFBQVREGMVDKT-LBPRGKRZSA-N 0 3 358.420 0.501 20 5 FCBDHN CNC(=O)c1ccc(N(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000596461322 491986690 /nfs/dbraw/zinc/98/66/90/491986690.db2.gz FJGKJUNLQVMZIN-UHFFFAOYSA-N 0 3 351.407 0.411 20 5 FCBDHN CCOC(=O)c1ccnc(N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000596463115 491987189 /nfs/dbraw/zinc/98/71/89/491987189.db2.gz QKBYOVDTEOGWHP-UHFFFAOYSA-N 0 3 367.406 0.623 20 5 FCBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920794 492064463 /nfs/dbraw/zinc/06/44/63/492064463.db2.gz QWKHLCXAIIOUJD-OAHLLOKOSA-N 0 3 353.419 0.723 20 5 FCBDHN CC(C)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1 ZINC000598578013 492105239 /nfs/dbraw/zinc/10/52/39/492105239.db2.gz YLCXVGVFPBONDC-GFCCVEGCSA-N 0 3 360.370 0.647 20 5 FCBDHN O=[N+]([O-])c1c(NCCCN2CCC(O)CC2)ncnc1N1CCOCC1 ZINC000598588537 492105953 /nfs/dbraw/zinc/10/59/53/492105953.db2.gz BQQGPQGETLQKOT-UHFFFAOYSA-N 0 3 366.422 0.480 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598721544 492115880 /nfs/dbraw/zinc/11/58/80/492115880.db2.gz XCCFWDGMZGJDNB-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN COC(=O)COc1ccc(CN[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000616091115 492116995 /nfs/dbraw/zinc/11/69/95/492116995.db2.gz MKFUCPWAOSQNOK-WBMJQRKESA-N 0 3 367.402 0.955 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000598913514 492123633 /nfs/dbraw/zinc/12/36/33/492123633.db2.gz KCIYXGYCEALFLY-AWEZNQCLSA-N 0 3 373.373 0.447 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599708324 492200841 /nfs/dbraw/zinc/20/08/41/492200841.db2.gz JXPULSDSVHGOKA-INIZCTEOSA-N 0 3 365.365 0.962 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000609811798 492223356 /nfs/dbraw/zinc/22/33/56/492223356.db2.gz SRAWQFBLDWRCSH-CYBMUJFWSA-N 0 3 350.375 0.998 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609883294 492226158 /nfs/dbraw/zinc/22/61/58/492226158.db2.gz HUIWOHDCAQBJRC-UHFFFAOYSA-N 0 3 351.359 0.900 20 5 FCBDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000610264083 492240668 /nfs/dbraw/zinc/24/06/68/492240668.db2.gz SOGMHFXTHSGOKA-ZDUSSCGKSA-N 0 3 369.447 0.390 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000610367542 492243581 /nfs/dbraw/zinc/24/35/81/492243581.db2.gz UJWLWPZDPSMLPY-HOTGVXAUSA-N 0 3 353.423 0.339 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611521027 492289418 /nfs/dbraw/zinc/28/94/18/492289418.db2.gz BQFSFNNBXTVEME-DOMZBBRYSA-N 0 3 374.397 0.873 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000419981541 535925988 /nfs/dbraw/zinc/92/59/88/535925988.db2.gz AHJPAQCMKPDVON-KRWDZBQOSA-N 0 3 366.418 0.534 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424452511 536953040 /nfs/dbraw/zinc/95/30/40/536953040.db2.gz HVFGIGIZNPNIOO-LSDHHAIUSA-N 0 3 374.401 0.973 20 5 FCBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592195425 546945423 /nfs/dbraw/zinc/94/54/23/546945423.db2.gz KEWYHUIXXAUBBA-FZMZJTMJSA-N 0 3 351.359 0.779 20 5 FCBDHN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)CN1 ZINC000592338443 546947503 /nfs/dbraw/zinc/94/75/03/546947503.db2.gz ULGPYAUXDKQJCF-QWRGUYRKSA-N 0 3 374.394 0.079 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000592491453 546951514 /nfs/dbraw/zinc/95/15/14/546951514.db2.gz KEANJFRJCIPLLN-ZDUSSCGKSA-N 0 3 350.375 0.679 20 5 FCBDHN O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639979 606102247 /nfs/dbraw/zinc/10/22/47/606102247.db2.gz OETNROMYQHUKCR-GFCCVEGCSA-N 0 3 359.390 0.933 20 5 FCBDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000780848999 668490693 /nfs/dbraw/zinc/49/06/93/668490693.db2.gz IORBIKHFIYXRDX-UHFFFAOYSA-N 0 3 371.463 0.636 20 5 FCBDHN CC([C@@H](OC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845880562 671045295 /nfs/dbraw/zinc/04/52/95/671045295.db2.gz IBIFCMBREDOQIJ-PRHODGIISA-N 0 3 351.294 0.466 20 5 FCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@@H](O)c1ccccn1 ZINC000853100414 671537378 /nfs/dbraw/zinc/53/73/78/671537378.db2.gz DUHUJKJOQHXNRK-CQSZACIVSA-N 0 3 366.399 0.591 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000855695913 671660571 /nfs/dbraw/zinc/66/05/71/671660571.db2.gz WSFBNZQECGKUHN-UHFFFAOYSA-N 0 3 358.345 0.965 20 5 FCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861708705 671982517 /nfs/dbraw/zinc/98/25/17/671982517.db2.gz BVYMWGDSJJSOAD-NWDGAFQWSA-N 0 3 353.350 0.780 20 5 FCBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000863833544 672158490 /nfs/dbraw/zinc/15/84/90/672158490.db2.gz RXKWZZLKWQBRBA-ZDUSSCGKSA-N 0 3 352.347 0.618 20 5 FCBDHN CCn1nnc(C)c1CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399230 676070955 /nfs/dbraw/zinc/07/09/55/676070955.db2.gz JUPMCTGPNLLKMO-ZIAGYGMSSA-N 0 3 350.423 0.600 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063495 1170555818 /nfs/dbraw/zinc/55/58/18/1170555818.db2.gz CMJJHLLYGOJATQ-NOXHYTERSA-N 0 3 356.386 0.669 20 5 FCBDHN CCn1nncc1CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982278686 1186694869 /nfs/dbraw/zinc/69/48/69/1186694869.db2.gz OOOZBUDFVZIWSG-SRABZTEZSA-N 0 3 362.434 0.634 20 5 FCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820465914 1203186436 /nfs/dbraw/zinc/18/64/36/1203186436.db2.gz RXAGPBFYCVIKMG-UHFFFAOYSA-N 0 3 361.446 0.980 20 5 FCBDHN CC([C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875394 1204562018 /nfs/dbraw/zinc/56/20/18/1204562018.db2.gz KMZJTXOJRWTHQR-NOZJJQNGSA-N 0 3 365.317 0.786 20 5 FCBDHN Cn1nccc1[C@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000856799574 1209729551 /nfs/dbraw/zinc/72/95/51/1209729551.db2.gz HSJXTWYVSZFTGD-GDBMZVCRSA-N 0 3 364.406 0.331 20 5 FCBDHN O=Cc1ccc(OCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712432 1209876011 /nfs/dbraw/zinc/87/60/11/1209876011.db2.gz OHNYURUKWJAVSS-ZIAGYGMSSA-N 0 3 363.370 0.454 20 5 FCBDHN COC(=O)c1ccnc(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866213336 1209993388 /nfs/dbraw/zinc/99/33/88/1209993388.db2.gz PDFRKSPIBWJFQY-UHFFFAOYSA-N 0 3 363.418 0.993 20 5 FCBDHN Cc1cc2c[nH]nc2c(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001011112278 1213828864 /nfs/dbraw/zinc/82/88/64/1213828864.db2.gz AJUUPZHSXIEDSU-TZMCWYRMSA-N 0 3 357.370 0.821 20 5 FCBDHN O=C(c1ccn2cncc2c1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019224048 1214219139 /nfs/dbraw/zinc/21/91/39/1214219139.db2.gz YCMYWGPHWYJPMY-HUUCEWRRSA-N 0 3 369.381 0.674 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2cn(-c3ccccc3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139520 1214314385 /nfs/dbraw/zinc/31/43/85/1214314385.db2.gz CMJJHLLYGOJATQ-CZPYZCIJSA-N 0 3 356.386 0.669 20 5 FCBDHN CN1CCN(C2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827435520 1216600459 /nfs/dbraw/zinc/60/04/59/1216600459.db2.gz LZINMBVAQMJDOJ-QGZVFWFLSA-N 0 3 362.430 0.867 20 5 FCBDHN Cc1ccoc1C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055517254 1219064776 /nfs/dbraw/zinc/06/47/76/1219064776.db2.gz BABDSOFNBMQUAT-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001117269928 1221501428 /nfs/dbraw/zinc/50/14/28/1221501428.db2.gz YGUPQFUSXREGKC-OAHLLOKOSA-N 0 3 360.414 0.854 20 5 FCBDHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cncn2C)CC1 ZINC001151121097 1222915738 /nfs/dbraw/zinc/91/57/38/1222915738.db2.gz GAMHDBICJZCCCK-HUUCEWRRSA-N 0 3 365.434 0.573 20 5 FCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001155399978 1223035054 /nfs/dbraw/zinc/03/50/54/1223035054.db2.gz GTVDEJRQDSWHJY-UHFFFAOYSA-N 0 3 361.366 0.349 20 5 FCBDHN CCN(C(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001160090179 1223145456 /nfs/dbraw/zinc/14/54/56/1223145456.db2.gz DESMLKSGKBKQOU-HZPDHXFCSA-N 0 3 364.446 0.801 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000765551720 1245302583 /nfs/dbraw/zinc/30/25/83/1245302583.db2.gz HAXNQNNSWYDUJA-ZDUSSCGKSA-N 0 3 358.402 0.985 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001328333086 1265535819 /nfs/dbraw/zinc/53/58/19/1265535819.db2.gz SGJINIMULPPKQP-CYBMUJFWSA-N 0 3 362.394 0.404 20 5 FCBDHN CN(C)C(=O)c1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031660263 1253880042 /nfs/dbraw/zinc/88/00/42/1253880042.db2.gz FSEDOQODHSIXJU-HZPDHXFCSA-N 0 3 360.414 0.602 20 5 FCBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCC(CN2CCOCC2)CC1 ZINC001338152016 1260573636 /nfs/dbraw/zinc/57/36/36/1260573636.db2.gz CUFQBXHWZFGPOC-UHFFFAOYSA-N 0 3 352.439 0.573 20 5 FCBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327321883 1265284530 /nfs/dbraw/zinc/28/45/30/1265284530.db2.gz KTZVLPGBDPSYDV-ZDUSSCGKSA-N 0 3 366.422 0.144 20 5 FCBDHN Nc1cc(N2CC[NH+](CCCCO)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760435 1285681870 /nfs/dbraw/zinc/68/18/70/1285681870.db2.gz XVLMRXSLLKFLII-UHFFFAOYSA-N 0 3 362.394 0.252 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001593483224 1286174179 /nfs/dbraw/zinc/17/41/79/1286174179.db2.gz MMXOKOQIOBSENK-CQSZACIVSA-N 0 3 370.373 0.905 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001593483224 1286174184 /nfs/dbraw/zinc/17/41/84/1286174184.db2.gz MMXOKOQIOBSENK-CQSZACIVSA-N 0 3 370.373 0.905 20 5 FCBDHN O=C([O-])CN1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001602061655 1286916140 /nfs/dbraw/zinc/91/61/40/1286916140.db2.gz WYYNXHKXOVKCPF-GDBMZVCRSA-N 0 3 353.375 0.128 20 5 FCBDHN CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC001086083353 842117572 /nfs/dbraw/zinc/11/75/72/842117572.db2.gz VXDWRTWMMRBIFD-YVECIDJPSA-N 0 3 350.423 0.588 20 5 FCBDHN CN1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156596647 849916031 /nfs/dbraw/zinc/91/60/31/849916031.db2.gz ABGSFAPTHYMQAB-CYBMUJFWSA-N 0 3 370.431 0.330 20 5 FCBDHN CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)CN2)n1 ZINC001162472379 850319173 /nfs/dbraw/zinc/31/91/73/850319173.db2.gz HCYWAJLXKLSMSV-WDSKDSINSA-N 0 3 353.763 0.554 20 5 FCBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CCC[N+](=O)[O-])n1C ZINC001350550128 866625643 /nfs/dbraw/zinc/62/56/43/866625643.db2.gz QFMRROJTNRVLGH-CYBMUJFWSA-N 0 3 352.439 0.714 20 5 FCBDHN COC(=O)c1cc(C(=O)NCCCN2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000265420552 210130846 /nfs/dbraw/zinc/13/08/46/210130846.db2.gz DBVJYECRNPYVBO-UHFFFAOYSA-N 0 3 365.386 0.958 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000288533885 213772596 /nfs/dbraw/zinc/77/25/96/213772596.db2.gz HIRGTGAMHSUZJX-AWEZNQCLSA-N 0 3 350.375 0.524 20 5 FCBDHN CCN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000264912506 210013639 /nfs/dbraw/zinc/01/36/39/210013639.db2.gz NQAJLTGYENMBPX-UHFFFAOYSA-N 0 3 366.418 0.736 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285444574 213341956 /nfs/dbraw/zinc/34/19/56/213341956.db2.gz XNSNMOBMUVSBNM-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186674730 209194672 /nfs/dbraw/zinc/19/46/72/209194672.db2.gz KHIBYQSGPHEVJX-GFCCVEGCSA-N 0 3 372.385 0.508 20 5 FCBDHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000183156088 209142636 /nfs/dbraw/zinc/14/26/36/209142636.db2.gz NQYYDDOZPWHXAK-GJZGRUSLSA-N 0 3 362.430 0.946 20 5 FCBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000419979026 246398120 /nfs/dbraw/zinc/39/81/20/246398120.db2.gz PAZWNVIVYBEDLH-LBPRGKRZSA-N 0 3 366.422 0.444 20 5 FCBDHN CN(CCN)C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423387847 247019117 /nfs/dbraw/zinc/01/91/17/247019117.db2.gz KFVSGHZKGVTBGE-UHFFFAOYSA-N 0 3 350.375 0.382 20 5 FCBDHN [NH3+][C@@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423601498 247071197 /nfs/dbraw/zinc/07/11/97/247071197.db2.gz ZNDLSEBUOUPYPJ-MNOVXSKESA-N 0 3 356.404 0.259 20 5 FCBDHN C[C@H](CCCC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423700809 247115495 /nfs/dbraw/zinc/11/54/95/247115495.db2.gz VCTUTQQPRCDQND-LLVKDONJSA-N 0 3 358.420 0.507 20 5 FCBDHN COC(=O)CC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000424301774 247196337 /nfs/dbraw/zinc/19/63/37/247196337.db2.gz LHMPTDDPNUNZLL-UHFFFAOYSA-N 0 3 371.415 0.804 20 5 FCBDHN Cn1cc([C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424386204 247202232 /nfs/dbraw/zinc/20/22/32/247202232.db2.gz DPWYYADNAQKYCI-LSDHHAIUSA-N 0 3 365.415 0.585 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000440351031 248176237 /nfs/dbraw/zinc/17/62/37/248176237.db2.gz QTLLHAWHFVWKEE-SSDOTTSWSA-N 0 3 350.194 0.998 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452353865 249310384 /nfs/dbraw/zinc/31/03/84/249310384.db2.gz UZOZZBQOUBMKGH-LBPRGKRZSA-N 0 3 365.386 0.943 20 5 FCBDHN C[C@H](Cc1cnccn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000453091104 249342528 /nfs/dbraw/zinc/34/25/28/249342528.db2.gz PDZWGLWEXMUPRY-GFCCVEGCSA-N 0 3 365.415 0.884 20 5 FCBDHN CN(C)CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1=O ZINC000270211960 211168004 /nfs/dbraw/zinc/16/80/04/211168004.db2.gz LMCBPHDTFMZHLO-UHFFFAOYSA-N 0 3 361.358 0.119 20 5 FCBDHN CC(C)N(CCN(C)C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000269727076 211058032 /nfs/dbraw/zinc/05/80/32/211058032.db2.gz UIGKQBFQEXECDS-UHFFFAOYSA-N 0 3 362.386 0.989 20 5 FCBDHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075683294 208062926 /nfs/dbraw/zinc/06/29/26/208062926.db2.gz KXBNTENQOKLWLN-ZFWWWQNUSA-N 0 3 353.423 0.636 20 5 FCBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083245390 208108881 /nfs/dbraw/zinc/10/88/81/208108881.db2.gz XZGRQGFKBQMUNN-INIZCTEOSA-N 0 3 353.419 0.989 20 5 FCBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266531438 210352500 /nfs/dbraw/zinc/35/25/00/210352500.db2.gz MDHFAVPKORASIG-JSGCOSHPSA-N 0 3 369.422 0.999 20 5 FCBDHN C[C@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000180424147 209096076 /nfs/dbraw/zinc/09/60/76/209096076.db2.gz YGBPAGBGRJWPIZ-NSHDSACASA-N 0 3 372.385 0.693 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(CC2CCOCC2)CC1 ZINC000178604341 209054478 /nfs/dbraw/zinc/05/44/78/209054478.db2.gz AZGPYDYZOOUALZ-UHFFFAOYSA-N 0 3 366.422 0.545 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064348269 488312819 /nfs/dbraw/zinc/31/28/19/488312819.db2.gz ZVIUKYLECDCVAT-LSDHHAIUSA-N 0 3 362.386 0.304 20 5 FCBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000066373526 488328517 /nfs/dbraw/zinc/32/85/17/488328517.db2.gz HCZVQKNBVBGCRA-UHFFFAOYSA-N 0 3 372.447 0.979 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067191441 488345716 /nfs/dbraw/zinc/34/57/16/488345716.db2.gz IGWBBIJSAQODIK-UHFFFAOYSA-N 0 3 364.402 0.733 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183780184 488394184 /nfs/dbraw/zinc/39/41/84/488394184.db2.gz FJEDGRCWXQTSRX-CQSZACIVSA-N 0 3 359.386 0.825 20 5 FCBDHN Cn1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000093534715 488479424 /nfs/dbraw/zinc/47/94/24/488479424.db2.gz BRFTYPKRRDBYGS-LBPRGKRZSA-N 0 3 360.374 0.074 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104102335 488504274 /nfs/dbraw/zinc/50/42/74/488504274.db2.gz HXIJVKXVCIJLBY-UHFFFAOYSA-N 0 3 358.464 0.850 20 5 FCBDHN NC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000262438409 488570380 /nfs/dbraw/zinc/57/03/80/488570380.db2.gz MPUWSGBXRHLANL-UHFFFAOYSA-N 0 3 370.431 0.651 20 5 FCBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000122081849 488574803 /nfs/dbraw/zinc/57/48/03/488574803.db2.gz UOHSCVGHHSBEOV-CQSZACIVSA-N 0 3 350.419 0.973 20 5 FCBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000122201546 488576260 /nfs/dbraw/zinc/57/62/60/488576260.db2.gz WOTYLUPCVPOZLW-CYBMUJFWSA-N 0 3 363.418 0.533 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272852190 488611587 /nfs/dbraw/zinc/61/15/87/488611587.db2.gz QXUJBMBLYNRVDS-HOCLYGCPSA-N 0 3 350.375 0.517 20 5 FCBDHN CCN1CCCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000273040075 488627118 /nfs/dbraw/zinc/62/71/18/488627118.db2.gz HKGQGLHPVPAZNI-UHFFFAOYSA-N 0 3 364.402 0.887 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000273088742 488631011 /nfs/dbraw/zinc/63/10/11/488631011.db2.gz QYAZSWIHDOBDPR-CQSZACIVSA-N 0 3 364.402 0.470 20 5 FCBDHN CCN1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273440394 488651291 /nfs/dbraw/zinc/65/12/91/488651291.db2.gz CZHRHGRWEOXDGH-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN COCCN1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273502904 488654871 /nfs/dbraw/zinc/65/48/71/488654871.db2.gz SHIGNRXILVHLBO-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN COCCN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000143745036 488691658 /nfs/dbraw/zinc/69/16/58/488691658.db2.gz QZIUFLGZQHIQHM-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000150893293 488700973 /nfs/dbraw/zinc/70/09/73/488700973.db2.gz KJNKSSMATJXYNN-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000150913647 488701329 /nfs/dbraw/zinc/70/13/29/488701329.db2.gz VMOCWYVDMHVJCW-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000152694827 488721567 /nfs/dbraw/zinc/72/15/67/488721567.db2.gz HPLDLAGRMXMVNF-CQSZACIVSA-N 0 3 361.402 0.556 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000266779864 488728941 /nfs/dbraw/zinc/72/89/41/488728941.db2.gz AMCKZFOHHHYULA-CYBMUJFWSA-N 0 3 364.402 0.630 20 5 FCBDHN Cc1c(C(=O)NC2(CN(C)C)CCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000281773794 489105396 /nfs/dbraw/zinc/10/53/96/489105396.db2.gz RCAXVCNDYNMJSO-UHFFFAOYSA-N 0 3 370.431 0.765 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283056247 489211095 /nfs/dbraw/zinc/21/10/95/489211095.db2.gz OKWVXENDPXBDOW-ZETCQYMHSA-N 0 3 360.323 0.080 20 5 FCBDHN COc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1OC ZINC000570580995 491250978 /nfs/dbraw/zinc/25/09/78/491250978.db2.gz AWHBBAOHEUJHDN-KRWDZBQOSA-N 0 3 365.386 0.799 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000362933033 489406067 /nfs/dbraw/zinc/40/60/67/489406067.db2.gz RLUGADATNYXLKL-CHWSQXEVSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C1CCCCN1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363576649 489480107 /nfs/dbraw/zinc/48/01/07/489480107.db2.gz BLZIGFPFXMCVCO-ZFWWWQNUSA-N 0 3 351.407 0.629 20 5 FCBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371581648 489489293 /nfs/dbraw/zinc/48/92/93/489489293.db2.gz HMQUHXVERSYOHU-HIFRSBDPSA-N 0 3 362.434 0.901 20 5 FCBDHN CC(C)[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423213174 489503512 /nfs/dbraw/zinc/50/35/12/489503512.db2.gz KZFWQVNFPWFTFN-SMDDNHRTSA-N 0 3 372.447 0.609 20 5 FCBDHN COC(=O)c1cn([C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000371845109 489517923 /nfs/dbraw/zinc/51/79/23/489517923.db2.gz AFYKZJVKSFSHIT-DZGCQCFKSA-N 0 3 361.358 0.953 20 5 FCBDHN CN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccccc2)C1 ZINC000372859189 489645621 /nfs/dbraw/zinc/64/56/21/489645621.db2.gz QIBHAACLCCWWCR-HOTGVXAUSA-N 0 3 356.382 0.971 20 5 FCBDHN NC[C@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418029857 489676699 /nfs/dbraw/zinc/67/66/99/489676699.db2.gz ZZKPVVTVFFVEAM-ZDUSSCGKSA-N 0 3 356.404 0.405 20 5 FCBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H](C)N2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000469128571 489691398 /nfs/dbraw/zinc/69/13/98/489691398.db2.gz DSDZONXUFPISHM-GFCCVEGCSA-N 0 3 374.467 0.116 20 5 FCBDHN Cn1cc(C[C@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000563887664 491275015 /nfs/dbraw/zinc/27/50/15/491275015.db2.gz KFJMDHKSONTUPS-HIFRSBDPSA-N 0 3 350.375 0.261 20 5 FCBDHN COc1ccc(OCCN(C)CC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000430620016 489756684 /nfs/dbraw/zinc/75/66/84/489756684.db2.gz HAHHCLYHCGIJDE-UHFFFAOYSA-N 0 3 352.391 0.346 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000418936733 489796374 /nfs/dbraw/zinc/79/63/74/489796374.db2.gz KCXHWRWVYUNCAB-FZMZJTMJSA-N 0 3 364.402 0.805 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042027 489831611 /nfs/dbraw/zinc/83/16/11/489831611.db2.gz OSFNCCNQNCTEQR-WCQYABFASA-N 0 3 364.402 0.483 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000420055292 489896000 /nfs/dbraw/zinc/89/60/00/489896000.db2.gz GGSIHXGLBZORFE-OAHLLOKOSA-N 0 3 361.402 0.097 20 5 FCBDHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420115304 489917411 /nfs/dbraw/zinc/91/74/11/489917411.db2.gz FFKRZTYZMCFHAG-GFCCVEGCSA-N 0 3 366.422 0.589 20 5 FCBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000564159575 491291875 /nfs/dbraw/zinc/29/18/75/491291875.db2.gz PTQUOHZRZVKHRO-CYBMUJFWSA-N 0 3 366.374 0.968 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[NH2+]CCC1(F)F ZINC000420442019 489977103 /nfs/dbraw/zinc/97/71/03/489977103.db2.gz JHDJBMWKDPVHDC-LLVKDONJSA-N 0 3 351.331 0.879 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439156670 490038633 /nfs/dbraw/zinc/03/86/33/490038633.db2.gz DVUOVPKIXFYSHD-UHFFFAOYSA-N 0 3 363.418 0.684 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000422027770 490129033 /nfs/dbraw/zinc/12/90/33/490129033.db2.gz VWXNSDSNURBVNK-HNNXBMFYSA-N 0 3 363.418 0.947 20 5 FCBDHN CCOc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000545863593 490158755 /nfs/dbraw/zinc/15/87/55/490158755.db2.gz KKJUCTZJBIKPEN-INIZCTEOSA-N 0 3 353.375 0.799 20 5 FCBDHN CCCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000497732324 490206234 /nfs/dbraw/zinc/20/62/34/490206234.db2.gz YAZKDPIXJILURX-CYBMUJFWSA-N 0 3 358.420 0.507 20 5 FCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000571466628 491310135 /nfs/dbraw/zinc/31/01/35/491310135.db2.gz CVSOKFQBCFAUKZ-UHFFFAOYSA-N 0 3 365.434 0.418 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])n1 ZINC000533633560 490270152 /nfs/dbraw/zinc/27/01/52/490270152.db2.gz YSSQHFQDMZVTBT-RYUDHWBXSA-N 0 3 357.436 0.916 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000564559318 491313913 /nfs/dbraw/zinc/31/39/13/491313913.db2.gz SPLFEQYBGKRPKV-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN CCN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521992817 490322555 /nfs/dbraw/zinc/32/25/55/490322555.db2.gz SJPYJFKNAZZOGM-UHFFFAOYSA-N 0 3 363.418 0.948 20 5 FCBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCCN1CCCCC1 ZINC000508697006 490351097 /nfs/dbraw/zinc/35/10/97/490351097.db2.gz WPWBTDSFKPZTKM-GFCCVEGCSA-N 0 3 351.407 0.654 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000411354339 490437336 /nfs/dbraw/zinc/43/73/36/490437336.db2.gz YCRUHIAFPAQOHA-MRXNPFEDSA-N 0 3 352.391 0.579 20 5 FCBDHN C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422974814 490508976 /nfs/dbraw/zinc/50/89/76/490508976.db2.gz ARNOFKPGQFWCAQ-CHWSQXEVSA-N 0 3 356.448 0.993 20 5 FCBDHN CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC1 ZINC000556856806 491341064 /nfs/dbraw/zinc/34/10/64/491341064.db2.gz KKNHVXSPHGNTSJ-UHFFFAOYSA-N 0 3 366.422 0.689 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525765884 490629576 /nfs/dbraw/zinc/62/95/76/490629576.db2.gz TYDNGRDAYQOYBY-YPMHNXCESA-N 0 3 364.402 0.932 20 5 FCBDHN CS(=O)(=O)CC1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000572029541 491344144 /nfs/dbraw/zinc/34/41/44/491344144.db2.gz WVSGWWLJJNYMFW-GFCCVEGCSA-N 0 3 358.416 0.749 20 5 FCBDHN CN(CCN1CCCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000487477008 490714918 /nfs/dbraw/zinc/71/49/18/490714918.db2.gz LXGSMBYPEDBSLS-UHFFFAOYSA-N 0 3 363.418 0.948 20 5 FCBDHN CN(C)CCOCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513648355 490742145 /nfs/dbraw/zinc/74/21/45/490742145.db2.gz PMYYYXHLDOGZMD-UHFFFAOYSA-N 0 3 359.404 0.306 20 5 FCBDHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000505886053 490843366 /nfs/dbraw/zinc/84/33/66/490843366.db2.gz YODXLFSSNFOTJP-VXGBXAGGSA-N 0 3 370.431 0.472 20 5 FCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565237972 491363184 /nfs/dbraw/zinc/36/31/84/491363184.db2.gz DZSCHUJCUJOWPY-CHWSQXEVSA-N 0 3 368.415 0.144 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000542079597 490884821 /nfs/dbraw/zinc/88/48/21/490884821.db2.gz LOXSATAPYWWGDB-GFCCVEGCSA-N 0 3 364.402 0.791 20 5 FCBDHN Cc1c(C(=O)N(C)CCN2CCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000530575204 490913415 /nfs/dbraw/zinc/91/34/15/490913415.db2.gz ODGYMHILCRJVMM-UHFFFAOYSA-N 0 3 370.431 0.718 20 5 FCBDHN CSc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565240582 491364082 /nfs/dbraw/zinc/36/40/82/491364082.db2.gz YTZUSHUVJDLNLF-GHMZBOCLSA-N 0 3 350.400 0.701 20 5 FCBDHN CCN1CCN([C@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000530908596 490931784 /nfs/dbraw/zinc/93/17/84/490931784.db2.gz RTKCGZHQUISKIW-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN CC[NH2+]CCCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000572618896 491381906 /nfs/dbraw/zinc/38/19/06/491381906.db2.gz BYPQSGNSHKYXKB-UHFFFAOYSA-N 0 3 373.435 0.172 20 5 FCBDHN C[NH2+]C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000572643189 491383914 /nfs/dbraw/zinc/38/39/14/491383914.db2.gz MNKSMYXTPDOPCU-GFCCVEGCSA-N 0 3 370.431 0.331 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CCN2C1=O ZINC000565963158 491409784 /nfs/dbraw/zinc/40/97/84/491409784.db2.gz QVRLKJUJJFYDOC-ZIAGYGMSSA-N 0 3 370.369 0.165 20 5 FCBDHN COc1ccc(NC(=O)[C@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000573106653 491412990 /nfs/dbraw/zinc/41/29/90/491412990.db2.gz VRFGLOMCNKSEGB-LKTVYLICSA-N 0 3 352.391 0.537 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000566104510 491417737 /nfs/dbraw/zinc/41/77/37/491417737.db2.gz MZJKHSNJKYFRSX-GFCCVEGCSA-N 0 3 350.375 0.150 20 5 FCBDHN [NH3+]C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000566239862 491429178 /nfs/dbraw/zinc/42/91/78/491429178.db2.gz WOYDXIXRVDOMDQ-LLVKDONJSA-N 0 3 356.404 0.070 20 5 FCBDHN Cc1nn(C)c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000559266230 491459745 /nfs/dbraw/zinc/45/97/45/491459745.db2.gz MPQMKFCMLMYXIH-GFCCVEGCSA-N 0 3 366.422 0.357 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000567167768 491489954 /nfs/dbraw/zinc/48/99/54/491489954.db2.gz LHZRHYVOPKJDHT-LBPRGKRZSA-N 0 3 370.431 0.522 20 5 FCBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567573030 491514782 /nfs/dbraw/zinc/51/47/82/491514782.db2.gz PMGKZISCGVSTTI-LBPRGKRZSA-N 0 3 352.391 0.579 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCN2CCCO)cc1 ZINC000576227014 491594776 /nfs/dbraw/zinc/59/47/76/491594776.db2.gz DFOOVDAIZLMFFA-OAHLLOKOSA-N 0 3 371.459 0.805 20 5 FCBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CNCCO1 ZINC000569229303 491644023 /nfs/dbraw/zinc/64/40/23/491644023.db2.gz NOQXBGXJBCNJTC-LBPRGKRZSA-N 0 3 364.358 0.388 20 5 FCBDHN Cn1cc(C[C@@H](CO)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000580194363 491721051 /nfs/dbraw/zinc/72/10/51/491721051.db2.gz KKOKPLMUAYMIDQ-KBPBESRZSA-N 0 3 350.375 0.261 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580315509 491725822 /nfs/dbraw/zinc/72/58/22/491725822.db2.gz CFOKYFNZAHFYNV-OLZOCXBDSA-N 0 3 373.431 0.348 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000588865134 491750814 /nfs/dbraw/zinc/75/08/14/491750814.db2.gz UFCZLHWFAVPLFL-LLVKDONJSA-N 0 3 366.374 0.322 20 5 FCBDHN CN1CCN(CC2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000590564021 491779534 /nfs/dbraw/zinc/77/95/34/491779534.db2.gz WVWUBQJGTHECOD-UHFFFAOYSA-N 0 3 358.402 0.791 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[C@H](F)CN1 ZINC000591685944 491818765 /nfs/dbraw/zinc/81/87/65/491818765.db2.gz CQBXFUHFYXCOLE-UWVGGRQHSA-N 0 3 352.322 0.136 20 5 FCBDHN CCc1n[n-]c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000583080845 491837502 /nfs/dbraw/zinc/83/75/02/491837502.db2.gz XYGAVNDJHWKMBM-GFCCVEGCSA-N 0 3 364.406 0.305 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1CCCS(=O)(=O)C1 ZINC000583199693 491840019 /nfs/dbraw/zinc/84/00/19/491840019.db2.gz ATKFKBIDQTZPJX-CHWSQXEVSA-N 0 3 358.416 0.749 20 5 FCBDHN C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583441592 491845080 /nfs/dbraw/zinc/84/50/80/491845080.db2.gz YFTAMSJSEIQGRA-NWDGAFQWSA-N 0 3 370.431 0.459 20 5 FCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000583556689 491847442 /nfs/dbraw/zinc/84/74/42/491847442.db2.gz SSUIOSSFGOKGJO-UHFFFAOYSA-N 0 3 351.407 0.655 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccncc2OCC(F)F)c1 ZINC000583748422 491851182 /nfs/dbraw/zinc/85/11/82/491851182.db2.gz CHMVPXKXVPTDOE-GFCCVEGCSA-N 0 3 357.317 0.981 20 5 FCBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594877379 491869829 /nfs/dbraw/zinc/86/98/29/491869829.db2.gz PBTYERUCVLTJFS-JKOKRWQUSA-N 0 3 364.427 0.846 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000601307750 491903132 /nfs/dbraw/zinc/90/31/32/491903132.db2.gz GUZOPNPEUSWWCU-UHFFFAOYSA-N 0 3 356.448 0.998 20 5 FCBDHN COc1ccc(NC(=O)CCN2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000595732308 491950818 /nfs/dbraw/zinc/95/08/18/491950818.db2.gz LWHWXTOCBXLJJS-UHFFFAOYSA-N 0 3 353.375 0.751 20 5 FCBDHN CC1(C)CC[NH2+][C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595941884 491963064 /nfs/dbraw/zinc/96/30/64/491963064.db2.gz DMRDYVDCLXSLER-ZDUSSCGKSA-N 0 3 370.431 0.377 20 5 FCBDHN NS(=O)(=O)c1c(NCCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000596086610 491974994 /nfs/dbraw/zinc/97/49/94/491974994.db2.gz UGBKBEYZXWBMBC-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCN1CCC(O)CC1 ZINC000596084608 491975074 /nfs/dbraw/zinc/97/50/74/491975074.db2.gz DCDABEIRNLSTDE-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596185928 491978879 /nfs/dbraw/zinc/97/88/79/491978879.db2.gz HCWRHDXJKGYOJU-UHFFFAOYSA-N 0 3 365.434 0.799 20 5 FCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000602771600 491997602 /nfs/dbraw/zinc/99/76/02/491997602.db2.gz FVTUWPSDGQDAMN-UHFFFAOYSA-N 0 3 350.423 0.340 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000604573464 492063872 /nfs/dbraw/zinc/06/38/72/492063872.db2.gz MENSUALZQRFZGY-OAHLLOKOSA-N 0 3 364.402 0.470 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598866388 492119788 /nfs/dbraw/zinc/11/97/88/492119788.db2.gz JSTNFXYCHSRFIU-UHFFFAOYSA-N 0 3 366.374 0.416 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000608974454 492196311 /nfs/dbraw/zinc/19/63/11/492196311.db2.gz XJGXVIHULFDBMB-UHFFFAOYSA-N 0 3 359.390 0.292 20 5 FCBDHN COCCN(CCN(C)C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609189476 492199822 /nfs/dbraw/zinc/19/98/22/492199822.db2.gz YBQGDLOJISKAGH-ZDUSSCGKSA-N 0 3 366.418 0.750 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCN(CC2CC2)C1 ZINC000609383411 492207434 /nfs/dbraw/zinc/20/74/34/492207434.db2.gz NKDJULWAXAWCIE-ZDUSSCGKSA-N 0 3 374.397 0.921 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610103088 492234488 /nfs/dbraw/zinc/23/44/88/492234488.db2.gz PLOVSSVQGJQDAN-UHFFFAOYSA-N 0 3 350.375 0.496 20 5 FCBDHN CC1([NH3+])CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592543517 546953173 /nfs/dbraw/zinc/95/31/73/546953173.db2.gz FFFTYKXKZKWYRS-UHFFFAOYSA-N 0 3 356.404 0.213 20 5 FCBDHN CN1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736852259 598772525 /nfs/dbraw/zinc/77/25/25/598772525.db2.gz PETUSKJNMZXYPL-LLVKDONJSA-N 0 3 373.421 0.750 20 5 FCBDHN CN1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736852259 598772527 /nfs/dbraw/zinc/77/25/27/598772527.db2.gz PETUSKJNMZXYPL-LLVKDONJSA-N 0 3 373.421 0.750 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652244 606102473 /nfs/dbraw/zinc/10/24/73/606102473.db2.gz XJSHCGSJOXDAHC-NSHDSACASA-N 0 3 360.378 0.328 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650774 606165794 /nfs/dbraw/zinc/16/57/94/606165794.db2.gz AHTLHIMLZPMINM-UHFFFAOYSA-N 0 3 360.378 0.471 20 5 FCBDHN CCN(Cc1cn(C)nn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712978 674551246 /nfs/dbraw/zinc/55/12/46/674551246.db2.gz DWNZUOGDBQMJSQ-HUUCEWRRSA-N 0 3 350.423 0.541 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257022 664085500 /nfs/dbraw/zinc/08/55/00/664085500.db2.gz HDUQXZTWWSBXTO-FDYHWXHSSA-N 0 3 366.443 0.852 20 5 FCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000743264559 668046310 /nfs/dbraw/zinc/04/63/10/668046310.db2.gz SWDAJFBBELIKNM-GFCCVEGCSA-N 0 3 351.319 0.859 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813109357 669827617 /nfs/dbraw/zinc/82/76/17/669827617.db2.gz JASJNRDMDDZSGG-SECBINFHSA-N 0 3 361.332 0.472 20 5 FCBDHN CC(COC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[N+](=O)[O-] ZINC000813110487 669827765 /nfs/dbraw/zinc/82/77/65/669827765.db2.gz BRSLHYWZAIXFRX-GFCCVEGCSA-N 0 3 356.400 0.739 20 5 FCBDHN CC(COC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[N+](=O)[O-] ZINC000813111933 669828207 /nfs/dbraw/zinc/82/82/07/669828207.db2.gz BITXGBUGDNGHPR-SNVBAGLBSA-N 0 3 355.372 0.789 20 5 FCBDHN CC(COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[N+](=O)[O-] ZINC000813114751 669828260 /nfs/dbraw/zinc/82/82/60/669828260.db2.gz GHYXUIZWTSDLHB-LURJTMIESA-N 0 3 374.151 0.101 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114212 675373152 /nfs/dbraw/zinc/37/31/52/675373152.db2.gz AZJUPUZKTPTHAI-CHWSQXEVSA-N 0 3 350.375 0.291 20 5 FCBDHN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnn(-c2ccncc2)c1 ZINC000973254008 1182140414 /nfs/dbraw/zinc/14/04/14/1182140414.db2.gz GBVUFJFRKPHFIQ-QHSBEEBCSA-N 0 3 370.369 0.310 20 5 FCBDHN CC(C)(C)n1nnc(CCN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000981137690 1186330101 /nfs/dbraw/zinc/33/01/01/1186330101.db2.gz DVOZFNGWHQQKTR-CHWSQXEVSA-N 0 3 365.438 0.170 20 5 FCBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593855179 1196826776 /nfs/dbraw/zinc/82/67/76/1196826776.db2.gz FNXGMUTVHQUVGL-CQSZACIVSA-N 0 3 357.370 0.876 20 5 FCBDHN Cc1cnc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000594021003 1196847063 /nfs/dbraw/zinc/84/70/63/1196847063.db2.gz NAJPADFPPJVBGO-CQSZACIVSA-N 0 3 362.390 0.794 20 5 FCBDHN CC([C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875396 1204561489 /nfs/dbraw/zinc/56/14/89/1204561489.db2.gz KMZJTXOJRWTHQR-TVQRCGJNSA-N 0 3 365.317 0.786 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223239 1206266884 /nfs/dbraw/zinc/26/68/84/1206266884.db2.gz AHHXUUVHHWMQNY-UGSOOPFHSA-N 0 3 360.414 0.949 20 5 FCBDHN C[C@@]1(C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000776592986 1209545437 /nfs/dbraw/zinc/54/54/37/1209545437.db2.gz SJELBMIKURJUPO-PBHICJAKSA-N 0 3 362.386 0.938 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137035691 1210824120 /nfs/dbraw/zinc/82/41/20/1210824120.db2.gz RYVMICHLNBMHKD-QGZVFWFLSA-N 0 3 362.430 0.868 20 5 FCBDHN O=C(NC1CCN(C(=O)c2cncc3nc[nH]c32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000946995638 1211490441 /nfs/dbraw/zinc/49/04/41/1211490441.db2.gz IGBKOVSSGQIUFB-ZWNOBZJWSA-N 0 3 358.358 0.344 20 5 FCBDHN NC[C@H](N)C(=O)NCCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001221326811 1225299268 /nfs/dbraw/zinc/29/92/68/1225299268.db2.gz MVKOGDFOLAYFIK-HNNXBMFYSA-N 0 3 365.437 0.910 20 5 FCBDHN Cc1ncc(CN2CCC3(CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO3)o1 ZINC000949091776 1212289551 /nfs/dbraw/zinc/28/95/51/1212289551.db2.gz DVWMDZHYQFYNNX-HUUCEWRRSA-N 0 3 364.402 0.842 20 5 FCBDHN Cc1nccn1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010658106 1213806697 /nfs/dbraw/zinc/80/66/97/1213806697.db2.gz TVDMKPYXICAOBM-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN Cc1cncn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010736342 1213813025 /nfs/dbraw/zinc/81/30/25/1213813025.db2.gz RHBNEKLPJUFBHW-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN Cc1cc(CC(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n[nH]1 ZINC001013986359 1213913835 /nfs/dbraw/zinc/91/38/35/1213913835.db2.gz ANEZROMETOEZAE-FZOOGMQUSA-N 0 3 361.402 0.469 20 5 FCBDHN Cc1cc(CC(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)[nH]n1 ZINC001013986359 1213913838 /nfs/dbraw/zinc/91/38/38/1213913838.db2.gz ANEZROMETOEZAE-FZOOGMQUSA-N 0 3 361.402 0.469 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2nnnn2Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140529 1214313920 /nfs/dbraw/zinc/31/39/20/1214313920.db2.gz MYCCOOBUOUYDFC-KBUPBQIOSA-N 0 3 371.401 0.123 20 5 FCBDHN Cn1cnnc1CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001039486054 1214378771 /nfs/dbraw/zinc/37/87/71/1214378771.db2.gz ZSPLXESOZJGLLX-HUUCEWRRSA-N 0 3 362.434 0.683 20 5 FCBDHN COc1coc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)cc1=O ZINC001048813050 1218319308 /nfs/dbraw/zinc/31/93/08/1218319308.db2.gz XJQZOKWCWHMOHJ-ZMJPVWNMSA-N 0 3 363.370 0.204 20 5 FCBDHN Cc1ccoc1C(=O)NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574969 1219083744 /nfs/dbraw/zinc/08/37/44/1219083744.db2.gz GOJCUDMHUKKSHU-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN CCn1cc(CN2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)nn1 ZINC001035186653 1254020260 /nfs/dbraw/zinc/02/02/60/1254020260.db2.gz IIJHOAMUEPNWNH-HUUCEWRRSA-N 0 3 362.434 0.778 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O)(Cc3ccccn3)CC2)c1 ZINC001307921695 1263205651 /nfs/dbraw/zinc/20/56/51/1263205651.db2.gz OAQBXKLXGVIRNU-INIZCTEOSA-N 0 3 361.402 0.617 20 5 FCBDHN C[C@@H]1CN(CCCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001319370371 1263685114 /nfs/dbraw/zinc/68/51/14/1263685114.db2.gz QTDNLUADYPIQHW-OKILXGFUSA-N 0 3 366.418 0.762 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC001321813552 1264069115 /nfs/dbraw/zinc/06/91/15/1264069115.db2.gz HRZRBBMCGPWGOF-UHFFFAOYSA-N 0 3 364.402 0.772 20 5 FCBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001340763618 1268648702 /nfs/dbraw/zinc/64/87/02/1268648702.db2.gz RXNURBHYYLGLJV-UHFFFAOYSA-N 0 3 365.482 0.724 20 5 FCBDHN COCCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001341623692 1269116734 /nfs/dbraw/zinc/11/67/34/1269116734.db2.gz OJYOZJJHPFXNSO-ZDUSSCGKSA-N 0 3 368.438 0.391 20 5 FCBDHN COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001341640356 1269125883 /nfs/dbraw/zinc/12/58/83/1269125883.db2.gz MYHOJKXTALKPKG-ZIAGYGMSSA-N 0 3 368.438 0.421 20 5 FCBDHN COc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1nnn[n-]1 ZINC001591537053 1284722848 /nfs/dbraw/zinc/72/28/48/1284722848.db2.gz OYNIKVWMAIGFOR-LBPRGKRZSA-N 0 3 374.361 0.131 20 5 FCBDHN COc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1nn[n-]n1 ZINC001591537053 1284722858 /nfs/dbraw/zinc/72/28/58/1284722858.db2.gz OYNIKVWMAIGFOR-LBPRGKRZSA-N 0 3 374.361 0.131 20 5 FCBDHN Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006103 1285054381 /nfs/dbraw/zinc/05/43/81/1285054381.db2.gz DLPDLLHJJHDJED-MRXNPFEDSA-N 0 3 361.406 0.976 20 5 FCBDHN Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006103 1285054390 /nfs/dbraw/zinc/05/43/90/1285054390.db2.gz DLPDLLHJJHDJED-MRXNPFEDSA-N 0 3 361.406 0.976 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284234 1289046837 /nfs/dbraw/zinc/04/68/37/1289046837.db2.gz GXJKVCQLQILSIU-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284234 1289046839 /nfs/dbraw/zinc/04/68/39/1289046839.db2.gz GXJKVCQLQILSIU-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284234 1289046842 /nfs/dbraw/zinc/04/68/42/1289046842.db2.gz GXJKVCQLQILSIU-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284234 1289046845 /nfs/dbraw/zinc/04/68/45/1289046845.db2.gz GXJKVCQLQILSIU-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593486434 1286175566 /nfs/dbraw/zinc/17/55/66/1286175566.db2.gz SLLRBVJUWDZZHB-LBPRGKRZSA-N 0 3 374.405 0.907 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593486434 1286175570 /nfs/dbraw/zinc/17/55/70/1286175570.db2.gz SLLRBVJUWDZZHB-LBPRGKRZSA-N 0 3 374.405 0.907 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001593488148 1286177773 /nfs/dbraw/zinc/17/77/73/1286177773.db2.gz ZIFWQEFKAOMFFY-ZFWWWQNUSA-N 0 3 370.373 0.609 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001593488148 1286177777 /nfs/dbraw/zinc/17/77/77/1286177777.db2.gz ZIFWQEFKAOMFFY-ZFWWWQNUSA-N 0 3 370.373 0.609 20 5 FCBDHN O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001606523853 1288361471 /nfs/dbraw/zinc/36/14/71/1288361471.db2.gz IRQBKJROUXFVAG-UHFFFAOYSA-N 0 3 371.361 0.590 20 5 FCBDHN O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001606523853 1288361479 /nfs/dbraw/zinc/36/14/79/1288361479.db2.gz IRQBKJROUXFVAG-UHFFFAOYSA-N 0 3 371.361 0.590 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502013 1289183515 /nfs/dbraw/zinc/18/35/15/1289183515.db2.gz DKYPKZDLNSJSFU-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502013 1289183516 /nfs/dbraw/zinc/18/35/16/1289183516.db2.gz DKYPKZDLNSJSFU-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502013 1289183518 /nfs/dbraw/zinc/18/35/18/1289183518.db2.gz DKYPKZDLNSJSFU-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502013 1289183523 /nfs/dbraw/zinc/18/35/23/1289183523.db2.gz DKYPKZDLNSJSFU-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689326617 1294750947 /nfs/dbraw/zinc/75/09/47/1294750947.db2.gz VPIUINJEADYVAU-FGTRRKKMSA-N 0 3 366.443 0.877 20 5 FCBDHN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083198 842117738 /nfs/dbraw/zinc/11/77/38/842117738.db2.gz QOLAOQSQUSEEOM-YVECIDJPSA-N 0 3 350.423 0.683 20 5 FCBDHN CN(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)S(=O)(=O)CCN ZINC001156240890 849898775 /nfs/dbraw/zinc/89/87/75/849898775.db2.gz YOLVTVREVFNUTK-UHFFFAOYSA-N 0 3 355.351 0.916 20 5 FCBDHN COc1nc(N([C@H]2CCCNC2)S(=O)(=O)C(C)C)ncc1[N+](=O)[O-] ZINC001157989502 850009994 /nfs/dbraw/zinc/00/99/94/850009994.db2.gz JWJAVVYHKROLTQ-JTQLQIEISA-N 0 3 359.408 0.690 20 5 FCBDHN CC(C)N(C)C(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160098067 850153765 /nfs/dbraw/zinc/15/37/65/850153765.db2.gz RMTKWXYBBOMOMT-HUUCEWRRSA-N 0 3 352.435 0.657 20 5 FCBDHN COCCN1CCO[C@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025720 850603160 /nfs/dbraw/zinc/60/31/60/850603160.db2.gz UHOOYGQUCUQQOR-JONQDZQNSA-N 0 3 355.435 0.628 20 5 FCBDHN CNC(=O)CN(C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697971 850734543 /nfs/dbraw/zinc/73/45/43/850734543.db2.gz YIROUYZBPDYBOZ-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN COc1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC001304083377 866495023 /nfs/dbraw/zinc/49/50/23/866495023.db2.gz DKCWVCPBVDXEGF-JTQLQIEISA-N 0 3 351.359 0.815 20 5 FCBDHN CNC(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001308082695 866697826 /nfs/dbraw/zinc/69/78/26/866697826.db2.gz JKELQZPUSWZMMY-UHFFFAOYSA-N 0 3 350.375 0.808 20 5 FCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292292547 214091700 /nfs/dbraw/zinc/09/17/00/214091700.db2.gz UIDMCHHMYSGZRW-GFCCVEGCSA-N 0 3 370.431 0.889 20 5 FCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)N(C)C ZINC000294569870 214253863 /nfs/dbraw/zinc/25/38/63/214253863.db2.gz ZVWWBBVYKYCRFY-SECBINFHSA-N 0 3 365.419 0.949 20 5 FCBDHN COC[C@]1(C(=O)OC)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150299 214280471 /nfs/dbraw/zinc/28/04/71/214280471.db2.gz MADGXVSUQVEKGN-DYVFJYSZSA-N 0 3 368.386 0.846 20 5 FCBDHN C[C@H]([NH2+]C1CC1)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295259601 214288164 /nfs/dbraw/zinc/28/81/64/214288164.db2.gz UXHHHOXNKZAWEY-JTQLQIEISA-N 0 3 356.404 0.130 20 5 FCBDHN COC[C@]1(C(=O)OC)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175389 214335555 /nfs/dbraw/zinc/33/55/55/214335555.db2.gz IAXXYIUZNOLKOM-PBHICJAKSA-N 0 3 368.386 0.846 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000298179154 214522617 /nfs/dbraw/zinc/52/26/17/214522617.db2.gz UWNXMJNKNFCJMC-UHFFFAOYSA-N 0 3 363.418 0.263 20 5 FCBDHN CC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000265759874 210214561 /nfs/dbraw/zinc/21/45/61/210214561.db2.gz AHWQRTZRXPCZIA-NSHDSACASA-N 0 3 369.399 0.312 20 5 FCBDHN CN(CC(=O)NC[C@H]1CCCN1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265719857 210206099 /nfs/dbraw/zinc/20/60/99/210206099.db2.gz YSJGXEDROALFLE-CYBMUJFWSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265668589 210192975 /nfs/dbraw/zinc/19/29/75/210192975.db2.gz CZBWAHLUFIAFQS-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000411968121 237128526 /nfs/dbraw/zinc/12/85/26/237128526.db2.gz NRWUUBZBDNHTBO-SFHVURJKSA-N 0 3 356.382 0.886 20 5 FCBDHN NS(=O)(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000367142637 216082035 /nfs/dbraw/zinc/08/20/35/216082035.db2.gz ZCPWXXWOSPTYLT-UHFFFAOYSA-N 0 3 356.404 0.676 20 5 FCBDHN NC(=O)c1ccc(SCC(=O)NC[C@@H]2C[C@H](F)CN2)c([N+](=O)[O-])c1 ZINC000368215553 216218131 /nfs/dbraw/zinc/21/81/31/216218131.db2.gz OXGNEGGDURFYGD-UWVGGRQHSA-N 0 3 356.379 0.602 20 5 FCBDHN CN1CCC[C@H](N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359205 216389832 /nfs/dbraw/zinc/38/98/32/216389832.db2.gz PYTUGQMJODKSDZ-INIZCTEOSA-N 0 3 361.446 0.906 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000275838183 212100681 /nfs/dbraw/zinc/10/06/81/212100681.db2.gz DLSUBAKHHPCKMD-UHFFFAOYSA-N 0 3 372.447 0.519 20 5 FCBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275601137 212058403 /nfs/dbraw/zinc/05/84/03/212058403.db2.gz KUDKZWDDBFXNNV-UWVGGRQHSA-N 0 3 364.358 0.896 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373283432 217003613 /nfs/dbraw/zinc/00/36/13/217003613.db2.gz HCIPIJITXQXEBN-CYBMUJFWSA-N 0 3 365.350 0.594 20 5 FCBDHN C[C@H](CO)N1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500310 217274492 /nfs/dbraw/zinc/27/44/92/217274492.db2.gz XPQPULHYMVMNDQ-ZBFHGGJFSA-N 0 3 353.419 0.723 20 5 FCBDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423694288 247113893 /nfs/dbraw/zinc/11/38/93/247113893.db2.gz AOKIQCVCEYATRD-GFCCVEGCSA-N 0 3 364.402 0.770 20 5 FCBDHN CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423754271 247138720 /nfs/dbraw/zinc/13/87/20/247138720.db2.gz ZGONBPQHPJXVKN-ZDUSSCGKSA-N 0 3 370.431 0.377 20 5 FCBDHN [NH3+]C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423936498 247152227 /nfs/dbraw/zinc/15/22/27/247152227.db2.gz CNRAXDQKIIFNFL-LBPRGKRZSA-N 0 3 370.431 0.507 20 5 FCBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423950836 247154952 /nfs/dbraw/zinc/15/49/52/247154952.db2.gz OHKPXNORANTTIK-GFCCVEGCSA-N 0 3 356.404 0.069 20 5 FCBDHN COCCCNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441214168 248244049 /nfs/dbraw/zinc/24/40/49/248244049.db2.gz XFGLAMRONYXZJD-HNNXBMFYSA-N 0 3 369.422 0.017 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000452354617 249309922 /nfs/dbraw/zinc/30/99/22/249309922.db2.gz VUNYTNFDJAATQF-CQSZACIVSA-N 0 3 365.386 0.958 20 5 FCBDHN C[C@H](Cc1cnccn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000453098902 249343666 /nfs/dbraw/zinc/34/36/66/249343666.db2.gz XMTLTQRKEXGTQK-GFCCVEGCSA-N 0 3 365.415 0.884 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270889449 211293504 /nfs/dbraw/zinc/29/35/04/211293504.db2.gz QAWDVDYDEFVAQA-RDJZCZTQSA-N 0 3 373.413 0.791 20 5 FCBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583704 211229516 /nfs/dbraw/zinc/22/95/16/211229516.db2.gz RGQVLDSRDCIBLZ-KGLIPLIRSA-N 0 3 366.418 0.620 20 5 FCBDHN CN(C)CCOCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000471645484 250112364 /nfs/dbraw/zinc/11/23/64/250112364.db2.gz QYQOGPYSDLYNFC-UHFFFAOYSA-N 0 3 352.391 0.946 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472563299 250161067 /nfs/dbraw/zinc/16/10/67/250161067.db2.gz KUYIWSOKYJXICY-UHFFFAOYSA-N 0 3 356.354 0.757 20 5 FCBDHN COCCN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472598913 250166056 /nfs/dbraw/zinc/16/60/56/250166056.db2.gz GXLGRXKFCHGLBD-UHFFFAOYSA-N 0 3 368.365 0.899 20 5 FCBDHN CN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000104211012 208180536 /nfs/dbraw/zinc/18/05/36/208180536.db2.gz DKTRWHNCFFKIRW-UHFFFAOYSA-N 0 3 354.382 0.866 20 5 FCBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266059588 210274915 /nfs/dbraw/zinc/27/49/15/210274915.db2.gz YTHJAJGYRQAHBV-SNVBAGLBSA-N 0 3 359.404 0.985 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000178004072 209040236 /nfs/dbraw/zinc/04/02/36/209040236.db2.gz LTRDPRVEHPPMSA-GFCCVEGCSA-N 0 3 364.406 0.259 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000178477129 209050590 /nfs/dbraw/zinc/05/05/90/209050590.db2.gz VXMPKRGPMJQJPK-RDJZCZTQSA-N 0 3 365.430 0.989 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000247226714 229279187 /nfs/dbraw/zinc/27/91/87/229279187.db2.gz CZHKXQAXODUYRH-GOEBONIOSA-N 0 3 353.423 0.196 20 5 FCBDHN O=CN1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000278847900 488899676 /nfs/dbraw/zinc/89/96/76/488899676.db2.gz VHKQXVFVGGMOTN-UHFFFAOYSA-N 0 3 356.404 0.084 20 5 FCBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000278884357 488903375 /nfs/dbraw/zinc/90/33/75/488903375.db2.gz PMWQZEHWBBTYIF-ZDUSSCGKSA-N 0 3 351.407 0.893 20 5 FCBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000015206870 487576752 /nfs/dbraw/zinc/57/67/52/487576752.db2.gz VHYKMVUQFGNLHU-UHFFFAOYSA-N 0 3 358.420 0.589 20 5 FCBDHN C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000057716010 488274559 /nfs/dbraw/zinc/27/45/59/488274559.db2.gz JLCSGDGPHALTFB-NSHDSACASA-N 0 3 362.386 0.919 20 5 FCBDHN CNS(=O)(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000059363435 488287822 /nfs/dbraw/zinc/28/78/22/488287822.db2.gz WNVALVMLFMVOIJ-UHFFFAOYSA-N 0 3 372.447 0.762 20 5 FCBDHN CCN(CC)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063102063 488302475 /nfs/dbraw/zinc/30/24/75/488302475.db2.gz GMIUXGBLSQDCKM-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN1CCN(CCC(C)(C)NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000185572613 488401896 /nfs/dbraw/zinc/40/18/96/488401896.db2.gz ZRZNGRUZUZLSDV-UHFFFAOYSA-N 0 3 367.454 0.507 20 5 FCBDHN CC[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000268845705 488452960 /nfs/dbraw/zinc/45/29/60/488452960.db2.gz PNHFHSZJLJPJGI-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN C[S@](=O)C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000245882075 488466446 /nfs/dbraw/zinc/46/64/46/488466446.db2.gz NTKAQEZQBMRBRX-FENDNCTDSA-N 0 3 352.416 0.862 20 5 FCBDHN [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261828413 488537412 /nfs/dbraw/zinc/53/74/12/488537412.db2.gz TZCJKDMZYWMYCD-NWDGAFQWSA-N 0 3 370.431 0.507 20 5 FCBDHN CS(=O)(=O)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCNCC1 ZINC000262256191 488559603 /nfs/dbraw/zinc/55/96/03/488559603.db2.gz TWCFMEPBVTVDDJ-UHFFFAOYSA-N 0 3 370.431 0.290 20 5 FCBDHN CS(=O)(=O)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCNCC1 ZINC000262313468 488563364 /nfs/dbraw/zinc/56/33/64/488563364.db2.gz CARFYCPRLJDLGK-UHFFFAOYSA-N 0 3 355.416 0.420 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000262601819 488580392 /nfs/dbraw/zinc/58/03/92/488580392.db2.gz AAYJLISRVQOUEI-UHFFFAOYSA-N 0 3 368.415 0.227 20 5 FCBDHN Cc1nn(C)c(C(=O)NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000124117789 488590176 /nfs/dbraw/zinc/59/01/76/488590176.db2.gz DWZUQFZTPVFFBI-UHFFFAOYSA-N 0 3 362.390 0.902 20 5 FCBDHN C[C@@H]1NCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000262821764 488595366 /nfs/dbraw/zinc/59/53/66/488595366.db2.gz SQENJPQASBWBRM-UWVGGRQHSA-N 0 3 352.416 0.995 20 5 FCBDHN O=C1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125279862 488599825 /nfs/dbraw/zinc/59/98/25/488599825.db2.gz NYVJHROPGDIRDF-DAXOMENPSA-N 0 3 363.418 0.628 20 5 FCBDHN COCCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000263753227 488624484 /nfs/dbraw/zinc/62/44/84/488624484.db2.gz KCVSGHDACRCBCR-UHFFFAOYSA-N 0 3 352.391 0.374 20 5 FCBDHN COCCN(C)CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000263788215 488627023 /nfs/dbraw/zinc/62/70/23/488627023.db2.gz PZTPXFGUUSGGMT-UHFFFAOYSA-N 0 3 368.390 0.028 20 5 FCBDHN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000570060450 491213321 /nfs/dbraw/zinc/21/33/21/491213321.db2.gz VFIOBNQBTADGDZ-VIFPVBQESA-N 0 3 374.344 0.992 20 5 FCBDHN Cc1c(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000130619102 488639477 /nfs/dbraw/zinc/63/94/77/488639477.db2.gz QVZBNMIPCKVJHR-UHFFFAOYSA-N 0 3 365.434 0.794 20 5 FCBDHN CN(C)CCNS(=O)(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000273345335 488645248 /nfs/dbraw/zinc/64/52/48/488645248.db2.gz UIQQODXYSQIKHT-UHFFFAOYSA-N 0 3 371.463 0.185 20 5 FCBDHN CN(CC1CCN(C)CC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264244234 488657487 /nfs/dbraw/zinc/65/74/87/488657487.db2.gz VXIAKPUQTOAFBJ-UHFFFAOYSA-N 0 3 374.397 0.991 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000264289681 488660839 /nfs/dbraw/zinc/66/08/39/488660839.db2.gz UCVOAWKXTVYXAN-UHFFFAOYSA-N 0 3 352.391 0.878 20 5 FCBDHN CN(C)[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264518618 488681543 /nfs/dbraw/zinc/68/15/43/488681543.db2.gz BXIXKTQHSKEHEL-LLVKDONJSA-N 0 3 360.370 0.743 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000264601598 488689088 /nfs/dbraw/zinc/68/90/88/488689088.db2.gz KEGGLJCAEALJND-LBPRGKRZSA-N 0 3 350.423 0.732 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000264601598 488689089 /nfs/dbraw/zinc/68/90/89/488689089.db2.gz KEGGLJCAEALJND-LBPRGKRZSA-N 0 3 350.423 0.732 20 5 FCBDHN CN1CCN(CCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264599987 488689124 /nfs/dbraw/zinc/68/91/24/488689124.db2.gz WAQVFQSYRGSQCS-UHFFFAOYSA-N 0 3 364.402 0.540 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000264601597 488689282 /nfs/dbraw/zinc/68/92/82/488689282.db2.gz KEGGLJCAEALJND-GFCCVEGCSA-N 0 3 350.423 0.732 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000264601597 488689285 /nfs/dbraw/zinc/68/92/85/488689285.db2.gz KEGGLJCAEALJND-GFCCVEGCSA-N 0 3 350.423 0.732 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274457884 488709815 /nfs/dbraw/zinc/70/98/15/488709815.db2.gz NOOUEWPOKSUEDS-UHFFFAOYSA-N 0 3 358.782 0.617 20 5 FCBDHN CCN(CCO)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000274604981 488722839 /nfs/dbraw/zinc/72/28/39/488722839.db2.gz XVXKTLGNLAFJRG-OAHLLOKOSA-N 0 3 350.375 0.518 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153018838 488726240 /nfs/dbraw/zinc/72/62/40/488726240.db2.gz PBHMRRAFLNSEMH-INIZCTEOSA-N 0 3 360.414 0.902 20 5 FCBDHN CN1CCC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266897653 488741701 /nfs/dbraw/zinc/74/17/01/488741701.db2.gz XYUKBIIFVBUFBP-UHFFFAOYSA-N 0 3 370.431 0.331 20 5 FCBDHN COCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159771631 488787554 /nfs/dbraw/zinc/78/75/54/488787554.db2.gz UTJOLFGWXRCYOZ-UHFFFAOYSA-N 0 3 366.418 0.621 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000173732021 488844945 /nfs/dbraw/zinc/84/49/45/488844945.db2.gz CZHKXQAXODUYRH-ZBFHGGJFSA-N 0 3 353.423 0.196 20 5 FCBDHN Cc1nn(CCC(=O)N[C@H](CO)CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000288642764 489000565 /nfs/dbraw/zinc/00/05/65/489000565.db2.gz XNDQCLKFHLWTSW-AWEZNQCLSA-N 0 3 353.423 0.761 20 5 FCBDHN O=C1N[C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281276026 489064756 /nfs/dbraw/zinc/06/47/56/489064756.db2.gz IIVSSXCAMYLYSR-ZLDLUXBVSA-N 0 3 351.359 0.765 20 5 FCBDHN CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290013254 489108515 /nfs/dbraw/zinc/10/85/15/489108515.db2.gz QMBOWLRVNIJLNN-NEPJUHHUSA-N 0 3 370.431 0.377 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297941476 489266185 /nfs/dbraw/zinc/26/61/85/489266185.db2.gz SBRRYIPVJRVNQI-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN CCN1CCC(NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000283652936 489286314 /nfs/dbraw/zinc/28/63/14/489286314.db2.gz ZBBWQNKISPQHKT-UHFFFAOYSA-N 0 3 374.401 0.688 20 5 FCBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N(C)C ZINC000298481620 489330085 /nfs/dbraw/zinc/33/00/85/489330085.db2.gz UNJJNSWOJWCBHC-GFCCVEGCSA-N 0 3 372.447 0.978 20 5 FCBDHN COc1cc(CCNC(=O)C(C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000298522070 489334473 /nfs/dbraw/zinc/33/44/73/489334473.db2.gz WASOGQWFOGFPGX-VIFPVBQESA-N 0 3 360.388 0.704 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000570570128 491250125 /nfs/dbraw/zinc/25/01/25/491250125.db2.gz PIWFCGBHFFPYHJ-CQSZACIVSA-N 0 3 360.374 0.888 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000362933036 489406315 /nfs/dbraw/zinc/40/63/15/489406315.db2.gz RLUGADATNYXLKL-STQMWFEESA-N 0 3 362.386 0.821 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363539740 489477696 /nfs/dbraw/zinc/47/76/96/489477696.db2.gz OFKWUWGQCGRGGK-ZDUSSCGKSA-N 0 3 350.423 0.489 20 5 FCBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451671934 489516579 /nfs/dbraw/zinc/51/65/79/489516579.db2.gz ZXWLGXDMHOOYPX-LZWOXQAQSA-N 0 3 353.419 0.721 20 5 FCBDHN CN(C)CCOCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426212692 489559289 /nfs/dbraw/zinc/55/92/89/489559289.db2.gz JBMYBALRHIQPPI-UHFFFAOYSA-N 0 3 354.411 0.716 20 5 FCBDHN CN(C)C1(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416301615 489580425 /nfs/dbraw/zinc/58/04/25/489580425.db2.gz LTLHKMBUVJGQCG-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CN1CC[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000416493654 489601166 /nfs/dbraw/zinc/60/11/66/489601166.db2.gz FWKKHPFAPHNACJ-JTQLQIEISA-N 0 3 357.388 0.596 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000474364980 489756637 /nfs/dbraw/zinc/75/66/37/489756637.db2.gz DXLQWWKWLPARHQ-LBPRGKRZSA-N 0 3 372.399 0.671 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000376898350 489813924 /nfs/dbraw/zinc/81/39/24/489813924.db2.gz VYGKFRYVTBQEQF-WDEREUQCSA-N 0 3 356.404 0.517 20 5 FCBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000431938366 489824058 /nfs/dbraw/zinc/82/40/58/489824058.db2.gz NZYULBNSGWUISY-YCPHGPKFSA-N 0 3 364.406 0.622 20 5 FCBDHN COC(=O)COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475671756 489840767 /nfs/dbraw/zinc/84/07/67/489840767.db2.gz BSAFBFQDLJOEJB-MRXNPFEDSA-N 0 3 351.359 0.844 20 5 FCBDHN COC(=O)COc1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475671755 489841236 /nfs/dbraw/zinc/84/12/36/489841236.db2.gz BSAFBFQDLJOEJB-INIZCTEOSA-N 0 3 351.359 0.844 20 5 FCBDHN CNc1nccc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000571059821 491283372 /nfs/dbraw/zinc/28/33/72/491283372.db2.gz WMCAOZTWNRDHSY-LBPRGKRZSA-N 0 3 351.407 1.262 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000476353511 489882326 /nfs/dbraw/zinc/88/23/26/489882326.db2.gz APPINPGOLHSEMS-UHFFFAOYSA-N 0 3 374.401 0.550 20 5 FCBDHN NC[C@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000420058827 489898136 /nfs/dbraw/zinc/89/81/36/489898136.db2.gz JDPVJGRGSGIAGZ-ZDUSSCGKSA-N 0 3 361.402 0.097 20 5 FCBDHN Cn1cc([C@@H](CO)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000494812263 489914599 /nfs/dbraw/zinc/91/45/99/489914599.db2.gz RRQVCIXSUDGXRD-CYBMUJFWSA-N 0 3 361.358 0.950 20 5 FCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000435003848 489973704 /nfs/dbraw/zinc/97/37/04/489973704.db2.gz OEWGKGQDJDNJLF-INIZCTEOSA-N 0 3 366.418 0.548 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCCO1)OCCO2 ZINC000420448400 489978842 /nfs/dbraw/zinc/97/88/42/489978842.db2.gz DSZKHDSQGZBANV-SNVBAGLBSA-N 0 3 373.387 0.023 20 5 FCBDHN Cc1cc(=O)c(C(=O)N2CCO[C@H](CN)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000478717458 490032912 /nfs/dbraw/zinc/03/29/12/490032912.db2.gz ITELEUBWBUHNPS-GFCCVEGCSA-N 0 3 373.369 0.249 20 5 FCBDHN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000571299291 491299083 /nfs/dbraw/zinc/29/90/83/491299083.db2.gz ZEPBFFCUDRGAQZ-GFCCVEGCSA-N 0 3 352.391 0.546 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546086500 490184850 /nfs/dbraw/zinc/18/48/50/490184850.db2.gz CRYBKNJKPBLTKT-UHFFFAOYSA-N 0 3 364.406 0.245 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000546145535 490198307 /nfs/dbraw/zinc/19/83/07/490198307.db2.gz JCPHMCSXAULSGM-ZDUSSCGKSA-N 0 3 362.434 0.813 20 5 FCBDHN COC[C@H](C)OC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305191 490216078 /nfs/dbraw/zinc/21/60/78/490216078.db2.gz LDAUMGWYZWMYDN-GZBFAFLISA-N 0 3 354.407 0.888 20 5 FCBDHN COC[C@H](C)OC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305193 490216198 /nfs/dbraw/zinc/21/61/98/490216198.db2.gz LDAUMGWYZWMYDN-YDHLFZDLSA-N 0 3 354.407 0.888 20 5 FCBDHN CCN1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000497967873 490241015 /nfs/dbraw/zinc/24/10/15/490241015.db2.gz KGOFTTYILVPONW-UHFFFAOYSA-N 0 3 352.439 0.634 20 5 FCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2CS(=O)(=O)CCO2)n1 ZINC000447580373 490245267 /nfs/dbraw/zinc/24/52/67/490245267.db2.gz OGHUMMCSMQIZQU-RWMBFGLXSA-N 0 3 358.420 0.678 20 5 FCBDHN CC(C)NS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000521612582 490282599 /nfs/dbraw/zinc/28/25/99/490282599.db2.gz NTXBWKHWIUJXPQ-UHFFFAOYSA-N 0 3 358.420 0.841 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000521857313 490303319 /nfs/dbraw/zinc/30/33/19/490303319.db2.gz GQVYFVPVJHHXOP-UHFFFAOYSA-N 0 3 351.407 0.606 20 5 FCBDHN Cc1nn(CCC(=O)NC2(CCO)CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000499125371 490390632 /nfs/dbraw/zinc/39/06/32/490390632.db2.gz GEDICCLXTJZBAF-UHFFFAOYSA-N 0 3 353.423 0.761 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449655738 490417991 /nfs/dbraw/zinc/41/79/91/490417991.db2.gz HSADIRMIHIYYTH-CABZTGNLSA-N 0 3 356.329 0.827 20 5 FCBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000449661862 490420273 /nfs/dbraw/zinc/42/02/73/490420273.db2.gz JXFBLLSLVIKXAZ-LBPRGKRZSA-N 0 3 352.301 0.903 20 5 FCBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CC4(CO)COC4)CC3)nc2c1 ZINC000548160158 490430723 /nfs/dbraw/zinc/43/07/23/490430723.db2.gz AZFPNYDHQAVIOV-UHFFFAOYSA-N 0 3 361.402 0.992 20 5 FCBDHN CN1CCN(c2ccncc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000523318040 490455679 /nfs/dbraw/zinc/45/56/79/490455679.db2.gz GWBDSJZQPCIYJC-UHFFFAOYSA-N 0 3 372.385 0.542 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000450589199 490474212 /nfs/dbraw/zinc/47/42/12/490474212.db2.gz CHAAFKWECIYISJ-LBPRGKRZSA-N 0 3 358.420 0.501 20 5 FCBDHN Nc1nccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000548386532 490477062 /nfs/dbraw/zinc/47/70/62/490477062.db2.gz CNKYQBMRYKATPU-CQSZACIVSA-N 0 3 371.397 1.069 20 5 FCBDHN [NH3+]CC1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000422816029 490479690 /nfs/dbraw/zinc/47/96/90/490479690.db2.gz DAJWLBSQOVEWLG-UHFFFAOYSA-N 0 3 356.404 0.261 20 5 FCBDHN CCC([NH3+])(CC)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422879274 490491781 /nfs/dbraw/zinc/49/17/81/490491781.db2.gz MCENECILKARCOM-UHFFFAOYSA-N 0 3 358.420 0.507 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000571824193 491331363 /nfs/dbraw/zinc/33/13/63/491331363.db2.gz NJDZOFGEVQYWPE-KOLCDFICSA-N 0 3 368.415 0.597 20 5 FCBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000524267088 490528749 /nfs/dbraw/zinc/52/87/49/490528749.db2.gz COVJNRVFHRVXET-BETUJISGSA-N 0 3 366.422 0.534 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548958715 490555977 /nfs/dbraw/zinc/55/59/77/490555977.db2.gz GLFXDROEZCRUDA-AWEZNQCLSA-N 0 3 374.401 0.337 20 5 FCBDHN C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391982 490617399 /nfs/dbraw/zinc/61/73/99/490617399.db2.gz DDYXYGBBXHUNIT-VXGBXAGGSA-N 0 3 370.431 0.187 20 5 FCBDHN C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391982 490617406 /nfs/dbraw/zinc/61/74/06/490617406.db2.gz DDYXYGBBXHUNIT-VXGBXAGGSA-N 0 3 370.431 0.187 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525765881 490629448 /nfs/dbraw/zinc/62/94/48/490629448.db2.gz TYDNGRDAYQOYBY-AAEUAGOBSA-N 0 3 364.402 0.932 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000501739134 490638980 /nfs/dbraw/zinc/63/89/80/490638980.db2.gz KFKDTIYQQLFMLN-GJZGRUSLSA-N 0 3 373.413 0.941 20 5 FCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000537962130 490703590 /nfs/dbraw/zinc/70/35/90/490703590.db2.gz LQLWDVLMDGDKQV-RISCZKNCSA-N 0 3 371.415 0.715 20 5 FCBDHN CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000502731243 490717632 /nfs/dbraw/zinc/71/76/32/490717632.db2.gz RELJVFUIAMAZMK-UHFFFAOYSA-N 0 3 363.418 0.947 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000502920875 490730595 /nfs/dbraw/zinc/73/05/95/490730595.db2.gz UDNYNQSYJBLFGE-QGZVFWFLSA-N 0 3 362.386 0.951 20 5 FCBDHN CC1CCN(C[C@@H](O)CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000541117637 490850712 /nfs/dbraw/zinc/85/07/12/490850712.db2.gz VOPJKELWCWODAP-ZDUSSCGKSA-N 0 3 372.447 0.747 20 5 FCBDHN C[C@]1(C[NH3+])CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516771806 490877747 /nfs/dbraw/zinc/87/77/47/490877747.db2.gz ZSFUOZKIVWLSKX-CQSZACIVSA-N 0 3 356.404 0.070 20 5 FCBDHN CN(C)CCOC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000542973193 490917024 /nfs/dbraw/zinc/91/70/24/490917024.db2.gz SJICMSUIXTWPRZ-UHFFFAOYSA-N 0 3 372.447 0.789 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000569716660 491184685 /nfs/dbraw/zinc/18/46/85/491184685.db2.gz RSXJFGOPWCUWAN-IAGOWNOFSA-N 0 3 361.402 0.831 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554234210 491186832 /nfs/dbraw/zinc/18/68/32/491186832.db2.gz WXHSEEGOGSAZDJ-UHFFFAOYSA-N 0 3 352.395 0.050 20 5 FCBDHN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCN(C)C ZINC000573240298 491421822 /nfs/dbraw/zinc/42/18/22/491421822.db2.gz REHZTXJBGHFIAB-LBPRGKRZSA-N 0 3 374.401 0.577 20 5 FCBDHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573685043 491448331 /nfs/dbraw/zinc/44/83/31/491448331.db2.gz ZEBSCJCEOBJLIX-RYUDHWBXSA-N 0 3 370.431 0.507 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000566497330 491449064 /nfs/dbraw/zinc/44/90/64/491449064.db2.gz YVKTWFZOHWVVQW-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(N2CCNCC2)n[nH]1 ZINC000567165221 491489452 /nfs/dbraw/zinc/48/94/52/491489452.db2.gz URXMEKOFISGPAK-UHFFFAOYSA-N 0 3 360.378 0.563 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000574453678 491497767 /nfs/dbraw/zinc/49/77/67/491497767.db2.gz AXAZGXSUJBGQJY-MNOVXSKESA-N 0 3 356.404 0.130 20 5 FCBDHN Nc1nccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574463842 491498748 /nfs/dbraw/zinc/49/87/48/491498748.db2.gz VVQKZCNNUIVGKR-GOSISDBHSA-N 0 3 371.397 0.939 20 5 FCBDHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000575880189 491567281 /nfs/dbraw/zinc/56/72/81/491567281.db2.gz MKHKANYYLPUQLD-VIFPVBQESA-N 0 3 356.354 0.539 20 5 FCBDHN N[C@H]1C[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CCN2C1=O ZINC000575882163 491567755 /nfs/dbraw/zinc/56/77/55/491567755.db2.gz KZLUOLLNDWPYLN-OLZOCXBDSA-N 0 3 358.358 0.389 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000575921731 491570187 /nfs/dbraw/zinc/57/01/87/491570187.db2.gz MKLVXLNUXSQABL-LBPRGKRZSA-N 0 3 370.373 0.999 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414506 491575477 /nfs/dbraw/zinc/57/54/77/491575477.db2.gz MWOAWMJLKFHHOF-CHWSQXEVSA-N 0 3 370.369 0.165 20 5 FCBDHN NC(=O)c1cccc(NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000561233680 491586819 /nfs/dbraw/zinc/58/68/19/491586819.db2.gz SBFZSTZNKGHBCL-UHFFFAOYSA-N 0 3 365.434 0.496 20 5 FCBDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000561230635 491586825 /nfs/dbraw/zinc/58/68/25/491586825.db2.gz ZCASTLKHLHHIFJ-ZDUSSCGKSA-N 0 3 350.375 0.430 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000577145594 491595380 /nfs/dbraw/zinc/59/53/80/491595380.db2.gz FVCFCJIKDYRDNR-ZDUSSCGKSA-N 0 3 366.418 0.855 20 5 FCBDHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000569121073 491635506 /nfs/dbraw/zinc/63/55/06/491635506.db2.gz BBGXNVYTFYEFOB-RYUDHWBXSA-N 0 3 363.374 0.057 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580947908 491752832 /nfs/dbraw/zinc/75/28/32/491752832.db2.gz SLRVDHDUXDYQPA-ZIAGYGMSSA-N 0 3 373.431 0.348 20 5 FCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000589101376 491755294 /nfs/dbraw/zinc/75/52/94/491755294.db2.gz BJDQZUVWMWLGGX-GFCCVEGCSA-N 0 3 372.447 0.714 20 5 FCBDHN C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581140986 491761234 /nfs/dbraw/zinc/76/12/34/491761234.db2.gz TZZCJPGVJNEFNH-WDEREUQCSA-N 0 3 356.404 0.211 20 5 FCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000590372190 491774415 /nfs/dbraw/zinc/77/44/15/491774415.db2.gz XSIKBXITJNUFQT-CQSZACIVSA-N 0 3 364.402 0.288 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)CN2CCCCC2)c1 ZINC000582122332 491798881 /nfs/dbraw/zinc/79/88/81/491798881.db2.gz KGMOSJQGMRBSRT-GDBMZVCRSA-N 0 3 353.419 0.771 20 5 FCBDHN Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000582574015 491818585 /nfs/dbraw/zinc/81/85/85/491818585.db2.gz ZOFRPPWJLBYPSY-KBPBESRZSA-N 0 3 360.374 0.231 20 5 FCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1OC ZINC000583258525 491840970 /nfs/dbraw/zinc/84/09/70/491840970.db2.gz ZXLCDTDFRUZUQV-ZDUSSCGKSA-N 0 3 366.374 0.968 20 5 FCBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1OC ZINC000584200190 491860594 /nfs/dbraw/zinc/86/05/94/491860594.db2.gz QQEIVXNAMGOMFJ-STQMWFEESA-N 0 3 353.375 0.749 20 5 FCBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594877380 491870489 /nfs/dbraw/zinc/87/04/89/491870489.db2.gz PBTYERUCVLTJFS-SUHUHFCYSA-N 0 3 364.427 0.846 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000598343454 492095515 /nfs/dbraw/zinc/09/55/15/492095515.db2.gz VLTSMYCMSVRLJD-LLVKDONJSA-N 0 3 370.431 0.765 20 5 FCBDHN CCCN1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000598343455 492095564 /nfs/dbraw/zinc/09/55/64/492095564.db2.gz VLTSMYCMSVRLJD-NSHDSACASA-N 0 3 370.431 0.765 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000598342011 492095667 /nfs/dbraw/zinc/09/56/67/492095667.db2.gz BDNQPPLBXHCRAN-LLVKDONJSA-N 0 3 360.370 0.791 20 5 FCBDHN COCCN(C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896965 492120858 /nfs/dbraw/zinc/12/08/58/492120858.db2.gz SSXWTRRBRPGWAL-UHFFFAOYSA-N 0 3 353.379 0.411 20 5 FCBDHN COCCN(C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000608891297 492195007 /nfs/dbraw/zinc/19/50/07/492195007.db2.gz DVFASHINBBXFHS-LBPRGKRZSA-N 0 3 352.391 0.408 20 5 FCBDHN CCN(CCN)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000599888189 492214176 /nfs/dbraw/zinc/21/41/76/492214176.db2.gz RWMQOJSPBMPPAL-UHFFFAOYSA-N 0 3 352.347 0.502 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000610184508 492236750 /nfs/dbraw/zinc/23/67/50/492236750.db2.gz MXCVJIJLYHQCDB-UHFFFAOYSA-N 0 3 363.378 0.060 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545862655 546887636 /nfs/dbraw/zinc/88/76/36/546887636.db2.gz QGWQFBRXZWDBLZ-IAQYHMDHSA-N 0 3 354.411 0.010 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000592429181 546949788 /nfs/dbraw/zinc/94/97/88/546949788.db2.gz BJFGHTQIYRXHMB-OCCSQVGLSA-N 0 3 350.379 0.008 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592487720 546951816 /nfs/dbraw/zinc/95/18/16/546951816.db2.gz YJTGTLYTEKLAMH-AWEZNQCLSA-N 0 3 371.415 0.205 20 5 FCBDHN NC[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450868 546998773 /nfs/dbraw/zinc/99/87/73/546998773.db2.gz VTAJFQHDYVPLJK-SECBINFHSA-N 0 3 366.321 0.792 20 5 FCBDHN C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736797786 599059996 /nfs/dbraw/zinc/05/99/96/599059996.db2.gz LRTCJKASGRIUMC-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736797786 599059999 /nfs/dbraw/zinc/05/99/99/599059999.db2.gz LRTCJKASGRIUMC-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736797786 599060002 /nfs/dbraw/zinc/06/00/02/599060002.db2.gz LRTCJKASGRIUMC-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736797786 599060005 /nfs/dbraw/zinc/06/00/05/599060005.db2.gz LRTCJKASGRIUMC-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000823620788 606698438 /nfs/dbraw/zinc/69/84/38/606698438.db2.gz QHLBEOWLKSQCHI-UHFFFAOYSA-N 0 3 374.405 0.719 20 5 FCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226614 608438982 /nfs/dbraw/zinc/43/89/82/608438982.db2.gz CPBWTLVMUYJBHD-WDEREUQCSA-N 0 3 350.408 0.652 20 5 FCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000826226614 608438983 /nfs/dbraw/zinc/43/89/83/608438983.db2.gz CPBWTLVMUYJBHD-WDEREUQCSA-N 0 3 350.408 0.652 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778273027 668357871 /nfs/dbraw/zinc/35/78/71/668357871.db2.gz MGRJCVPUBSSCPH-UHFFFAOYSA-N 0 3 364.431 0.967 20 5 FCBDHN O=C1NCC2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000782000476 668542469 /nfs/dbraw/zinc/54/24/69/668542469.db2.gz XHWHIAYYFUSTKK-CYBMUJFWSA-N 0 3 351.359 0.909 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825888280 669472717 /nfs/dbraw/zinc/47/27/17/669472717.db2.gz WAUGCJOJFHEAQV-CJNGLKHVSA-N 0 3 350.419 0.770 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813113981 669828127 /nfs/dbraw/zinc/82/81/27/669828127.db2.gz KOPMPIGTGODQEQ-WCQYABFASA-N 0 3 372.399 0.966 20 5 FCBDHN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114613 669828245 /nfs/dbraw/zinc/82/82/45/669828245.db2.gz UKBQINMTSMHRCK-LLVKDONJSA-N 0 3 360.388 0.962 20 5 FCBDHN CC(COC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813115515 669828514 /nfs/dbraw/zinc/82/85/14/669828514.db2.gz UKFSRXCLUKEXPU-BJOHPYRUSA-N 0 3 353.306 0.801 20 5 FCBDHN CC(COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113077 669828526 /nfs/dbraw/zinc/82/85/26/669828526.db2.gz ADHPTTBFBKQPCD-WDEREUQCSA-N 0 3 359.379 0.711 20 5 FCBDHN CC([C@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876072 671045143 /nfs/dbraw/zinc/04/51/43/671045143.db2.gz NBNJQTAQEMRBKK-OQPBUACISA-N 0 3 351.294 0.466 20 5 FCBDHN Cc1nn(C)c(Cl)c1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048814372 675898582 /nfs/dbraw/zinc/89/85/82/675898582.db2.gz ICVHMGQGONQGEF-GFQSEFKGSA-N 0 3 367.837 0.937 20 5 FCBDHN CN(CC1CCN(C(=O)CCc2nnc[nH]2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988505657 1192234621 /nfs/dbraw/zinc/23/46/21/1192234621.db2.gz PGGOIBGXSUVPCZ-CHWSQXEVSA-N 0 3 364.406 0.100 20 5 FCBDHN O=C(N[C@H]1C[C@H](CNCc2nc(-c3ccco3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653165 1188248705 /nfs/dbraw/zinc/24/87/05/1188248705.db2.gz HGEQEVQRSNHLCA-DDHJBXDOSA-N 0 3 361.358 0.979 20 5 FCBDHN COC(=O)c1cn([C@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878171 1196525757 /nfs/dbraw/zinc/52/57/57/1196525757.db2.gz BFCJUTCIMPKRMD-ZFWWWQNUSA-N 0 3 361.358 0.953 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nc(-c3ccoc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083252 1198141137 /nfs/dbraw/zinc/14/11/37/1198141137.db2.gz RZCAGDNFRATITD-GWNIPJSYSA-N 0 3 361.358 0.979 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nc3ccccc3c(=O)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083363 1198143792 /nfs/dbraw/zinc/14/37/92/1198143792.db2.gz WDTBHIBZWFXTDG-NDPMZMCLSA-N 0 3 371.397 0.985 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808161087 1202875341 /nfs/dbraw/zinc/87/53/41/1202875341.db2.gz QHNYQMZBTZXIPC-IGCXYCKISA-N 0 3 374.397 0.755 20 5 FCBDHN CC(C)OCCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131353912 1202889103 /nfs/dbraw/zinc/88/91/03/1202889103.db2.gz IUFBZRIBORQAPZ-HUUCEWRRSA-N 0 3 370.450 0.117 20 5 FCBDHN CC([C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845873461 1204561916 /nfs/dbraw/zinc/56/19/16/1204561916.db2.gz DLXNBMJAAXEEQP-BMIGLBTASA-N 0 3 365.317 0.636 20 5 FCBDHN CCOC(=O)CNC(=O)CN[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176285 1206265893 /nfs/dbraw/zinc/26/58/93/1206265893.db2.gz FSKDNNJWFOVNHG-JTQLQIEISA-N 0 3 371.365 0.942 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861709985 1209875722 /nfs/dbraw/zinc/87/57/22/1209875722.db2.gz MOQPHWCVKSWQTO-GJZGRUSLSA-N 0 3 359.386 0.612 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137035737 1210824129 /nfs/dbraw/zinc/82/41/29/1210824129.db2.gz RYVMICHLNBMHKD-KRWDZBQOSA-N 0 3 362.430 0.868 20 5 FCBDHN O=C(c1ccn2cncc2c1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013998 1214178732 /nfs/dbraw/zinc/17/87/32/1214178732.db2.gz PVGZLLKIUIXWBA-HUUCEWRRSA-N 0 3 369.381 0.674 20 5 FCBDHN Cc1nccn1CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963968038 1214880484 /nfs/dbraw/zinc/88/04/84/1214880484.db2.gz QROBFSGRZTUNNJ-KBUPBQIOSA-N 0 3 363.418 0.648 20 5 FCBDHN CC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC=CC1 ZINC001055633436 1215893349 /nfs/dbraw/zinc/89/33/49/1215893349.db2.gz ODDSSLBTVZMWKP-HUUCEWRRSA-N 0 3 364.446 0.705 20 5 FCBDHN CCn1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001048525236 1218279117 /nfs/dbraw/zinc/27/91/17/1218279117.db2.gz PMWJFMIQNHPFSI-DPZJBDQQSA-N 0 3 362.434 0.822 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000725894497 1219619161 /nfs/dbraw/zinc/61/91/61/1219619161.db2.gz BQUITOQOAKWMPG-HUUCEWRRSA-N 0 3 359.386 0.924 20 5 FCBDHN O=C(NCCO)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784139945 1221232167 /nfs/dbraw/zinc/23/21/67/1221232167.db2.gz ZOBBXVVKHMDYDV-AWEZNQCLSA-N 0 3 367.402 0.155 20 5 FCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000836847728 1222629824 /nfs/dbraw/zinc/62/98/24/1222629824.db2.gz CORNVDAWSZLZCH-SMDDNHRTSA-N 0 3 363.370 0.957 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157012481 1223065649 /nfs/dbraw/zinc/06/56/49/1223065649.db2.gz GGRUYYQZMCPFKR-BZNIZROVSA-N 0 3 360.370 0.677 20 5 FCBDHN O=C(NCCCNCc1nnc(Cc2ccccc2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001157774843 1223081766 /nfs/dbraw/zinc/08/17/66/1223081766.db2.gz CRJOXTAAYIFXEW-ZIAGYGMSSA-N 0 3 359.386 0.922 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001345305694 1261669535 /nfs/dbraw/zinc/66/95/35/1261669535.db2.gz WRIXEFZXMMBRSJ-CQSZACIVSA-N 0 3 364.402 0.642 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O)(Cc3ccccn3)CC2)c1 ZINC001307921697 1263205737 /nfs/dbraw/zinc/20/57/37/1263205737.db2.gz OAQBXKLXGVIRNU-MRXNPFEDSA-N 0 3 361.402 0.617 20 5 FCBDHN CNC(=O)C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOCC1 ZINC001308084021 1263211948 /nfs/dbraw/zinc/21/19/48/1263211948.db2.gz UHVMFLOGMFHEMM-UHFFFAOYSA-N 0 3 368.365 0.947 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319375276 1263685405 /nfs/dbraw/zinc/68/54/05/1263685405.db2.gz DHTFCDJILVITDQ-CQSZACIVSA-N 0 3 365.434 0.146 20 5 FCBDHN C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC001322521160 1264210715 /nfs/dbraw/zinc/21/07/15/1264210715.db2.gz PDWMKXFJFZXKSK-CYBMUJFWSA-N 0 3 366.422 0.144 20 5 FCBDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001324534838 1264666531 /nfs/dbraw/zinc/66/65/31/1264666531.db2.gz LICPQNKXZNJXNX-UHFFFAOYSA-N 0 3 366.418 0.888 20 5 FCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001580622490 1278574060 /nfs/dbraw/zinc/57/40/60/1278574060.db2.gz HEVXSZBVGCYTFX-JTQLQIEISA-N 0 3 353.400 0.540 20 5 FCBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]2)c1 ZINC001580875036 1279080435 /nfs/dbraw/zinc/08/04/35/1279080435.db2.gz VFNJZVGUWLIDIJ-ZETCQYMHSA-N 0 3 350.194 0.998 20 5 FCBDHN CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589322223 1282837841 /nfs/dbraw/zinc/83/78/41/1282837841.db2.gz WXAAUVDOQWJVAL-AWEZNQCLSA-N 0 3 372.389 0.857 20 5 FCBDHN CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589322223 1282837850 /nfs/dbraw/zinc/83/78/50/1282837850.db2.gz WXAAUVDOQWJVAL-AWEZNQCLSA-N 0 3 372.389 0.857 20 5 FCBDHN COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591420937 1284570815 /nfs/dbraw/zinc/57/08/15/1284570815.db2.gz TUHHGFHXGYXCCM-UHFFFAOYSA-N 0 3 350.383 0.737 20 5 FCBDHN COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591420937 1284570819 /nfs/dbraw/zinc/57/08/19/1284570819.db2.gz TUHHGFHXGYXCCM-UHFFFAOYSA-N 0 3 350.383 0.737 20 5 FCBDHN COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591420937 1284570829 /nfs/dbraw/zinc/57/08/29/1284570829.db2.gz TUHHGFHXGYXCCM-UHFFFAOYSA-N 0 3 350.383 0.737 20 5 FCBDHN COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591420937 1284570836 /nfs/dbraw/zinc/57/08/36/1284570836.db2.gz TUHHGFHXGYXCCM-UHFFFAOYSA-N 0 3 350.383 0.737 20 5 FCBDHN Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002510 1285053985 /nfs/dbraw/zinc/05/39/85/1285053985.db2.gz YWIBXPXJRDQHJN-UHFFFAOYSA-N 0 3 361.406 0.976 20 5 FCBDHN Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002510 1285053991 /nfs/dbraw/zinc/05/39/91/1285053991.db2.gz YWIBXPXJRDQHJN-UHFFFAOYSA-N 0 3 361.406 0.976 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC001593484868 1286173505 /nfs/dbraw/zinc/17/35/05/1286173505.db2.gz KXWHYHQIYPNZMV-LLVKDONJSA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC001593484868 1286173509 /nfs/dbraw/zinc/17/35/09/1286173509.db2.gz KXWHYHQIYPNZMV-LLVKDONJSA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC001593484868 1286173512 /nfs/dbraw/zinc/17/35/12/1286173512.db2.gz KXWHYHQIYPNZMV-LLVKDONJSA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC001593484868 1286173515 /nfs/dbraw/zinc/17/35/15/1286173515.db2.gz KXWHYHQIYPNZMV-LLVKDONJSA-N 0 3 360.378 0.835 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001600488282 1286497267 /nfs/dbraw/zinc/49/72/67/1286497267.db2.gz PCNOCRLQTNVKAA-AWEZNQCLSA-N 0 3 350.375 0.980 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001600488282 1286497272 /nfs/dbraw/zinc/49/72/72/1286497272.db2.gz PCNOCRLQTNVKAA-AWEZNQCLSA-N 0 3 350.375 0.980 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001600488283 1286497401 /nfs/dbraw/zinc/49/74/01/1286497401.db2.gz PCNOCRLQTNVKAA-CQSZACIVSA-N 0 3 350.375 0.980 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001600488283 1286497405 /nfs/dbraw/zinc/49/74/05/1286497405.db2.gz PCNOCRLQTNVKAA-CQSZACIVSA-N 0 3 350.375 0.980 20 5 FCBDHN C[NH+]1CCC(O)(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001610133279 1289386518 /nfs/dbraw/zinc/38/65/18/1289386518.db2.gz JOFCXACDESDOOX-UHFFFAOYSA-N 0 3 353.375 0.605 20 5 FCBDHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cccc(F)c1 ZINC001699651018 1289559420 /nfs/dbraw/zinc/55/94/20/1289559420.db2.gz JOJGTIRCDZHUTD-CHWSQXEVSA-N 0 3 350.350 0.668 20 5 FCBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2 ZINC001164684186 719695428 /nfs/dbraw/zinc/69/54/28/719695428.db2.gz HPIPMQNTSLUDSX-UHFFFAOYSA-N 0 3 364.406 0.574 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2noc3c2COCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084546 842119099 /nfs/dbraw/zinc/11/90/99/842119099.db2.gz VKLRSXSLUFPCLG-FBKDDSFISA-N 0 3 350.375 0.397 20 5 FCBDHN CC(C)(C)n1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001086084265 842119657 /nfs/dbraw/zinc/11/96/57/842119657.db2.gz KBELJBNIGBTAAV-ZMJPVWNMSA-N 0 3 350.423 0.683 20 5 FCBDHN COCc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086363149 842127548 /nfs/dbraw/zinc/12/75/48/842127548.db2.gz DWGZOPQZXOKELI-FPQZTECRSA-N 0 3 354.432 0.939 20 5 FCBDHN CCOCCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105707098 845017954 /nfs/dbraw/zinc/01/79/54/845017954.db2.gz MTUHCAFLLQIABG-HZPDHXFCSA-N 0 3 355.435 0.770 20 5 FCBDHN CC(C)Cc1nnc(NC(=O)CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936652 848713806 /nfs/dbraw/zinc/71/38/06/848713806.db2.gz OWEDBWAQFPBRLI-NXEZZACHSA-N 0 3 370.435 0.046 20 5 FCBDHN CCOC(=O)c1nc(Cl)nc(N2CCOC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC001154961938 849824698 /nfs/dbraw/zinc/82/46/98/849824698.db2.gz PQBAQNBXXGGKBY-VIFPVBQESA-N 0 3 373.797 0.982 20 5 FCBDHN COc1nc(N2CCO[C@@H](CN3CCCC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001158309999 850036183 /nfs/dbraw/zinc/03/61/83/850036183.db2.gz VYZRFKMNRJDQRD-NSHDSACASA-N 0 3 353.379 0.703 20 5 FCBDHN O=C(CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001160090892 850152951 /nfs/dbraw/zinc/15/29/51/850152951.db2.gz SVARFLUGBOYZPR-HUUCEWRRSA-N 0 3 350.419 0.412 20 5 FCBDHN NCCN=c1ccc(Br)cn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001160975990 850217790 /nfs/dbraw/zinc/21/77/90/850217790.db2.gz POKZTLSRHJBEMV-UHFFFAOYSA-N 0 3 353.180 0.985 20 5 FCBDHN CS(=O)(=O)N(C1CNC1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001166968590 850516728 /nfs/dbraw/zinc/51/67/28/850516728.db2.gz ZGEYYLOSUAERDH-UHFFFAOYSA-N 0 3 356.738 0.926 20 5 FCBDHN CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001304084850 866494986 /nfs/dbraw/zinc/49/49/86/866494986.db2.gz QBPIZWZJTWYBHS-JTQLQIEISA-N 0 3 369.399 0.201 20 5 FCBDHN COCCN(C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)CC1=O ZINC001307145513 866645601 /nfs/dbraw/zinc/64/56/01/866645601.db2.gz APEZUWCFBJMYRE-LBPRGKRZSA-N 0 3 352.395 0.284 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001307226161 866651210 /nfs/dbraw/zinc/65/12/10/866651210.db2.gz CKXUQIPZVARDBC-QWHCGFSZSA-N 0 3 370.431 0.278 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001320000635 868054522 /nfs/dbraw/zinc/05/45/22/868054522.db2.gz GZTHCDFKOAMMDY-UHFFFAOYSA-N 0 3 353.379 0.333 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC001321795650 868615652 /nfs/dbraw/zinc/61/56/52/868615652.db2.gz RZFQNYPPXOZPDO-UHFFFAOYSA-N 0 3 350.375 0.430 20 5 FCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000411757174 529871419 /nfs/dbraw/zinc/87/14/19/529871419.db2.gz LBFKBSFYOBIZCN-AWEZNQCLSA-N 0 3 370.431 0.889 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000265372976 210110340 /nfs/dbraw/zinc/11/03/40/210110340.db2.gz OQHQVTPPIIGEBG-SWLSCSKDSA-N 0 3 364.402 0.502 20 5 FCBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265324425 210097980 /nfs/dbraw/zinc/09/79/80/210097980.db2.gz FMPSBQOMYNCDNJ-JKSUJKDBSA-N 0 3 369.443 0.225 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367045215 216068222 /nfs/dbraw/zinc/06/82/22/216068222.db2.gz JWELLTUWVCJUTD-DZGCQCFKSA-N 0 3 364.450 0.584 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000367095903 216075162 /nfs/dbraw/zinc/07/51/62/216075162.db2.gz DULOYBQIDSVERU-KRWDZBQOSA-N 0 3 359.430 0.633 20 5 FCBDHN CC(C)(N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262245524 209554487 /nfs/dbraw/zinc/55/44/87/209554487.db2.gz QZAZKYVTXRUHQZ-UHFFFAOYSA-N 0 3 356.404 0.165 20 5 FCBDHN C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1CO ZINC000190908598 209278485 /nfs/dbraw/zinc/27/84/85/209278485.db2.gz SHHZOOHLQNDKPZ-CABCVRRESA-N 0 3 362.430 0.804 20 5 FCBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258477 216372806 /nfs/dbraw/zinc/37/28/06/216372806.db2.gz WDQCJRIDPVLELM-NSHDSACASA-N 0 3 350.423 0.779 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000276801126 212291430 /nfs/dbraw/zinc/29/14/30/212291430.db2.gz CPSNHLNGSWFURT-VIFPVBQESA-N 0 3 366.374 0.695 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414975622 245338687 /nfs/dbraw/zinc/33/86/87/245338687.db2.gz MIBVEDJVNZSJPE-ZDUSSCGKSA-N 0 3 352.391 0.140 20 5 FCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373760253 217055730 /nfs/dbraw/zinc/05/57/30/217055730.db2.gz VPCYGAIKBALTAS-GOEBONIOSA-N 0 3 354.407 0.812 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183415787 209146003 /nfs/dbraw/zinc/14/60/03/209146003.db2.gz OREXGWATZYXORB-MRXNPFEDSA-N 0 3 359.386 0.674 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963691 217339225 /nfs/dbraw/zinc/33/92/25/217339225.db2.gz RWXFQWNEHZXZLP-HZPDHXFCSA-N 0 3 350.350 0.885 20 5 FCBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419342503 246106159 /nfs/dbraw/zinc/10/61/59/246106159.db2.gz AVSZAPWXVVLHHW-JTQLQIEISA-N 0 3 362.390 0.721 20 5 FCBDHN CCC(CC)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422820088 246923776 /nfs/dbraw/zinc/92/37/76/246923776.db2.gz OTMOVJNILQTKIR-UHFFFAOYSA-N 0 3 358.420 0.507 20 5 FCBDHN C[C@@H]1NCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000423606487 247071972 /nfs/dbraw/zinc/07/19/72/247071972.db2.gz KJOMSHYMJNCVAL-QWRGUYRKSA-N 0 3 356.404 0.082 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424445172 247218175 /nfs/dbraw/zinc/21/81/75/247218175.db2.gz FHFBOLOZUBBQBL-UONOGXRCSA-N 0 3 372.385 0.529 20 5 FCBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701341 250000509 /nfs/dbraw/zinc/00/05/09/250000509.db2.gz MYICHVJVPWMXGR-GXSJLCMTSA-N 0 3 370.431 0.763 20 5 FCBDHN CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000471762336 250119096 /nfs/dbraw/zinc/11/90/96/250119096.db2.gz TWEQKYCGVWBLOM-CQSZACIVSA-N 0 3 372.447 0.576 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915101 533006317 /nfs/dbraw/zinc/00/63/17/533006317.db2.gz YOVWZEQWQHRSQI-UKRRQHHQSA-N 0 3 367.402 0.371 20 5 FCBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834530 208352259 /nfs/dbraw/zinc/35/22/59/208352259.db2.gz JOALKXULRGWKOL-MRXNPFEDSA-N 0 3 361.446 0.906 20 5 FCBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266718046 210389144 /nfs/dbraw/zinc/38/91/44/210389144.db2.gz GRSHVYRDEODLEI-WCQYABFASA-N 0 3 357.411 0.997 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916349 533487425 /nfs/dbraw/zinc/48/74/25/533487425.db2.gz MJVPQIPCOUJGGO-UONOGXRCSA-N 0 3 367.402 0.371 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCN(C2CC2)CC1 ZINC000044215422 487910685 /nfs/dbraw/zinc/91/06/85/487910685.db2.gz JYWKMJFTSFCWBL-UHFFFAOYSA-N 0 3 372.381 0.934 20 5 FCBDHN CCN(C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000066373522 488328497 /nfs/dbraw/zinc/32/84/97/488328497.db2.gz DQZUAZJQHVMURT-UHFFFAOYSA-N 0 3 372.447 0.979 20 5 FCBDHN Cc1n[nH]c(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000067178459 488345649 /nfs/dbraw/zinc/34/56/49/488345649.db2.gz XILRIBOAEXKZPU-UHFFFAOYSA-N 0 3 374.401 0.848 20 5 FCBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000183698190 488393550 /nfs/dbraw/zinc/39/35/50/488393550.db2.gz PFHAGVQBUDJYDT-UHFFFAOYSA-N 0 3 371.459 0.761 20 5 FCBDHN O=C1CCCN1C[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075738242 488398812 /nfs/dbraw/zinc/39/88/12/488398812.db2.gz SSOLELOUVXQSCI-UKRRQHHQSA-N 0 3 351.407 0.629 20 5 FCBDHN O=C1CCCN1C[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075738243 488399078 /nfs/dbraw/zinc/39/90/78/488399078.db2.gz SSOLELOUVXQSCI-HIFRSBDPSA-N 0 3 351.407 0.629 20 5 FCBDHN COCCN(CCN(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268759857 488447692 /nfs/dbraw/zinc/44/76/92/488447692.db2.gz VDELGPRQJXGKBW-UHFFFAOYSA-N 0 3 352.391 0.361 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083412988 488447821 /nfs/dbraw/zinc/44/78/21/488447821.db2.gz ILACMWPFSLWQII-HOCLYGCPSA-N 0 3 354.407 0.812 20 5 FCBDHN CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000268765815 488448325 /nfs/dbraw/zinc/44/83/25/488448325.db2.gz JDDLOVXFVOEBIC-CYBMUJFWSA-N 0 3 358.420 0.330 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000109910492 488523808 /nfs/dbraw/zinc/52/38/08/488523808.db2.gz LPGCHYVHPOYURU-AWEZNQCLSA-N 0 3 353.423 0.699 20 5 FCBDHN Cn1ccnc1[C@@H]1CNCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261689313 488530947 /nfs/dbraw/zinc/53/09/47/488530947.db2.gz IDLDWDGHVADMNE-ZDUSSCGKSA-N 0 3 355.358 0.991 20 5 FCBDHN C[C@@H](NC(=O)C1(S(C)(=O)=O)CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000262273051 488560523 /nfs/dbraw/zinc/56/05/23/488560523.db2.gz WBJNOQRDYXEXQE-LLVKDONJSA-N 0 3 355.416 0.939 20 5 FCBDHN CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(N)CC3)CC2)c([N+](=O)[O-])c1 ZINC000262339613 488564709 /nfs/dbraw/zinc/56/47/09/488564709.db2.gz YARNVYAWLCJDLL-UHFFFAOYSA-N 0 3 368.415 0.138 20 5 FCBDHN O=C(C[C@@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262623951 488582501 /nfs/dbraw/zinc/58/25/01/488582501.db2.gz IBEJZEZWQKYZNH-NSHDSACASA-N 0 3 356.404 0.131 20 5 FCBDHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262761256 488591138 /nfs/dbraw/zinc/59/11/38/488591138.db2.gz FYFOAHNWPZWHDV-UWVGGRQHSA-N 0 3 357.388 0.785 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000570037079 491211820 /nfs/dbraw/zinc/21/18/20/491211820.db2.gz MFZORBHCHHDUIZ-MRXNPFEDSA-N 0 3 357.374 0.582 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272939535 488619025 /nfs/dbraw/zinc/61/90/25/488619025.db2.gz INMLUNDVDCRSPX-CQSZACIVSA-N 0 3 358.782 0.616 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000130324161 488636948 /nfs/dbraw/zinc/63/69/48/488636948.db2.gz RLHKGUCMPSAWCW-HNNXBMFYSA-N 0 3 360.414 0.890 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131747943 488648156 /nfs/dbraw/zinc/64/81/56/488648156.db2.gz DEJFSBRHSSORST-DZGCQCFKSA-N 0 3 354.407 0.670 20 5 FCBDHN CCN1CCN(CCCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000133621187 488661161 /nfs/dbraw/zinc/66/11/61/488661161.db2.gz OJEDXIUWPBQXLV-UHFFFAOYSA-N 0 3 367.454 0.508 20 5 FCBDHN CN(C)CCN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267105371 488761747 /nfs/dbraw/zinc/76/17/47/488761747.db2.gz XNIGJHKPCASOJX-UHFFFAOYSA-N 0 3 373.435 0.076 20 5 FCBDHN C[NH+](C)C1CCN(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000267175816 488767713 /nfs/dbraw/zinc/76/77/13/488767713.db2.gz JHTNDPKAFCSXCS-UHFFFAOYSA-N 0 3 356.448 0.899 20 5 FCBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCOCC1 ZINC000180055469 488861849 /nfs/dbraw/zinc/86/18/49/488861849.db2.gz BLIBUIDLFRQXNF-HNNXBMFYSA-N 0 3 352.391 0.230 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000288357747 488973814 /nfs/dbraw/zinc/97/38/14/488973814.db2.gz ZLALCUSAMFABLR-VIFPVBQESA-N 0 3 366.374 0.695 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000290660765 489156312 /nfs/dbraw/zinc/15/63/12/489156312.db2.gz CIHAGBINSJFDJO-INIZCTEOSA-N 0 3 352.391 0.525 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000370357349 489349370 /nfs/dbraw/zinc/34/93/70/489349370.db2.gz KPRZKBRGEZLKIU-HLLBOEOZSA-N 0 3 365.430 0.866 20 5 FCBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CN2CCN1CCC2 ZINC000362079218 489374686 /nfs/dbraw/zinc/37/46/86/489374686.db2.gz OZUVXVLWIWHIBE-HNNXBMFYSA-N 0 3 356.386 1.313 20 5 FCBDHN N[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000423094337 489492884 /nfs/dbraw/zinc/49/28/84/489492884.db2.gz JXWMYORLJDBHIU-CYBMUJFWSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371973263 489531114 /nfs/dbraw/zinc/53/11/14/489531114.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371973263 489531116 /nfs/dbraw/zinc/53/11/16/489531116.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371973263 489531117 /nfs/dbraw/zinc/53/11/17/489531117.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 0 3 363.418 0.936 20 5 FCBDHN O=C(CNC(=O)Nc1ccncc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000455035106 489584800 /nfs/dbraw/zinc/58/48/00/489584800.db2.gz HDRPBXGIROHAHP-UHFFFAOYSA-N 0 3 364.406 0.525 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1F ZINC000570836743 491268362 /nfs/dbraw/zinc/26/83/62/491268362.db2.gz KWTUCFKMAQMJFN-OCCSQVGLSA-N 0 3 363.349 0.686 20 5 FCBDHN Cn1cc(C[C@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000563887875 491274933 /nfs/dbraw/zinc/27/49/33/491274933.db2.gz KFJMDHKSONTUPS-UKRRQHHQSA-N 0 3 350.375 0.261 20 5 FCBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCNCC1 ZINC000418821958 489738937 /nfs/dbraw/zinc/73/89/37/489738937.db2.gz XVYSXKNQVRWNBN-UHFFFAOYSA-N 0 3 354.794 0.729 20 5 FCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000490632855 489778567 /nfs/dbraw/zinc/77/85/67/489778567.db2.gz YZXDUVTXBHBTMY-NVXWUHKLSA-N 0 3 363.462 0.714 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000476355974 489882040 /nfs/dbraw/zinc/88/20/40/489882040.db2.gz RMFPIUVHXIPCCO-UHFFFAOYSA-N 0 3 373.417 0.665 20 5 FCBDHN COc1cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000420444692 489977363 /nfs/dbraw/zinc/97/73/63/489977363.db2.gz MLTAWVXEKKRVCK-LLVKDONJSA-N 0 3 351.331 0.879 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000477900767 489996652 /nfs/dbraw/zinc/99/66/52/489996652.db2.gz DIZCFZMZAUGHEX-UHFFFAOYSA-N 0 3 353.379 0.631 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000463630196 490022857 /nfs/dbraw/zinc/02/28/57/490022857.db2.gz RSGQCVPFEBMYJQ-INIZCTEOSA-N 0 3 350.375 0.333 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000463630197 490022979 /nfs/dbraw/zinc/02/29/79/490022979.db2.gz RSGQCVPFEBMYJQ-MRXNPFEDSA-N 0 3 350.375 0.333 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000571231667 491294737 /nfs/dbraw/zinc/29/47/37/491294737.db2.gz YUBIJFIQSAGGPN-KRWDZBQOSA-N 0 3 363.370 0.553 20 5 FCBDHN COc1ccc(OCCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227166 491295347 /nfs/dbraw/zinc/29/53/47/491295347.db2.gz KOFCUDYUKUCGKP-DGCLKSJQSA-N 0 3 350.375 0.226 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000465130603 490085475 /nfs/dbraw/zinc/08/54/75/490085475.db2.gz WIPOVKMYAGSVJG-CYBMUJFWSA-N 0 3 365.386 0.745 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000444650700 490101564 /nfs/dbraw/zinc/10/15/64/490101564.db2.gz DTFJRZNACSCASU-CYBMUJFWSA-N 0 3 366.418 0.930 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000386811892 490131519 /nfs/dbraw/zinc/13/15/19/490131519.db2.gz PVNCYSAAOPJRFD-SNVBAGLBSA-N 0 3 364.196 0.458 20 5 FCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000545466145 490140012 /nfs/dbraw/zinc/14/00/12/490140012.db2.gz ZDQHMCCMQIVUBA-GFCCVEGCSA-N 0 3 370.431 0.461 20 5 FCBDHN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000497459804 490164269 /nfs/dbraw/zinc/16/42/69/490164269.db2.gz VLBFESCJNIMVRX-GOEBONIOSA-N 0 3 364.450 0.666 20 5 FCBDHN CC(C)NC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000520611922 490171486 /nfs/dbraw/zinc/17/14/86/490171486.db2.gz VLANJUWPPAFMTF-OLZOCXBDSA-N 0 3 361.402 0.481 20 5 FCBDHN CN1CCN(c2ccncc2NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546088137 490184950 /nfs/dbraw/zinc/18/49/50/490184950.db2.gz YMWVQZPZYCTXKS-UHFFFAOYSA-N 0 3 357.374 0.971 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000564490671 491310399 /nfs/dbraw/zinc/31/03/99/491310399.db2.gz JADCOYWGEQJTAU-RISCZKNCSA-N 0 3 351.359 0.568 20 5 FCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000422343398 490270412 /nfs/dbraw/zinc/27/04/12/490270412.db2.gz SRFDVJYTMLHTBJ-LBPRGKRZSA-N 0 3 374.401 0.640 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449655737 490418065 /nfs/dbraw/zinc/41/80/65/490418065.db2.gz HSADIRMIHIYYTH-BXKDBHETSA-N 0 3 356.329 0.827 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000571754891 491326965 /nfs/dbraw/zinc/32/69/65/491326965.db2.gz QGLUCUDSFBZDCU-XEZPLFJOSA-N 0 3 367.402 0.560 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC1CC[NH2+]CC1)OCCO2 ZINC000564798606 491327063 /nfs/dbraw/zinc/32/70/63/491327063.db2.gz YVRXADODSSMGPS-UHFFFAOYSA-N 0 3 357.388 0.644 20 5 FCBDHN C[C@](C[NH3+])(NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422832020 490483019 /nfs/dbraw/zinc/48/30/19/490483019.db2.gz UIEYDPCFLKQANP-CQSZACIVSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(CC(C)(C)C[NH3+])C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422887595 490491279 /nfs/dbraw/zinc/49/12/79/490491279.db2.gz BKJKAEOBGGFCRZ-UHFFFAOYSA-N 0 3 358.420 0.316 20 5 FCBDHN C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000525184556 490582363 /nfs/dbraw/zinc/58/23/63/490582363.db2.gz VVPPZARMVWXGCZ-GFCCVEGCSA-N 0 3 357.436 0.152 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000525616195 490614557 /nfs/dbraw/zinc/61/45/57/490614557.db2.gz LCHFKSYDJZHKOJ-QWRGUYRKSA-N 0 3 360.370 0.790 20 5 FCBDHN C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391980 490617864 /nfs/dbraw/zinc/61/78/64/490617864.db2.gz DDYXYGBBXHUNIT-NWDGAFQWSA-N 0 3 370.431 0.187 20 5 FCBDHN C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391980 490617868 /nfs/dbraw/zinc/61/78/68/490617868.db2.gz DDYXYGBBXHUNIT-NWDGAFQWSA-N 0 3 370.431 0.187 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000501739136 490638952 /nfs/dbraw/zinc/63/89/52/490638952.db2.gz KFKDTIYQQLFMLN-LSDHHAIUSA-N 0 3 373.413 0.941 20 5 FCBDHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000525930025 490654741 /nfs/dbraw/zinc/65/47/41/490654741.db2.gz DKKSNIQFWRVFET-UHFFFAOYSA-N 0 3 369.397 0.624 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCNc1ccncc1 ZINC000512060850 490655089 /nfs/dbraw/zinc/65/50/89/490655089.db2.gz WLMCOAWBQKVJCI-UHFFFAOYSA-N 0 3 371.353 0.365 20 5 FCBDHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000502144083 490681762 /nfs/dbraw/zinc/68/17/62/490681762.db2.gz RKECQLNHZGVCQP-STQMWFEESA-N 0 3 360.461 0.724 20 5 FCBDHN CN(CCN1CCCC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000487474839 490714960 /nfs/dbraw/zinc/71/49/60/490714960.db2.gz HXOYGAGMPGOGGK-UHFFFAOYSA-N 0 3 362.386 0.874 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000527329685 490717714 /nfs/dbraw/zinc/71/77/14/490717714.db2.gz ZHNKOTDUMCZGHU-NSHDSACASA-N 0 3 350.375 1.000 20 5 FCBDHN CNC(=O)[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502866886 490726194 /nfs/dbraw/zinc/72/61/94/490726194.db2.gz UBWLZWNEIXNRTK-UONOGXRCSA-N 0 3 355.416 0.873 20 5 FCBDHN C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000503185962 490743327 /nfs/dbraw/zinc/74/33/27/490743327.db2.gz VOLYBKQXKBTDMX-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN C[C@@H]1CN(C[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000488745213 490774040 /nfs/dbraw/zinc/77/40/40/490774040.db2.gz KUXDAIOXWUFODD-LZWOXQAQSA-N 0 3 367.450 0.898 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C(=O)NCCN(C)C)c1F ZINC000514873381 490794795 /nfs/dbraw/zinc/79/47/95/490794795.db2.gz YUZPTCRHOTXYMN-SNVBAGLBSA-N 0 3 370.381 0.468 20 5 FCBDHN CNc1nccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000565184823 491358038 /nfs/dbraw/zinc/35/80/38/491358038.db2.gz CZUKVTAPSIKBNA-LBPRGKRZSA-N 0 3 351.407 0.854 20 5 FCBDHN CN(C)CCOc1cc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])ccn1 ZINC000565188348 491358391 /nfs/dbraw/zinc/35/83/91/491358391.db2.gz AXPIKKKHWDPDEC-UHFFFAOYSA-N 0 3 360.374 0.837 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000516572304 490868886 /nfs/dbraw/zinc/86/88/86/490868886.db2.gz LMDQBRNIXZIIAU-VXGBXAGGSA-N 0 3 368.415 0.084 20 5 FCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000557258120 491362754 /nfs/dbraw/zinc/36/27/54/491362754.db2.gz DBHLJQFDOHMICD-TZMCWYRMSA-N 0 3 363.418 0.182 20 5 FCBDHN CN1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516809669 490879458 /nfs/dbraw/zinc/87/94/58/490879458.db2.gz AKKFANOXYAXOJZ-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000517577519 490912924 /nfs/dbraw/zinc/91/29/24/490912924.db2.gz ZHDMLCUUUOBXRS-UHFFFAOYSA-N 0 3 351.407 0.606 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000518585718 490946086 /nfs/dbraw/zinc/94/60/86/490946086.db2.gz KRTRVMVZPJMRHM-AWEZNQCLSA-N 0 3 361.402 0.437 20 5 FCBDHN COc1ccc(CSCC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000519654345 490982502 /nfs/dbraw/zinc/98/25/02/490982502.db2.gz ROHRXVPTMHSQLM-CYBMUJFWSA-N 0 3 368.459 0.938 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000532093616 490986503 /nfs/dbraw/zinc/98/65/03/490986503.db2.gz QOQXMSWXPVIFRB-AWEZNQCLSA-N 0 3 364.450 0.877 20 5 FCBDHN CCc1n[nH]c(=O)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1CC ZINC000572475585 491372694 /nfs/dbraw/zinc/37/26/94/491372694.db2.gz KNTRZHTXJQGXCE-NSHDSACASA-N 0 3 350.379 0.562 20 5 FCBDHN CN1CC[C@@]2(CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000558034411 491410298 /nfs/dbraw/zinc/41/02/98/491410298.db2.gz XWPHQDGGDIINPD-GOSISDBHSA-N 0 3 374.397 0.874 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000573133404 491414974 /nfs/dbraw/zinc/41/49/74/491414974.db2.gz UDRNTFDDRHAOTR-FZMZJTMJSA-N 0 3 353.375 0.607 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000566104515 491417902 /nfs/dbraw/zinc/41/79/02/491417902.db2.gz MZJKHSNJKYFRSX-LBPRGKRZSA-N 0 3 350.375 0.150 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558752974 491445141 /nfs/dbraw/zinc/44/51/41/491445141.db2.gz BQOQBRZUSUVQRN-ZFWWWQNUSA-N 0 3 359.386 0.931 20 5 FCBDHN CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCCN(C)C1 ZINC000567409484 491504769 /nfs/dbraw/zinc/50/47/69/491504769.db2.gz DQQCEUJGPBHPNK-LBPRGKRZSA-N 0 3 360.370 0.743 20 5 FCBDHN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000560561772 491545006 /nfs/dbraw/zinc/54/50/06/491545006.db2.gz GMILWEXUJLGWSV-LLVKDONJSA-N 0 3 363.418 0.965 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414508 491575721 /nfs/dbraw/zinc/57/57/21/491575721.db2.gz MWOAWMJLKFHHOF-QWHCGFSZSA-N 0 3 370.369 0.165 20 5 FCBDHN CO[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000568985182 491624201 /nfs/dbraw/zinc/62/42/01/491624201.db2.gz JVSOQOWZZYQKSF-KBPBESRZSA-N 0 3 357.432 0.807 20 5 FCBDHN CC(C)[C@H]([NH3+])CCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000569245783 491645651 /nfs/dbraw/zinc/64/56/51/491645651.db2.gz OLAZSMBZSREYLQ-GFCCVEGCSA-N 0 3 372.447 0.705 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000588224629 491742313 /nfs/dbraw/zinc/74/23/13/491742313.db2.gz ZIWSTGVBKLHLTR-WDEREUQCSA-N 0 3 374.401 0.686 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(F)cc3c2OCOC3)c1 ZINC000580710075 491742436 /nfs/dbraw/zinc/74/24/36/491742436.db2.gz SQWMGYPUZAUXSY-AWEZNQCLSA-N 0 3 352.322 0.948 20 5 FCBDHN O=C(NC1CC1)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580947345 491752733 /nfs/dbraw/zinc/75/27/33/491752733.db2.gz RIBYDGPAKYLOAU-MRXNPFEDSA-N 0 3 359.386 0.834 20 5 FCBDHN CNC(=O)COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580990491 491754431 /nfs/dbraw/zinc/75/44/31/491754431.db2.gz OURNZESJVNHVCM-AWEZNQCLSA-N 0 3 363.374 0.067 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590590282 491780247 /nfs/dbraw/zinc/78/02/47/491780247.db2.gz BXPJMBUAETXIMT-UHFFFAOYSA-N 0 3 374.438 0.958 20 5 FCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582551026 491817407 /nfs/dbraw/zinc/81/74/07/491817407.db2.gz JPNTXXCJCSISMW-WCQYABFASA-N 0 3 370.431 0.935 20 5 FCBDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591728534 491822951 /nfs/dbraw/zinc/82/29/51/491822951.db2.gz SMWUUPJHKDQHAZ-QWHCGFSZSA-N 0 3 373.431 0.348 20 5 FCBDHN C[S@](=O)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767539 491823325 /nfs/dbraw/zinc/82/33/25/491823325.db2.gz PWGAWVYPOVWNLG-OWJWWREXSA-N 0 3 352.416 0.821 20 5 FCBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000595266555 491909196 /nfs/dbraw/zinc/90/91/96/491909196.db2.gz UVNCAUMHARYOJK-UHFFFAOYSA-N 0 3 362.346 0.427 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000595568953 491943049 /nfs/dbraw/zinc/94/30/49/491943049.db2.gz YTUVJKAMGRGWJH-CYBMUJFWSA-N 0 3 352.395 0.344 20 5 FCBDHN C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000604437218 492061088 /nfs/dbraw/zinc/06/10/88/492061088.db2.gz MJZVLAYHDODURH-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000604573462 492063912 /nfs/dbraw/zinc/06/39/12/492063912.db2.gz MENSUALZQRFZGY-HNNXBMFYSA-N 0 3 364.402 0.470 20 5 FCBDHN COC(=O)COc1ccc(CN[C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000616091113 492117008 /nfs/dbraw/zinc/11/70/08/492117008.db2.gz MKFUCPWAOSQNOK-MLGOLLRUSA-N 0 3 367.402 0.955 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000598913515 492123717 /nfs/dbraw/zinc/12/37/17/492123717.db2.gz KCIYXGYCEALFLY-CQSZACIVSA-N 0 3 373.373 0.447 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599017784 492130915 /nfs/dbraw/zinc/13/09/15/492130915.db2.gz BVEAOTYQXUMACE-ZDUSSCGKSA-N 0 3 353.375 0.303 20 5 FCBDHN C[NH+](C)CCCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609745456 492221239 /nfs/dbraw/zinc/22/12/39/492221239.db2.gz OWXRXSFOSGEQHQ-UHFFFAOYSA-N 0 3 373.435 0.124 20 5 FCBDHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420491 492245175 /nfs/dbraw/zinc/24/51/75/492245175.db2.gz WPSJUONIGJBCNV-ZDUSSCGKSA-N 0 3 356.448 0.823 20 5 FCBDHN COC1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610573819 492252851 /nfs/dbraw/zinc/25/28/51/492252851.db2.gz SKJZWRHBTNJAKT-UHFFFAOYSA-N 0 3 364.402 0.552 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244186 492282794 /nfs/dbraw/zinc/28/27/94/492282794.db2.gz HCLQOAXYIXOVMX-OAHLLOKOSA-N 0 3 363.418 0.171 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545862657 546887264 /nfs/dbraw/zinc/88/72/64/546887264.db2.gz QGWQFBRXZWDBLZ-XHDPSFHLSA-N 0 3 354.411 0.010 20 5 FCBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592195423 546945507 /nfs/dbraw/zinc/94/55/07/546945507.db2.gz KEWYHUIXXAUBBA-BXUZGUMPSA-N 0 3 351.359 0.779 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592491469 546951355 /nfs/dbraw/zinc/95/13/55/546951355.db2.gz KMQWFSQSTYYGCT-CQSZACIVSA-N 0 3 350.375 0.395 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000592543872 546953317 /nfs/dbraw/zinc/95/33/17/546953317.db2.gz SLKWBWXRYOSHLB-NSHDSACASA-N 0 3 356.404 0.131 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000593909711 546994427 /nfs/dbraw/zinc/99/44/27/546994427.db2.gz LOBFUJBJBLMBJY-LBPRGKRZSA-N 0 3 370.431 0.379 20 5 FCBDHN CN(C(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC000981764607 664838781 /nfs/dbraw/zinc/83/87/81/664838781.db2.gz VHGOKLGLTIHDPS-ZIAGYGMSSA-N 0 3 350.419 0.197 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000728905825 665191664 /nfs/dbraw/zinc/19/16/64/665191664.db2.gz XLWNVSLHBFEDRY-UHFFFAOYSA-N 0 3 352.439 0.852 20 5 FCBDHN CN(C)c1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997767563 667175232 /nfs/dbraw/zinc/17/52/32/667175232.db2.gz HNOLXHOOKSZYST-VXGBXAGGSA-N 0 3 352.395 0.129 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000769266663 668124619 /nfs/dbraw/zinc/12/46/19/668124619.db2.gz FZIMDYGVLBIYOZ-UHFFFAOYSA-N 0 3 358.782 0.617 20 5 FCBDHN O=C1NC2(CO1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000784464691 668658933 /nfs/dbraw/zinc/65/89/33/668658933.db2.gz MODDCJYHNNYSQS-CYBMUJFWSA-N 0 3 351.359 0.909 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785801217 668732376 /nfs/dbraw/zinc/73/23/76/668732376.db2.gz QGABHLFIWLEDCC-NWDGAFQWSA-N 0 3 356.404 0.517 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785801219 668732387 /nfs/dbraw/zinc/73/23/87/668732387.db2.gz QGABHLFIWLEDCC-VXGBXAGGSA-N 0 3 356.404 0.517 20 5 FCBDHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105537 669827652 /nfs/dbraw/zinc/82/76/52/669827652.db2.gz OFFWZRORDYVPEB-LLVKDONJSA-N 0 3 360.388 0.742 20 5 FCBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[N+](=O)[O-] ZINC000813111400 669828238 /nfs/dbraw/zinc/82/82/38/669828238.db2.gz TVMLADRGTPSVJJ-NSHDSACASA-N 0 3 357.388 0.691 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000853241187 671544438 /nfs/dbraw/zinc/54/44/38/671544438.db2.gz JEHOQYULHIIIDS-NEPJUHHUSA-N 0 3 356.404 0.517 20 5 FCBDHN O=C(NCC1=CCN(CCn2cc(Cl)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673111 676058888 /nfs/dbraw/zinc/05/88/88/676058888.db2.gz DXTFDRYNCQADJY-ZIAGYGMSSA-N 0 3 353.810 0.950 20 5 FCBDHN O=C(c1cncc2nc[nH]c21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969165893 1167781681 /nfs/dbraw/zinc/78/16/81/1167781681.db2.gz FKEALCCKBMLMBI-FBKDDSFISA-N 0 3 370.369 0.439 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063704 1170549809 /nfs/dbraw/zinc/54/98/09/1170549809.db2.gz IFUHZSJMJPHEQU-AYRXBEOTSA-N 0 3 356.386 0.669 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000725894494 1183040653 /nfs/dbraw/zinc/04/06/53/1183040653.db2.gz BQUITOQOAKWMPG-CABCVRRESA-N 0 3 359.386 0.924 20 5 FCBDHN CC(C)COCCNCc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235887 1183149907 /nfs/dbraw/zinc/14/99/07/1183149907.db2.gz YNFRAKKNPZXZJQ-HUUCEWRRSA-N 0 3 366.422 0.089 20 5 FCBDHN Cc1cnc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000594020988 1196846849 /nfs/dbraw/zinc/84/68/49/1196846849.db2.gz NAJPADFPPJVBGO-AWEZNQCLSA-N 0 3 362.390 0.794 20 5 FCBDHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813102533 1202990602 /nfs/dbraw/zinc/99/06/02/1202990602.db2.gz RLKZVCKTDKWBMB-QFYYESIMSA-N 0 3 365.342 0.671 20 5 FCBDHN COC(=O)Cc1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858610618 1209797320 /nfs/dbraw/zinc/79/73/20/1209797320.db2.gz FRALQQJWULFCRC-UHFFFAOYSA-N 0 3 362.430 0.994 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(CCOC1CCC1)CCO2 ZINC000949365728 1212363501 /nfs/dbraw/zinc/36/35/01/1212363501.db2.gz CMIRILRXVBHTAT-HZPDHXFCSA-N 0 3 367.446 0.914 20 5 FCBDHN CCOc1nc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000953926926 1213023760 /nfs/dbraw/zinc/02/37/60/1213023760.db2.gz IQMNXAMJQHLVCB-DGCLKSJQSA-N 0 3 366.374 0.802 20 5 FCBDHN Cc1cncn1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001014000240 1213916716 /nfs/dbraw/zinc/91/67/16/1213916716.db2.gz KJNCIGXDOCNQPX-FZOOGMQUSA-N 0 3 361.402 0.400 20 5 FCBDHN Cc1cc(CC(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000963955811 1214878035 /nfs/dbraw/zinc/87/80/35/1214878035.db2.gz UXROMAZLBLSPGU-QHSBEEBCSA-N 0 3 363.418 0.717 20 5 FCBDHN Cc1cc(CC(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC000963955811 1214878036 /nfs/dbraw/zinc/87/80/36/1214878036.db2.gz UXROMAZLBLSPGU-QHSBEEBCSA-N 0 3 363.418 0.717 20 5 FCBDHN COc1coc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001001398438 1216188885 /nfs/dbraw/zinc/18/88/85/1216188885.db2.gz DYJKZEFUHZAECL-ZIAGYGMSSA-N 0 3 365.386 0.642 20 5 FCBDHN CNc1nccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000827439528 1216600400 /nfs/dbraw/zinc/60/04/00/1216600400.db2.gz DVXLBHNMTVCZRZ-UHFFFAOYSA-N 0 3 362.434 0.884 20 5 FCBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)Cn2cncc2C)CC1 ZINC001069479322 1216792598 /nfs/dbraw/zinc/79/25/98/1216792598.db2.gz LTMMWOLBWNIXSP-ZIAGYGMSSA-N 0 3 363.418 0.744 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccncc1 ZINC001055496344 1219059658 /nfs/dbraw/zinc/05/96/58/1219059658.db2.gz HEXLGHBEROHYPE-HUUCEWRRSA-N 0 3 361.402 0.057 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)C2(F)CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055596080 1219094971 /nfs/dbraw/zinc/09/49/71/1219094971.db2.gz QRQFTNCICWPWFO-ZIAGYGMSSA-N 0 3 370.425 0.631 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000725894498 1219619548 /nfs/dbraw/zinc/61/95/48/1219619548.db2.gz BQUITOQOAKWMPG-LSDHHAIUSA-N 0 3 359.386 0.924 20 5 FCBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCCCC1 ZINC001072725459 1219620836 /nfs/dbraw/zinc/62/08/36/1219620836.db2.gz MZEXPNQJXYXAPX-HUUCEWRRSA-N 0 3 364.446 0.589 20 5 FCBDHN COc1cc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001098366102 1219766786 /nfs/dbraw/zinc/76/67/86/1219766786.db2.gz WJIWBSMERVXQAC-ZIAGYGMSSA-N 0 3 368.390 0.134 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151248 1221482082 /nfs/dbraw/zinc/48/20/82/1221482082.db2.gz LCQSOINVANXEIO-CVEARBPZSA-N 0 3 374.397 0.416 20 5 FCBDHN O=[N+]([O-])c1cc(-c2noc(C[C@@H]3CNCCO3)n2)ccc1-n1cncn1 ZINC000843236733 1245327514 /nfs/dbraw/zinc/32/75/14/1245327514.db2.gz GXOCTZQETZLXOE-LLVKDONJSA-N 0 3 357.330 0.756 20 5 FCBDHN O=[N+]([O-])c1cc(-c2noc(C[C@H]3CNCCO3)n2)ccc1-n1cncn1 ZINC000843236736 1245327552 /nfs/dbraw/zinc/32/75/52/1245327552.db2.gz GXOCTZQETZLXOE-NSHDSACASA-N 0 3 357.330 0.756 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001328357916 1265537762 /nfs/dbraw/zinc/53/77/62/1265537762.db2.gz ILJCZEOYCQBWEE-CYBMUJFWSA-N 0 3 364.402 0.690 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001329490334 1265767779 /nfs/dbraw/zinc/76/77/79/1265767779.db2.gz HBGWMMWOHJXJPT-CYBMUJFWSA-N 0 3 361.358 0.982 20 5 FCBDHN Cc1cc(CC(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC001060729790 1254132055 /nfs/dbraw/zinc/13/20/55/1254132055.db2.gz LXFCSMIOYAMAGS-QHSBEEBCSA-N 0 3 363.418 0.717 20 5 FCBDHN Cc1cc(CC(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC001060729790 1254132065 /nfs/dbraw/zinc/13/20/65/1254132065.db2.gz LXFCSMIOYAMAGS-QHSBEEBCSA-N 0 3 363.418 0.717 20 5 FCBDHN O=C(CCc1c[nH]cn1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730241 1254134289 /nfs/dbraw/zinc/13/42/89/1254134289.db2.gz FGVHHDXBCDJHTD-QHSBEEBCSA-N 0 3 363.418 0.799 20 5 FCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546414 1263198651 /nfs/dbraw/zinc/19/86/51/1263198651.db2.gz VNPCNZVGWOTKOC-UKRRQHHQSA-N 0 3 366.418 0.769 20 5 FCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001323357769 1264409397 /nfs/dbraw/zinc/40/93/97/1264409397.db2.gz YPZJJWYRKYUFEB-HNNXBMFYSA-N 0 3 360.414 0.950 20 5 FCBDHN NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001581903060 1280692805 /nfs/dbraw/zinc/69/28/05/1280692805.db2.gz MZLCWCXIESOGRB-LRDDRELGSA-N 0 3 357.374 0.862 20 5 FCBDHN NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001581903060 1280692815 /nfs/dbraw/zinc/69/28/15/1280692815.db2.gz MZLCWCXIESOGRB-LRDDRELGSA-N 0 3 357.374 0.862 20 5 FCBDHN NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001581903060 1280692830 /nfs/dbraw/zinc/69/28/30/1280692830.db2.gz MZLCWCXIESOGRB-LRDDRELGSA-N 0 3 357.374 0.862 20 5 FCBDHN NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001581903060 1280692839 /nfs/dbraw/zinc/69/28/39/1280692839.db2.gz MZLCWCXIESOGRB-LRDDRELGSA-N 0 3 357.374 0.862 20 5 FCBDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590163391 1283257865 /nfs/dbraw/zinc/25/78/65/1283257865.db2.gz IPMHEEKMSQHGEZ-SNVBAGLBSA-N 0 3 360.378 0.331 20 5 FCBDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590163391 1283257870 /nfs/dbraw/zinc/25/78/70/1283257870.db2.gz IPMHEEKMSQHGEZ-SNVBAGLBSA-N 0 3 360.378 0.331 20 5 FCBDHN O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001607086051 1288654233 /nfs/dbraw/zinc/65/42/33/1288654233.db2.gz RLROMORPKLGVEI-UHFFFAOYSA-N 0 3 370.377 0.772 20 5 FCBDHN O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001607086051 1288654235 /nfs/dbraw/zinc/65/42/35/1288654235.db2.gz RLROMORPKLGVEI-UHFFFAOYSA-N 0 3 370.377 0.772 20 5 FCBDHN CCCn1c(C)nnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082879 842118400 /nfs/dbraw/zinc/11/84/00/842118400.db2.gz GRPAJNIEZURGFY-XJFOESAGSA-N 0 3 350.423 0.646 20 5 FCBDHN COC(=O)c1nc(Cl)nc(N2CCOC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC001154967344 849824362 /nfs/dbraw/zinc/82/43/62/849824362.db2.gz IDNHAEGPCWGUFE-QMMMGPOBSA-N 0 3 359.770 0.592 20 5 FCBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCN(C)CCO ZINC001155250928 849842259 /nfs/dbraw/zinc/84/22/59/849842259.db2.gz GCQFHGYBPBJGOI-UHFFFAOYSA-N 0 3 358.782 0.861 20 5 FCBDHN CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156239660 849897707 /nfs/dbraw/zinc/89/77/07/849897707.db2.gz YPEOTZZDFDQRPX-UHFFFAOYSA-N 0 3 363.705 0.782 20 5 FCBDHN COc1nc(N2CCO[C@H](CN3CCCC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001158309998 850035759 /nfs/dbraw/zinc/03/57/59/850035759.db2.gz VYZRFKMNRJDQRD-LLVKDONJSA-N 0 3 353.379 0.703 20 5 FCBDHN CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165270030 850431929 /nfs/dbraw/zinc/43/19/29/850431929.db2.gz UULKAVHKHIEVGA-IUCAKERBSA-N 0 3 371.781 0.782 20 5 FCBDHN CS(=O)(=O)N(C1CNC1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001166966328 850516193 /nfs/dbraw/zinc/51/61/93/850516193.db2.gz DFJKNNXBVZRLQP-UHFFFAOYSA-N 0 3 356.738 0.926 20 5 FCBDHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169020164 850602642 /nfs/dbraw/zinc/60/26/42/850602642.db2.gz KBVPHRRVMCQBRZ-LVNYTYFRSA-N 0 3 355.435 0.768 20 5 FCBDHN COCCN1CCO[C@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025718 850603519 /nfs/dbraw/zinc/60/35/19/850603519.db2.gz UHOOYGQUCUQQOR-JJXSEGSLSA-N 0 3 355.435 0.628 20 5 FCBDHN CS(=O)(=O)N1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001169343715 850616526 /nfs/dbraw/zinc/61/65/26/850616526.db2.gz ISHFQIHDSVVZIS-UHFFFAOYSA-N 0 3 369.447 0.187 20 5 FCBDHN COc1ccc(C[C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170327418 850651156 /nfs/dbraw/zinc/65/11/56/850651156.db2.gz QUDBVRGJZHNTHE-DCAQKATOSA-N 0 3 352.391 0.503 20 5 FCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273796 866405792 /nfs/dbraw/zinc/40/57/92/866405792.db2.gz OFEPAFYCEHJCQD-RYUDHWBXSA-N 0 3 368.415 0.551 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001328489484 871459606 /nfs/dbraw/zinc/45/96/06/871459606.db2.gz QDBRKUVHSGBLGH-CQSZACIVSA-N 0 3 351.407 0.859 20 5 FCBDHN COCCn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001345786510 871492524 /nfs/dbraw/zinc/49/25/24/871492524.db2.gz VWPMMWNBUKWPAB-UHFFFAOYSA-N 0 3 354.455 0.912 20 5 FCBDHN C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+](C)C ZINC000292460848 214102311 /nfs/dbraw/zinc/10/23/11/214102311.db2.gz AHWIKPXAAMHQHC-JTQLQIEISA-N 0 3 359.404 0.842 20 5 FCBDHN Cc1c(NC(=O)C(=O)NCCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000265849998 210234718 /nfs/dbraw/zinc/23/47/18/210234718.db2.gz RMLXLBSROQWTCT-UHFFFAOYSA-N 0 3 364.402 0.805 20 5 FCBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000265324405 210096891 /nfs/dbraw/zinc/09/68/91/210096891.db2.gz FMPSBQOMYNCDNJ-HOTGVXAUSA-N 0 3 369.443 0.225 20 5 FCBDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000265053542 210045431 /nfs/dbraw/zinc/04/54/31/210045431.db2.gz CUBOZOUYIUEKAM-UHFFFAOYSA-N 0 3 350.375 0.760 20 5 FCBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000265020334 210038145 /nfs/dbraw/zinc/03/81/45/210038145.db2.gz CNCBZIVMPDTNOL-UHFFFAOYSA-N 0 3 373.431 0.993 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332163503 215103889 /nfs/dbraw/zinc/10/38/89/215103889.db2.gz QJPPNLDGNPQIFC-NEPJUHHUSA-N 0 3 362.386 0.919 20 5 FCBDHN CCNC(=O)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744764 213387576 /nfs/dbraw/zinc/38/75/76/213387576.db2.gz WDRHQRHOCCKHKP-TZMCWYRMSA-N 0 3 355.395 0.753 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000367205245 216090127 /nfs/dbraw/zinc/09/01/27/216090127.db2.gz HPVNXKPIRHVTAO-NWDGAFQWSA-N 0 3 352.313 0.932 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000193100737 209308129 /nfs/dbraw/zinc/30/81/29/209308129.db2.gz VOZBDHCYGLUWDU-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN O=Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150136 216355225 /nfs/dbraw/zinc/35/52/25/216355225.db2.gz HMPCGBJSZYQRTK-KBPBESRZSA-N 0 3 363.370 0.766 20 5 FCBDHN C[C@@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189563239 209256131 /nfs/dbraw/zinc/25/61/31/209256131.db2.gz ZTBWNGUGMZJKBS-FMKPAKJESA-N 0 3 353.419 0.721 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C ZINC000276289591 212205315 /nfs/dbraw/zinc/20/53/15/212205315.db2.gz ZNZIOUSLRRCWER-JTQLQIEISA-N 0 3 359.404 1.000 20 5 FCBDHN COC(=O)Cn1cc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000373287097 217004258 /nfs/dbraw/zinc/00/42/58/217004258.db2.gz UALNDENZBUCOIK-UHFFFAOYSA-N 0 3 363.378 0.435 20 5 FCBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071749 211957570 /nfs/dbraw/zinc/95/75/70/211957570.db2.gz AJUFGVUNBXVIDD-GXSJLCMTSA-N 0 3 365.312 0.153 20 5 FCBDHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000183156103 209141651 /nfs/dbraw/zinc/14/16/51/209141651.db2.gz NQYYDDOZPWHXAK-CABCVRRESA-N 0 3 362.430 0.946 20 5 FCBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418931080 245913568 /nfs/dbraw/zinc/91/35/68/245913568.db2.gz GPGCSUMWLHVSTQ-LBPRGKRZSA-N 0 3 352.391 0.853 20 5 FCBDHN COCCNCCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419264270 246081820 /nfs/dbraw/zinc/08/18/20/246081820.db2.gz DKXFONNEDVJTGZ-GFCCVEGCSA-N 0 3 352.391 0.433 20 5 FCBDHN Cc1cc(=O)c(C(=O)NC[C@@H]2CNCCO2)nn1-c1ccccc1[N+](=O)[O-] ZINC000423992218 247158061 /nfs/dbraw/zinc/15/80/61/247158061.db2.gz NYFSWFIAHXAHQV-LBPRGKRZSA-N 0 3 373.369 0.167 20 5 FCBDHN CN(C)C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438539560 248087827 /nfs/dbraw/zinc/08/78/27/248087827.db2.gz YBHFFWDURGRVMX-UHFFFAOYSA-N 0 3 363.418 0.995 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440517850 248193431 /nfs/dbraw/zinc/19/34/31/248193431.db2.gz UBEPREZTAHEEAS-SFHVURJKSA-N 0 3 373.413 0.935 20 5 FCBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000270723579 211255085 /nfs/dbraw/zinc/25/50/85/211255085.db2.gz ROXVZCBHGWVEHY-UHFFFAOYSA-N 0 3 359.390 0.655 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472614138 250166242 /nfs/dbraw/zinc/16/62/42/250166242.db2.gz WBBIDPHJQDGFQV-UHFFFAOYSA-N 0 3 356.354 0.757 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181041719 209106917 /nfs/dbraw/zinc/10/69/17/209106917.db2.gz ARQYDWGFPZIMIB-UHFFFAOYSA-N 0 3 363.418 0.803 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000473997037 250261795 /nfs/dbraw/zinc/26/17/95/250261795.db2.gz TZKQWXVSDFNHRD-INIZCTEOSA-N 0 3 353.375 0.303 20 5 FCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123425 208172632 /nfs/dbraw/zinc/17/26/32/208172632.db2.gz NCHGHAVQCGVRFU-UHFFFAOYSA-N 0 3 360.414 0.904 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000266764667 210399855 /nfs/dbraw/zinc/39/98/55/210399855.db2.gz OJJJYVHDMNHTFR-UHFFFAOYSA-N 0 3 360.374 0.362 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(O)CCN(C)CC1 ZINC000266708009 210387557 /nfs/dbraw/zinc/38/75/57/210387557.db2.gz HZNIVSJUUMQKOH-LBPRGKRZSA-N 0 3 364.402 0.286 20 5 FCBDHN Cc1c(C(=O)N(C)C2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266285700 210315418 /nfs/dbraw/zinc/31/54/18/210315418.db2.gz PLPVNGLAOZWGQV-UHFFFAOYSA-N 0 3 370.431 0.717 20 5 FCBDHN C[C@@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000180424165 209096298 /nfs/dbraw/zinc/09/62/98/209096298.db2.gz YGBPAGBGRJWPIZ-LLVKDONJSA-N 0 3 372.385 0.693 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000178583541 209052988 /nfs/dbraw/zinc/05/29/88/209052988.db2.gz SEPVTCAFUYSFEP-MRXNPFEDSA-N 0 3 359.386 0.327 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000178809469 229224468 /nfs/dbraw/zinc/22/44/68/229224468.db2.gz XJFAIEYKIBGYHP-UHFFFAOYSA-N 0 3 360.374 0.608 20 5 FCBDHN CCN1CCN([C@H](C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302033887 488886606 /nfs/dbraw/zinc/88/66/06/488886606.db2.gz OLPCZGMNODAPQX-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN O=C(C[C@H]1CSCCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325736550 488911563 /nfs/dbraw/zinc/91/15/63/488911563.db2.gz XEHCNTHRLPIUDM-LBPRGKRZSA-N 0 3 351.432 0.734 20 5 FCBDHN O=C(C[C@@H]1CSCCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325736548 488911748 /nfs/dbraw/zinc/91/17/48/488911748.db2.gz XEHCNTHRLPIUDM-GFCCVEGCSA-N 0 3 351.432 0.734 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCCCC1 ZINC000044525980 487915909 /nfs/dbraw/zinc/91/59/09/487915909.db2.gz LNVMYFMJSTUKMZ-UHFFFAOYSA-N 0 3 360.370 0.793 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000049278095 488094556 /nfs/dbraw/zinc/09/45/56/488094556.db2.gz LKUZLNLTPNIQFM-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C ZINC000056967424 488261724 /nfs/dbraw/zinc/26/17/24/488261724.db2.gz POXJRHBRZXPIJU-SNVBAGLBSA-N 0 3 358.420 0.717 20 5 FCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000268214812 488397378 /nfs/dbraw/zinc/39/73/78/488397378.db2.gz PIMNVVUTUSFVKE-ZWNOBZJWSA-N 0 3 372.381 0.790 20 5 FCBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569867941 491200372 /nfs/dbraw/zinc/20/03/72/491200372.db2.gz QEAVCZLDRWHCAL-MFKMUULPSA-N 0 3 357.370 0.900 20 5 FCBDHN COc1cc(CCNC(=O)C[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000269215587 488479697 /nfs/dbraw/zinc/47/96/97/488479697.db2.gz UYLPAUSQBRHOJU-LBPRGKRZSA-N 0 3 353.375 0.649 20 5 FCBDHN C[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000269373241 488496833 /nfs/dbraw/zinc/49/68/33/488496833.db2.gz ZGIRZMXIWKVRQV-HNNXBMFYSA-N 0 3 370.431 0.379 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000252465862 488517972 /nfs/dbraw/zinc/51/79/72/488517972.db2.gz PPJKPZBMYVVZKJ-RDJZCZTQSA-N 0 3 365.430 0.989 20 5 FCBDHN CN(C(=O)CN1CCNC[C@H]1c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000261685212 488530886 /nfs/dbraw/zinc/53/08/86/488530886.db2.gz DOGMWMIENBUSKL-HNNXBMFYSA-N 0 3 358.402 0.938 20 5 FCBDHN O=C(CC[C@H]1CC[NH2+]C1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261877542 488539422 /nfs/dbraw/zinc/53/94/22/488539422.db2.gz SIYSKQJWMURWGP-LBPRGKRZSA-N 0 3 370.431 0.379 20 5 FCBDHN CC(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262320701 488564003 /nfs/dbraw/zinc/56/40/03/488564003.db2.gz RCIDCESOQKRMRU-AWEZNQCLSA-N 0 3 370.431 0.411 20 5 FCBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000562989956 491206081 /nfs/dbraw/zinc/20/60/81/491206081.db2.gz UNMGQWJQAILWKZ-GOEBONIOSA-N 0 3 367.402 0.562 20 5 FCBDHN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1 ZINC000262423160 488569651 /nfs/dbraw/zinc/56/96/51/488569651.db2.gz GILSKUMBXBCSHH-ZDUSSCGKSA-N 0 3 356.404 0.131 20 5 FCBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000122081666 488575128 /nfs/dbraw/zinc/57/51/28/488575128.db2.gz UOHSCVGHHSBEOV-AWEZNQCLSA-N 0 3 350.419 0.973 20 5 FCBDHN CCC[C@](C)([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262705736 488587543 /nfs/dbraw/zinc/58/75/43/488587543.db2.gz LXIQDDWVHJPRMG-AWEZNQCLSA-N 0 3 358.420 0.507 20 5 FCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000272616302 488592761 /nfs/dbraw/zinc/59/27/61/488592761.db2.gz TXRVEKHHBVIHSN-VHSXEESVSA-N 0 3 352.416 0.995 20 5 FCBDHN COCCN1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272791039 488605815 /nfs/dbraw/zinc/60/58/15/488605815.db2.gz CHYKCZLWDRWEKL-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN NC(=O)[C@]1(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000570054957 491212720 /nfs/dbraw/zinc/21/27/20/491212720.db2.gz HIJTVEFBMIOHFS-HNNXBMFYSA-N 0 3 350.331 0.127 20 5 FCBDHN COCCN(C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273055773 488628630 /nfs/dbraw/zinc/62/86/30/488628630.db2.gz WJFSAXLSXFPRPT-HNNXBMFYSA-N 0 3 350.375 0.782 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000263928716 488636810 /nfs/dbraw/zinc/63/68/10/488636810.db2.gz KPPLSSJOIYULPJ-NSHDSACASA-N 0 3 364.402 0.932 20 5 FCBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCCC1 ZINC000273536812 488657364 /nfs/dbraw/zinc/65/73/64/488657364.db2.gz SKGSHPAKEVAPNW-KGLIPLIRSA-N 0 3 366.443 0.795 20 5 FCBDHN CCOC(=O)c1cc(C(=O)NCCN(CC)CCO)cc([N+](=O)[O-])c1 ZINC000274530574 488717399 /nfs/dbraw/zinc/71/73/99/488717399.db2.gz IOKYKAAZLWCTDN-UHFFFAOYSA-N 0 3 353.375 0.816 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000153166831 488727965 /nfs/dbraw/zinc/72/79/65/488727965.db2.gz WPHURQUGKWXUFW-GFCCVEGCSA-N 0 3 364.406 0.015 20 5 FCBDHN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000266825579 488734338 /nfs/dbraw/zinc/73/43/38/488734338.db2.gz KKFLAVYZCXFQMG-CYBMUJFWSA-N 0 3 364.402 0.630 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159174673 488783848 /nfs/dbraw/zinc/78/38/48/488783848.db2.gz FCWMGWAIUSOFDL-MRXNPFEDSA-N 0 3 373.413 0.635 20 5 FCBDHN CCc1n[n-]c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171805624 488827132 /nfs/dbraw/zinc/82/71/32/488827132.db2.gz GQPTYBUTAPSJGM-UHFFFAOYSA-N 0 3 373.417 0.957 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171809451 488827380 /nfs/dbraw/zinc/82/73/80/488827380.db2.gz JILXKLZZDIRQLI-UHFFFAOYSA-N 0 3 364.406 0.261 20 5 FCBDHN C[C@]1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000563160155 491223677 /nfs/dbraw/zinc/22/36/77/491223677.db2.gz XJHMUMJLMIMLGK-HNNXBMFYSA-N 0 3 370.431 0.379 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000365337139 489064885 /nfs/dbraw/zinc/06/48/85/489064885.db2.gz PKAPEHRGBRLQPZ-OAHLLOKOSA-N 0 3 364.450 0.728 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000281337732 489068567 /nfs/dbraw/zinc/06/85/67/489068567.db2.gz CPAQGXPXHOYPRY-INIZCTEOSA-N 0 3 368.390 0.361 20 5 FCBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC000366309559 489169500 /nfs/dbraw/zinc/16/95/00/489169500.db2.gz OBSYLXRBFFCOTP-VROVMSAKSA-N 0 3 362.205 0.853 20 5 FCBDHN CN(C)CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000298469175 489328589 /nfs/dbraw/zinc/32/85/89/489328589.db2.gz PKJPYOZLCZTJDA-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN CCCc1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082244 489420910 /nfs/dbraw/zinc/42/09/10/489420910.db2.gz SGUAICXLXOLFPG-QWHCGFSZSA-N 0 3 351.407 0.942 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000299280271 489427911 /nfs/dbraw/zinc/42/79/11/489427911.db2.gz RCMRZVSRWRWKFJ-UHFFFAOYSA-N 0 3 350.375 0.544 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299304870 489430803 /nfs/dbraw/zinc/43/08/03/489430803.db2.gz UMMGUHUAIWYBJZ-UHFFFAOYSA-N 0 3 367.406 0.573 20 5 FCBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000426878664 489585282 /nfs/dbraw/zinc/58/52/82/489585282.db2.gz JXWSQQXJAGGXSR-GFCCVEGCSA-N 0 3 364.362 0.126 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457227435 489641067 /nfs/dbraw/zinc/64/10/67/489641067.db2.gz WBLXCDNHWFMAJY-UHFFFAOYSA-N 0 3 352.391 0.790 20 5 FCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COC3CCOCC3)CC2)n1 ZINC000489015070 489690990 /nfs/dbraw/zinc/69/09/90/489690990.db2.gz PKHHDLXSGPVQPV-CQSZACIVSA-N 0 3 354.407 0.985 20 5 FCBDHN COCCNCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429678790 489696988 /nfs/dbraw/zinc/69/69/88/489696988.db2.gz CWVQJZRSLRLTCT-UHFFFAOYSA-N 0 3 356.404 0.177 20 5 FCBDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418931073 489794510 /nfs/dbraw/zinc/79/45/10/489794510.db2.gz GPGCSUMWLHVSTQ-GFCCVEGCSA-N 0 3 352.391 0.853 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)cc1[N+](=O)[O-] ZINC000418954037 489803324 /nfs/dbraw/zinc/80/33/24/489803324.db2.gz WZLFVFZZDJDQKR-SMDDNHRTSA-N 0 3 364.402 0.805 20 5 FCBDHN COc1cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000420444694 489977408 /nfs/dbraw/zinc/97/74/08/489977408.db2.gz MLTAWVXEKKRVCK-NSHDSACASA-N 0 3 351.331 0.879 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545164265 490089150 /nfs/dbraw/zinc/08/91/50/490089150.db2.gz UOUMADDGJAIXOU-CQSZACIVSA-N 0 3 356.766 0.370 20 5 FCBDHN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000571299292 491299251 /nfs/dbraw/zinc/29/92/51/491299251.db2.gz ZEPBFFCUDRGAQZ-LBPRGKRZSA-N 0 3 352.391 0.546 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000497462876 490163895 /nfs/dbraw/zinc/16/38/95/490163895.db2.gz PZKAEACAAWGGKL-DGCLKSJQSA-N 0 3 350.423 0.724 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000497462876 490163899 /nfs/dbraw/zinc/16/38/99/490163899.db2.gz PZKAEACAAWGGKL-DGCLKSJQSA-N 0 3 350.423 0.724 20 5 FCBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466935968 490231145 /nfs/dbraw/zinc/23/11/45/490231145.db2.gz MNKZDWMCKDJQMA-LLVKDONJSA-N 0 3 365.390 0.935 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546789410 490245214 /nfs/dbraw/zinc/24/52/14/490245214.db2.gz NLTHNMCVPRBAFN-UHFFFAOYSA-N 0 3 364.406 0.198 20 5 FCBDHN C[C@@](O)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000467476150 490297490 /nfs/dbraw/zinc/29/74/90/490297490.db2.gz GKRSXWRGINVHQS-MRXNPFEDSA-N 0 3 363.374 0.284 20 5 FCBDHN C[C@H]1CCN(C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498722527 490332344 /nfs/dbraw/zinc/33/23/44/490332344.db2.gz OTGXQIRHQKDTKT-LBPRGKRZSA-N 0 3 362.386 0.873 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000467994173 490354875 /nfs/dbraw/zinc/35/48/75/490354875.db2.gz KVNHFZOJAQFTNN-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN C[NH+](C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000448744760 490376831 /nfs/dbraw/zinc/37/68/31/490376831.db2.gz CJEQAJDIALXGDU-ZDUSSCGKSA-N 0 3 370.431 0.330 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C(C)C ZINC000468939776 490468099 /nfs/dbraw/zinc/46/80/99/490468099.db2.gz KSMZSMDXVXMHRA-UHFFFAOYSA-N 0 3 359.404 1.000 20 5 FCBDHN [NH3+]C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422751998 490471458 /nfs/dbraw/zinc/47/14/58/490471458.db2.gz CDAGMBJGKXGRCB-NSHDSACASA-N 0 3 356.404 0.213 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000450589190 490475357 /nfs/dbraw/zinc/47/53/57/490475357.db2.gz CHAAFKWECIYISJ-GFCCVEGCSA-N 0 3 358.420 0.501 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCN1CCCO ZINC000450598771 490476706 /nfs/dbraw/zinc/47/67/06/490476706.db2.gz RDJSBESWOSITPL-LBPRGKRZSA-N 0 3 358.420 0.501 20 5 FCBDHN [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422860721 490488279 /nfs/dbraw/zinc/48/82/79/490488279.db2.gz IRSGFHXIWCKHST-QWRGUYRKSA-N 0 3 356.404 0.117 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582145 490504255 /nfs/dbraw/zinc/50/42/55/490504255.db2.gz PDMMZDFZJQUUMW-INIZCTEOSA-N 0 3 363.462 0.857 20 5 FCBDHN C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980074 490509810 /nfs/dbraw/zinc/50/98/10/490509810.db2.gz KRMDBAGIOYDDJW-OLZOCXBDSA-N 0 3 356.448 0.851 20 5 FCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000571861675 491333520 /nfs/dbraw/zinc/33/35/20/491333520.db2.gz IHRBUHMEAFZVEJ-UHFFFAOYSA-N 0 3 365.434 0.460 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511644437 490612459 /nfs/dbraw/zinc/61/24/59/490612459.db2.gz CIYIYEPSIGDCPK-WCQGTBRESA-N 0 3 352.313 0.645 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000556852373 491341259 /nfs/dbraw/zinc/34/12/59/491341259.db2.gz ANDXYLBURVXIRA-KRWDZBQOSA-N 0 3 372.385 0.362 20 5 FCBDHN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCN(C)C ZINC000556902106 491343031 /nfs/dbraw/zinc/34/30/31/491343031.db2.gz PTBRPKREUGYSGU-LBPRGKRZSA-N 0 3 374.401 0.577 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000537962891 490703881 /nfs/dbraw/zinc/70/38/81/490703881.db2.gz PCWNXNDKMGFORC-RISCZKNCSA-N 0 3 371.415 0.715 20 5 FCBDHN CN(CCN1CCCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000487504536 490715572 /nfs/dbraw/zinc/71/55/72/490715572.db2.gz CFBTWEPPWMEDJZ-UHFFFAOYSA-N 0 3 360.370 0.745 20 5 FCBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000572112646 491349176 /nfs/dbraw/zinc/34/91/76/491349176.db2.gz RSENXEMGXDKNFJ-ZIAGYGMSSA-N 0 3 367.402 0.562 20 5 FCBDHN CNC(=O)[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502866884 490725973 /nfs/dbraw/zinc/72/59/73/490725973.db2.gz UBWLZWNEIXNRTK-KBPBESRZSA-N 0 3 355.416 0.873 20 5 FCBDHN C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000503185964 490743132 /nfs/dbraw/zinc/74/31/32/490743132.db2.gz VOLYBKQXKBTDMX-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN CN1CC=C(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000539445969 490783612 /nfs/dbraw/zinc/78/36/12/490783612.db2.gz HGFHAKFKWRPAGD-UHFFFAOYSA-N 0 3 358.354 0.569 20 5 FCBDHN CN1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](CN)C1 ZINC000515842025 490840586 /nfs/dbraw/zinc/84/05/86/490840586.db2.gz KSULBGIDHAYNHE-GFCCVEGCSA-N 0 3 350.375 0.010 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CCN2C1=O ZINC000515870643 490842346 /nfs/dbraw/zinc/84/23/46/490842346.db2.gz UTFKXORRTPOOSJ-GWCFXTLKSA-N 0 3 355.354 0.527 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516878287 490882615 /nfs/dbraw/zinc/88/26/15/490882615.db2.gz FREKDUZYLDTIPE-KBPBESRZSA-N 0 3 361.402 0.476 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000542772463 490908319 /nfs/dbraw/zinc/90/83/19/490908319.db2.gz OPQDVGHXQNOJOA-CYBMUJFWSA-N 0 3 364.406 0.245 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265162 491363766 /nfs/dbraw/zinc/36/37/66/491363766.db2.gz NYYTYQWAVBKQRN-GXFFZTMASA-N 0 3 350.375 0.440 20 5 FCBDHN CSc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000565240585 491363871 /nfs/dbraw/zinc/36/38/71/491363871.db2.gz YTZUSHUVJDLNLF-WDEREUQCSA-N 0 3 350.400 0.701 20 5 FCBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240015 491363970 /nfs/dbraw/zinc/36/39/70/491363970.db2.gz PRYLJDDYUKIZNL-ZJUUUORDSA-N 0 3 374.806 0.181 20 5 FCBDHN CN(C)CCOCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000544340844 490966268 /nfs/dbraw/zinc/96/62/68/490966268.db2.gz JEDVZQHPQJAWOZ-UHFFFAOYSA-N 0 3 366.374 0.015 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000519570705 490977059 /nfs/dbraw/zinc/97/70/59/490977059.db2.gz LINIHWWEZAHQLM-INIZCTEOSA-N 0 3 350.375 0.279 20 5 FCBDHN Cc1ccc(CN2CC[C@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000573083766 491411113 /nfs/dbraw/zinc/41/11/13/491411113.db2.gz IKOQGNPUDSOVIV-IRXDYDNUSA-N 0 3 373.413 0.851 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573084488 491411300 /nfs/dbraw/zinc/41/13/00/491411300.db2.gz XYIMVZVFLHWFQG-OCCSQVGLSA-N 0 3 373.431 0.348 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCN2C1=O ZINC000573387046 491430295 /nfs/dbraw/zinc/43/02/95/491430295.db2.gz YTMBGVLWHOZCCF-CHWSQXEVSA-N 0 3 358.358 0.389 20 5 FCBDHN CSC1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(C)CC1 ZINC000558556062 491435982 /nfs/dbraw/zinc/43/59/82/491435982.db2.gz YVIGXZBKEYIWRO-UHFFFAOYSA-N 0 3 354.432 0.700 20 5 FCBDHN C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573562292 491440539 /nfs/dbraw/zinc/44/05/39/491440539.db2.gz XJGBFWNIZKOJSU-WDEREUQCSA-N 0 3 373.435 0.298 20 5 FCBDHN COc1cc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000566490926 491447673 /nfs/dbraw/zinc/44/76/73/491447673.db2.gz LVTDDXXMIHSVEB-NWDGAFQWSA-N 0 3 350.375 0.356 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000567166719 491489929 /nfs/dbraw/zinc/48/99/29/491489929.db2.gz LJSWILDNBBARNE-OLZOCXBDSA-N 0 3 358.416 0.603 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000560325142 491531389 /nfs/dbraw/zinc/53/13/89/491531389.db2.gz CYOMQQHDVBUZCA-GFCCVEGCSA-N 0 3 365.386 0.943 20 5 FCBDHN Cc1n[n-]c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000560530237 491543992 /nfs/dbraw/zinc/54/39/92/491543992.db2.gz XBXNCNBZWAVZMX-NSHDSACASA-N 0 3 350.379 0.051 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000576000609 491575169 /nfs/dbraw/zinc/57/51/69/491575169.db2.gz GFXAIZGBYWLEHG-CYBMUJFWSA-N 0 3 362.434 0.813 20 5 FCBDHN CN(CC(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000568447127 491577846 /nfs/dbraw/zinc/57/78/46/491577846.db2.gz DJPAOHJGJRXBLR-AWEZNQCLSA-N 0 3 350.419 0.994 20 5 FCBDHN NC[C@H]1CCCCN1C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000561230634 491587147 /nfs/dbraw/zinc/58/71/47/491587147.db2.gz ZCASTLKHLHHIFJ-CYBMUJFWSA-N 0 3 350.375 0.430 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCN2CCCO)cc1 ZINC000576227013 491595085 /nfs/dbraw/zinc/59/50/85/491595085.db2.gz DFOOVDAIZLMFFA-HNNXBMFYSA-N 0 3 371.459 0.805 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)C[C@@H]21 ZINC000577348347 491614063 /nfs/dbraw/zinc/61/40/63/491614063.db2.gz ITZHBEJDLKLZGC-CJNGLKHVSA-N 0 3 358.398 0.642 20 5 FCBDHN CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000569245785 491645747 /nfs/dbraw/zinc/64/57/47/491645747.db2.gz OLAZSMBZSREYLQ-LBPRGKRZSA-N 0 3 372.447 0.705 20 5 FCBDHN C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)NCCN(C)C ZINC000577886453 491660316 /nfs/dbraw/zinc/66/03/16/491660316.db2.gz KWJOKSUQIVUFJB-NSHDSACASA-N 0 3 374.401 0.781 20 5 FCBDHN CS(=O)(=O)C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCNCC1 ZINC000578630877 491681248 /nfs/dbraw/zinc/68/12/48/491681248.db2.gz GEKYWZZCJIRTGB-UHFFFAOYSA-N 0 3 353.400 0.651 20 5 FCBDHN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000579286708 491694759 /nfs/dbraw/zinc/69/47/59/491694759.db2.gz UFFMHTCBQRPEGS-LBPRGKRZSA-N 0 3 351.407 0.214 20 5 FCBDHN C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000579355320 491696180 /nfs/dbraw/zinc/69/61/80/491696180.db2.gz FFMQVFKVCXZFSN-WDEREUQCSA-N 0 3 356.404 0.069 20 5 FCBDHN O=C1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CCCCC1 ZINC000579463443 491698241 /nfs/dbraw/zinc/69/82/41/491698241.db2.gz TUCUMEOIUKMDHT-IUODEOHRSA-N 0 3 351.407 0.675 20 5 FCBDHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000579615198 491701845 /nfs/dbraw/zinc/70/18/45/491701845.db2.gz AIWZFQFAMZPLOV-JQWIXIFHSA-N 0 3 367.793 0.431 20 5 FCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CCNC1=O ZINC000581200677 491763748 /nfs/dbraw/zinc/76/37/48/491763748.db2.gz HKPKTETZDJRYNN-GFCCVEGCSA-N 0 3 370.431 0.331 20 5 FCBDHN CCN(C)C[C@H](O)Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000581380205 491770681 /nfs/dbraw/zinc/77/06/81/491770681.db2.gz LQRHQTAKLRWFPV-AWEZNQCLSA-N 0 3 372.385 0.803 20 5 FCBDHN CC(C)c1n[nH]c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590399184 491775519 /nfs/dbraw/zinc/77/55/19/491775519.db2.gz IBTZQYHHAIIVLV-UHFFFAOYSA-N 0 3 350.423 0.761 20 5 FCBDHN CC(C)c1[nH]nc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590399184 491775521 /nfs/dbraw/zinc/77/55/21/491775521.db2.gz IBTZQYHHAIIVLV-UHFFFAOYSA-N 0 3 350.423 0.761 20 5 FCBDHN Cc1c(C(=O)N[C@H](CO)CN2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548385 491778607 /nfs/dbraw/zinc/77/86/07/491778607.db2.gz BQRRIQYYZCFSSU-ZDUSSCGKSA-N 0 3 374.401 0.670 20 5 FCBDHN CC1(C)CNCCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000591678151 491818451 /nfs/dbraw/zinc/81/84/51/491818451.db2.gz KPWBCYGWNODAOF-UHFFFAOYSA-N 0 3 352.416 0.996 20 5 FCBDHN CS(=O)(=O)N1CCC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591728535 491822915 /nfs/dbraw/zinc/82/29/15/491822915.db2.gz SMWUUPJHKDQHAZ-STQMWFEESA-N 0 3 373.431 0.348 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000583199700 491839967 /nfs/dbraw/zinc/83/99/67/491839967.db2.gz ATKFKBIDQTZPJX-STQMWFEESA-N 0 3 358.416 0.749 20 5 FCBDHN COc1cc(OCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000595949030 491963867 /nfs/dbraw/zinc/96/38/67/491963867.db2.gz UXRHNTIZCVPCQL-UHFFFAOYSA-N 0 3 363.330 0.253 20 5 FCBDHN NS(=O)(=O)c1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596167492 491978011 /nfs/dbraw/zinc/97/80/11/491978011.db2.gz IANXTHPZNDZJOR-CYBMUJFWSA-N 0 3 370.431 0.907 20 5 FCBDHN CN1CCN(CCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598591093 492106287 /nfs/dbraw/zinc/10/62/87/492106287.db2.gz ZMWGKDHZJHIKBM-UHFFFAOYSA-N 0 3 365.438 0.271 20 5 FCBDHN COC(=O)c1ccnc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000598598467 492107210 /nfs/dbraw/zinc/10/72/10/492107210.db2.gz RYFHNVVFSPUQMT-CYBMUJFWSA-N 0 3 363.418 0.993 20 5 FCBDHN CCN1CCN(CC(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000598742900 492116624 /nfs/dbraw/zinc/11/66/24/492116624.db2.gz NQFZKSMKDCJZQL-UHFFFAOYSA-N 0 3 352.439 0.714 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598900505 492120930 /nfs/dbraw/zinc/12/09/30/492120930.db2.gz QVOYZKKKDZRCRB-HNNXBMFYSA-N 0 3 353.379 0.145 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608783904 492193015 /nfs/dbraw/zinc/19/30/15/492193015.db2.gz BTYCKAYZOPYOMP-ZDUSSCGKSA-N 0 3 351.407 0.606 20 5 FCBDHN COCCN(C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000608891296 492195148 /nfs/dbraw/zinc/19/51/48/492195148.db2.gz DVFASHINBBXFHS-GFCCVEGCSA-N 0 3 352.391 0.408 20 5 FCBDHN COc1cc(OCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938389 492219275 /nfs/dbraw/zinc/21/92/75/492219275.db2.gz OHAUWXXSWNGZRX-QWHCGFSZSA-N 0 3 365.386 0.650 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCN(C)c3ccncc32)c([N+](=O)[O-])n1 ZINC000611029209 492276260 /nfs/dbraw/zinc/27/62/60/492276260.db2.gz BIWIFOQGSCJPHR-UHFFFAOYSA-N 0 3 352.376 0.851 20 5 FCBDHN CC(C)(CCC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423661557 535011858 /nfs/dbraw/zinc/01/18/58/535011858.db2.gz AWCUYWMBBKDTIE-UHFFFAOYSA-N 0 3 358.420 0.507 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000547276451 546904455 /nfs/dbraw/zinc/90/44/55/546904455.db2.gz RKRRTSJXMTVRPM-OAHLLOKOSA-N 0 3 370.793 0.161 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000592555248 546954228 /nfs/dbraw/zinc/95/42/28/546954228.db2.gz PPDRGKGSJSTTFR-ZDUSSCGKSA-N 0 3 368.415 0.131 20 5 FCBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738360498 598531255 /nfs/dbraw/zinc/53/12/55/598531255.db2.gz QJEWJCFCEADIGE-LBPRGKRZSA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738360498 598531257 /nfs/dbraw/zinc/53/12/57/598531257.db2.gz QJEWJCFCEADIGE-LBPRGKRZSA-N 0 3 369.389 0.845 20 5 FCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226613 608438822 /nfs/dbraw/zinc/43/88/22/608438822.db2.gz CPBWTLVMUYJBHD-QWRGUYRKSA-N 0 3 350.408 0.652 20 5 FCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000826226613 608438823 /nfs/dbraw/zinc/43/88/23/608438823.db2.gz CPBWTLVMUYJBHD-QWRGUYRKSA-N 0 3 350.408 0.652 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000112362208 666874276 /nfs/dbraw/zinc/87/42/76/666874276.db2.gz RFKBKZGPGNBRAC-UHFFFAOYSA-N 0 3 362.427 0.848 20 5 FCBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826985456 669530702 /nfs/dbraw/zinc/53/07/02/669530702.db2.gz HBFRQLOSCGXVLR-JKSUJKDBSA-N 0 3 369.443 0.965 20 5 FCBDHN CC([C@@H](OC(=O)CN1CC(=O)N(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000860855295 671921873 /nfs/dbraw/zinc/92/18/73/671921873.db2.gz WLJBDFIGIXWIBU-LKFCYVNXSA-N 0 3 353.306 0.969 20 5 FCBDHN CC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001055609652 676027078 /nfs/dbraw/zinc/02/70/78/676027078.db2.gz OZTBMIADRMWFEK-ZIAGYGMSSA-N 0 3 352.435 0.539 20 5 FCBDHN Cc1nccn1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988539356 1192268054 /nfs/dbraw/zinc/26/80/54/1192268054.db2.gz RBDJNAWKYNOHHI-HUUCEWRRSA-N 0 3 363.418 0.554 20 5 FCBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218856497 1224240476 /nfs/dbraw/zinc/24/04/76/1224240476.db2.gz CKVWWYHVJXXLJM-KRWDZBQOSA-N 0 3 364.409 0.634 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083253 1198140369 /nfs/dbraw/zinc/14/03/69/1198140369.db2.gz RZSDSSAHBMPQAX-OCVGTWLNSA-N 0 3 370.413 0.917 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000747325406 1202727332 /nfs/dbraw/zinc/72/73/32/1202727332.db2.gz IUJWPRPLEHPCPN-ZFWWWQNUSA-N 0 3 363.370 0.974 20 5 FCBDHN Cc1nn(C)c(F)c1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953926873 1213024040 /nfs/dbraw/zinc/02/40/40/1213024040.db2.gz FPEYCYBCMFFKBF-VXGBXAGGSA-N 0 3 367.381 0.596 20 5 FCBDHN CCN(C(=O)c1cncc2nc[nH]c21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968037371 1215277351 /nfs/dbraw/zinc/27/73/51/1215277351.db2.gz FIWHOIFCUBZGAH-ZWNOBZJWSA-N 0 3 358.358 0.296 20 5 FCBDHN CC(C)C1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055639587 1215893908 /nfs/dbraw/zinc/89/39/08/1215893908.db2.gz QDRCBXXAMQEYRJ-HUUCEWRRSA-N 0 3 366.462 0.785 20 5 FCBDHN Cn1nncc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001001525698 1216234737 /nfs/dbraw/zinc/23/47/37/1216234737.db2.gz YPMCKXYMFNMDTP-UKRRQHHQSA-N 0 3 362.365 0.525 20 5 FCBDHN CN1CCN(c2ccnc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)CC1 ZINC001151290332 1222921392 /nfs/dbraw/zinc/92/13/92/1222921392.db2.gz NAPREXQUBICUIR-UHFFFAOYSA-N 0 3 372.385 0.542 20 5 FCBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCc1nnn2c1CNCCC2 ZINC001162971585 1223222888 /nfs/dbraw/zinc/22/28/88/1223222888.db2.gz LIAQGZKUNPGGHW-UHFFFAOYSA-N 0 3 361.362 0.782 20 5 FCBDHN Cc1cc(C(=O)N2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n[nH]1 ZINC000944363016 1247538270 /nfs/dbraw/zinc/53/82/70/1247538270.db2.gz QFFRQIVHJGNJMF-TZMCWYRMSA-N 0 3 361.402 0.838 20 5 FCBDHN Cc1cncn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944982536 1247701564 /nfs/dbraw/zinc/70/15/64/1247701564.db2.gz UFYUHDQHBDDOSK-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN O=C(CCCCc1c[nH]nn1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063700113 1254382230 /nfs/dbraw/zinc/38/22/30/1254382230.db2.gz TYKRIPNWMKLTKV-CHWSQXEVSA-N 0 3 364.406 0.338 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001319730634 1263724847 /nfs/dbraw/zinc/72/48/47/1263724847.db2.gz VBORNFULBUXTKU-TZMCWYRMSA-N 0 3 364.450 0.735 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC001323112100 1264342013 /nfs/dbraw/zinc/34/20/13/1264342013.db2.gz CAHGPHRZYCSHHX-UHFFFAOYSA-N 0 3 365.434 0.841 20 5 FCBDHN COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)CC1 ZINC001523587810 1266643726 /nfs/dbraw/zinc/64/37/26/1266643726.db2.gz YGDPMDQVTFCPOO-ZDUSSCGKSA-N 0 3 368.438 0.563 20 5 FCBDHN CO[C@@H]1C[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001579126294 1276803178 /nfs/dbraw/zinc/80/31/78/1276803178.db2.gz QTCYSIFTDMBTRM-PSASIEDQSA-N 0 3 369.321 0.879 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C[NH+]2CCCCC2)c1-c1nnn[n-]1 ZINC001592757825 1285679932 /nfs/dbraw/zinc/67/99/32/1285679932.db2.gz OTSXWOOSBAAAPH-SNVBAGLBSA-N 0 3 362.394 0.616 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C[NH+]2CCCCC2)c1-c1nn[n-]n1 ZINC001592757825 1285679935 /nfs/dbraw/zinc/67/99/35/1285679935.db2.gz OTSXWOOSBAAAPH-SNVBAGLBSA-N 0 3 362.394 0.616 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCNc2ncccc2-c2nnn[n-]2)c1 ZINC001593483502 1286173525 /nfs/dbraw/zinc/17/35/25/1286173525.db2.gz RMOJVRLEUIKBJK-AWEZNQCLSA-N 0 3 370.373 0.905 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCNc2ncccc2-c2nn[n-]n2)c1 ZINC001593483502 1286173528 /nfs/dbraw/zinc/17/35/28/1286173528.db2.gz RMOJVRLEUIKBJK-AWEZNQCLSA-N 0 3 370.373 0.905 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2noc3c2COCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363456 842127389 /nfs/dbraw/zinc/12/73/89/842127389.db2.gz VKLRSXSLUFPCLG-ZHSDAYTOSA-N 0 3 350.375 0.397 20 5 FCBDHN CCN1CCN(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001120569563 848247143 /nfs/dbraw/zinc/24/71/43/848247143.db2.gz BSWFYINGGXUPCX-UHFFFAOYSA-N 0 3 370.475 0.596 20 5 FCBDHN CC(C)(C)CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506683 849583206 /nfs/dbraw/zinc/58/32/06/849583206.db2.gz JDFRJZIHWKUWMV-CHWSQXEVSA-N 0 3 352.435 0.348 20 5 FCBDHN CCCn1nnnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494884 850413946 /nfs/dbraw/zinc/41/39/46/850413946.db2.gz XEZGQQYIVRWETJ-VXGBXAGGSA-N 0 3 351.411 0.124 20 5 FCBDHN COCCN1CCO[C@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025717 850603535 /nfs/dbraw/zinc/60/35/35/850603535.db2.gz UHOOYGQUCUQQOR-FPCVCCKLSA-N 0 3 355.435 0.628 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001307226160 866651058 /nfs/dbraw/zinc/65/10/58/866651058.db2.gz CKXUQIPZVARDBC-OLZOCXBDSA-N 0 3 370.431 0.278 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000265895855 210244459 /nfs/dbraw/zinc/24/44/59/210244459.db2.gz ZUUFYXQANZUGFA-UHFFFAOYSA-N 0 3 364.402 0.805 20 5 FCBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000188076669 529973732 /nfs/dbraw/zinc/97/37/32/529973732.db2.gz CQQUHTXNMSYQNE-GOSISDBHSA-N 0 3 373.413 0.887 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504557 215396056 /nfs/dbraw/zinc/39/60/56/215396056.db2.gz VQCPXYXZBRCXJS-KGLIPLIRSA-N 0 3 351.407 0.778 20 5 FCBDHN NC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1 ZINC000411971668 237129644 /nfs/dbraw/zinc/12/96/44/237129644.db2.gz JRFITSUGYYRAHJ-JKSUJKDBSA-N 0 3 356.382 0.957 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CC13CC[NH2+]CC3)OCCO2 ZINC000367822933 216168158 /nfs/dbraw/zinc/16/81/58/216168158.db2.gz MYIOIGHRUZOJRH-CQSZACIVSA-N 0 3 369.399 0.786 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)cc1C ZINC000237666635 209355929 /nfs/dbraw/zinc/35/59/29/209355929.db2.gz FYNLXJOVZGHXNU-UHFFFAOYSA-N 0 3 356.448 0.785 20 5 FCBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193226681 209309668 /nfs/dbraw/zinc/30/96/68/209309668.db2.gz XOMHRVBWTGGAQW-UHFFFAOYSA-N 0 3 356.448 0.785 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000193100599 209308988 /nfs/dbraw/zinc/30/89/88/209308988.db2.gz LUHSGJFBBUPBTD-UHFFFAOYSA-N 0 3 356.448 0.819 20 5 FCBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193104468 209308091 /nfs/dbraw/zinc/30/80/91/209308091.db2.gz CEFFNSBQEBUXNQ-ZDUSSCGKSA-N 0 3 356.448 0.899 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1)OCCO2 ZINC000369057765 216341705 /nfs/dbraw/zinc/34/17/05/216341705.db2.gz WLTPUTZXPRWSDK-JTQLQIEISA-N 0 3 357.388 0.786 20 5 FCBDHN CC(C)(CC(N)=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186252647 209189511 /nfs/dbraw/zinc/18/95/11/209189511.db2.gz RCGRYNYXKHVWLH-UHFFFAOYSA-N 0 3 363.418 0.487 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000374801748 217175262 /nfs/dbraw/zinc/17/52/62/217175262.db2.gz ONWKYVIKTGTHRP-QGZVFWFLSA-N 0 3 365.430 0.787 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000181962283 209123695 /nfs/dbraw/zinc/12/36/95/209123695.db2.gz RTYXPZZUSVRBKT-CVEARBPZSA-N 0 3 365.430 0.989 20 5 FCBDHN COCCNCCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163666 246026918 /nfs/dbraw/zinc/02/69/18/246026918.db2.gz KFFDXJFURJGQOS-UHFFFAOYSA-N 0 3 358.782 0.217 20 5 FCBDHN Cc1c(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419758276 246287092 /nfs/dbraw/zinc/28/70/92/246287092.db2.gz JVYROFXVLGNSFD-YPMHNXCESA-N 0 3 364.402 0.749 20 5 FCBDHN [NH3+][C@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423601499 247070317 /nfs/dbraw/zinc/07/03/17/247070317.db2.gz ZNDLSEBUOUPYPJ-QWRGUYRKSA-N 0 3 356.404 0.259 20 5 FCBDHN C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424007870 247161301 /nfs/dbraw/zinc/16/13/01/247161301.db2.gz VOMMFBOTQAMDDH-RYUDHWBXSA-N 0 3 370.431 0.316 20 5 FCBDHN COC(=O)CNC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504434 248192526 /nfs/dbraw/zinc/19/25/26/248192526.db2.gz WVUSDGNQEKACRF-NSHDSACASA-N 0 3 351.363 0.155 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000452346226 249308989 /nfs/dbraw/zinc/30/89/89/249308989.db2.gz GOEBYQIJXCYJRJ-OAHLLOKOSA-N 0 3 374.401 0.752 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453805988 249370421 /nfs/dbraw/zinc/37/04/21/249370421.db2.gz MTDPTZPSWSNBAJ-AWEZNQCLSA-N 0 3 364.402 0.805 20 5 FCBDHN Cc1ccc(NCCCNC(=O)CNC(=O)[C@@H](N)C(C)C)c([N+](=O)[O-])c1 ZINC000271118291 211338443 /nfs/dbraw/zinc/33/84/43/211338443.db2.gz GMDAAYMZNZEXJN-INIZCTEOSA-N 0 3 365.434 0.921 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270573077 211224880 /nfs/dbraw/zinc/22/48/80/211224880.db2.gz BVUVNACVQNTTPT-HOTGVXAUSA-N 0 3 373.413 0.791 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916350 533006689 /nfs/dbraw/zinc/00/66/89/533006689.db2.gz MJVPQIPCOUJGGO-ZIAGYGMSSA-N 0 3 367.402 0.371 20 5 FCBDHN CCCCNC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676645 208061774 /nfs/dbraw/zinc/06/17/74/208061774.db2.gz BWZIZFVQJLDBFE-ZFWWWQNUSA-N 0 3 353.423 0.781 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CN2CCOCC2)C1 ZINC000090548922 208132373 /nfs/dbraw/zinc/13/23/73/208132373.db2.gz SWFFWAGCBPSGEG-OAHLLOKOSA-N 0 3 350.419 0.801 20 5 FCBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266718048 210388531 /nfs/dbraw/zinc/38/85/31/210388531.db2.gz GRSHVYRDEODLEI-YPMHNXCESA-N 0 3 357.411 0.997 20 5 FCBDHN CN(C[C@@H](O)COCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549383 210355861 /nfs/dbraw/zinc/35/58/61/210355861.db2.gz TWRGSCVMJZPYPG-IAGOWNOFSA-N 0 3 364.402 0.662 20 5 FCBDHN COCCCN(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266183404 210298936 /nfs/dbraw/zinc/29/89/36/210298936.db2.gz YXEVCZYIXMGEGA-UHFFFAOYSA-N 0 3 366.418 0.799 20 5 FCBDHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCCN(C)C1 ZINC000266161767 210295316 /nfs/dbraw/zinc/29/53/16/210295316.db2.gz QMNIGQNEJZWHOY-LLVKDONJSA-N 0 3 360.370 0.743 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000174787090 229212258 /nfs/dbraw/zinc/21/22/58/229212258.db2.gz KUHVOCLBISBFBY-JSGCOSHPSA-N 0 3 361.406 0.570 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691741 488874736 /nfs/dbraw/zinc/87/47/36/488874736.db2.gz LDZMLZFNDWBYAG-NWDGAFQWSA-N 0 3 363.370 0.959 20 5 FCBDHN CCN1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000029976821 487738140 /nfs/dbraw/zinc/73/81/40/487738140.db2.gz RHSIYTWHXKQKRV-UHFFFAOYSA-N 0 3 360.370 0.791 20 5 FCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041718640 487837203 /nfs/dbraw/zinc/83/72/03/487837203.db2.gz OILVRROAPPOBLI-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN C[C@H](CN1CCOCC1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279690384 488962118 /nfs/dbraw/zinc/96/21/18/488962118.db2.gz HNWGJRMGGXIQFV-GDBMZVCRSA-N 0 3 353.419 0.987 20 5 FCBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CN1CCN(C)CC1 ZINC000074137661 488388150 /nfs/dbraw/zinc/38/81/50/488388150.db2.gz DWOGRIATEBERHH-NSHDSACASA-N 0 3 353.398 0.929 20 5 FCBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137609 488388205 /nfs/dbraw/zinc/38/82/05/488388205.db2.gz KZZUBUVINUGMKH-CQSZACIVSA-N 0 3 350.419 0.973 20 5 FCBDHN C[C@H]1CN(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644922 488397756 /nfs/dbraw/zinc/39/77/56/488397756.db2.gz WBERQHGAROLFNH-BBRMVZONSA-N 0 3 353.423 0.337 20 5 FCBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000194894833 488434810 /nfs/dbraw/zinc/43/48/10/488434810.db2.gz WPJJCALKENLZDP-UHFFFAOYSA-N 0 3 374.357 0.900 20 5 FCBDHN C[C@H](CC(=O)N(C)C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268870049 488454156 /nfs/dbraw/zinc/45/41/56/488454156.db2.gz XLJDTBSUHABRQT-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN O=C(NCC1CC1)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247511522 488486789 /nfs/dbraw/zinc/48/67/89/488486789.db2.gz MNSJLAQZXSUTFB-HIFRSBDPSA-N 0 3 351.407 0.390 20 5 FCBDHN Cc1nn(CCC(=O)NCCCCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000102488332 488497746 /nfs/dbraw/zinc/49/77/46/488497746.db2.gz GVHQMOXXYNXNCU-UHFFFAOYSA-N 0 3 366.466 0.942 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102489104 488497971 /nfs/dbraw/zinc/49/79/71/488497971.db2.gz YVWWDVPSYVNYCJ-AWEZNQCLSA-N 0 3 366.466 0.916 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249529093 488511569 /nfs/dbraw/zinc/51/15/69/488511569.db2.gz ZTBWNGUGMZJKBS-IJEWVQPXSA-N 0 3 353.419 0.721 20 5 FCBDHN CCC[C@](C)(N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262096845 488550153 /nfs/dbraw/zinc/55/01/53/488550153.db2.gz BQJOOWCFTMUSMJ-AWEZNQCLSA-N 0 3 358.420 0.507 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272437795 488580903 /nfs/dbraw/zinc/58/09/03/488580903.db2.gz ZMYGMCBUXBCYGE-UHFFFAOYSA-N 0 3 351.388 0.786 20 5 FCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262889468 488598173 /nfs/dbraw/zinc/59/81/73/488598173.db2.gz WUZCQAQLXWVKEY-NWDGAFQWSA-N 0 3 370.431 0.424 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272852188 488611556 /nfs/dbraw/zinc/61/15/56/488611556.db2.gz QXUJBMBLYNRVDS-GOEBONIOSA-N 0 3 350.375 0.517 20 5 FCBDHN CN1CCC(O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000272913372 488616439 /nfs/dbraw/zinc/61/64/39/488616439.db2.gz ZFDGDZWWCYYAMH-OAHLLOKOSA-N 0 3 362.386 0.661 20 5 FCBDHN CCN(C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263703781 488619974 /nfs/dbraw/zinc/61/99/74/488619974.db2.gz JARORDGQPFTXGK-UHFFFAOYSA-N 0 3 373.435 0.124 20 5 FCBDHN NC(=O)[C@@]1(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000570054958 491212692 /nfs/dbraw/zinc/21/26/92/491212692.db2.gz HIJTVEFBMIOHFS-OAHLLOKOSA-N 0 3 350.331 0.127 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000133377276 488659258 /nfs/dbraw/zinc/65/92/58/488659258.db2.gz SVVHXEBVNCFWRJ-CYBMUJFWSA-N 0 3 352.439 0.490 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000135183917 488672014 /nfs/dbraw/zinc/67/20/14/488672014.db2.gz GMDWWPAFCMNVRM-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN COCCCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151058486 488701673 /nfs/dbraw/zinc/70/16/73/488701673.db2.gz NVKRAEBRDMEOEI-UHFFFAOYSA-N 0 3 354.411 0.591 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152586536 488720033 /nfs/dbraw/zinc/72/00/33/488720033.db2.gz MKKOAMKVWVRZAX-INIZCTEOSA-N 0 3 360.414 0.902 20 5 FCBDHN CN(C)CCN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000266988477 488750727 /nfs/dbraw/zinc/75/07/27/488750727.db2.gz BOYUJGGGXDHJOT-UHFFFAOYSA-N 0 3 372.447 0.614 20 5 FCBDHN COCCN1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277978090 488795497 /nfs/dbraw/zinc/79/54/97/488795497.db2.gz FQLYXMCYJDMMQG-NSHDSACASA-N 0 3 362.390 0.991 20 5 FCBDHN C[C@@]1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000563160161 491223764 /nfs/dbraw/zinc/22/37/64/491223764.db2.gz XJHMUMJLMIMLGK-OAHLLOKOSA-N 0 3 370.431 0.379 20 5 FCBDHN C[NH+](C)[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280795284 489032085 /nfs/dbraw/zinc/03/20/85/489032085.db2.gz OVXSFDXZMKHPKA-GFCCVEGCSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000289374100 489062257 /nfs/dbraw/zinc/06/22/57/489062257.db2.gz OTOJJANHKOHRIZ-QGZVFWFLSA-N 0 3 362.430 0.808 20 5 FCBDHN O=C1N[C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281513900 489082128 /nfs/dbraw/zinc/08/21/28/489082128.db2.gz YWSDHEJFQCVRSJ-UPJWGTAASA-N 0 3 351.359 0.765 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588884 489091220 /nfs/dbraw/zinc/09/12/20/489091220.db2.gz NDQLPONVOAAXCJ-GHMZBOCLSA-N 0 3 356.404 0.517 20 5 FCBDHN CN(C)CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290238681 489123727 /nfs/dbraw/zinc/12/37/27/489123727.db2.gz LSGHHUCLVOVDCT-UHFFFAOYSA-N 0 3 359.180 0.974 20 5 FCBDHN Cc1nn(C)c(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331052034 489169993 /nfs/dbraw/zinc/16/99/93/489169993.db2.gz YPJHJRQHGNNTFT-UHFFFAOYSA-N 0 3 352.439 0.783 20 5 FCBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831816 489280024 /nfs/dbraw/zinc/28/00/24/489280024.db2.gz WISZDYJCRXCZGR-HIFRSBDPSA-N 0 3 374.401 0.898 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000298200226 489302893 /nfs/dbraw/zinc/30/28/93/489302893.db2.gz GTMIORNRKFUMHS-UHFFFAOYSA-N 0 3 364.402 0.886 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000370421138 489357518 /nfs/dbraw/zinc/35/75/18/489357518.db2.gz CWRAHUQVBSOTMG-OAHLLOKOSA-N 0 3 364.450 0.808 20 5 FCBDHN CC(C)NS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570564382 491249707 /nfs/dbraw/zinc/24/97/07/491249707.db2.gz NYCQCYQDAOWSKF-GFCCVEGCSA-N 0 3 361.420 0.252 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(S(N)(=O)=O)CC1 ZINC000361742031 489364679 /nfs/dbraw/zinc/36/46/79/489364679.db2.gz BPCSUIJRSLDAEO-UHFFFAOYSA-N 0 3 370.431 0.985 20 5 FCBDHN C[C@H]1CC[NH2+][C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423217380 489504272 /nfs/dbraw/zinc/50/42/72/489504272.db2.gz RZRAITAUOGLWLR-RYUDHWBXSA-N 0 3 370.431 0.377 20 5 FCBDHN C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000455428764 489592453 /nfs/dbraw/zinc/59/24/53/489592453.db2.gz HODMBQZCTWVECF-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN C[C@@H](CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000455442671 489592870 /nfs/dbraw/zinc/59/28/70/489592870.db2.gz OFBHFFIFVLZWOY-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN C[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000455439743 489592879 /nfs/dbraw/zinc/59/28/79/489592879.db2.gz LCUHIPCSKCCOEP-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN CN1CCC(n2ccc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)n2)CC1 ZINC000376052970 489729833 /nfs/dbraw/zinc/72/98/33/489729833.db2.gz IWZLOAWKRILDKH-UHFFFAOYSA-N 0 3 362.394 1.076 20 5 FCBDHN CCCN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000563888709 491275045 /nfs/dbraw/zinc/27/50/45/491275045.db2.gz SDLBYLUZDRKRKP-GFCCVEGCSA-N 0 3 370.431 0.474 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474347166 489755769 /nfs/dbraw/zinc/75/57/69/489755769.db2.gz DMVZFCOXUXIHEG-OCCSQVGLSA-N 0 3 354.359 0.634 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474347168 489755848 /nfs/dbraw/zinc/75/58/48/489755848.db2.gz DMVZFCOXUXIHEG-TZMCWYRMSA-N 0 3 354.359 0.634 20 5 FCBDHN O=C(CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000376776868 489794818 /nfs/dbraw/zinc/79/48/18/489794818.db2.gz FERFAAIKMUNBQI-MRXNPFEDSA-N 0 3 365.434 0.877 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000418945934 489799580 /nfs/dbraw/zinc/79/95/80/489799580.db2.gz NSWHPDGDBRBJNF-LBPRGKRZSA-N 0 3 352.391 0.709 20 5 FCBDHN Nc1c(C(=O)NCCCCN2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000432543213 489847532 /nfs/dbraw/zinc/84/75/32/489847532.db2.gz SLFMDLDYKGZOHW-UHFFFAOYSA-N 0 3 365.434 0.297 20 5 FCBDHN CN(CC(=O)N1CCNC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000477325230 489958364 /nfs/dbraw/zinc/95/83/64/489958364.db2.gz CQOJFXGCMPCOOQ-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN COCCN1CC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000465130605 490084904 /nfs/dbraw/zinc/08/49/04/490084904.db2.gz WIPOVKMYAGSVJG-ZDUSSCGKSA-N 0 3 365.386 0.745 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000407990986 490196695 /nfs/dbraw/zinc/19/66/95/490196695.db2.gz RKJBOCKGOXQBKO-NWDGAFQWSA-N 0 3 357.436 0.916 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](CO)[C@H](O)C1 ZINC000564490622 491310274 /nfs/dbraw/zinc/31/02/74/491310274.db2.gz JADCOYWGEQJTAU-BXUZGUMPSA-N 0 3 351.359 0.568 20 5 FCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2CS(=O)(=O)CCO2)n1 ZINC000447580374 490244665 /nfs/dbraw/zinc/24/46/65/490244665.db2.gz OGHUMMCSMQIZQU-YNEHKIRRSA-N 0 3 358.420 0.678 20 5 FCBDHN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000533550575 490253494 /nfs/dbraw/zinc/25/34/94/490253494.db2.gz QERFDXMKFUMSOU-UHFFFAOYSA-N 0 3 358.420 0.503 20 5 FCBDHN C[C@@H]1CCN(C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498722526 490332619 /nfs/dbraw/zinc/33/26/19/490332619.db2.gz OTGXQIRHQKDTKT-GFCCVEGCSA-N 0 3 362.386 0.873 20 5 FCBDHN C[NH+](C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000448744754 490377213 /nfs/dbraw/zinc/37/72/13/490377213.db2.gz CJEQAJDIALXGDU-CYBMUJFWSA-N 0 3 370.431 0.330 20 5 FCBDHN COCCN1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000522974607 490424355 /nfs/dbraw/zinc/42/43/55/490424355.db2.gz WDJFSVWIECQAHK-ZDUSSCGKSA-N 0 3 352.391 0.994 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000535041760 490442763 /nfs/dbraw/zinc/44/27/63/490442763.db2.gz FEVPALYVYYBMLL-UHFFFAOYSA-N 0 3 372.491 0.892 20 5 FCBDHN [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422860723 490487994 /nfs/dbraw/zinc/48/79/94/490487994.db2.gz IRSGFHXIWCKHST-WDEREUQCSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C)CCn1nnnc1SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510070097 490488568 /nfs/dbraw/zinc/48/85/68/490488568.db2.gz IRJYMIXAMGRQTN-UHFFFAOYSA-N 0 3 351.392 0.534 20 5 FCBDHN CC(C)[C@](C)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422871018 490489644 /nfs/dbraw/zinc/48/96/44/490489644.db2.gz YJBBPKSFHSIBIY-AWEZNQCLSA-N 0 3 358.420 0.363 20 5 FCBDHN C[C@H]1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000524775654 490559267 /nfs/dbraw/zinc/55/92/67/490559267.db2.gz LUAWSQGJQCLQHS-ZDUSSCGKSA-N 0 3 363.418 0.852 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501130378 490581790 /nfs/dbraw/zinc/58/17/90/490581790.db2.gz VLSOZFMKYATSAZ-LLVKDONJSA-N 0 3 352.395 0.001 20 5 FCBDHN COC(=O)c1cc(NC(=O)NC[C@]2(O)CCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869129 490677538 /nfs/dbraw/zinc/67/75/38/490677538.db2.gz PDCFITHLIOLCBM-MRXNPFEDSA-N 0 3 366.374 0.878 20 5 FCBDHN C[C@H]1CN(C)C[C@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159084 490698792 /nfs/dbraw/zinc/69/87/92/490698792.db2.gz WKAMQUVQKRGTKG-SMDDNHRTSA-N 0 3 355.416 0.682 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000502894318 490728214 /nfs/dbraw/zinc/72/82/14/490728214.db2.gz UWLBUGIMASNOHJ-IAQYHMDHSA-N 0 3 356.427 0.256 20 5 FCBDHN Cn1c(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000515043887 490805349 /nfs/dbraw/zinc/80/53/49/490805349.db2.gz AQGHWLMCWXDCOT-UHFFFAOYSA-N 0 3 365.434 0.460 20 5 FCBDHN CN(C)C(=O)CCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000516123933 490851902 /nfs/dbraw/zinc/85/19/02/490851902.db2.gz VBEYJNKPOKGIKO-UHFFFAOYSA-N 0 3 364.406 0.443 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000516171601 490853938 /nfs/dbraw/zinc/85/39/38/490853938.db2.gz SEZUTRYRYLAHCU-KRWDZBQOSA-N 0 3 363.370 0.568 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542065899 490883815 /nfs/dbraw/zinc/88/38/15/490883815.db2.gz SKJDXVLYDDVGJK-LLVKDONJSA-N 0 3 350.375 1.000 20 5 FCBDHN NS(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000516984188 490889346 /nfs/dbraw/zinc/88/93/46/490889346.db2.gz PBEWXNIYTPVUNF-UHFFFAOYSA-N 0 3 356.404 0.458 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000517588327 490913407 /nfs/dbraw/zinc/91/34/07/490913407.db2.gz JMRJPZZLXKNCIG-IACUBPJLSA-N 0 3 361.402 0.918 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000569716664 491184964 /nfs/dbraw/zinc/18/49/64/491184964.db2.gz RSXJFGOPWCUWAN-SJORKVTESA-N 0 3 361.402 0.831 20 5 FCBDHN CNc1nccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557633414 491388469 /nfs/dbraw/zinc/38/84/69/491388469.db2.gz IYZXGMPVZAKZJB-GFCCVEGCSA-N 0 3 350.423 0.645 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572764646 491392643 /nfs/dbraw/zinc/39/26/43/491392643.db2.gz FTATXVKGUMSDQS-OAHLLOKOSA-N 0 3 368.415 0.085 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CCN2C1=O ZINC000565963157 491409800 /nfs/dbraw/zinc/40/98/00/491409800.db2.gz QVRLKJUJJFYDOC-UONOGXRCSA-N 0 3 370.369 0.165 20 5 FCBDHN Cc1ccc(CN2CC[C@@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000573083764 491411008 /nfs/dbraw/zinc/41/10/08/491411008.db2.gz IKOQGNPUDSOVIV-DLBZAZTESA-N 0 3 373.413 0.851 20 5 FCBDHN C[C@H]1C[C@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566071483 491415615 /nfs/dbraw/zinc/41/56/15/491415615.db2.gz OCZZTYBTQMWMRU-WDEREUQCSA-N 0 3 356.404 0.069 20 5 FCBDHN COc1ccc([C@H]2OCC[C@@H]2NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000566132467 491419330 /nfs/dbraw/zinc/41/93/30/491419330.db2.gz RWMAHHKKZYPCOW-IJEWVQPXSA-N 0 3 363.374 0.676 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000566497329 491448801 /nfs/dbraw/zinc/44/88/01/491448801.db2.gz YVKTWFZOHWVVQW-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN CN1CCN(C(=O)CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000574271669 491484929 /nfs/dbraw/zinc/48/49/29/491484929.db2.gz XHXQADJYBIFYNY-AWEZNQCLSA-N 0 3 366.418 0.088 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000567166721 491489896 /nfs/dbraw/zinc/48/98/96/491489896.db2.gz LJSWILDNBBARNE-STQMWFEESA-N 0 3 358.416 0.603 20 5 FCBDHN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCN(C)C ZINC000560565796 491545409 /nfs/dbraw/zinc/54/54/09/491545409.db2.gz QIXXOWTXHZTIIB-LBPRGKRZSA-N 0 3 374.401 0.577 20 5 FCBDHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000575880188 491567190 /nfs/dbraw/zinc/56/71/90/491567190.db2.gz MKHKANYYLPUQLD-SECBINFHSA-N 0 3 356.354 0.539 20 5 FCBDHN CCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413126 491575471 /nfs/dbraw/zinc/57/54/71/491575471.db2.gz VKCAPKBDGBHNMV-BBRMVZONSA-N 0 3 350.375 0.674 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000577385433 491617581 /nfs/dbraw/zinc/61/75/81/491617581.db2.gz LBLMBVOPBDCXPQ-CHWSQXEVSA-N 0 3 358.416 0.891 20 5 FCBDHN COc1cc(OCC(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000569000519 491626286 /nfs/dbraw/zinc/62/62/86/491626286.db2.gz NVEZDWDFYQEBFW-QGZVFWFLSA-N 0 3 365.386 0.555 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccc(F)cc1 ZINC000569095864 491633015 /nfs/dbraw/zinc/63/30/15/491633015.db2.gz MQCQOIFINUUMBG-LSDHHAIUSA-N 0 3 363.349 0.686 20 5 FCBDHN NS(=O)(=O)CCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578064912 491669113 /nfs/dbraw/zinc/66/91/13/491669113.db2.gz ZZLCUDDMNKEOLI-UHFFFAOYSA-N 0 3 365.433 0.027 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000579113019 491691357 /nfs/dbraw/zinc/69/13/57/491691357.db2.gz BPBWZSOXUDFYGL-OCCSQVGLSA-N 0 3 358.416 0.749 20 5 FCBDHN O=C1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CCCCC1 ZINC000579463442 491698282 /nfs/dbraw/zinc/69/82/82/491698282.db2.gz TUCUMEOIUKMDHT-DOMZBBRYSA-N 0 3 351.407 0.675 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1O ZINC000579624545 491702018 /nfs/dbraw/zinc/70/20/18/491702018.db2.gz KJAVDLPHVWPGBS-IRXDYDNUSA-N 0 3 362.430 0.945 20 5 FCBDHN C[C@@H]1COCCN1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581176 491737042 /nfs/dbraw/zinc/73/70/42/491737042.db2.gz JVOMRIZTNZNPHW-CQSZACIVSA-N 0 3 350.419 0.942 20 5 FCBDHN CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](CN)C1 ZINC000583995211 491856243 /nfs/dbraw/zinc/85/62/43/491856243.db2.gz YCZXAKGMAYEHJT-HNNXBMFYSA-N 0 3 361.446 0.913 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595470507 491933951 /nfs/dbraw/zinc/93/39/51/491933951.db2.gz ONGNRRCNCVCUDW-OAHLLOKOSA-N 0 3 350.419 0.943 20 5 FCBDHN NS(=O)(=O)c1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596167493 491977937 /nfs/dbraw/zinc/97/79/37/491977937.db2.gz IANXTHPZNDZJOR-ZDUSSCGKSA-N 0 3 370.431 0.907 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596167934 491978398 /nfs/dbraw/zinc/97/83/98/491978398.db2.gz IYOHRDVQEBJOPE-OAHLLOKOSA-N 0 3 361.402 0.437 20 5 FCBDHN C[NH+]1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000596270411 491981614 /nfs/dbraw/zinc/98/16/14/491981614.db2.gz LROJLGNKCHLDLI-UHFFFAOYSA-N 0 3 351.407 0.904 20 5 FCBDHN CN1CCN(CCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603631511 492039576 /nfs/dbraw/zinc/03/95/76/492039576.db2.gz IORPMINXHRTQGK-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000597652690 492056908 /nfs/dbraw/zinc/05/69/08/492056908.db2.gz DWNFELBYKDHREN-HNNXBMFYSA-N 0 3 361.402 0.800 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000598183792 492087822 /nfs/dbraw/zinc/08/78/22/492087822.db2.gz AYAPGRUKSZINRT-UHFFFAOYSA-N 0 3 366.374 0.416 20 5 FCBDHN Cc1nn(CCC(=O)N(CCN(C)C)CC(=O)N(C)C)c(C)c1[N+](=O)[O-] ZINC000598188659 492088293 /nfs/dbraw/zinc/08/82/93/492088293.db2.gz WQQRVNGBLQKWPM-UHFFFAOYSA-N 0 3 368.438 0.277 20 5 FCBDHN COC(=O)c1ccnc(NCCCN2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000598592639 492106018 /nfs/dbraw/zinc/10/60/18/492106018.db2.gz KSVHZWQDSUJUOV-NSHDSACASA-N 0 3 365.390 0.776 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531172 492183762 /nfs/dbraw/zinc/18/37/62/492183762.db2.gz LLXJNPNBOSJFHI-RYUDHWBXSA-N 0 3 351.359 0.425 20 5 FCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000608867017 492194865 /nfs/dbraw/zinc/19/48/65/492194865.db2.gz HRQHTCWKWWNXKV-LBPRGKRZSA-N 0 3 370.431 0.461 20 5 FCBDHN CCCN(C)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609316477 492205003 /nfs/dbraw/zinc/20/50/03/492205003.db2.gz HNLOBWLLFAFMFF-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN1CCC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609383404 492207318 /nfs/dbraw/zinc/20/73/18/492207318.db2.gz ZOVMJMWWAKUEKL-LLVKDONJSA-N 0 3 360.370 0.649 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000610148529 492236328 /nfs/dbraw/zinc/23/63/28/492236328.db2.gz TXSPGTOWWFJKDF-UHFFFAOYSA-N 0 3 366.374 0.115 20 5 FCBDHN NC(=O)C1(c2ccccc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610369619 492243451 /nfs/dbraw/zinc/24/34/51/492243451.db2.gz HDWRCZPQIOMVKU-MRXNPFEDSA-N 0 3 373.413 0.671 20 5 FCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)N2CCOCC2)CC1 ZINC000611522433 492289385 /nfs/dbraw/zinc/28/93/85/492289385.db2.gz OAADMVOZMKARGD-UHFFFAOYSA-N 0 3 351.407 0.671 20 5 FCBDHN CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])C1 ZINC000438906619 535663489 /nfs/dbraw/zinc/66/34/89/535663489.db2.gz DMDHZWQQBZGEIK-UHFFFAOYSA-N 0 3 359.404 0.680 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000546586629 546888542 /nfs/dbraw/zinc/88/85/42/546888542.db2.gz IZNOVESXAHLAJC-HNNXBMFYSA-N 0 3 355.416 0.476 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000592429180 546949366 /nfs/dbraw/zinc/94/93/66/546949366.db2.gz BJFGHTQIYRXHMB-JSGCOSHPSA-N 0 3 350.379 0.008 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000593909710 546994358 /nfs/dbraw/zinc/99/43/58/546994358.db2.gz LOBFUJBJBLMBJY-GFCCVEGCSA-N 0 3 370.431 0.379 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000594733209 547003907 /nfs/dbraw/zinc/00/39/07/547003907.db2.gz RSUUQHSPQBUFEJ-ZDUSSCGKSA-N 0 3 360.436 0.489 20 5 FCBDHN COc1cc(CNC2CC(NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000619747935 547341120 /nfs/dbraw/zinc/34/11/20/547341120.db2.gz FVKPWSIGZQQIIK-UHFFFAOYSA-N 0 3 359.404 0.782 20 5 FCBDHN O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738369191 598523554 /nfs/dbraw/zinc/52/35/54/598523554.db2.gz JEOPGHZZFFNBAJ-JTQLQIEISA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738369191 598523556 /nfs/dbraw/zinc/52/35/56/598523556.db2.gz JEOPGHZZFFNBAJ-JTQLQIEISA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738360494 598531492 /nfs/dbraw/zinc/53/14/92/598531492.db2.gz QJEWJCFCEADIGE-GFCCVEGCSA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738360494 598531494 /nfs/dbraw/zinc/53/14/94/598531494.db2.gz QJEWJCFCEADIGE-GFCCVEGCSA-N 0 3 369.389 0.845 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955135485 674509471 /nfs/dbraw/zinc/50/94/71/674509471.db2.gz AHIANWAJSRYFDB-CHWSQXEVSA-N 0 3 350.375 0.289 20 5 FCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000743264563 668046373 /nfs/dbraw/zinc/04/63/73/668046373.db2.gz SWDAJFBBELIKNM-LBPRGKRZSA-N 0 3 351.319 0.859 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785801216 668732227 /nfs/dbraw/zinc/73/22/27/668732227.db2.gz QGABHLFIWLEDCC-NEPJUHHUSA-N 0 3 356.404 0.517 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)Cc2ccccc2)c1 ZINC000818976756 668967366 /nfs/dbraw/zinc/96/73/66/668967366.db2.gz NUDNYXCTEJRIHA-OAHLLOKOSA-N 0 3 368.415 0.357 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000819180728 668986388 /nfs/dbraw/zinc/98/63/88/668986388.db2.gz WWDOAKLIDZFOIZ-OAHLLOKOSA-N 0 3 366.399 0.591 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813101602 669827274 /nfs/dbraw/zinc/82/72/74/669827274.db2.gz DYHVVXDUUUMTTD-NSHDSACASA-N 0 3 358.372 0.530 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813109358 669827872 /nfs/dbraw/zinc/82/78/72/669827872.db2.gz JASJNRDMDDZSGG-VIFPVBQESA-N 0 3 361.332 0.472 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[N+](=O)[O-] ZINC000813114206 669828292 /nfs/dbraw/zinc/82/82/92/669828292.db2.gz NMGXVKHGKRLFKV-NSHDSACASA-N 0 3 358.372 0.530 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813115773 669828344 /nfs/dbraw/zinc/82/83/44/669828344.db2.gz ZJGFEEFPIZTDTO-MRVPVSSYSA-N 0 3 352.315 0.842 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813111207 669828360 /nfs/dbraw/zinc/82/83/60/669828360.db2.gz QNNAGVPPAAQFED-JTQLQIEISA-N 0 3 358.372 0.371 20 5 FCBDHN CC(COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113073 669828371 /nfs/dbraw/zinc/82/83/71/669828371.db2.gz ADHPTTBFBKQPCD-MNOVXSKESA-N 0 3 359.379 0.711 20 5 FCBDHN CC([C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876067 671045216 /nfs/dbraw/zinc/04/52/16/671045216.db2.gz NBNJQTAQEMRBKK-AMIZOPFISA-N 0 3 351.294 0.466 20 5 FCBDHN O=C(CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001000670690 676058931 /nfs/dbraw/zinc/05/89/31/676058931.db2.gz RNYOGGJLAIBJIU-HUUCEWRRSA-N 0 3 350.419 0.412 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2ncnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063937 1170551189 /nfs/dbraw/zinc/55/11/89/1170551189.db2.gz QAGOFNPJWUXAJH-AYRXBEOTSA-N 0 3 356.386 0.669 20 5 FCBDHN CN(C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001025777847 1182824757 /nfs/dbraw/zinc/82/47/57/1182824757.db2.gz PFPPPAZRRFACBO-GAGVYUBLSA-N 0 3 364.446 0.489 20 5 FCBDHN CNC(=O)c1ccc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000981137579 1186330054 /nfs/dbraw/zinc/33/00/54/1186330054.db2.gz YFIHEAITNNBUSF-HZPDHXFCSA-N 0 3 360.414 0.746 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2cnn(-c3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086364107 1198328588 /nfs/dbraw/zinc/32/85/88/1198328588.db2.gz UGHSECDYUQLYGN-BQGCOEIASA-N 0 3 370.413 0.917 20 5 FCBDHN CC([C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875395 1204561648 /nfs/dbraw/zinc/56/16/48/1204561648.db2.gz KMZJTXOJRWTHQR-RNCFNFMXSA-N 0 3 365.317 0.786 20 5 FCBDHN COC(=O)CNC(=O)[C@H](C)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177291 1206265812 /nfs/dbraw/zinc/26/58/12/1206265812.db2.gz AMBKCEYYUGIYFX-ZJUUUORDSA-N 0 3 371.365 0.941 20 5 FCBDHN C[C@]1(C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000776592989 1209545678 /nfs/dbraw/zinc/54/56/78/1209545678.db2.gz SJELBMIKURJUPO-RHSMWYFYSA-N 0 3 362.386 0.938 20 5 FCBDHN CN1CCN(CC2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000854643806 1209637323 /nfs/dbraw/zinc/63/73/23/1209637323.db2.gz YEBQAWFNZUJJTA-UHFFFAOYSA-N 0 3 372.429 0.650 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865619210 1209981315 /nfs/dbraw/zinc/98/13/15/1209981315.db2.gz PPEFACOKMVGNGS-AWEZNQCLSA-N 0 3 366.393 0.969 20 5 FCBDHN COC(=O)c1cnc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866212875 1209993655 /nfs/dbraw/zinc/99/36/55/1209993655.db2.gz KFOLDLMTXUNBTJ-UHFFFAOYSA-N 0 3 363.418 0.993 20 5 FCBDHN Cn1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546571772 1211437590 /nfs/dbraw/zinc/43/75/90/1211437590.db2.gz WKGFAKJASQIEKU-KRWDZBQOSA-N 0 3 359.386 0.792 20 5 FCBDHN O=C(NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn2cncc2c1 ZINC000948927526 1212262016 /nfs/dbraw/zinc/26/20/16/1212262016.db2.gz DTVYTRYJWXNDEN-HZPDHXFCSA-N 0 3 371.397 0.968 20 5 FCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC000954239559 1213050279 /nfs/dbraw/zinc/05/02/79/1213050279.db2.gz BXMSBYMRUSJHIZ-UKRRQHHQSA-N 0 3 370.369 0.215 20 5 FCBDHN Cn1cccc1C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055519565 1219065970 /nfs/dbraw/zinc/06/59/70/1219065970.db2.gz FBODAEYJECTSJX-UKRRQHHQSA-N 0 3 363.418 0.001 20 5 FCBDHN Cc1coc(C(=O)NC2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001055575665 1219084825 /nfs/dbraw/zinc/08/48/25/1219084825.db2.gz IZBNVLMZESGDCQ-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCCN(CCCO)C1 ZINC000833565484 1222556250 /nfs/dbraw/zinc/55/62/50/1222556250.db2.gz HYYRBROBJBTDSQ-CQSZACIVSA-N 0 3 361.402 0.908 20 5 FCBDHN Cn1nc(C2CC2)nc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494626 1223239364 /nfs/dbraw/zinc/23/93/64/1223239364.db2.gz PHEPZGNVSOAGSR-CHWSQXEVSA-N 0 3 362.434 0.734 20 5 FCBDHN CN(CCO)CCNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001303625690 1263110392 /nfs/dbraw/zinc/11/03/92/1263110392.db2.gz BEGIQBACZZTGTK-UHFFFAOYSA-N 0 3 372.328 0.074 20 5 FCBDHN CN1CCC2(CC1)NC(=O)N(CN1Cc3ccc([N+](=O)[O-])cc3C1)C2=O ZINC001318894472 1263623741 /nfs/dbraw/zinc/62/37/41/1263623741.db2.gz SCYBEBHZAMTQCQ-UHFFFAOYSA-N 0 3 359.386 0.884 20 5 FCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001326126875 1265061298 /nfs/dbraw/zinc/06/12/98/1265061298.db2.gz BOFILJNLNMRJFU-HNNXBMFYSA-N 0 3 372.381 0.962 20 5 FCBDHN CN(CCN1CCCC1)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001326571445 1265137215 /nfs/dbraw/zinc/13/72/15/1265137215.db2.gz IZIDXLRCIHBRFN-UHFFFAOYSA-N 0 3 364.402 0.644 20 5 FCBDHN COCCn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC2CC2)CC1 ZINC001341725641 1269173463 /nfs/dbraw/zinc/17/34/63/1269173463.db2.gz WVRNVIACHOJJLH-UHFFFAOYSA-N 0 3 352.439 0.666 20 5 FCBDHN C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001578987412 1276557710 /nfs/dbraw/zinc/55/77/10/1276557710.db2.gz CYCFPZUREIXWTO-HAQNSBGRSA-N 0 3 374.405 0.786 20 5 FCBDHN C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001578987412 1276557714 /nfs/dbraw/zinc/55/77/14/1276557714.db2.gz CYCFPZUREIXWTO-HAQNSBGRSA-N 0 3 374.405 0.786 20 5 FCBDHN C[NH+](C)C[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591012213 1284073174 /nfs/dbraw/zinc/07/31/74/1284073174.db2.gz MHIZFTYMMLLWJS-SNVBAGLBSA-N 0 3 358.362 0.658 20 5 FCBDHN C[NH+](C)C[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591012213 1284073182 /nfs/dbraw/zinc/07/31/82/1284073182.db2.gz MHIZFTYMMLLWJS-SNVBAGLBSA-N 0 3 358.362 0.658 20 5 FCBDHN C[N@H+](CCO)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591108671 1284181540 /nfs/dbraw/zinc/18/15/40/1284181540.db2.gz SJOPLWIGYNYTBW-UHFFFAOYSA-N 0 3 358.362 0.659 20 5 FCBDHN C[N@@H+](CCO)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591108671 1284181543 /nfs/dbraw/zinc/18/15/43/1284181543.db2.gz SJOPLWIGYNYTBW-UHFFFAOYSA-N 0 3 358.362 0.659 20 5 FCBDHN C[N@H+](CCO)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591108671 1284181549 /nfs/dbraw/zinc/18/15/49/1284181549.db2.gz SJOPLWIGYNYTBW-UHFFFAOYSA-N 0 3 358.362 0.659 20 5 FCBDHN C[N@@H+](CCO)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591108671 1284181554 /nfs/dbraw/zinc/18/15/54/1284181554.db2.gz SJOPLWIGYNYTBW-UHFFFAOYSA-N 0 3 358.362 0.659 20 5 FCBDHN C[NH+](C)CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001604680644 1287726528 /nfs/dbraw/zinc/72/65/28/1287726528.db2.gz OMQAPEQZBHWPGO-UHFFFAOYSA-N 0 3 374.405 0.375 20 5 FCBDHN C[NH+](C)CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001604680644 1287726536 /nfs/dbraw/zinc/72/65/36/1287726536.db2.gz OMQAPEQZBHWPGO-UHFFFAOYSA-N 0 3 374.405 0.375 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H](O)C[NH+]2CCCCC2)c1-c1nnn[n-]1 ZINC001592757816 1285679519 /nfs/dbraw/zinc/67/95/19/1285679519.db2.gz OTSXWOOSBAAAPH-JTQLQIEISA-N 0 3 362.394 0.616 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H](O)C[NH+]2CCCCC2)c1-c1nn[n-]n1 ZINC001592757816 1285679524 /nfs/dbraw/zinc/67/95/24/1285679524.db2.gz OTSXWOOSBAAAPH-JTQLQIEISA-N 0 3 362.394 0.616 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593481245 1286174571 /nfs/dbraw/zinc/17/45/71/1286174571.db2.gz PPDJVSZPLSKTCM-STQMWFEESA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481245 1286174574 /nfs/dbraw/zinc/17/45/74/1286174574.db2.gz PPDJVSZPLSKTCM-STQMWFEESA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593481245 1286174578 /nfs/dbraw/zinc/17/45/78/1286174578.db2.gz PPDJVSZPLSKTCM-STQMWFEESA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481245 1286174582 /nfs/dbraw/zinc/17/45/82/1286174582.db2.gz PPDJVSZPLSKTCM-STQMWFEESA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001593486910 1286176164 /nfs/dbraw/zinc/17/61/64/1286176164.db2.gz CNBRYSWMAKHXAG-UHFFFAOYSA-N 0 3 370.377 0.772 20 5 FCBDHN O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001593486910 1286176170 /nfs/dbraw/zinc/17/61/70/1286176170.db2.gz CNBRYSWMAKHXAG-UHFFFAOYSA-N 0 3 370.377 0.772 20 5 FCBDHN O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccccc2-c2nnn[n-]2)c1 ZINC001607086021 1288654189 /nfs/dbraw/zinc/65/41/89/1288654189.db2.gz QLSJTFNZBUQBIN-LBPRGKRZSA-N 0 3 374.361 0.001 20 5 FCBDHN O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccccc2-c2nn[n-]n2)c1 ZINC001607086021 1288654191 /nfs/dbraw/zinc/65/41/91/1288654191.db2.gz QLSJTFNZBUQBIN-LBPRGKRZSA-N 0 3 374.361 0.001 20 5 FCBDHN Cn1cc(-c2cc(CNC/C=C/CNC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cn1 ZINC001699256144 1289547073 /nfs/dbraw/zinc/54/70/73/1289547073.db2.gz ZXARCNLRIFTRGT-MZSZDEQASA-N 0 3 360.374 0.502 20 5 FCBDHN CC(C)n1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)nn1 ZINC001699883724 1289571963 /nfs/dbraw/zinc/57/19/63/1289571963.db2.gz XQTIKSJJLKCCGS-ZIAGYGMSSA-N 0 3 366.422 0.279 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2ncnn2CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082935 842117889 /nfs/dbraw/zinc/11/78/89/842117889.db2.gz IMYDRQUDXZQVCF-LMLFDSFASA-N 0 3 358.349 0.193 20 5 FCBDHN CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC001086363469 842127730 /nfs/dbraw/zinc/12/77/30/842127730.db2.gz VXDWRTWMMRBIFD-FDYHWXHSSA-N 0 3 350.423 0.588 20 5 FCBDHN COc1nc(SC)nc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162971952 850340397 /nfs/dbraw/zinc/34/03/97/850340397.db2.gz CWCSXYHSJYIJRE-UHFFFAOYSA-N 0 3 366.407 0.812 20 5 FCBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cnc2C(=O)OC)CCNC1 ZINC001170521729 850656931 /nfs/dbraw/zinc/65/69/31/850656931.db2.gz MSXZRDGQRBIQSJ-UHFFFAOYSA-N 0 3 350.331 0.999 20 5 FCBDHN O=c1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC001308264447 866711003 /nfs/dbraw/zinc/71/10/03/866711003.db2.gz MVSNRQKFPURDBK-UHFFFAOYSA-N 0 3 352.372 0.764 20 5 FCBDHN CN(C)c1cc(F)c(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295059779 214276632 /nfs/dbraw/zinc/27/66/32/214276632.db2.gz TZUJCGUBQGWLMN-UHFFFAOYSA-N 0 3 354.382 0.986 20 5 FCBDHN COC[C@]1(C(=O)OC)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150302 214279951 /nfs/dbraw/zinc/27/99/51/214279951.db2.gz MADGXVSUQVEKGN-GUYCJALGSA-N 0 3 368.386 0.846 20 5 FCBDHN COC[C@@]1(C(=O)OC)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175400 214335229 /nfs/dbraw/zinc/33/52/29/214335229.db2.gz IAXXYIUZNOLKOM-WMLDXEAASA-N 0 3 368.386 0.846 20 5 FCBDHN COC[C@]1(C(=O)OC)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175404 214335829 /nfs/dbraw/zinc/33/58/29/214335829.db2.gz IAXXYIUZNOLKOM-YOEHRIQHSA-N 0 3 368.386 0.846 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297417292 214398352 /nfs/dbraw/zinc/39/83/52/214398352.db2.gz OMAYOOVUMWQNDW-UHFFFAOYSA-N 0 3 356.354 0.411 20 5 FCBDHN Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265876265 210240728 /nfs/dbraw/zinc/24/07/28/210240728.db2.gz ZUACHMKNWGWEDU-LLVKDONJSA-N 0 3 370.431 0.717 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285707922 213381317 /nfs/dbraw/zinc/38/13/17/213381317.db2.gz IFSWLDOVKRLVEB-KGLIPLIRSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](N2CCCC2)C1 ZINC000361258749 215387154 /nfs/dbraw/zinc/38/71/54/215387154.db2.gz RGGXTVJPYALTFM-GFCCVEGCSA-N 0 3 372.381 0.888 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1)OCCO2 ZINC000262745778 209649392 /nfs/dbraw/zinc/64/93/92/209649392.db2.gz LNMVOWHNKIFNQO-SNVBAGLBSA-N 0 3 357.388 0.644 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000237814103 209358435 /nfs/dbraw/zinc/35/84/35/209358435.db2.gz GYPRBBZIJIJKPC-UHFFFAOYSA-N 0 3 362.839 0.822 20 5 FCBDHN Cc1cc(=O)c(C(=O)N[C@@H](CN)C2CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000237657757 209355426 /nfs/dbraw/zinc/35/54/26/209355426.db2.gz XROKUCVSLFVXLY-LBPRGKRZSA-N 0 3 357.370 0.916 20 5 FCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000192694602 209303399 /nfs/dbraw/zinc/30/33/99/209303399.db2.gz KRLBTJBTRDQIAG-CYBMUJFWSA-N 0 3 350.423 0.862 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000277537489 212371795 /nfs/dbraw/zinc/37/17/95/212371795.db2.gz WHUYIZCRXFSVMY-UWVGGRQHSA-N 0 3 356.404 0.373 20 5 FCBDHN COC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000276985956 212315025 /nfs/dbraw/zinc/31/50/25/212315025.db2.gz HMVKPNVSLAEKEQ-UHFFFAOYSA-N 0 3 373.431 0.658 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000276801123 212291458 /nfs/dbraw/zinc/29/14/58/212291458.db2.gz CPSNHLNGSWFURT-SECBINFHSA-N 0 3 366.374 0.695 20 5 FCBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000374290021 217115608 /nfs/dbraw/zinc/11/56/08/217115608.db2.gz XVJCFJFBHWTGQA-UKRRQHHQSA-N 0 3 350.423 0.276 20 5 FCBDHN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000181911052 209123921 /nfs/dbraw/zinc/12/39/21/209123921.db2.gz AYUWTIIZOMWUCU-UONOGXRCSA-N 0 3 359.386 0.931 20 5 FCBDHN C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1CN ZINC000419346888 246109626 /nfs/dbraw/zinc/10/96/26/246109626.db2.gz JDAIGZQMAHYOQJ-QMTHXVAHSA-N 0 3 374.401 0.673 20 5 FCBDHN CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](CN)C1 ZINC000419764650 246289925 /nfs/dbraw/zinc/28/99/25/246289925.db2.gz WDRSBKIKIUJWDI-ZIAGYGMSSA-N 0 3 364.402 0.484 20 5 FCBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1F ZINC000424040517 247162948 /nfs/dbraw/zinc/16/29/48/247162948.db2.gz QSHIBDRXMBMABG-DZGCQCFKSA-N 0 3 360.345 0.849 20 5 FCBDHN CN(C)C1(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000438508756 248087708 /nfs/dbraw/zinc/08/77/08/248087708.db2.gz DHRQKHMVZIIMIT-UHFFFAOYSA-N 0 3 362.386 0.921 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000473262581 250212142 /nfs/dbraw/zinc/21/21/42/250212142.db2.gz XBLBPPCWTMFBRT-INIZCTEOSA-N 0 3 362.390 0.608 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481873945 250370972 /nfs/dbraw/zinc/37/09/72/250370972.db2.gz ZEAKNWMKVMRHSV-UHFFFAOYSA-N 0 3 374.401 0.550 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CN2CCOCC2)C1 ZINC000090548920 208129953 /nfs/dbraw/zinc/12/99/53/208129953.db2.gz SWFFWAGCBPSGEG-HNNXBMFYSA-N 0 3 350.419 0.801 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000363696835 488875630 /nfs/dbraw/zinc/87/56/30/488875630.db2.gz AXLXJWDDNXLERI-ZDUSSCGKSA-N 0 3 370.431 0.907 20 5 FCBDHN CN(C)C1(CNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000287785528 488905339 /nfs/dbraw/zinc/90/53/39/488905339.db2.gz NPSVTTYWKUCGNL-UHFFFAOYSA-N 0 3 374.401 0.688 20 5 FCBDHN CN(C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000015206863 487576744 /nfs/dbraw/zinc/57/67/44/487576744.db2.gz JMCMCEPJFCDYDG-UHFFFAOYSA-N 0 3 358.420 0.589 20 5 FCBDHN CCN1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000029607785 487726318 /nfs/dbraw/zinc/72/63/18/487726318.db2.gz SBTZZDBJVXTDJB-UHFFFAOYSA-N 0 3 362.386 0.921 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000041923127 487847320 /nfs/dbraw/zinc/84/73/20/487847320.db2.gz CSKWFYMTWYXCPR-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN COCCN(CCN(C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067304934 488348331 /nfs/dbraw/zinc/34/83/31/488348331.db2.gz KFBQAYNSJVEEEZ-UHFFFAOYSA-N 0 3 362.390 0.826 20 5 FCBDHN CN(C)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000068341703 488363903 /nfs/dbraw/zinc/36/39/03/488363903.db2.gz NLMDEVUHDDUBHU-CYBMUJFWSA-N 0 3 362.386 0.873 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000081230731 488439927 /nfs/dbraw/zinc/43/99/27/488439927.db2.gz OFKIMEWPHXUVFZ-CYBMUJFWSA-N 0 3 363.418 0.533 20 5 FCBDHN CCC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000245965037 488468552 /nfs/dbraw/zinc/46/85/52/488468552.db2.gz VJQXGVPKYSGORV-GDBMZVCRSA-N 0 3 355.439 0.585 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554453238 491202955 /nfs/dbraw/zinc/20/29/55/491202955.db2.gz YWEDNDWRACWOTH-UHFFFAOYSA-N 0 3 352.395 0.050 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249529092 488511441 /nfs/dbraw/zinc/51/14/41/488511441.db2.gz ZTBWNGUGMZJKBS-DZKIICNBSA-N 0 3 353.419 0.721 20 5 FCBDHN CCn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c([N+](=O)[O-])n1 ZINC000261602549 488527026 /nfs/dbraw/zinc/52/70/26/488527026.db2.gz ALUIZXFEMDXHEU-QWHCGFSZSA-N 0 3 365.415 0.927 20 5 FCBDHN COCCNCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262161926 488554296 /nfs/dbraw/zinc/55/42/96/488554296.db2.gz SYBCCHWCMDIZDC-NSHDSACASA-N 0 3 354.363 0.145 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000121441197 488567792 /nfs/dbraw/zinc/56/77/92/488567792.db2.gz QLAOCWTXNJURNC-ZDUSSCGKSA-N 0 3 374.401 0.337 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000262451013 488570927 /nfs/dbraw/zinc/57/09/27/488570927.db2.gz FTNNNBFSOJJOQN-LLVKDONJSA-N 0 3 356.404 0.131 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000122201370 488575914 /nfs/dbraw/zinc/57/59/14/488575914.db2.gz WOTYLUPCVPOZLW-ZDUSSCGKSA-N 0 3 363.418 0.533 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000263275867 488608259 /nfs/dbraw/zinc/60/82/59/488608259.db2.gz YLADIXYTUNGWAJ-NHYWBVRUSA-N 0 3 364.406 0.102 20 5 FCBDHN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000272844385 488610827 /nfs/dbraw/zinc/61/08/27/488610827.db2.gz HBWUGOAWPKXQAS-NSHDSACASA-N 0 3 350.375 0.952 20 5 FCBDHN CN1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)CC1 ZINC000126657521 488611077 /nfs/dbraw/zinc/61/10/77/488611077.db2.gz JDZOWWAOKYLUJD-UHFFFAOYSA-N 0 3 363.418 0.984 20 5 FCBDHN CCN1CCN([C@H](C)CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127748237 488619718 /nfs/dbraw/zinc/61/97/18/488619718.db2.gz PJIZVTIWNUJYDS-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000130323970 488637160 /nfs/dbraw/zinc/63/71/60/488637160.db2.gz RLHKGUCMPSAWCW-OAHLLOKOSA-N 0 3 360.414 0.890 20 5 FCBDHN C[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C1CC1 ZINC000263960599 488639140 /nfs/dbraw/zinc/63/91/40/488639140.db2.gz WWLJYDKOYIZOLP-JTQLQIEISA-N 0 3 360.370 0.790 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131747689 488648190 /nfs/dbraw/zinc/64/81/90/488648190.db2.gz DEJFSBRHSSORST-HIFRSBDPSA-N 0 3 354.407 0.670 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000150892983 488700979 /nfs/dbraw/zinc/70/09/79/488700979.db2.gz LPMVDOHFUODQBD-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CN1CCC(O)(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267040840 488756042 /nfs/dbraw/zinc/75/60/42/488756042.db2.gz FPRFJBOLKGMBHY-UHFFFAOYSA-N 0 3 364.402 0.288 20 5 FCBDHN C[C@H]([NH3+])C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000563141054 491220597 /nfs/dbraw/zinc/22/05/97/491220597.db2.gz ACABNXSHJJWLNU-NSHDSACASA-N 0 3 370.431 0.459 20 5 FCBDHN CN(C)[C@@]1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092281 488760564 /nfs/dbraw/zinc/76/05/64/488760564.db2.gz ISILENKZSLOVTC-MRXNPFEDSA-N 0 3 366.443 0.878 20 5 FCBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000275135869 488765291 /nfs/dbraw/zinc/76/52/91/488765291.db2.gz SXZUOHSHKDKLQL-SNVBAGLBSA-N 0 3 362.308 0.757 20 5 FCBDHN COc1cc(OCC(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000267218853 488770507 /nfs/dbraw/zinc/77/05/07/488770507.db2.gz ZWHWXFKNDYGCRV-UHFFFAOYSA-N 0 3 353.375 0.555 20 5 FCBDHN O=[N+]([O-])c1cnc2ccc(NCCCCN3CCN(CCO)CC3)nn21 ZINC000159775420 488787407 /nfs/dbraw/zinc/78/74/07/488787407.db2.gz DFRRNYHEIXEVKS-UHFFFAOYSA-N 0 3 363.422 0.440 20 5 FCBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000160104598 488789590 /nfs/dbraw/zinc/78/95/90/488789590.db2.gz RGSQGTTYRPTNEO-LBPRGKRZSA-N 0 3 352.439 0.884 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)CC(F)(F)F)cc1 ZINC000570202088 491224548 /nfs/dbraw/zinc/22/45/48/491224548.db2.gz STDLAELALAUPKC-JTQLQIEISA-N 0 3 371.337 0.776 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)CC(F)(F)F)cc1 ZINC000570202091 491224619 /nfs/dbraw/zinc/22/46/19/491224619.db2.gz STDLAELALAUPKC-SNVBAGLBSA-N 0 3 371.337 0.776 20 5 FCBDHN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCOCC1 ZINC000180055484 488861801 /nfs/dbraw/zinc/86/18/01/488861801.db2.gz BLIBUIDLFRQXNF-OAHLLOKOSA-N 0 3 352.391 0.230 20 5 FCBDHN C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000288761128 489013959 /nfs/dbraw/zinc/01/39/59/489013959.db2.gz OEIQINUUKYCBOK-VXGBXAGGSA-N 0 3 370.431 0.377 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281653336 489094833 /nfs/dbraw/zinc/09/48/33/489094833.db2.gz IHMJUXXZGYTLPN-UHFFFAOYSA-N 0 3 364.402 0.934 20 5 FCBDHN CN1CCN(CC2(C)CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000330609724 489123452 /nfs/dbraw/zinc/12/34/52/489123452.db2.gz SNWLGPNDQXOHOK-UHFFFAOYSA-N 0 3 350.423 0.808 20 5 FCBDHN CN(C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760019 489163435 /nfs/dbraw/zinc/16/34/35/489163435.db2.gz JYTVTZUXPZTASC-WMLDXEAASA-N 0 3 362.386 0.817 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000291491999 489174323 /nfs/dbraw/zinc/17/43/23/489174323.db2.gz BHZCGDZYJYQGTJ-BXUZGUMPSA-N 0 3 372.381 0.743 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000283040939 489209150 /nfs/dbraw/zinc/20/91/50/489209150.db2.gz NLLYWXNGQUJZMO-QMMMGPOBSA-N 0 3 367.343 0.552 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(C(N)=O)CC1 ZINC000284250773 489306452 /nfs/dbraw/zinc/30/64/52/489306452.db2.gz LLUWGZOWGQWMQG-UHFFFAOYSA-N 0 3 350.375 0.544 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@@H](CO)CC[C@@H]1CO ZINC000298562820 489337889 /nfs/dbraw/zinc/33/78/89/489337889.db2.gz PQUCOZVETZWVLP-CHWSQXEVSA-N 0 3 353.375 0.750 20 5 FCBDHN N[C@@H]1C[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000563432698 491244613 /nfs/dbraw/zinc/24/46/13/491244613.db2.gz KAAHEEIGWFKIEY-DTWKUNHWSA-N 0 3 356.180 0.501 20 5 FCBDHN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371581651 489489291 /nfs/dbraw/zinc/48/92/91/489489291.db2.gz HMQUHXVERSYOHU-ZFWWWQNUSA-N 0 3 362.434 0.901 20 5 FCBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665923 489516094 /nfs/dbraw/zinc/51/60/94/489516094.db2.gz RDEDJEVCFSEVNE-QLFBSQMISA-N 0 3 353.419 0.721 20 5 FCBDHN CCOc1cc(NC(=O)C(=O)N(C)CCN)c([N+](=O)[O-])cc1OCC ZINC000415874636 489562952 /nfs/dbraw/zinc/56/29/52/489562952.db2.gz BJNBFYUXZZQGGK-UHFFFAOYSA-N 0 3 354.363 0.748 20 5 FCBDHN CC(C)[N@H+](C)C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000426777987 489582330 /nfs/dbraw/zinc/58/23/30/489582330.db2.gz SLLONZDORHAQSG-LBPRGKRZSA-N 0 3 372.447 0.718 20 5 FCBDHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000426777987 489582334 /nfs/dbraw/zinc/58/23/34/489582334.db2.gz SLLONZDORHAQSG-LBPRGKRZSA-N 0 3 372.447 0.718 20 5 FCBDHN CNc1nc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455666955 489598251 /nfs/dbraw/zinc/59/82/51/489598251.db2.gz QHSFPSUUEVRKNH-GFCCVEGCSA-N 0 3 350.423 0.645 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1F ZINC000570836741 491268056 /nfs/dbraw/zinc/26/80/56/491268056.db2.gz KWTUCFKMAQMJFN-GXTWGEPZSA-N 0 3 363.349 0.686 20 5 FCBDHN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCNCC1 ZINC000428415320 489647150 /nfs/dbraw/zinc/64/71/50/489647150.db2.gz ZTAUYGWFNZPLBF-NSHDSACASA-N 0 3 370.431 0.861 20 5 FCBDHN C[NH2+]C[C@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685540 489660917 /nfs/dbraw/zinc/66/09/17/489660917.db2.gz YLOOHWPCLMGWQV-NSHDSACASA-N 0 3 373.435 0.028 20 5 FCBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000563838292 491272475 /nfs/dbraw/zinc/27/24/75/491272475.db2.gz YOUQUSLPNBFTMT-SNVBAGLBSA-N 0 3 356.810 0.973 20 5 FCBDHN CC(C)[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000489872319 489732615 /nfs/dbraw/zinc/73/26/15/489732615.db2.gz DVIWDZUANIIIGW-CYBMUJFWSA-N 0 3 358.420 0.510 20 5 FCBDHN O=C(CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000376776866 489794665 /nfs/dbraw/zinc/79/46/65/489794665.db2.gz FERFAAIKMUNBQI-INIZCTEOSA-N 0 3 365.434 0.877 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000418952133 489802785 /nfs/dbraw/zinc/80/27/85/489802785.db2.gz VDXMFSCEFURGLL-ZDUSSCGKSA-N 0 3 364.402 0.853 20 5 FCBDHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420136337 489926009 /nfs/dbraw/zinc/92/60/09/489926009.db2.gz CUAJSAOMMDBBOF-LBPRGKRZSA-N 0 3 364.402 0.818 20 5 FCBDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377736730 489949935 /nfs/dbraw/zinc/94/99/35/489949935.db2.gz BXLQLYXNXQNGSM-OAHLLOKOSA-N 0 3 368.459 0.995 20 5 FCBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000564159586 491291855 /nfs/dbraw/zinc/29/18/55/491291855.db2.gz PTQUOHZRZVKHRO-ZDUSSCGKSA-N 0 3 366.374 0.968 20 5 FCBDHN CNS(=O)(=O)c1ccc(NCCN(C)CCCOC)c([N+](=O)[O-])c1 ZINC000462885114 489994085 /nfs/dbraw/zinc/99/40/85/489994085.db2.gz ANPKLIBRPQHOQA-UHFFFAOYSA-N 0 3 360.436 0.883 20 5 FCBDHN CCCN(C)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421997856 490124587 /nfs/dbraw/zinc/12/45/87/490124587.db2.gz YGAWSGQBIXCYHR-UHFFFAOYSA-N 0 3 372.447 0.673 20 5 FCBDHN CN(C)CCOCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446907357 490170467 /nfs/dbraw/zinc/17/04/67/490170467.db2.gz CZTONUCVTCWOCB-UHFFFAOYSA-N 0 3 350.379 0.849 20 5 FCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2CS(=O)(=O)CCO2)n1 ZINC000447580372 490244648 /nfs/dbraw/zinc/24/46/48/490244648.db2.gz OGHUMMCSMQIZQU-JHJVBQTASA-N 0 3 358.420 0.678 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])n1 ZINC000533633561 490269369 /nfs/dbraw/zinc/26/93/69/490269369.db2.gz YSSQHFQDMZVTBT-VXGBXAGGSA-N 0 3 357.436 0.916 20 5 FCBDHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1OC ZINC000522013660 490326287 /nfs/dbraw/zinc/32/62/87/490326287.db2.gz HRJHLFIDBXDAKR-JTQLQIEISA-N 0 3 368.390 0.408 20 5 FCBDHN Cc1n[nH]c(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467650253 490326378 /nfs/dbraw/zinc/32/63/78/490326378.db2.gz KXFMKYDPTJALJZ-NSHDSACASA-N 0 3 373.435 0.207 20 5 FCBDHN Cc1[nH]nc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467650253 490326383 /nfs/dbraw/zinc/32/63/83/490326383.db2.gz KXFMKYDPTJALJZ-NSHDSACASA-N 0 3 373.435 0.207 20 5 FCBDHN Cc1c(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000483812408 490345459 /nfs/dbraw/zinc/34/54/59/490345459.db2.gz ZIZIBMSZXRXLQB-UHFFFAOYSA-N 0 3 374.401 0.916 20 5 FCBDHN CN(C)CCO[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000534496347 490371037 /nfs/dbraw/zinc/37/10/37/490371037.db2.gz BCIUARNLKNNLCT-LLVKDONJSA-N 0 3 358.420 0.399 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000522974606 490424423 /nfs/dbraw/zinc/42/44/23/490424423.db2.gz WDJFSVWIECQAHK-CYBMUJFWSA-N 0 3 352.391 0.994 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535004401 490435369 /nfs/dbraw/zinc/43/53/69/490435369.db2.gz GKDHMZNQGNOVHA-HNNXBMFYSA-N 0 3 360.418 0.028 20 5 FCBDHN CCCN(CCN(C)C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000468828171 490453676 /nfs/dbraw/zinc/45/36/76/490453676.db2.gz FKVVVEOGOUGOPV-UHFFFAOYSA-N 0 3 372.447 0.964 20 5 FCBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CN1CCN(C)CC1 ZINC000523698857 490488185 /nfs/dbraw/zinc/48/81/85/490488185.db2.gz XZBCKGAZKICZJG-GFCCVEGCSA-N 0 3 364.402 0.937 20 5 FCBDHN C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C)C ZINC000450822128 490492435 /nfs/dbraw/zinc/49/24/35/490492435.db2.gz SEHDKNODDDIWGM-LBPRGKRZSA-N 0 3 372.447 0.978 20 5 FCBDHN O=C1NC(=O)C2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000535548805 490499356 /nfs/dbraw/zinc/49/93/56/490499356.db2.gz NLJIQIAMZXPWAF-GFCCVEGCSA-N 0 3 364.358 0.009 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000510247590 490501113 /nfs/dbraw/zinc/50/11/13/490501113.db2.gz YVTYRGKKKFDCOD-INIZCTEOSA-N 0 3 373.413 0.942 20 5 FCBDHN C[C@H](C[C@@H]1COCCN1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034868 490526538 /nfs/dbraw/zinc/52/65/38/490526538.db2.gz IRABTKKMBUPLEJ-CHWSQXEVSA-N 0 3 357.432 0.725 20 5 FCBDHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000524267089 490529319 /nfs/dbraw/zinc/52/93/19/490529319.db2.gz COVJNRVFHRVXET-CHWSQXEVSA-N 0 3 366.422 0.534 20 5 FCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1([NH+]2CCCC2)CCOCC1 ZINC000525688386 490620193 /nfs/dbraw/zinc/62/01/93/490620193.db2.gz AYWHWVAARUNEHR-UHFFFAOYSA-N 0 3 370.431 0.913 20 5 FCBDHN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCN(C)C ZINC000556903546 491343167 /nfs/dbraw/zinc/34/31/67/491343167.db2.gz NTOSTAWKWZXTMN-SNVBAGLBSA-N 0 3 366.374 0.162 20 5 FCBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502866885 490726272 /nfs/dbraw/zinc/72/62/72/490726272.db2.gz UBWLZWNEIXNRTK-KGLIPLIRSA-N 0 3 355.416 0.873 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000502920874 490730356 /nfs/dbraw/zinc/73/03/56/490730356.db2.gz UDNYNQSYJBLFGE-KRWDZBQOSA-N 0 3 362.386 0.951 20 5 FCBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000515647103 490834402 /nfs/dbraw/zinc/83/44/02/490834402.db2.gz GZYDYOFWPLJGBQ-VIFPVBQESA-N 0 3 356.766 0.083 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000530577509 490913852 /nfs/dbraw/zinc/91/38/52/490913852.db2.gz BZMUFDNGYBDWOS-CYBMUJFWSA-N 0 3 364.402 0.500 20 5 FCBDHN NC(=O)C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000544459469 490968919 /nfs/dbraw/zinc/96/89/19/490968919.db2.gz SMDIKPGNCJTRIF-ZDUSSCGKSA-N 0 3 350.375 0.454 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000569528060 491166286 /nfs/dbraw/zinc/16/62/86/491166286.db2.gz OMYSIMNLYMXSPO-FZMZJTMJSA-N 0 3 353.375 0.607 20 5 FCBDHN Cc1c(CNC(=O)C2(S(C)(=O)=O)CCNCC2)cccc1[N+](=O)[O-] ZINC000565481794 491379415 /nfs/dbraw/zinc/37/94/15/491379415.db2.gz FWULINYHMDCWBK-UHFFFAOYSA-N 0 3 355.416 0.686 20 5 FCBDHN CCS(=O)(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566005027 491411499 /nfs/dbraw/zinc/41/14/99/491411499.db2.gz NYIREDOVDXKIKT-CQSZACIVSA-N 0 3 368.415 0.736 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000573133403 491414921 /nfs/dbraw/zinc/41/49/21/491414921.db2.gz UDRNTFDDRHAOTR-BXUZGUMPSA-N 0 3 353.375 0.607 20 5 FCBDHN O=C(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000566106084 491417820 /nfs/dbraw/zinc/41/78/20/491417820.db2.gz GMSSJJYJYXQJQO-AWEZNQCLSA-N 0 3 353.375 0.173 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000566481198 491446749 /nfs/dbraw/zinc/44/67/49/491446749.db2.gz JWBDJGBATXDLEG-GFCCVEGCSA-N 0 3 353.354 0.932 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000574453680 491497650 /nfs/dbraw/zinc/49/76/50/491497650.db2.gz AXAZGXSUJBGQJY-WDEREUQCSA-N 0 3 356.404 0.130 20 5 FCBDHN CCN1CCN(CCCCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000574462191 491498784 /nfs/dbraw/zinc/49/87/84/491498784.db2.gz DCEMCVLBNPHGDM-UHFFFAOYSA-N 0 3 364.450 1.179 20 5 FCBDHN COC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000575248669 491547817 /nfs/dbraw/zinc/54/78/17/491547817.db2.gz OUZWMGNXXBVKLO-ZDUSSCGKSA-N 0 3 364.358 0.737 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000584378090 491584529 /nfs/dbraw/zinc/58/45/29/491584529.db2.gz VADJSZMFBNDJBZ-QGZVFWFLSA-N 0 3 372.385 0.362 20 5 FCBDHN COc1ccc(NC(=O)CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000577241737 491605846 /nfs/dbraw/zinc/60/58/46/491605846.db2.gz ZWXJUOMGCZOYJH-AWEZNQCLSA-N 0 3 353.375 0.919 20 5 FCBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1S(C)(=O)=O ZINC000569333036 491652409 /nfs/dbraw/zinc/65/24/09/491652409.db2.gz ONUXQYILLKXNAA-CQSZACIVSA-N 0 3 368.415 0.654 20 5 FCBDHN C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)NCCN(C)C ZINC000577886452 491660253 /nfs/dbraw/zinc/66/02/53/491660253.db2.gz KWJOKSUQIVUFJB-LLVKDONJSA-N 0 3 374.401 0.781 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]2N)cn1 ZINC000578739125 491683286 /nfs/dbraw/zinc/68/32/86/491683286.db2.gz MXEYTCIAPFEJRQ-UONOGXRCSA-N 0 3 373.369 0.666 20 5 FCBDHN CN(C)CCOc1cnccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000580020067 491713690 /nfs/dbraw/zinc/71/36/90/491713690.db2.gz APQYSZQEQMKATN-UHFFFAOYSA-N 0 3 362.390 0.833 20 5 FCBDHN CCN(C)C[C@@H](O)Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000581380206 491770613 /nfs/dbraw/zinc/77/06/13/491770613.db2.gz LQRHQTAKLRWFPV-CQSZACIVSA-N 0 3 372.385 0.803 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368075 491809469 /nfs/dbraw/zinc/80/94/69/491809469.db2.gz ULDRSFHWJXZKDQ-DZGCQCFKSA-N 0 3 353.423 0.415 20 5 FCBDHN C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1N(C)C ZINC000583010417 491835889 /nfs/dbraw/zinc/83/58/89/491835889.db2.gz IZRVUOSVKUJCTQ-LRDDRELGSA-N 0 3 360.414 0.888 20 5 FCBDHN C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1N(C)C ZINC000583010419 491836156 /nfs/dbraw/zinc/83/61/56/491836156.db2.gz IZRVUOSVKUJCTQ-WBMJQRKESA-N 0 3 360.414 0.888 20 5 FCBDHN C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583441594 491845095 /nfs/dbraw/zinc/84/50/95/491845095.db2.gz YFTAMSJSEIQGRA-VXGBXAGGSA-N 0 3 370.431 0.459 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2CCCCS2(=O)=O)c1 ZINC000583808371 491852368 /nfs/dbraw/zinc/85/23/68/491852368.db2.gz OVHYLLZLZOKIKZ-DZGCQCFKSA-N 0 3 358.416 0.891 20 5 FCBDHN COCCN1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596090739 491974939 /nfs/dbraw/zinc/97/49/39/491974939.db2.gz UVFZAQRFAZEXKT-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000596518434 491988288 /nfs/dbraw/zinc/98/82/88/491988288.db2.gz WRBKUPFWZSMNGT-UHFFFAOYSA-N 0 3 365.434 0.799 20 5 FCBDHN CN1CCN(C(=O)CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602528270 491991867 /nfs/dbraw/zinc/99/18/67/491991867.db2.gz OHJWROKMBOJEFA-UHFFFAOYSA-N 0 3 362.434 0.322 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597653286 492056746 /nfs/dbraw/zinc/05/67/46/492056746.db2.gz IWHVZHSTXFTMIC-GHMZBOCLSA-N 0 3 370.431 0.300 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598185354 492087935 /nfs/dbraw/zinc/08/79/35/492087935.db2.gz IOAISPYOOBUTFQ-UHFFFAOYSA-N 0 3 352.391 0.452 20 5 FCBDHN CC(C)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598569126 492105216 /nfs/dbraw/zinc/10/52/16/492105216.db2.gz ASSDOOQRMGWSNI-HNNXBMFYSA-N 0 3 363.418 0.850 20 5 FCBDHN Cc1c(CN)c(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1C ZINC000598668167 492112956 /nfs/dbraw/zinc/11/29/56/492112956.db2.gz LZKPDIZPHNGLNM-UHFFFAOYSA-N 0 3 361.362 0.856 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000608861441 492194821 /nfs/dbraw/zinc/19/48/21/492194821.db2.gz WQOOEQPHYZCTGB-LLVKDONJSA-N 0 3 350.379 0.181 20 5 FCBDHN NC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000609132856 492197984 /nfs/dbraw/zinc/19/79/84/492197984.db2.gz XAUTUBLDAJZONH-UHFFFAOYSA-N 0 3 361.402 0.438 20 5 FCBDHN COCCN1CCC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609280426 492203229 /nfs/dbraw/zinc/20/32/29/492203229.db2.gz OCNDGLCVNQBFBQ-AWEZNQCLSA-N 0 3 364.402 0.552 20 5 FCBDHN CN1CCC[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609387963 492207805 /nfs/dbraw/zinc/20/78/05/492207805.db2.gz UAXPIJVLJQJYLR-LLVKDONJSA-N 0 3 371.415 0.986 20 5 FCBDHN CN(C)[C@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609441945 492208534 /nfs/dbraw/zinc/20/85/34/492208534.db2.gz FOSNAUJOYSTUAR-HNNXBMFYSA-N 0 3 363.418 0.947 20 5 FCBDHN CN1CCN(CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000609951614 492228931 /nfs/dbraw/zinc/22/89/31/492228931.db2.gz QJJZEMRERAHBRH-UHFFFAOYSA-N 0 3 363.418 0.677 20 5 FCBDHN CN1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566844 492231910 /nfs/dbraw/zinc/23/19/10/492231910.db2.gz HTGRCAHHDBTXFU-KGLIPLIRSA-N 0 3 350.423 0.639 20 5 FCBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262952 492240564 /nfs/dbraw/zinc/24/05/64/492240564.db2.gz KVWARAQOKSODQY-UHFFFAOYSA-N 0 3 360.436 0.969 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000418936734 536952173 /nfs/dbraw/zinc/95/21/73/536952173.db2.gz KCXHWRWVYUNCAB-RISCZKNCSA-N 0 3 364.402 0.805 20 5 FCBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202579 546946042 /nfs/dbraw/zinc/94/60/42/546946042.db2.gz FWPMEEFNQSCUBI-RYUDHWBXSA-N 0 3 351.359 0.779 20 5 FCBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592195430 546946203 /nfs/dbraw/zinc/94/62/03/546946203.db2.gz KEWYHUIXXAUBBA-SMDDNHRTSA-N 0 3 351.359 0.779 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000592429182 546949202 /nfs/dbraw/zinc/94/92/02/546949202.db2.gz BJFGHTQIYRXHMB-TZMCWYRMSA-N 0 3 350.379 0.008 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000592466649 546950629 /nfs/dbraw/zinc/95/06/29/546950629.db2.gz VQCKSMLOOIDRNS-LLVKDONJSA-N 0 3 356.404 0.131 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592491459 546951534 /nfs/dbraw/zinc/95/15/34/546951534.db2.gz KHJQDGDJRHVMBV-CQSZACIVSA-N 0 3 350.375 0.679 20 5 FCBDHN C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592471092 546951628 /nfs/dbraw/zinc/95/16/28/546951628.db2.gz VCEINMNKYOHUMD-WCQYABFASA-N 0 3 370.431 0.459 20 5 FCBDHN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000594359994 546997591 /nfs/dbraw/zinc/99/75/91/546997591.db2.gz YIJVYVRNIPMHNG-NSHDSACASA-N 0 3 354.432 0.869 20 5 FCBDHN O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000826499272 607978260 /nfs/dbraw/zinc/97/82/60/607978260.db2.gz CAEMOXUXNDFZIS-GFCCVEGCSA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000826499272 607978261 /nfs/dbraw/zinc/97/82/61/607978261.db2.gz CAEMOXUXNDFZIS-GFCCVEGCSA-N 0 3 369.389 0.845 20 5 FCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226611 608438689 /nfs/dbraw/zinc/43/86/89/608438689.db2.gz CPBWTLVMUYJBHD-GHMZBOCLSA-N 0 3 350.408 0.652 20 5 FCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000826226611 608438691 /nfs/dbraw/zinc/43/86/91/608438691.db2.gz CPBWTLVMUYJBHD-GHMZBOCLSA-N 0 3 350.408 0.652 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809226 667509320 /nfs/dbraw/zinc/50/93/20/667509320.db2.gz BIVNZVOGAYJZGJ-CHWSQXEVSA-N 0 3 366.443 0.663 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818612601 668921532 /nfs/dbraw/zinc/92/15/32/668921532.db2.gz UZHAPLFHHQNYBL-ZDUSSCGKSA-N 0 3 350.375 0.150 20 5 FCBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000813103091 669827884 /nfs/dbraw/zinc/82/78/84/669827884.db2.gz NMQXRZCLYNDPTA-GFCCVEGCSA-N 0 3 372.399 0.838 20 5 FCBDHN Cc1cc(N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(N)n1 ZINC000817126570 669997306 /nfs/dbraw/zinc/99/73/06/669997306.db2.gz YIYBCCAQUYJUFO-UHFFFAOYSA-N 0 3 366.403 0.690 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccco1 ZINC001055501418 676021565 /nfs/dbraw/zinc/02/15/65/676021565.db2.gz XBKZOMNBSGZPTD-CHWSQXEVSA-N 0 3 350.375 0.255 20 5 FCBDHN CCC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055635631 676028888 /nfs/dbraw/zinc/02/88/88/676028888.db2.gz IWGBWBPFUOOOIY-ZIAGYGMSSA-N 0 3 352.435 0.539 20 5 FCBDHN CN(C)c1ccncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979757224 1186117031 /nfs/dbraw/zinc/11/70/31/1186117031.db2.gz QDAHUIKXCHIKQI-RTWAVKEYSA-N 0 3 361.402 0.437 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769701436 1200351388 /nfs/dbraw/zinc/35/13/88/1200351388.db2.gz OVCKPWADDBBCJZ-OAHLLOKOSA-N 0 3 363.418 0.850 20 5 FCBDHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813101577 1202990093 /nfs/dbraw/zinc/99/00/93/1202990093.db2.gz DPEPMKVMZTUFLI-HWPZZCPQSA-N 0 3 365.342 0.671 20 5 FCBDHN CCOC(=O)CNC(=O)CN[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176289 1206266165 /nfs/dbraw/zinc/26/61/65/1206266165.db2.gz FSKDNNJWFOVNHG-SNVBAGLBSA-N 0 3 371.365 0.942 20 5 FCBDHN NC(=O)[C@@](O)(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844052 1209522443 /nfs/dbraw/zinc/52/24/43/1209522443.db2.gz QENNTCZYHUPHGA-RDTXWAMCSA-N 0 3 371.397 0.849 20 5 FCBDHN Cn1nccc1[C@@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000856799577 1209729811 /nfs/dbraw/zinc/72/98/11/1209729811.db2.gz HSJXTWYVSZFTGD-HOCLYGCPSA-N 0 3 364.406 0.331 20 5 FCBDHN O=Cc1ccc(OCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712431 1209876137 /nfs/dbraw/zinc/87/61/37/1209876137.db2.gz OHNYURUKWJAVSS-UONOGXRCSA-N 0 3 363.370 0.454 20 5 FCBDHN O=Cc1ccc(OCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712429 1209876361 /nfs/dbraw/zinc/87/63/61/1209876361.db2.gz OHNYURUKWJAVSS-KBPBESRZSA-N 0 3 363.370 0.454 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197490 1211290255 /nfs/dbraw/zinc/29/02/55/1211290255.db2.gz OKRILMSKGCLGHA-KGLIPLIRSA-N 0 3 372.385 0.769 20 5 FCBDHN Cn1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546571773 1211437436 /nfs/dbraw/zinc/43/74/36/1211437436.db2.gz WKGFAKJASQIEKU-QGZVFWFLSA-N 0 3 359.386 0.792 20 5 FCBDHN O=C(c1cncc2nc[nH]c21)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000968999062 1212218933 /nfs/dbraw/zinc/21/89/33/1212218933.db2.gz VZIABYXAIRKHPW-FBKDDSFISA-N 0 3 370.369 0.439 20 5 FCBDHN CN1CCN(C(=O)CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000779473082 1212642121 /nfs/dbraw/zinc/64/21/21/1212642121.db2.gz CCUFXFJULNMIET-UHFFFAOYSA-N 0 3 361.446 0.881 20 5 FCBDHN COCc1nocc1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953926653 1213023851 /nfs/dbraw/zinc/02/38/51/1213023851.db2.gz AATNWHPYFPGBRA-BXUZGUMPSA-N 0 3 366.374 0.549 20 5 FCBDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n[nH]1 ZINC000959732036 1213522603 /nfs/dbraw/zinc/52/26/03/1213522603.db2.gz RXHJRFNSRQBESJ-WPLOAARJSA-N 0 3 361.402 0.883 20 5 FCBDHN O=C(c1cccc2c[nH]nc21)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961548288 1214222450 /nfs/dbraw/zinc/22/24/50/1214222450.db2.gz GDZXARKSFXZIQA-AYRXBEOTSA-N 0 3 369.381 0.759 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2nc3ccccc3c(=O)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139018 1214312633 /nfs/dbraw/zinc/31/26/33/1214312633.db2.gz MOOADXFQHVSLGO-BGOOENEXSA-N 0 3 357.370 0.737 20 5 FCBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn2cncc2c1 ZINC001067385979 1217390094 /nfs/dbraw/zinc/39/00/94/1217390094.db2.gz UZONZMPRBRDCCM-HUUCEWRRSA-N 0 3 359.386 0.920 20 5 FCBDHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866309 1222484450 /nfs/dbraw/zinc/48/44/50/1222484450.db2.gz XCSRRZXTKGYXSK-JQWIXIFHSA-N 0 3 369.349 0.918 20 5 FCBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866307 1222484506 /nfs/dbraw/zinc/48/45/06/1222484506.db2.gz XCSRRZXTKGYXSK-CMPLNLGQSA-N 0 3 369.349 0.918 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCN(C)CCO)c1 ZINC001155250894 1223030540 /nfs/dbraw/zinc/03/05/40/1223030540.db2.gz DTSMDDDCYMYUCE-UHFFFAOYSA-N 0 3 361.402 0.802 20 5 FCBDHN COC(=O)C(C(=O)OC)c1cc(-n2nc(CN)cc2C)ccc1[N+](=O)[O-] ZINC001163988675 1223235482 /nfs/dbraw/zinc/23/54/82/1223235482.db2.gz SRFOGUNIBKODLK-UHFFFAOYSA-N 0 3 362.342 0.977 20 5 FCBDHN O=C(CCc1c[nH]cn1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944961633 1247694887 /nfs/dbraw/zinc/69/48/87/1247694887.db2.gz CVBGFLSEFMJRCC-ZIAGYGMSSA-N 0 3 361.402 0.459 20 5 FCBDHN CN(C)c1ccncc1C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705478 1247961054 /nfs/dbraw/zinc/96/10/54/1247961054.db2.gz CBFGSYBPEDATDG-IUODEOHRSA-N 0 3 361.402 0.534 20 5 FCBDHN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn2cncc2c1 ZINC000946705837 1247964199 /nfs/dbraw/zinc/96/41/99/1247964199.db2.gz VKMJGFLKGBOLOA-HUUCEWRRSA-N 0 3 357.370 0.720 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001329491531 1265767912 /nfs/dbraw/zinc/76/79/12/1265767912.db2.gz UEFYICGSVMDYCQ-AWEZNQCLSA-N 0 3 368.365 0.899 20 5 FCBDHN CCn1nncc1CNCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034815669 1254006073 /nfs/dbraw/zinc/00/60/73/1254006073.db2.gz ANKNFMQFVNYTAU-HZPDHXFCSA-N 0 3 358.402 0.869 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001330004593 1265921874 /nfs/dbraw/zinc/92/18/74/1265921874.db2.gz YENINQDBOWFCCX-ZIAGYGMSSA-N 0 3 364.406 0.041 20 5 FCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[C@@H]1N1CCN(C)CC1 ZINC001320275446 1263780010 /nfs/dbraw/zinc/78/00/10/1263780010.db2.gz OFYGFWOSQHTIPP-DOMZBBRYSA-N 0 3 362.434 0.670 20 5 FCBDHN C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001324661059 1264686139 /nfs/dbraw/zinc/68/61/39/1264686139.db2.gz HATYJNFBPVULSS-JSGCOSHPSA-N 0 3 362.434 0.551 20 5 FCBDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001326571074 1265137148 /nfs/dbraw/zinc/13/71/48/1265137148.db2.gz DLOXVVSOFATVBU-UHFFFAOYSA-N 0 3 364.402 0.642 20 5 FCBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CCC[N+](=O)[O-])n1C ZINC001341332134 1268940573 /nfs/dbraw/zinc/94/05/73/1268940573.db2.gz QFMRROJTNRVLGH-ZDUSSCGKSA-N 0 3 352.439 0.714 20 5 FCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001580622491 1278573829 /nfs/dbraw/zinc/57/38/29/1278573829.db2.gz HEVXSZBVGCYTFX-SNVBAGLBSA-N 0 3 353.400 0.540 20 5 FCBDHN C[C@](N)(C(=O)N[C@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082304 1272852941 /nfs/dbraw/zinc/85/29/41/1272852941.db2.gz XBSLVHCZKAICBC-WMLDXEAASA-N 0 3 350.419 0.732 20 5 FCBDHN COc1cc(CCNC(=O)[C@H]2CNCCN2C)c([N+](=O)[O-])cc1OC ZINC001579149243 1276881809 /nfs/dbraw/zinc/88/18/09/1276881809.db2.gz RDIRABOUHUTMRE-CYBMUJFWSA-N 0 3 352.391 0.174 20 5 FCBDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590163389 1283257223 /nfs/dbraw/zinc/25/72/23/1283257223.db2.gz IPMHEEKMSQHGEZ-JTQLQIEISA-N 0 3 360.378 0.331 20 5 FCBDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590163389 1283257229 /nfs/dbraw/zinc/25/72/29/1283257229.db2.gz IPMHEEKMSQHGEZ-JTQLQIEISA-N 0 3 360.378 0.331 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593466456 1286170398 /nfs/dbraw/zinc/17/03/98/1286170398.db2.gz CNFMWDFCCGMLPH-OAHLLOKOSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593466456 1286170404 /nfs/dbraw/zinc/17/04/04/1286170404.db2.gz CNFMWDFCCGMLPH-OAHLLOKOSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593466456 1286170408 /nfs/dbraw/zinc/17/04/08/1286170408.db2.gz CNFMWDFCCGMLPH-OAHLLOKOSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593466456 1286170412 /nfs/dbraw/zinc/17/04/12/1286170412.db2.gz CNFMWDFCCGMLPH-OAHLLOKOSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593486241 1286175707 /nfs/dbraw/zinc/17/57/07/1286175707.db2.gz OSSMLQGMTNJEIX-UHFFFAOYSA-N 0 3 374.405 0.501 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593486241 1286175709 /nfs/dbraw/zinc/17/57/09/1286175709.db2.gz OSSMLQGMTNJEIX-UHFFFAOYSA-N 0 3 374.405 0.501 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593487032 1286176388 /nfs/dbraw/zinc/17/63/88/1286176388.db2.gz IMCSOCKPHLWZBO-CYBMUJFWSA-N 0 3 374.361 0.001 20 5 FCBDHN CC(C)(C)n1nnnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082734 842117913 /nfs/dbraw/zinc/11/79/13/842117913.db2.gz BUQNPEORCOIDHL-WRWGMCAJSA-N 0 3 351.411 0.078 20 5 FCBDHN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)S(=O)(=O)CCN ZINC001156231257 849897895 /nfs/dbraw/zinc/89/78/95/849897895.db2.gz BUNWGUMMDDDFBP-UHFFFAOYSA-N 0 3 366.783 0.545 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1OC ZINC001163251801 850361191 /nfs/dbraw/zinc/36/11/91/850361191.db2.gz CQUXRXCJQQLVLY-SWLSCSKDSA-N 0 3 350.331 0.380 20 5 FCBDHN CC[C@](N)(CO)NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694638 850734350 /nfs/dbraw/zinc/73/43/50/850734350.db2.gz YTROZRXLSSIHIE-OAHLLOKOSA-N 0 3 372.447 0.395 20 5 FCBDHN CCS(=O)(=O)CCCN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114438 856898171 /nfs/dbraw/zinc/89/81/71/856898171.db2.gz LLYMOICRKDNSQR-ZIAGYGMSSA-N 0 3 361.464 0.305 20 5 FCBDHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC001321547777 868510977 /nfs/dbraw/zinc/51/09/77/868510977.db2.gz WGVIRDQSWQLMDS-MRXNPFEDSA-N 0 3 366.443 0.765 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001326583355 870394773 /nfs/dbraw/zinc/39/47/73/870394773.db2.gz HKJJICNAFWOENQ-CQSZACIVSA-N 0 3 353.375 0.819 20 5 FCBDHN C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293994200 214216090 /nfs/dbraw/zinc/21/60/90/214216090.db2.gz YHWZQNDPHZNXCP-NSHDSACASA-N 0 3 358.420 0.187 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295140617 214278785 /nfs/dbraw/zinc/27/87/85/214278785.db2.gz DSGUBEYXAVTLRP-MRVPVSSYSA-N 0 3 367.343 0.552 20 5 FCBDHN CCC[NH2+][C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295243545 214285904 /nfs/dbraw/zinc/28/59/04/214285904.db2.gz SWDKDTSQYCDXNK-LLVKDONJSA-N 0 3 358.420 0.377 20 5 FCBDHN COCCN(C)CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296750139 214362090 /nfs/dbraw/zinc/36/20/90/214362090.db2.gz VVFMZQWNBXJLNS-UHFFFAOYSA-N 0 3 366.422 0.400 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000367205246 216090890 /nfs/dbraw/zinc/09/08/90/216090890.db2.gz HPVNXKPIRHVTAO-RYUDHWBXSA-N 0 3 352.313 0.932 20 5 FCBDHN CN(CC(=O)NC[C@@H]1C[C@H](F)CN1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000368371022 216239004 /nfs/dbraw/zinc/23/90/04/216239004.db2.gz SFQOVFXGEDNMFY-QWRGUYRKSA-N 0 3 374.394 0.032 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000373675071 217043747 /nfs/dbraw/zinc/04/37/47/217043747.db2.gz RGTSDYFLOLPJPS-RYUDHWBXSA-N 0 3 356.404 0.517 20 5 FCBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419362090 246117336 /nfs/dbraw/zinc/11/73/36/246117336.db2.gz YCIMROBBHAATRW-JTQLQIEISA-N 0 3 362.390 0.577 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N[C@H](CN)C2CC2)c([N+](=O)[O-])c1 ZINC000419456254 246171183 /nfs/dbraw/zinc/17/11/83/246171183.db2.gz RZRPIDMOHXVPKV-CQSZACIVSA-N 0 3 363.418 0.675 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@H](C)CN)c([N+](=O)[O-])c1 ZINC000419435689 246162140 /nfs/dbraw/zinc/16/21/40/246162140.db2.gz AMSHMLASGGSAOR-GFCCVEGCSA-N 0 3 351.407 0.627 20 5 FCBDHN Cc1c(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000419758275 246287636 /nfs/dbraw/zinc/28/76/36/246287636.db2.gz JVYROFXVLGNSFD-WCQYABFASA-N 0 3 364.402 0.749 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CN1C1CC1 ZINC000440930412 248224589 /nfs/dbraw/zinc/22/45/89/248224589.db2.gz UJLLQLDKYBTDIW-MNOVXSKESA-N 0 3 372.381 0.932 20 5 FCBDHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000441229519 248244496 /nfs/dbraw/zinc/24/44/96/248244496.db2.gz KTTMYZXPKZZPPJ-HOCLYGCPSA-N 0 3 368.386 0.580 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440499687 248191181 /nfs/dbraw/zinc/19/11/81/248191181.db2.gz BDKQDVVJSNQIDY-GOSISDBHSA-N 0 3 373.413 0.853 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000453804488 249369646 /nfs/dbraw/zinc/36/96/46/249369646.db2.gz HTRJEHZONIMEQY-CYBMUJFWSA-N 0 3 368.365 0.635 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270573108 211225058 /nfs/dbraw/zinc/22/50/58/211225058.db2.gz BVUVNACVQNTTPT-JKSUJKDBSA-N 0 3 373.413 0.791 20 5 FCBDHN CN(C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000471641304 250112428 /nfs/dbraw/zinc/11/24/28/250112428.db2.gz DDRIMDKJIJMEPL-UHFFFAOYSA-N 0 3 368.415 1.000 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000269972169 211131032 /nfs/dbraw/zinc/13/10/32/211131032.db2.gz ZYNYMRAHGVCCSQ-OAHLLOKOSA-N 0 3 370.431 0.215 20 5 FCBDHN CN1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472563347 250160354 /nfs/dbraw/zinc/16/03/54/250160354.db2.gz OFFOEFNALBKTDH-UHFFFAOYSA-N 0 3 367.381 0.426 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411904214 533003538 /nfs/dbraw/zinc/00/35/38/533003538.db2.gz AFIPQDCFAANTIM-CYBMUJFWSA-N 0 3 364.402 0.960 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1=O ZINC000074186763 208052673 /nfs/dbraw/zinc/05/26/73/208052673.db2.gz CVGBMWQXIHNSLM-ZDUSSCGKSA-N 0 3 363.418 0.533 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1=O ZINC000074186760 208052831 /nfs/dbraw/zinc/05/28/31/208052831.db2.gz CVGBMWQXIHNSLM-CYBMUJFWSA-N 0 3 363.418 0.533 20 5 FCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000090552323 208129883 /nfs/dbraw/zinc/12/98/83/208129883.db2.gz SQKJIGCHAPUYQF-UHFFFAOYSA-N 0 3 358.420 0.112 20 5 FCBDHN CCc1nn(C)c(N2CCN(C(=O)CN(CC)CC)CC2)c1[N+](=O)[O-] ZINC000094155481 208157876 /nfs/dbraw/zinc/15/78/76/208157876.db2.gz PBFLLGMCAWXLAD-UHFFFAOYSA-N 0 3 352.439 0.881 20 5 FCBDHN Cn1cc(CNCCNS(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102425090 208171277 /nfs/dbraw/zinc/17/12/77/208171277.db2.gz LILVCHHARKPSCD-UHFFFAOYSA-N 0 3 353.404 0.634 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000103449575 208177090 /nfs/dbraw/zinc/17/70/90/208177090.db2.gz FFTQTRPWULVIFM-UHFFFAOYSA-N 0 3 363.418 0.803 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000119810222 208368814 /nfs/dbraw/zinc/36/88/14/208368814.db2.gz ZODOLWHNSRNLNA-OAHLLOKOSA-N 0 3 359.386 0.327 20 5 FCBDHN COCCCN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000266492780 210345936 /nfs/dbraw/zinc/34/59/36/210345936.db2.gz JLMYJUDFJCRLLY-UHFFFAOYSA-N 0 3 352.391 0.409 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000247226723 229279672 /nfs/dbraw/zinc/27/96/72/229279672.db2.gz CZHKXQAXODUYRH-HOCLYGCPSA-N 0 3 353.423 0.196 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278696011 488890475 /nfs/dbraw/zinc/89/04/75/488890475.db2.gz NHVVVOCBDVFTEI-OAHLLOKOSA-N 0 3 350.379 0.583 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278695997 488890385 /nfs/dbraw/zinc/89/03/85/488890385.db2.gz NHVVVOCBDVFTEI-HNNXBMFYSA-N 0 3 350.379 0.583 20 5 FCBDHN C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057705643 488274311 /nfs/dbraw/zinc/27/43/11/488274311.db2.gz RMTLPHSJCLDWQK-LBPRGKRZSA-N 0 3 363.418 0.993 20 5 FCBDHN C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000057716014 488274371 /nfs/dbraw/zinc/27/43/71/488274371.db2.gz JLCSGDGPHALTFB-LLVKDONJSA-N 0 3 362.386 0.919 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067246181 488346226 /nfs/dbraw/zinc/34/62/26/488346226.db2.gz SLGZBNGJZHBCNP-UHFFFAOYSA-N 0 3 373.417 0.543 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467657 488365817 /nfs/dbraw/zinc/36/58/17/488365817.db2.gz XGJCGYZHZPIFSL-CYBMUJFWSA-N 0 3 352.439 0.490 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000076454071 488405199 /nfs/dbraw/zinc/40/51/99/488405199.db2.gz VKQNCOCYFSGYGO-AWEZNQCLSA-N 0 3 366.422 0.240 20 5 FCBDHN CC(=O)N1CCN(c2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000193716525 488429128 /nfs/dbraw/zinc/42/91/28/488429128.db2.gz GATMHNBMHZJPAH-UHFFFAOYSA-N 0 3 363.418 0.555 20 5 FCBDHN C[C@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000083028411 488446907 /nfs/dbraw/zinc/44/69/07/488446907.db2.gz YRBMABAJEMWTJY-KBPBESRZSA-N 0 3 366.418 0.762 20 5 FCBDHN CC(C)[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000269217028 488479661 /nfs/dbraw/zinc/47/96/61/488479661.db2.gz TWEQKYCGVWBLOM-AWEZNQCLSA-N 0 3 372.447 0.576 20 5 FCBDHN CCc1nn(C)c(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000094155321 488480496 /nfs/dbraw/zinc/48/04/96/488480496.db2.gz YVMVWOSRPXSWGS-UHFFFAOYSA-N 0 3 350.423 0.635 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249529094 488511742 /nfs/dbraw/zinc/51/17/42/488511742.db2.gz ZTBWNGUGMZJKBS-OFQRWUPVSA-N 0 3 353.419 0.721 20 5 FCBDHN CC(C)N(C)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000109310792 488522757 /nfs/dbraw/zinc/52/27/57/488522757.db2.gz SGFXVHDGUYTFOI-UHFFFAOYSA-N 0 3 372.447 0.867 20 5 FCBDHN Cn1ccnc1[C@H]1CNCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261689311 488530750 /nfs/dbraw/zinc/53/07/50/488530750.db2.gz IDLDWDGHVADMNE-CYBMUJFWSA-N 0 3 355.358 0.991 20 5 FCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000262196443 488556548 /nfs/dbraw/zinc/55/65/48/488556548.db2.gz MPRIFYHEHOAENY-UHFFFAOYSA-N 0 3 355.416 0.720 20 5 FCBDHN CS(=O)(=O)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCNCC1 ZINC000262204395 488556814 /nfs/dbraw/zinc/55/68/14/488556814.db2.gz NLJLJUXHURHNBE-UHFFFAOYSA-N 0 3 370.431 0.290 20 5 FCBDHN CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262234184 488558844 /nfs/dbraw/zinc/55/88/44/488558844.db2.gz PEENEVVGURMXHO-AWEZNQCLSA-N 0 3 370.431 0.555 20 5 FCBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262327052 488564326 /nfs/dbraw/zinc/56/43/26/488564326.db2.gz UHJPKJCTMPZOTR-YGRLFVJLSA-N 0 3 372.447 0.900 20 5 FCBDHN C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1=CCN(C)CC1 ZINC000272744163 488602786 /nfs/dbraw/zinc/60/27/86/488602786.db2.gz DBXFGUBDPWIZFY-NSHDSACASA-N 0 3 372.381 0.957 20 5 FCBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000272789501 488605944 /nfs/dbraw/zinc/60/59/44/488605944.db2.gz BVDCZCXQWAUAMI-RYUDHWBXSA-N 0 3 360.461 0.724 20 5 FCBDHN COCCN(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263741029 488623485 /nfs/dbraw/zinc/62/34/85/488623485.db2.gz INRDJTUOXCPKDD-UHFFFAOYSA-N 0 3 352.391 0.409 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000264750611 488706983 /nfs/dbraw/zinc/70/69/83/488706983.db2.gz JHYHVKVSFJSPSE-UHFFFAOYSA-N 0 3 374.401 0.399 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152586428 488719734 /nfs/dbraw/zinc/71/97/34/488719734.db2.gz MKKOAMKVWVRZAX-MRXNPFEDSA-N 0 3 360.414 0.902 20 5 FCBDHN Cc1c(C(=O)NC[C@@](C)(O)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000152628990 488721228 /nfs/dbraw/zinc/72/12/28/488721228.db2.gz QFOFVTTZEPSPDS-MRXNPFEDSA-N 0 3 362.390 0.526 20 5 FCBDHN CN(C)CCN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266999837 488751728 /nfs/dbraw/zinc/75/17/28/488751728.db2.gz CMLBXDGUGDZTDO-UHFFFAOYSA-N 0 3 373.435 0.076 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C[C@H](C)O)CC1 ZINC000275036247 488755524 /nfs/dbraw/zinc/75/55/24/488755524.db2.gz DTFJRZNACSCASU-ZDUSSCGKSA-N 0 3 366.418 0.930 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000267070988 488758568 /nfs/dbraw/zinc/75/85/68/488758568.db2.gz IBGPFLDNRUVJFZ-UHFFFAOYSA-N 0 3 360.374 0.362 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267240629 488771957 /nfs/dbraw/zinc/77/19/57/488771957.db2.gz IRGINEGFFDFUPJ-UHFFFAOYSA-N 0 3 363.418 0.707 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CN2CCOCC2)CC1 ZINC000159755992 488787462 /nfs/dbraw/zinc/78/74/62/488787462.db2.gz ZFRPCAJUYSVPIQ-UHFFFAOYSA-N 0 3 350.419 0.801 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000161384601 488796135 /nfs/dbraw/zinc/79/61/35/488796135.db2.gz UHANZNRCZARGKB-ZDUSSCGKSA-N 0 3 373.417 0.668 20 5 FCBDHN COc1ccc(OCCN(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000267646678 488809212 /nfs/dbraw/zinc/80/92/12/488809212.db2.gz WWOXUVKQZGTFDS-AWEZNQCLSA-N 0 3 369.418 0.607 20 5 FCBDHN CN(CCn1cc(Br)cn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000288779904 489014902 /nfs/dbraw/zinc/01/49/02/489014902.db2.gz KHFZQGYXNFYFEX-LBPRGKRZSA-N 0 3 373.211 0.743 20 5 FCBDHN C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000280935926 489042020 /nfs/dbraw/zinc/04/20/20/489042020.db2.gz KYCSPMKXLOYNFU-NSHDSACASA-N 0 3 370.431 0.472 20 5 FCBDHN C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000280935926 489042021 /nfs/dbraw/zinc/04/20/21/489042021.db2.gz KYCSPMKXLOYNFU-NSHDSACASA-N 0 3 370.431 0.472 20 5 FCBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000369781608 489275363 /nfs/dbraw/zinc/27/53/63/489275363.db2.gz HPAMGLLYZXYDOQ-RRFJBIMHSA-N 0 3 354.407 0.404 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000298275963 489310957 /nfs/dbraw/zinc/31/09/57/489310957.db2.gz NIQXZBDUVNXFHM-UHFFFAOYSA-N 0 3 350.375 0.497 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000563433036 491244829 /nfs/dbraw/zinc/24/48/29/491244829.db2.gz KAAHEEIGWFKIEY-RKDXNWHRSA-N 0 3 356.180 0.501 20 5 FCBDHN COCCN1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299231973 489421813 /nfs/dbraw/zinc/42/18/13/489421813.db2.gz DTZWUAHWJCPNSH-UHFFFAOYSA-N 0 3 364.402 0.552 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000563551476 491254814 /nfs/dbraw/zinc/25/48/14/491254814.db2.gz ZMSSTQHRBHVJCI-UONOGXRCSA-N 0 3 373.413 0.579 20 5 FCBDHN Nc1nc(NCCCN2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000299567894 489456738 /nfs/dbraw/zinc/45/67/38/489456738.db2.gz OXQMBEWDMHDPCF-UHFFFAOYSA-N 0 3 358.406 0.986 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359656 489480427 /nfs/dbraw/zinc/48/04/27/489480427.db2.gz KXGVFVVGOAYYDY-TZMCWYRMSA-N 0 3 364.450 0.978 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359656 489480429 /nfs/dbraw/zinc/48/04/29/489480429.db2.gz KXGVFVVGOAYYDY-TZMCWYRMSA-N 0 3 364.450 0.978 20 5 FCBDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414221764 489494391 /nfs/dbraw/zinc/49/43/91/489494391.db2.gz HYWJUOXTPIQCCS-LLVKDONJSA-N 0 3 372.399 0.966 20 5 FCBDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414233186 489494765 /nfs/dbraw/zinc/49/47/65/489494765.db2.gz XLVAAMFKCCNHTB-NSHDSACASA-N 0 3 372.399 0.966 20 5 FCBDHN CNc1nc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455973084 489603583 /nfs/dbraw/zinc/60/35/83/489603583.db2.gz PEWFYMRIQFESRC-GFCCVEGCSA-N 0 3 351.407 0.854 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000418806649 489732324 /nfs/dbraw/zinc/73/23/24/489732324.db2.gz JOZQHMUKBVEAOV-GFCCVEGCSA-N 0 3 354.794 0.760 20 5 FCBDHN [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000430398325 489735172 /nfs/dbraw/zinc/73/51/72/489735172.db2.gz YAEZOUPEHMNNLX-WDEREUQCSA-N 0 3 356.404 0.117 20 5 FCBDHN CCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489927007 489735841 /nfs/dbraw/zinc/73/58/41/489735841.db2.gz RQNGWYDWZDODJY-CQSZACIVSA-N 0 3 370.431 0.555 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474347162 489755530 /nfs/dbraw/zinc/75/55/30/489755530.db2.gz DMVZFCOXUXIHEG-GXTWGEPZSA-N 0 3 354.359 0.634 20 5 FCBDHN COC(=O)COc1ccc(CNC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000474378964 489758547 /nfs/dbraw/zinc/75/85/47/489758547.db2.gz QGNRZBWUVOJEAY-UHFFFAOYSA-N 0 3 354.359 0.778 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000433206290 489872520 /nfs/dbraw/zinc/87/25/20/489872520.db2.gz GTKHEVVFDAIIAB-BDJLRTHQSA-N 0 3 354.359 0.776 20 5 FCBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000420443055 489977108 /nfs/dbraw/zinc/97/71/08/489977108.db2.gz AAEMAYPICKYIDJ-VHSXEESVSA-N 0 3 357.388 0.772 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCCO1)OCCO2 ZINC000420448397 489978926 /nfs/dbraw/zinc/97/89/26/489978926.db2.gz DSZKHDSQGZBANV-JTQLQIEISA-N 0 3 373.387 0.023 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321717 490049031 /nfs/dbraw/zinc/04/90/31/490049031.db2.gz UKAAVDUVLWBCRF-UKRRQHHQSA-N 0 3 360.418 0.393 20 5 FCBDHN CN[C@@H](C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000519832820 490094415 /nfs/dbraw/zinc/09/44/15/490094415.db2.gz KBZKIAGZIRLOHH-NSHDSACASA-N 0 3 370.431 0.255 20 5 FCBDHN Cc1ccc(NCCCNC(=O)N2CCN(C)C[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000520547022 490160017 /nfs/dbraw/zinc/16/00/17/490160017.db2.gz LUQOBTSEOUCGNK-AWEZNQCLSA-N 0 3 364.450 0.990 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000533175487 490190026 /nfs/dbraw/zinc/19/00/26/490190026.db2.gz ZQGVCACEAQOUKG-GFCCVEGCSA-N 0 3 357.436 0.918 20 5 FCBDHN COCCN1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000521237177 490240334 /nfs/dbraw/zinc/24/03/34/490240334.db2.gz XQHZLXNHWPERSJ-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN CC1CC[NH+](C[C@@H](O)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000533553474 490255325 /nfs/dbraw/zinc/25/53/25/490255325.db2.gz RMJADSZCZYOXSP-LBPRGKRZSA-N 0 3 358.420 0.361 20 5 FCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000521676635 490289304 /nfs/dbraw/zinc/28/93/04/490289304.db2.gz CZRSHBGZUAVTKV-ZDUSSCGKSA-N 0 3 361.402 0.747 20 5 FCBDHN CN(C)CC1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000508650464 490344413 /nfs/dbraw/zinc/34/44/13/490344413.db2.gz JSIGMOVZBNFRAO-UHFFFAOYSA-N 0 3 362.386 0.921 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000522191781 490351900 /nfs/dbraw/zinc/35/19/00/490351900.db2.gz KAKZSILFINMUNA-LBPRGKRZSA-N 0 3 352.439 0.640 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000522599990 490387319 /nfs/dbraw/zinc/38/73/19/490387319.db2.gz ZMMPKXIGSJARNH-UHFFFAOYSA-N 0 3 374.357 0.900 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000411359743 490438348 /nfs/dbraw/zinc/43/83/48/490438348.db2.gz VMMDCBORZSBWFH-MRXNPFEDSA-N 0 3 350.375 0.333 20 5 FCBDHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000450560506 490473381 /nfs/dbraw/zinc/47/33/81/490473381.db2.gz PIRWFBXWPVMNPZ-NSHDSACASA-N 0 3 361.406 0.443 20 5 FCBDHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422829803 490481295 /nfs/dbraw/zinc/48/12/95/490481295.db2.gz UXRPJFXHLMTUSJ-PHIMTYICSA-N 0 3 356.404 0.082 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000571842936 491332493 /nfs/dbraw/zinc/33/24/93/491332493.db2.gz YZYAEDCBRFSCDP-UHFFFAOYSA-N 0 3 367.402 0.959 20 5 FCBDHN C[C@H]1CCN(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775991 490559498 /nfs/dbraw/zinc/55/94/98/490559498.db2.gz ICFDMIGTTDOXRT-LBPRGKRZSA-N 0 3 362.386 0.778 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000501040594 490572883 /nfs/dbraw/zinc/57/28/83/490572883.db2.gz KTCIKOCXCJQGKL-UHFFFAOYSA-N 0 3 373.417 0.665 20 5 FCBDHN C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000525184557 490582814 /nfs/dbraw/zinc/58/28/14/490582814.db2.gz VVPPZARMVWXGCZ-LBPRGKRZSA-N 0 3 357.436 0.152 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000501278290 490593206 /nfs/dbraw/zinc/59/32/06/490593206.db2.gz QUBQLOKGESLODD-LBPRGKRZSA-N 0 3 364.402 0.886 20 5 FCBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000501495817 490607984 /nfs/dbraw/zinc/60/79/84/490607984.db2.gz JYMLWPNIHMCACA-GFCCVEGCSA-N 0 3 363.374 0.882 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000525616192 490614718 /nfs/dbraw/zinc/61/47/18/490614718.db2.gz LCHFKSYDJZHKOJ-GHMZBOCLSA-N 0 3 360.370 0.790 20 5 FCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000537167320 490655813 /nfs/dbraw/zinc/65/58/13/490655813.db2.gz DDHJLNGMLSTGHO-MFKMUULPSA-N 0 3 369.403 0.150 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CCN2C1=O ZINC000515870644 490842322 /nfs/dbraw/zinc/84/23/22/490842322.db2.gz UTFKXORRTPOOSJ-GXFFZTMASA-N 0 3 355.354 0.527 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265164 491363916 /nfs/dbraw/zinc/36/39/16/491363916.db2.gz NYYTYQWAVBKQRN-ZWNOBZJWSA-N 0 3 350.375 0.440 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000517588331 490913677 /nfs/dbraw/zinc/91/36/77/490913677.db2.gz JMRJPZZLXKNCIG-YUTCNCBUSA-N 0 3 361.402 0.918 20 5 FCBDHN Cc1c(C(=O)NCCN2CC[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531297132 490950958 /nfs/dbraw/zinc/95/09/58/490950958.db2.gz UMGAFWVRRDQCRR-JTQLQIEISA-N 0 3 370.431 0.622 20 5 FCBDHN CN(C(=O)CN[C@H](CC(N)=O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000544455623 490969005 /nfs/dbraw/zinc/96/90/05/490969005.db2.gz TVHDBKNVXGXNOJ-OAHLLOKOSA-N 0 3 364.402 0.818 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000519570733 490977084 /nfs/dbraw/zinc/97/70/84/490977084.db2.gz LINIHWWEZAHQLM-MRXNPFEDSA-N 0 3 350.375 0.279 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554221862 491185788 /nfs/dbraw/zinc/18/57/88/491185788.db2.gz SKLHNMAMDLKOIY-UHFFFAOYSA-N 0 3 366.422 0.208 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000566438790 491443659 /nfs/dbraw/zinc/44/36/59/491443659.db2.gz PGXZZHQEPHMTSK-UHFFFAOYSA-N 0 3 365.390 0.577 20 5 FCBDHN CNc1nccc(C(=O)NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000566461923 491445750 /nfs/dbraw/zinc/44/57/50/491445750.db2.gz JSHOMNOGRHAPEW-UHFFFAOYSA-N 0 3 374.401 1.297 20 5 FCBDHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000574890421 491526168 /nfs/dbraw/zinc/52/61/68/491526168.db2.gz YUXZSVVPETZPET-NSHDSACASA-N 0 3 356.404 0.036 20 5 FCBDHN O=C(CNC1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560470247 491541015 /nfs/dbraw/zinc/54/10/15/491541015.db2.gz AYTBDXQEMZKFRG-UHFFFAOYSA-N 0 3 368.415 0.180 20 5 FCBDHN N[C@H]1C[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN2C1=O ZINC000568415300 491575606 /nfs/dbraw/zinc/57/56/06/491575606.db2.gz NVGVUORUHVMIKO-APPZFPTMSA-N 0 3 356.180 0.501 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000568783110 491609751 /nfs/dbraw/zinc/60/97/51/491609751.db2.gz MSLWVHRLOWGLMK-MWLCHTKSSA-N 0 3 374.806 0.181 20 5 FCBDHN CO[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000568985183 491624501 /nfs/dbraw/zinc/62/45/01/491624501.db2.gz JVSOQOWZZYQKSF-KGLIPLIRSA-N 0 3 357.432 0.807 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000579615200 491701831 /nfs/dbraw/zinc/70/18/31/491701831.db2.gz AIWZFQFAMZPLOV-ZYHUDNBSSA-N 0 3 367.793 0.431 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580845216 491748654 /nfs/dbraw/zinc/74/86/54/491748654.db2.gz VKARWFWTTROPON-CHWSQXEVSA-N 0 3 363.374 0.057 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588870160 491750695 /nfs/dbraw/zinc/75/06/95/491750695.db2.gz VFWYSNFUAGOSIZ-CQSZACIVSA-N 0 3 359.386 0.967 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000589112140 491755848 /nfs/dbraw/zinc/75/58/48/491755848.db2.gz CVJVWWGPJJLFJC-LBPRGKRZSA-N 0 3 370.431 0.401 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000581041767 491756924 /nfs/dbraw/zinc/75/69/24/491756924.db2.gz AWYHKPZONIYNMG-UHFFFAOYSA-N 0 3 374.401 1.493 20 5 FCBDHN CSC1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000589613119 491764249 /nfs/dbraw/zinc/76/42/49/491764249.db2.gz HQPQCLBHCLRVNJ-UHFFFAOYSA-N 0 3 356.452 0.918 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590369989 491774444 /nfs/dbraw/zinc/77/44/44/491774444.db2.gz QIHIYXJHSDFVJA-AWEZNQCLSA-N 0 3 350.419 0.850 20 5 FCBDHN C[C@H]1CCN(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000581834456 491786678 /nfs/dbraw/zinc/78/66/78/491786678.db2.gz PJRBECHITWLOJD-LBPRGKRZSA-N 0 3 358.402 1.408 20 5 FCBDHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000582323080 491807397 /nfs/dbraw/zinc/80/73/97/491807397.db2.gz LJMQNBLXFJSCTM-JTQLQIEISA-N 0 3 368.390 0.408 20 5 FCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000591685930 491818726 /nfs/dbraw/zinc/81/87/26/491818726.db2.gz AEWQCFJSANZAEH-DCAQKATOSA-N 0 3 354.338 0.609 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CCCCS2(=O)=O)c1 ZINC000583808374 491852276 /nfs/dbraw/zinc/85/22/76/491852276.db2.gz OVHYLLZLZOKIKZ-ZFWWWQNUSA-N 0 3 358.416 0.891 20 5 FCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000595119500 491885097 /nfs/dbraw/zinc/88/50/97/491885097.db2.gz CEPQXMMQDODGEK-UHFFFAOYSA-N 0 3 357.388 0.916 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCN1CCOCC1)CC1CC1 ZINC000595809524 491954807 /nfs/dbraw/zinc/95/48/07/491954807.db2.gz SJKAMTOWJSAGTQ-UHFFFAOYSA-N 0 3 350.419 0.801 20 5 FCBDHN Cc1c(CN)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000595959105 491965595 /nfs/dbraw/zinc/96/55/95/491965595.db2.gz AYSQXMHTRWWZME-UHFFFAOYSA-N 0 3 360.374 0.854 20 5 FCBDHN O=C1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CN1CCN1CCOCC1 ZINC000602594263 491993473 /nfs/dbraw/zinc/99/34/73/491993473.db2.gz PXAJESSFZKWMRI-MRXNPFEDSA-N 0 3 362.430 0.660 20 5 FCBDHN O=[N+]([O-])c1cnn(CCN(CCN2CCOCC2)[C@H]2CCSC2)c1 ZINC000602881232 492002440 /nfs/dbraw/zinc/00/24/40/492002440.db2.gz KNAYTIDWCSOKIJ-AWEZNQCLSA-N 0 3 355.464 0.931 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000597284111 492027194 /nfs/dbraw/zinc/02/71/94/492027194.db2.gz ZZYLSCYPQXOOEG-LLVKDONJSA-N 0 3 374.401 0.688 20 5 FCBDHN COc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000598183753 492087837 /nfs/dbraw/zinc/08/78/37/492087837.db2.gz AOVDQPPICVWDOH-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598184652 492087995 /nfs/dbraw/zinc/08/79/95/492087995.db2.gz GLYVTHTVMOZFHZ-UHFFFAOYSA-N 0 3 366.418 0.842 20 5 FCBDHN CN(C)[C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609441946 492208569 /nfs/dbraw/zinc/20/85/69/492208569.db2.gz FOSNAUJOYSTUAR-OAHLLOKOSA-N 0 3 363.418 0.947 20 5 FCBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000619483887 492265210 /nfs/dbraw/zinc/26/52/10/492265210.db2.gz XZECKDOJWLIFPI-UHFFFAOYSA-N 0 3 373.431 0.993 20 5 FCBDHN Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000161395110 534208499 /nfs/dbraw/zinc/20/84/99/534208499.db2.gz RWGRPFPOUYFCMX-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592471090 546951976 /nfs/dbraw/zinc/95/19/76/546951976.db2.gz VCEINMNKYOHUMD-AAEUAGOBSA-N 0 3 370.431 0.459 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544653 546953284 /nfs/dbraw/zinc/95/32/84/546953284.db2.gz FHXMAERKBCVVNV-NEPJUHHUSA-N 0 3 368.415 0.084 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000592555247 546954121 /nfs/dbraw/zinc/95/41/21/546954121.db2.gz PPDRGKGSJSTTFR-CYBMUJFWSA-N 0 3 368.415 0.131 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370598 599443631 /nfs/dbraw/zinc/44/36/31/599443631.db2.gz WJEQLQLUJLQEAM-UHFFFAOYSA-N 0 3 374.405 0.719 20 5 FCBDHN CC(C)Cc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983655578 664980033 /nfs/dbraw/zinc/98/00/33/664980033.db2.gz TVUBFPZKKMVXCK-FDYHWXHSSA-N 0 3 351.407 0.918 20 5 FCBDHN CN(C)C(=O)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549935 669107209 /nfs/dbraw/zinc/10/72/09/669107209.db2.gz RHUMGWMKBRWDOS-OCCSQVGLSA-N 0 3 355.395 0.705 20 5 FCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000813104270 669827568 /nfs/dbraw/zinc/82/75/68/669827568.db2.gz LFJNKKOAJBGQGC-SECBINFHSA-N 0 3 358.372 0.958 20 5 FCBDHN CC([C@H](OC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845880567 671045968 /nfs/dbraw/zinc/04/59/68/671045968.db2.gz IBIFCMBREDOQIJ-UFBFGSQYSA-N 0 3 351.294 0.466 20 5 FCBDHN Cc1nn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)n1C ZINC000847737309 671221170 /nfs/dbraw/zinc/22/11/70/671221170.db2.gz NELFEVLTLFLWAH-YMTOWFKASA-N 0 3 352.322 0.979 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000854467184 671580031 /nfs/dbraw/zinc/58/00/31/671580031.db2.gz RHYUNQBOHWVDSG-GFCCVEGCSA-N 0 3 352.391 0.084 20 5 FCBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H](CO)CN(C)C ZINC000854467312 671580106 /nfs/dbraw/zinc/58/01/06/671580106.db2.gz DRUXKXYQMGOOHV-SECBINFHSA-N 0 3 358.782 0.859 20 5 FCBDHN CC([C@H](OC(=O)CN1CC(=O)N(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000860855296 671921883 /nfs/dbraw/zinc/92/18/83/671921883.db2.gz WLJBDFIGIXWIBU-OTYXRUKQSA-N 0 3 353.306 0.969 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccoc1 ZINC001055516204 676022084 /nfs/dbraw/zinc/02/20/84/676022084.db2.gz XEZYHRVFOUJNPD-ZIAGYGMSSA-N 0 3 350.375 0.255 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011115390 675373517 /nfs/dbraw/zinc/37/35/17/675373517.db2.gz BECQXYHHJYXLPB-CHWSQXEVSA-N 0 3 366.443 0.759 20 5 FCBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119711375 675438519 /nfs/dbraw/zinc/43/85/19/675438519.db2.gz YYGXSGLQKBXFBD-UHFFFAOYSA-N 0 3 350.466 0.770 20 5 FCBDHN CN(CC1CCN(C(=O)CCc2c[nH]cn2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988554196 1192281247 /nfs/dbraw/zinc/28/12/47/1192281247.db2.gz IUZRDMOYZUDDBQ-HUUCEWRRSA-N 0 3 363.418 0.705 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2nc3ccccc3c(=O)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063848 1170549023 /nfs/dbraw/zinc/54/90/23/1170549023.db2.gz MOOADXFQHVSLGO-IQOUGMIPSA-N 0 3 357.370 0.737 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979217089 1186066036 /nfs/dbraw/zinc/06/60/36/1186066036.db2.gz XKRAONISMIKTAD-YXCITZCRSA-N 0 3 364.402 0.631 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552027454 1193891855 /nfs/dbraw/zinc/89/18/55/1193891855.db2.gz LAEVYMAVDHEJDZ-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218856502 1224241064 /nfs/dbraw/zinc/24/10/64/1224241064.db2.gz CKVWWYHVJXXLJM-QGZVFWFLSA-N 0 3 364.409 0.634 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000593908329 1196838894 /nfs/dbraw/zinc/83/88/94/1196838894.db2.gz MGLGSMBNMSZFFW-OAHLLOKOSA-N 0 3 359.386 0.866 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363242 1198326889 /nfs/dbraw/zinc/32/68/89/1198326889.db2.gz JGRQKOPLRAMRLE-QHSBEEBCSA-N 0 3 371.401 0.312 20 5 FCBDHN Cn1c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC001086363345 1198328104 /nfs/dbraw/zinc/32/81/04/1198328104.db2.gz OWARNARZZLVYCB-FMKGYKFTSA-N 0 3 362.434 0.732 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000747325405 1202727253 /nfs/dbraw/zinc/72/72/53/1202727253.db2.gz IUJWPRPLEHPCPN-UKRRQHHQSA-N 0 3 363.370 0.974 20 5 FCBDHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101531 1202990013 /nfs/dbraw/zinc/99/00/13/1202990013.db2.gz CYBAFLJTVJYXER-MRVPVSSYSA-N 0 3 360.334 0.073 20 5 FCBDHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813101578 1202990215 /nfs/dbraw/zinc/99/02/15/1202990215.db2.gz DPEPMKVMZTUFLI-MGPLVRAMSA-N 0 3 365.342 0.671 20 5 FCBDHN Cn1nccc1[C@@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000856799578 1209730021 /nfs/dbraw/zinc/73/00/21/1209730021.db2.gz HSJXTWYVSZFTGD-ZBFHGGJFSA-N 0 3 364.406 0.331 20 5 FCBDHN Cn1nccc1CN1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949092268 1212289115 /nfs/dbraw/zinc/28/91/15/1212289115.db2.gz ROZULTNOMCLIPL-HUUCEWRRSA-N 0 3 363.418 0.279 20 5 FCBDHN Cc1nccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952718741 1212972569 /nfs/dbraw/zinc/97/25/69/1212972569.db2.gz MQMVEXVTQBDDAD-LXTVHRRPSA-N 0 3 361.402 0.449 20 5 FCBDHN Cn1ncnc1CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001039485482 1214378359 /nfs/dbraw/zinc/37/83/59/1214378359.db2.gz AKZSEGHAEQYBHO-HUUCEWRRSA-N 0 3 362.434 0.683 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2occc2CN(C)C)C1 ZINC000967951485 1215266922 /nfs/dbraw/zinc/26/69/22/1215266922.db2.gz YJPOQGZPFKJWGS-ZIAGYGMSSA-N 0 3 364.402 0.679 20 5 FCBDHN CCC1(NC(=O)CCc2c[nH]cn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368577 1216787098 /nfs/dbraw/zinc/78/70/98/1216787098.db2.gz XYDBUJUHHMWMHB-ZIAGYGMSSA-N 0 3 363.418 0.895 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccccn1 ZINC001055496315 1219059758 /nfs/dbraw/zinc/05/97/58/1219059758.db2.gz GFKMFUZJENPUEY-UKRRQHHQSA-N 0 3 361.402 0.057 20 5 FCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001155397352 1223035092 /nfs/dbraw/zinc/03/50/92/1223035092.db2.gz IKNRLHRHWBIIFE-UHFFFAOYSA-N 0 3 361.362 0.863 20 5 FCBDHN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccn(C)n2)CC1 ZINC001162264189 1223212195 /nfs/dbraw/zinc/21/21/95/1223212195.db2.gz FNXORLBLPAOVSP-HUUCEWRRSA-N 0 3 365.434 0.430 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977064616 1248533920 /nfs/dbraw/zinc/53/39/20/1248533920.db2.gz JCOLLZBFWXYGMJ-RGDJUOJXSA-N 0 3 362.386 0.193 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001257297852 1260006139 /nfs/dbraw/zinc/00/61/39/1260006139.db2.gz AUHZCPMHVITEEZ-CYBMUJFWSA-N 0 3 366.418 0.809 20 5 FCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001327436107 1265320569 /nfs/dbraw/zinc/32/05/69/1265320569.db2.gz ILIATRRDBBGQGZ-CABCVRRESA-N 0 3 362.386 0.190 20 5 FCBDHN C[N@H+](CCCO)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591087506 1284159388 /nfs/dbraw/zinc/15/93/88/1284159388.db2.gz XBIWHIOWDZECIH-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@@H+](CCCO)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591087506 1284159394 /nfs/dbraw/zinc/15/93/94/1284159394.db2.gz XBIWHIOWDZECIH-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@H+](CCCO)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591087506 1284159397 /nfs/dbraw/zinc/15/93/97/1284159397.db2.gz XBIWHIOWDZECIH-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[N@@H+](CCCO)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591087506 1284159399 /nfs/dbraw/zinc/15/93/99/1284159399.db2.gz XBIWHIOWDZECIH-UHFFFAOYSA-N 0 3 362.394 0.453 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604682672 1287729488 /nfs/dbraw/zinc/72/94/88/1287729488.db2.gz JBKKNDDFWMCGSU-ARJAWSKDSA-N 0 3 374.405 0.811 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592720570 1285622465 /nfs/dbraw/zinc/62/24/65/1285622465.db2.gz NCNZAQBXGHRLGL-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592720570 1285622476 /nfs/dbraw/zinc/62/24/76/1285622476.db2.gz NCNZAQBXGHRLGL-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592720570 1285622483 /nfs/dbraw/zinc/62/24/83/1285622483.db2.gz NCNZAQBXGHRLGL-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592720570 1285622495 /nfs/dbraw/zinc/62/24/95/1285622495.db2.gz NCNZAQBXGHRLGL-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086011 1288653319 /nfs/dbraw/zinc/65/33/19/1288653319.db2.gz HCTCBCNFWDAVCT-OLZOCXBDSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086011 1288653322 /nfs/dbraw/zinc/65/33/22/1288653322.db2.gz HCTCBCNFWDAVCT-OLZOCXBDSA-N 0 3 360.378 0.205 20 5 FCBDHN CC(C)OCCN1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001755173786 1290641617 /nfs/dbraw/zinc/64/16/17/1290641617.db2.gz ARRBXGKSFLQOIA-HUUCEWRRSA-N 0 3 355.435 0.770 20 5 FCBDHN Cc1cc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001690057423 1294854028 /nfs/dbraw/zinc/85/40/28/1294854028.db2.gz ANLMVDLGDBXNON-HUUCEWRRSA-N 0 3 367.475 0.741 20 5 FCBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC001072725782 837743257 /nfs/dbraw/zinc/74/32/57/837743257.db2.gz RJVCNEMSKWOPFT-ZIAGYGMSSA-N 0 3 350.419 0.198 20 5 FCBDHN O=C(NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001079153942 839489307 /nfs/dbraw/zinc/48/93/07/839489307.db2.gz HVDZJPYHZLEMTO-HUUCEWRRSA-N 0 3 352.435 0.492 20 5 FCBDHN CCn1ncnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530629 846561590 /nfs/dbraw/zinc/56/15/90/846561590.db2.gz IEIHSBVZRFRWBO-CHWSQXEVSA-N 0 3 350.423 0.872 20 5 FCBDHN O=C(CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1nc2ccccc2s1 ZINC001126936207 848713880 /nfs/dbraw/zinc/71/38/80/848713880.db2.gz ANVGRDALRXPSIK-MWLCHTKSSA-N 0 3 363.399 0.606 20 5 FCBDHN CN(CC1CC1)C(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506259 849583051 /nfs/dbraw/zinc/58/30/51/849583051.db2.gz FCUZBYOOLSAXHA-ZIAGYGMSSA-N 0 3 350.419 0.054 20 5 FCBDHN CCCCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160096981 850154107 /nfs/dbraw/zinc/15/41/07/850154107.db2.gz DJZKJEGQRFQDAD-HUUCEWRRSA-N 0 3 352.435 0.706 20 5 FCBDHN C[C@H](Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170562340 850659508 /nfs/dbraw/zinc/65/95/08/850659508.db2.gz IJVPKMPQUQORLB-NKWVEPMBSA-N 0 3 365.799 0.231 20 5 FCBDHN CC(C)N(C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C)C ZINC001227252968 857153159 /nfs/dbraw/zinc/15/31/59/857153159.db2.gz UECJSHIHQPBKGV-HUUCEWRRSA-N 0 3 354.451 0.878 20 5 FCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=O)ncc1[C@@H]1CCCC(=O)C1 ZINC001231381082 857360463 /nfs/dbraw/zinc/36/04/63/857360463.db2.gz RHFIQBHXSFFIKF-DGCLKSJQSA-O 0 3 352.411 0.772 20 5 FCBDHN COc1cc(N2CCC(NS(=O)(=O)CCN)CC2)ccc1[N+](=O)[O-] ZINC001256085935 858053164 /nfs/dbraw/zinc/05/31/64/858053164.db2.gz SXPXWLGYXRASBJ-UHFFFAOYSA-N 0 3 358.420 0.450 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC001257377114 858143002 /nfs/dbraw/zinc/14/30/02/858143002.db2.gz CBTDUTBWXSRWTM-UHFFFAOYSA-N 0 3 350.375 0.430 20 5 FCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292292551 214091335 /nfs/dbraw/zinc/09/13/35/214091335.db2.gz UIDMCHHMYSGZRW-LBPRGKRZSA-N 0 3 370.431 0.889 20 5 FCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937968 210253507 /nfs/dbraw/zinc/25/35/07/210253507.db2.gz GNMNBGZCEJPSLH-WCQYABFASA-N 0 3 374.397 0.989 20 5 FCBDHN CCN1CCN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000265098503 210055312 /nfs/dbraw/zinc/05/53/12/210055312.db2.gz GMNJBUBDJCIBFN-UHFFFAOYSA-N 0 3 352.439 0.715 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264899523 210011462 /nfs/dbraw/zinc/01/14/62/210011462.db2.gz LHOKJAHDPFVQRB-UHFFFAOYSA-N 0 3 364.402 0.733 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000193989515 209321310 /nfs/dbraw/zinc/32/13/10/209321310.db2.gz UYAWYSZOUKNESV-UHFFFAOYSA-N 0 3 374.438 0.958 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000369116527 216351071 /nfs/dbraw/zinc/35/10/71/216351071.db2.gz LDERFXZPRXBDMJ-GJZGRUSLSA-N 0 3 372.385 0.769 20 5 FCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373760250 217055842 /nfs/dbraw/zinc/05/58/42/217055842.db2.gz VPCYGAIKBALTAS-GDBMZVCRSA-N 0 3 354.407 0.812 20 5 FCBDHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000183156050 209142990 /nfs/dbraw/zinc/14/29/90/209142990.db2.gz NQYYDDOZPWHXAK-LSDHHAIUSA-N 0 3 362.430 0.946 20 5 FCBDHN NC[C@H](NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000419342205 246105522 /nfs/dbraw/zinc/10/55/22/246105522.db2.gz AOBCEAAFVRINMN-AWEZNQCLSA-N 0 3 374.401 0.721 20 5 FCBDHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000423606479 247073250 /nfs/dbraw/zinc/07/32/50/247073250.db2.gz KJOMSHYMJNCVAL-GHMZBOCLSA-N 0 3 356.404 0.082 20 5 FCBDHN CC1(C)C[NH2+]CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423754269 247139995 /nfs/dbraw/zinc/13/99/95/247139995.db2.gz ZGONBPQHPJXVKN-CYBMUJFWSA-N 0 3 370.431 0.377 20 5 FCBDHN C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424007868 247160808 /nfs/dbraw/zinc/16/08/08/247160808.db2.gz VOMMFBOTQAMDDH-NEPJUHHUSA-N 0 3 370.431 0.316 20 5 FCBDHN Cc1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424392328 247205649 /nfs/dbraw/zinc/20/56/49/247205649.db2.gz PDQYWJKIGDABOI-UONOGXRCSA-N 0 3 365.415 0.752 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000438518862 248088373 /nfs/dbraw/zinc/08/83/73/248088373.db2.gz UWNIQNOHXCDAIG-UHFFFAOYSA-N 0 3 364.402 0.934 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440519855 248194238 /nfs/dbraw/zinc/19/42/38/248194238.db2.gz WYKCAZYZTCVMRJ-KRWDZBQOSA-N 0 3 359.386 0.545 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCOCCN(C)C ZINC000441832615 248263274 /nfs/dbraw/zinc/26/32/74/248263274.db2.gz IUPMZZFXOKZWOP-UHFFFAOYSA-N 0 3 352.391 0.845 20 5 FCBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446379473 248387657 /nfs/dbraw/zinc/38/76/57/248387657.db2.gz SNFUWGJLDBAGNC-VHSXEESVSA-N 0 3 356.379 0.641 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452366140 249312199 /nfs/dbraw/zinc/31/21/99/249312199.db2.gz OMAJXRBNLORNRW-LBPRGKRZSA-N 0 3 351.359 0.900 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453581719 249346580 /nfs/dbraw/zinc/34/65/80/249346580.db2.gz AVRLCNIZXBTCAJ-MRXNPFEDSA-N 0 3 351.359 0.905 20 5 FCBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701344 250000023 /nfs/dbraw/zinc/00/00/23/250000023.db2.gz MYICHVJVPWMXGR-MWLCHTKSSA-N 0 3 370.431 0.763 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916347 533007169 /nfs/dbraw/zinc/00/71/69/533007169.db2.gz MJVPQIPCOUJGGO-KGLIPLIRSA-N 0 3 367.402 0.371 20 5 FCBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc21 ZINC000058740290 208009181 /nfs/dbraw/zinc/00/91/81/208009181.db2.gz ZJGCBEJABOCYQZ-UHFFFAOYSA-N 0 3 374.357 0.900 20 5 FCBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266718044 210387882 /nfs/dbraw/zinc/38/78/82/210387882.db2.gz GRSHVYRDEODLEI-DGCLKSJQSA-N 0 3 357.411 0.997 20 5 FCBDHN COCCCN(C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000266158903 210293772 /nfs/dbraw/zinc/29/37/72/210293772.db2.gz NXESQINFNCXFPA-CYBMUJFWSA-N 0 3 366.418 0.798 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411904215 533487729 /nfs/dbraw/zinc/48/77/29/533487729.db2.gz AFIPQDCFAANTIM-ZDUSSCGKSA-N 0 3 364.402 0.960 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161399993 229199534 /nfs/dbraw/zinc/19/95/34/229199534.db2.gz JVDDCFVFQNWMHG-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN CC(C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000538819665 484472673 /nfs/dbraw/zinc/47/26/73/484472673.db2.gz MMHWBUFMQRLNDN-VIFPVBQESA-N 0 3 367.387 0.499 20 5 FCBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301552266 488881516 /nfs/dbraw/zinc/88/15/16/488881516.db2.gz VSUOYMPBEXGYMT-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN CN1CCC(O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278689694 488890221 /nfs/dbraw/zinc/89/02/21/488890221.db2.gz MSYDYIRIZQCEFN-UHFFFAOYSA-N 0 3 362.390 0.727 20 5 FCBDHN COCCN(C)CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041423261 487827823 /nfs/dbraw/zinc/82/78/23/487827823.db2.gz PDXJIJZOSPMNBF-UHFFFAOYSA-N 0 3 366.418 0.799 20 5 FCBDHN COCCN(C)CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000063744370 488307604 /nfs/dbraw/zinc/30/76/04/488307604.db2.gz XQXZINHYUJWMLL-UHFFFAOYSA-N 0 3 352.391 0.409 20 5 FCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000268214808 488397365 /nfs/dbraw/zinc/39/73/65/488397365.db2.gz PIMNVVUTUSFVKE-GXFFZTMASA-N 0 3 372.381 0.790 20 5 FCBDHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000269036428 488464082 /nfs/dbraw/zinc/46/40/82/488464082.db2.gz AXFRZZXEOSGCLF-ZDUSSCGKSA-N 0 3 370.431 0.473 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248827896 488503443 /nfs/dbraw/zinc/50/34/43/488503443.db2.gz HDJOWKNSSQITJM-ILXRZTDVSA-N 0 3 353.419 0.721 20 5 FCBDHN O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1F ZINC000563010555 491207588 /nfs/dbraw/zinc/20/75/88/491207588.db2.gz FRGBJPDTMRNHEK-WCQYABFASA-N 0 3 363.349 0.686 20 5 FCBDHN O=C1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1F ZINC000563010553 491207854 /nfs/dbraw/zinc/20/78/54/491207854.db2.gz FRGBJPDTMRNHEK-AAEUAGOBSA-N 0 3 363.349 0.686 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000109910495 488523893 /nfs/dbraw/zinc/52/38/93/488523893.db2.gz LPGCHYVHPOYURU-CQSZACIVSA-N 0 3 353.423 0.699 20 5 FCBDHN CC(C)C[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262113765 488551305 /nfs/dbraw/zinc/55/13/05/488551305.db2.gz HYXIPTQZVPZMOH-ZDUSSCGKSA-N 0 3 358.420 0.363 20 5 FCBDHN CCC[C@@](C)(N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262172480 488555167 /nfs/dbraw/zinc/55/51/67/488555167.db2.gz XKQJUOUTTCVPGR-CQSZACIVSA-N 0 3 358.420 0.507 20 5 FCBDHN C[C@H](NC(=O)C1(S(C)(=O)=O)CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000262273054 488560626 /nfs/dbraw/zinc/56/06/26/488560626.db2.gz WBJNOQRDYXEXQE-NSHDSACASA-N 0 3 355.416 0.939 20 5 FCBDHN CCC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000121712222 488570470 /nfs/dbraw/zinc/57/04/70/488570470.db2.gz VJQXGVPKYSGORV-ZBFHGGJFSA-N 0 3 355.439 0.585 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272379998 488577136 /nfs/dbraw/zinc/57/71/36/488577136.db2.gz FNGHVAGMDSMQIE-AWEZNQCLSA-N 0 3 363.418 0.850 20 5 FCBDHN C[C@H](Cn1cccn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000122296110 488577287 /nfs/dbraw/zinc/57/72/87/488577287.db2.gz FWPCMTDWNAQXCQ-GFCCVEGCSA-N 0 3 353.404 0.748 20 5 FCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000272551608 488588460 /nfs/dbraw/zinc/58/84/60/488588460.db2.gz KRDZJKOWMIKPAE-NWDGAFQWSA-N 0 3 370.431 0.424 20 5 FCBDHN C[C@H]1NCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000262821754 488595298 /nfs/dbraw/zinc/59/52/98/488595298.db2.gz SQENJPQASBWBRM-NXEZZACHSA-N 0 3 352.416 0.995 20 5 FCBDHN CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000272789498 488605843 /nfs/dbraw/zinc/60/58/43/488605843.db2.gz BVDCZCXQWAUAMI-NWDGAFQWSA-N 0 3 360.461 0.724 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263272647 488608361 /nfs/dbraw/zinc/60/83/61/488608361.db2.gz XGRSPLKEBBJYMO-INIZCTEOSA-N 0 3 363.418 0.343 20 5 FCBDHN COCCN1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273464368 488652950 /nfs/dbraw/zinc/65/29/50/488652950.db2.gz RAXXACWTKSYCMV-ZDUSSCGKSA-N 0 3 357.432 0.679 20 5 FCBDHN CCN(CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000264236301 488657331 /nfs/dbraw/zinc/65/73/31/488657331.db2.gz XPCRPBIPUSDIJI-UHFFFAOYSA-N 0 3 360.370 0.791 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133381244 488659573 /nfs/dbraw/zinc/65/95/73/488659573.db2.gz JUFXGEGFSCNGBB-CQSZACIVSA-N 0 3 366.466 0.880 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000136118748 488676620 /nfs/dbraw/zinc/67/66/20/488676620.db2.gz UZKMPMIMWNXMGB-UHFFFAOYSA-N 0 3 374.401 0.752 20 5 FCBDHN CC(C)OCCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151638575 488707855 /nfs/dbraw/zinc/70/78/55/488707855.db2.gz QZVDNKDTNVWEAP-UHFFFAOYSA-N 0 3 368.438 0.980 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563083283 491214402 /nfs/dbraw/zinc/21/44/02/491214402.db2.gz FITUTYVLDJWJBT-ZYHUDNBSSA-N 0 3 351.363 0.283 20 5 FCBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000274587612 488721527 /nfs/dbraw/zinc/72/15/27/488721527.db2.gz UKMVAYGYYKSBFQ-UHFFFAOYSA-N 0 3 366.418 0.475 20 5 FCBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCC1 ZINC000155158889 488752344 /nfs/dbraw/zinc/75/23/44/488752344.db2.gz QWRHQJZOCWMXFS-AWEZNQCLSA-N 0 3 353.423 0.827 20 5 FCBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCC1 ZINC000155158999 488752476 /nfs/dbraw/zinc/75/24/76/488752476.db2.gz QWRHQJZOCWMXFS-CQSZACIVSA-N 0 3 353.423 0.827 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000267130759 488763836 /nfs/dbraw/zinc/76/38/36/488763836.db2.gz FLGJLYROWOMQSC-ZDUSSCGKSA-N 0 3 364.402 0.886 20 5 FCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000171340989 488822461 /nfs/dbraw/zinc/82/24/61/488822461.db2.gz KXFCDHNCTSSWTM-UHFFFAOYSA-N 0 3 361.402 0.678 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(CC2CCOCC2)CC1 ZINC000179216260 488861066 /nfs/dbraw/zinc/86/10/66/488861066.db2.gz NZDFSKSSKLWOKA-UHFFFAOYSA-N 0 3 350.419 0.801 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000288563929 488992698 /nfs/dbraw/zinc/99/26/98/488992698.db2.gz KBRPJBFPDLMYAG-NSHDSACASA-N 0 3 369.374 0.551 20 5 FCBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1(C)C ZINC000281710851 489100024 /nfs/dbraw/zinc/10/00/24/489100024.db2.gz URFSYWSGZNSVOO-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000282494604 489169361 /nfs/dbraw/zinc/16/93/61/489169361.db2.gz MURBWYWBKHQGAT-UHFFFAOYSA-N 0 3 368.365 0.554 20 5 FCBDHN CN1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282551409 489173991 /nfs/dbraw/zinc/17/39/91/489173991.db2.gz YXPHSTBCEDGGCC-UHFFFAOYSA-N 0 3 363.418 0.676 20 5 FCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563443044 491247255 /nfs/dbraw/zinc/24/72/55/491247255.db2.gz VMIWQYKKZMMQEV-BXKDBHETSA-N 0 3 350.400 0.701 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000370357351 489349326 /nfs/dbraw/zinc/34/93/26/489349326.db2.gz KPRZKBRGEZLKIU-VYDXJSESSA-N 0 3 365.430 0.866 20 5 FCBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000286428008 489390204 /nfs/dbraw/zinc/39/02/04/489390204.db2.gz NLWABXNJECPDQV-LBPRGKRZSA-N 0 3 372.447 0.978 20 5 FCBDHN C[C@@H](CN(C)C)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000286553183 489403423 /nfs/dbraw/zinc/40/34/23/489403423.db2.gz WJYDMBGHWIOUMN-LBPRGKRZSA-N 0 3 373.479 0.797 20 5 FCBDHN C[C@H]1CCN[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000423098837 489493550 /nfs/dbraw/zinc/49/35/50/489493550.db2.gz SPAWZGQQBFNTJW-SMDDNHRTSA-N 0 3 370.431 0.377 20 5 FCBDHN CC(C)[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423213172 489503311 /nfs/dbraw/zinc/50/33/11/489503311.db2.gz KZFWQVNFPWFTFN-FZMZJTMJSA-N 0 3 372.447 0.609 20 5 FCBDHN CN(C)C1(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000416292074 489578067 /nfs/dbraw/zinc/57/80/67/489578067.db2.gz QLJCOWXHVXPALS-UHFFFAOYSA-N 0 3 352.416 0.996 20 5 FCBDHN CNc1nc(C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455666960 489598315 /nfs/dbraw/zinc/59/83/15/489598315.db2.gz QHSFPSUUEVRKNH-LBPRGKRZSA-N 0 3 350.423 0.645 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1F ZINC000570836742 491268250 /nfs/dbraw/zinc/26/82/50/491268250.db2.gz KWTUCFKMAQMJFN-JSGCOSHPSA-N 0 3 363.349 0.686 20 5 FCBDHN Cc1c(NC(=O)CCN(C)CC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000430611002 489753957 /nfs/dbraw/zinc/75/39/57/489753957.db2.gz NBPWFGKOAACVGF-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N[C@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000418951547 489802842 /nfs/dbraw/zinc/80/28/42/489802842.db2.gz UMTJZTLZCAXMLY-LBPRGKRZSA-N 0 3 352.391 0.709 20 5 FCBDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000418954052 489803739 /nfs/dbraw/zinc/80/37/39/489803739.db2.gz XAXKBQHXOVYONJ-GFCCVEGCSA-N 0 3 352.391 0.853 20 5 FCBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000431938365 489824159 /nfs/dbraw/zinc/82/41/59/489824159.db2.gz NZYULBNSGWUISY-DZKIICNBSA-N 0 3 364.406 0.622 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042025 489831275 /nfs/dbraw/zinc/83/12/75/489831275.db2.gz OSFNCCNQNCTEQR-AAEUAGOBSA-N 0 3 364.402 0.483 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000432533631 489846148 /nfs/dbraw/zinc/84/61/48/489846148.db2.gz FPIUJBSSYJSRSP-UHFFFAOYSA-N 0 3 350.419 0.715 20 5 FCBDHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494754467 489911224 /nfs/dbraw/zinc/91/12/24/489911224.db2.gz YIMGCXXURQKCED-AWEZNQCLSA-N 0 3 370.431 0.937 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000571179579 491290653 /nfs/dbraw/zinc/29/06/53/491290653.db2.gz SRTBTGRIIVCBSO-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000520100161 490112209 /nfs/dbraw/zinc/11/22/09/490112209.db2.gz GACODTCVNQLQCX-UHFFFAOYSA-N 0 3 359.390 0.885 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000479737917 490119642 /nfs/dbraw/zinc/11/96/42/490119642.db2.gz ABTIVPYENFSGQV-GFCCVEGCSA-N 0 3 362.386 0.686 20 5 FCBDHN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422032323 490131237 /nfs/dbraw/zinc/13/12/37/490131237.db2.gz FGKFNRLBVDXVOJ-LBPRGKRZSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422032323 490131242 /nfs/dbraw/zinc/13/12/42/490131242.db2.gz FGKFNRLBVDXVOJ-LBPRGKRZSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(CCO)C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497531834 490172509 /nfs/dbraw/zinc/17/25/09/490172509.db2.gz CUIYOYXZRCJYBL-UHFFFAOYSA-N 0 3 357.432 0.891 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408025258 490212816 /nfs/dbraw/zinc/21/28/16/490212816.db2.gz PTDMGHDDJCKVHF-QGZVFWFLSA-N 0 3 359.430 0.633 20 5 FCBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466951371 490233454 /nfs/dbraw/zinc/23/34/54/490233454.db2.gz MZXMZRZSSHBMOF-LLVKDONJSA-N 0 3 365.390 0.935 20 5 FCBDHN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CN2CCN1CCC2 ZINC000534272983 490338438 /nfs/dbraw/zinc/33/84/38/490338438.db2.gz PPXXFVICPFBWEZ-CYBMUJFWSA-N 0 3 357.374 0.708 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000571754889 491326944 /nfs/dbraw/zinc/32/69/44/491326944.db2.gz QGLUCUDSFBZDCU-IOASZLSFSA-N 0 3 367.402 0.560 20 5 FCBDHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000571776732 491328388 /nfs/dbraw/zinc/32/83/88/491328388.db2.gz KIMBKDRBDRGFMQ-MNOVXSKESA-N 0 3 367.793 0.431 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000499977876 490475408 /nfs/dbraw/zinc/47/54/08/490475408.db2.gz LIFPFZMSFBNPKL-UHFFFAOYSA-N 0 3 363.418 0.850 20 5 FCBDHN C[C@@](C[NH3+])(NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422832016 490482980 /nfs/dbraw/zinc/48/29/80/490482980.db2.gz UIEYDPCFLKQANP-AWEZNQCLSA-N 0 3 356.404 0.117 20 5 FCBDHN CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450776788 490488206 /nfs/dbraw/zinc/48/82/06/490488206.db2.gz ILPIGVVZUMWEKV-XHDPSFHLSA-N 0 3 354.432 0.985 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000564848168 491331125 /nfs/dbraw/zinc/33/11/25/491331125.db2.gz DEGPPEVSRZJPLV-CQSZACIVSA-N 0 3 366.399 0.272 20 5 FCBDHN C[C@@H](C[C@@H]1COCCN1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034870 490525807 /nfs/dbraw/zinc/52/58/07/490525807.db2.gz IRABTKKMBUPLEJ-QWHCGFSZSA-N 0 3 357.432 0.725 20 5 FCBDHN COc1cc(OCC(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000524648603 490548957 /nfs/dbraw/zinc/54/89/57/490548957.db2.gz AULDBQDBHITPKY-UHFFFAOYSA-N 0 3 366.418 0.736 20 5 FCBDHN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCN(C)C ZINC000556903545 491343146 /nfs/dbraw/zinc/34/31/46/491343146.db2.gz NTOSTAWKWZXTMN-JTQLQIEISA-N 0 3 366.374 0.162 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000526344189 490680020 /nfs/dbraw/zinc/68/00/20/490680020.db2.gz WMQAKVPUSPNPLE-UHFFFAOYSA-N 0 3 372.447 0.519 20 5 FCBDHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000502144081 490681790 /nfs/dbraw/zinc/68/17/90/490681790.db2.gz RKECQLNHZGVCQP-OLZOCXBDSA-N 0 3 360.461 0.724 20 5 FCBDHN CN(CCN1CCCC1)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502828205 490723177 /nfs/dbraw/zinc/72/31/77/490723177.db2.gz PTQBMXCFGNJBCS-UHFFFAOYSA-N 0 3 374.401 0.642 20 5 FCBDHN C[C@H]1CN(C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488714252 490773061 /nfs/dbraw/zinc/77/30/61/490773061.db2.gz UCJIPURLLCRZPX-AWEZNQCLSA-N 0 3 350.419 0.942 20 5 FCBDHN CS(=O)(=O)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000515553812 490831549 /nfs/dbraw/zinc/83/15/49/490831549.db2.gz WEIXVWCWIWAZNG-OAHLLOKOSA-N 0 3 368.415 0.487 20 5 FCBDHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000505888690 490843446 /nfs/dbraw/zinc/84/34/46/490843446.db2.gz AOZNBIPLYYZJMK-VXGBXAGGSA-N 0 3 370.431 0.472 20 5 FCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565237975 491363430 /nfs/dbraw/zinc/36/34/30/491363430.db2.gz DZSCHUJCUJOWPY-STQMWFEESA-N 0 3 368.415 0.144 20 5 FCBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000543063195 490921492 /nfs/dbraw/zinc/92/14/92/490921492.db2.gz LZOCUCOTWGMUCB-NSHDSACASA-N 0 3 366.399 0.755 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000518030897 490928530 /nfs/dbraw/zinc/92/85/30/490928530.db2.gz YZVPPEORYOAJCF-ZDUSSCGKSA-N 0 3 364.402 0.886 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000519017444 490959230 /nfs/dbraw/zinc/95/92/30/490959230.db2.gz JUIQADHURGRVDZ-LBPRGKRZSA-N 0 3 364.402 0.934 20 5 FCBDHN CN1CCN(C(=O)CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572993345 491406339 /nfs/dbraw/zinc/40/63/39/491406339.db2.gz ZPAXODAWZOWYTO-HNNXBMFYSA-N 0 3 366.418 0.088 20 5 FCBDHN O=C(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000566106085 491417596 /nfs/dbraw/zinc/41/75/96/491417596.db2.gz GMSSJJYJYXQJQO-CQSZACIVSA-N 0 3 353.375 0.173 20 5 FCBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000573358436 491428462 /nfs/dbraw/zinc/42/84/62/491428462.db2.gz ONABVMLHURXACF-CQSZACIVSA-N 0 3 360.370 0.749 20 5 FCBDHN CS(=O)(=O)C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCNCC1 ZINC000566287906 491433044 /nfs/dbraw/zinc/43/30/44/491433044.db2.gz UHJUYCSDPSPFBL-UHFFFAOYSA-N 0 3 353.400 0.651 20 5 FCBDHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573685039 491448488 /nfs/dbraw/zinc/44/84/88/491448488.db2.gz ZEBSCJCEOBJLIX-NEPJUHHUSA-N 0 3 370.431 0.507 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000566572304 491454056 /nfs/dbraw/zinc/45/40/56/491454056.db2.gz QUFWEUJNKWCAKV-OAHLLOKOSA-N 0 3 362.386 0.758 20 5 FCBDHN CC(C)[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566855471 491471430 /nfs/dbraw/zinc/47/14/30/491471430.db2.gz GTBXMTAXVWFTMN-UHFFFAOYSA-N 0 3 358.420 0.377 20 5 FCBDHN CCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000574771435 491519289 /nfs/dbraw/zinc/51/92/89/491519289.db2.gz WJGWMKQTSJLKOI-AAEUAGOBSA-N 0 3 368.415 0.090 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000575315967 491548268 /nfs/dbraw/zinc/54/82/68/491548268.db2.gz HCLBVRQFSDUXIW-UHFFFAOYSA-N 0 3 356.404 0.131 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000568501618 491581007 /nfs/dbraw/zinc/58/10/07/491581007.db2.gz UDCBFVHUMXQPKE-GFCCVEGCSA-N 0 3 370.431 0.937 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1CCCCS1(=O)=O ZINC000577385440 491617500 /nfs/dbraw/zinc/61/75/00/491617500.db2.gz LBLMBVOPBDCXPQ-STQMWFEESA-N 0 3 358.416 0.891 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccc(F)cc1 ZINC000569095863 491633114 /nfs/dbraw/zinc/63/31/14/491633114.db2.gz MQCQOIFINUUMBG-HUUCEWRRSA-N 0 3 363.349 0.686 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000576755516 491642116 /nfs/dbraw/zinc/64/21/16/491642116.db2.gz OICNMALHPUGHER-GJZGRUSLSA-N 0 3 353.419 0.771 20 5 FCBDHN CC1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000576989811 491662880 /nfs/dbraw/zinc/66/28/80/491662880.db2.gz WTFCDLDGIFBIBX-UHFFFAOYSA-N 0 3 370.431 0.379 20 5 FCBDHN COc1ccc(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000579610663 491701598 /nfs/dbraw/zinc/70/15/98/491701598.db2.gz AVEIIDXQEPSQMF-NSHDSACASA-N 0 3 352.391 0.328 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000587979622 491736279 /nfs/dbraw/zinc/73/62/79/491736279.db2.gz VFSHLYSLYYHHKS-CYBMUJFWSA-N 0 3 363.418 0.993 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580845221 491748720 /nfs/dbraw/zinc/74/87/20/491748720.db2.gz VKARWFWTTROPON-OLZOCXBDSA-N 0 3 363.374 0.057 20 5 FCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000588882379 491750952 /nfs/dbraw/zinc/75/09/52/491750952.db2.gz XTMXYIBAZCZXKF-NSHDSACASA-N 0 3 354.363 0.097 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccnc2N2CCOCC2)c1 ZINC000584226587 491861070 /nfs/dbraw/zinc/86/10/70/491861070.db2.gz AFOVSLAAHBEWQR-OAHLLOKOSA-N 0 3 362.390 0.174 20 5 FCBDHN COC(=O)CCN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000594896102 491871324 /nfs/dbraw/zinc/87/13/24/491871324.db2.gz RECIVMVLBAQJFE-GFCCVEGCSA-N 0 3 356.356 0.533 20 5 FCBDHN NC(=O)C1(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000595729957 491950368 /nfs/dbraw/zinc/95/03/68/491950368.db2.gz XPSDVHFUQBSQQE-UHFFFAOYSA-N 0 3 364.358 0.517 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(N)=O)CCOCC1 ZINC000595729005 491950415 /nfs/dbraw/zinc/95/04/15/491950415.db2.gz POKGIQHSMFNXGV-UHFFFAOYSA-N 0 3 366.374 0.556 20 5 FCBDHN Cc1c(CN)c(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000595963052 491966251 /nfs/dbraw/zinc/96/62/51/491966251.db2.gz YOVGOZZTGJZXFC-VIFPVBQESA-N 0 3 360.374 0.852 20 5 FCBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000596074395 491974653 /nfs/dbraw/zinc/97/46/53/491974653.db2.gz UTPFTTPEEZJBPQ-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN CCN1CCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000596074101 491974664 /nfs/dbraw/zinc/97/46/64/491974664.db2.gz RCJDHCARBMOMLE-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN O=[N+]([O-])c1cnn(CCN(CCN2CCOCC2)[C@@H]2CCSC2)c1 ZINC000602881233 492002567 /nfs/dbraw/zinc/00/25/67/492002567.db2.gz KNAYTIDWCSOKIJ-CQSZACIVSA-N 0 3 355.464 0.931 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000603610893 492038798 /nfs/dbraw/zinc/03/87/98/492038798.db2.gz ICDLDDYZGRZSOP-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000597701907 492060527 /nfs/dbraw/zinc/06/05/27/492060527.db2.gz XDMMLAMFMATYBZ-RYUDHWBXSA-N 0 3 370.431 0.424 20 5 FCBDHN [NH3+][C@]12CCC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598669926 492112746 /nfs/dbraw/zinc/11/27/46/492112746.db2.gz NVUCXCGGPYLUNX-NHYWBVRUSA-N 0 3 368.415 0.213 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598900506 492121040 /nfs/dbraw/zinc/12/10/40/492121040.db2.gz QVOYZKKKDZRCRB-OAHLLOKOSA-N 0 3 353.379 0.145 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609382295 492207350 /nfs/dbraw/zinc/20/73/50/492207350.db2.gz AHYCQVHCPBKHNJ-GFCCVEGCSA-N 0 3 372.381 0.791 20 5 FCBDHN COc1cc(OCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938388 492219113 /nfs/dbraw/zinc/21/91/13/492219113.db2.gz OHAUWXXSWNGZRX-OLZOCXBDSA-N 0 3 365.386 0.650 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])n1 ZINC000610939697 492270647 /nfs/dbraw/zinc/27/06/47/492270647.db2.gz WAZOHVWGGRDCAQ-UHFFFAOYSA-N 0 3 366.403 0.717 20 5 FCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611100928 492278349 /nfs/dbraw/zinc/27/83/49/492278349.db2.gz WLNNYKRWNUVHOI-ZDUSSCGKSA-N 0 3 362.390 0.007 20 5 FCBDHN CC(C)N1CCN(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000611176980 492280751 /nfs/dbraw/zinc/28/07/51/492280751.db2.gz QFIMXWOCRYIVQG-UHFFFAOYSA-N 0 3 364.450 0.808 20 5 FCBDHN CCOc1cc(NC(=O)C(=O)N[C@H](C)CN)c([N+](=O)[O-])cc1OCC ZINC000415601118 535678275 /nfs/dbraw/zinc/67/82/75/535678275.db2.gz PLZTWZVBTKRQFO-SECBINFHSA-N 0 3 354.363 0.794 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449662939 535809471 /nfs/dbraw/zinc/80/94/71/535809471.db2.gz HUKKYPCGLSFTGR-NXEZZACHSA-N 0 3 360.365 0.941 20 5 FCBDHN CCNC(=O)N1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591754271 546940194 /nfs/dbraw/zinc/94/01/94/546940194.db2.gz FURBXTQBSIYHLI-STQMWFEESA-N 0 3 352.391 0.728 20 5 FCBDHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1C ZINC000552083013 547324735 /nfs/dbraw/zinc/32/47/35/547324735.db2.gz NTOMFKPFZGJROE-LLVKDONJSA-N 0 3 352.391 0.708 20 5 FCBDHN CS(=O)(=O)NC1CC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619748014 547341220 /nfs/dbraw/zinc/34/12/20/547341220.db2.gz QWBRFUXESZIZOJ-UHFFFAOYSA-N 0 3 357.388 0.536 20 5 FCBDHN CCN(Cc1cnn(C)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713080 674551333 /nfs/dbraw/zinc/55/13/33/674551333.db2.gz KVHAAVXUTXVCLX-HUUCEWRRSA-N 0 3 350.423 0.541 20 5 FCBDHN C[NH+](C)CCN1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821587267 607167097 /nfs/dbraw/zinc/16/70/97/607167097.db2.gz OCISORDJQXMICB-UHFFFAOYSA-N 0 3 361.410 0.608 20 5 FCBDHN CCOc1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000983657162 664980348 /nfs/dbraw/zinc/98/03/48/664980348.db2.gz IQENTTNFKGLQAR-GWOFURMSSA-N 0 3 355.420 0.586 20 5 FCBDHN CCn1nnc(C)c1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005374662 667738805 /nfs/dbraw/zinc/73/88/05/667738805.db2.gz HHOQHFKEKQADHQ-ZIAGYGMSSA-N 0 3 350.423 0.694 20 5 FCBDHN NC(=O)NC(=O)OCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769660455 668147323 /nfs/dbraw/zinc/14/73/23/668147323.db2.gz PGMAFIXYSQGABC-JTQLQIEISA-N 0 3 352.351 0.671 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801207 668732410 /nfs/dbraw/zinc/73/24/10/668732410.db2.gz QCQMAPNXRUGXFT-YPMHNXCESA-N 0 3 356.404 0.517 20 5 FCBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000786868038 668779594 /nfs/dbraw/zinc/77/95/94/668779594.db2.gz IJYCQRZRVYSZTF-NSHDSACASA-N 0 3 362.477 0.961 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920811 669365911 /nfs/dbraw/zinc/36/59/11/669365911.db2.gz DEZNMHYZUYJZOS-UHFFFAOYSA-N 0 3 352.395 0.661 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825888282 669473103 /nfs/dbraw/zinc/47/31/03/669473103.db2.gz WAUGCJOJFHEAQV-CZUORRHYSA-N 0 3 350.419 0.770 20 5 FCBDHN C[N@@H+]1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809830854 669642407 /nfs/dbraw/zinc/64/24/07/669642407.db2.gz GNKPJHWOMNJBMW-LBPRGKRZSA-N 0 3 367.786 0.732 20 5 FCBDHN C[N@H+]1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809830854 669642409 /nfs/dbraw/zinc/64/24/09/669642409.db2.gz GNKPJHWOMNJBMW-LBPRGKRZSA-N 0 3 367.786 0.732 20 5 FCBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CNCCO2)c(C)c1[N+](=O)[O-] ZINC000842483956 670694618 /nfs/dbraw/zinc/69/46/18/670694618.db2.gz YSSKJJMPPLAAOY-JTQLQIEISA-N 0 3 374.375 0.387 20 5 FCBDHN COc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)sn1 ZINC001048813142 675898274 /nfs/dbraw/zinc/89/82/74/675898274.db2.gz BAAOUWDOGGXBKP-LYIQGSDWSA-N 0 3 352.416 0.707 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000854467185 671580095 /nfs/dbraw/zinc/58/00/95/671580095.db2.gz RHYUNQBOHWVDSG-LBPRGKRZSA-N 0 3 352.391 0.084 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2nnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063968 1170551572 /nfs/dbraw/zinc/55/15/72/1170551572.db2.gz RFVMAKKAKZUIDW-ZMJPVWNMSA-N 0 3 357.374 0.064 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552027453 1193891804 /nfs/dbraw/zinc/89/18/04/1193891804.db2.gz LAEVYMAVDHEJDZ-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN CC(=O)N1CCN(CCOc2ccc(CCNCC[N+](=O)[O-])cc2)CC1 ZINC000905096429 1195576146 /nfs/dbraw/zinc/57/61/46/1195576146.db2.gz JHVHLNCGRJZLNJ-UHFFFAOYSA-N 0 3 364.446 0.638 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2ncnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083465 1198144378 /nfs/dbraw/zinc/14/43/78/1198144378.db2.gz ZGWCBNFUVJHDPG-OCVGTWLNSA-N 0 3 370.413 0.917 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nc(-c3ccoc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363409 1198327369 /nfs/dbraw/zinc/32/73/69/1198327369.db2.gz RZCAGDNFRATITD-OJAKKHQRSA-N 0 3 361.358 0.979 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786863959 1200855775 /nfs/dbraw/zinc/85/57/75/1200855775.db2.gz AFCGRUAVOJPQDD-HNNXBMFYSA-N 0 3 361.402 0.731 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(CNCC3=CCCCC3)nn2)C1 ZINC001093319181 1206075392 /nfs/dbraw/zinc/07/53/92/1206075392.db2.gz ZTCRHTNEZBCWNN-HZPDHXFCSA-N 0 3 360.418 0.917 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585936 1209541643 /nfs/dbraw/zinc/54/16/43/1209541643.db2.gz DVJOZEUIJVJROS-IAGOWNOFSA-N 0 3 362.430 0.867 20 5 FCBDHN O=C(NC1CCN(C(=O)c2ccn3cncc3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000947576750 1212046263 /nfs/dbraw/zinc/04/62/63/1212046263.db2.gz ARHNUQXPOSUGBM-HUUCEWRRSA-N 0 3 357.370 0.720 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(CCn1cccn1)CCO2 ZINC000949365821 1212363877 /nfs/dbraw/zinc/36/38/77/1212363877.db2.gz HVBKZMNOPGDLRI-HUUCEWRRSA-N 0 3 363.418 0.242 20 5 FCBDHN Cc1cncn1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010657036 1213807035 /nfs/dbraw/zinc/80/70/35/1213807035.db2.gz ODUXOQVFUHAZAC-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN O=C(CCc1c[nH]cn1)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010705847 1213810593 /nfs/dbraw/zinc/81/05/93/1213810593.db2.gz CDMQNEILLPZSLU-ZIAGYGMSSA-N 0 3 361.402 0.459 20 5 FCBDHN O=C(c1ccn2cncc2c1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961551768 1214224853 /nfs/dbraw/zinc/22/48/53/1214224853.db2.gz VBFCSIXSBCBURN-OCVGTWLNSA-N 0 3 369.381 0.530 20 5 FCBDHN Cn1c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc2c1=O ZINC001020139061 1214312125 /nfs/dbraw/zinc/31/21/25/1214312125.db2.gz OWUDMSNXPMKAPL-NLRBGTRBSA-N 0 3 371.397 0.336 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2nncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139621 1214313589 /nfs/dbraw/zinc/31/35/89/1214313589.db2.gz IFUHZSJMJPHEQU-QHSBEEBCSA-N 0 3 356.386 0.669 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2ncnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139868 1214313675 /nfs/dbraw/zinc/31/36/75/1214313675.db2.gz QAGOFNPJWUXAJH-QHSBEEBCSA-N 0 3 356.386 0.669 20 5 FCBDHN COCc1noc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000963787205 1214850817 /nfs/dbraw/zinc/85/08/17/1214850817.db2.gz IAJIXDGYTJOAAJ-ZVHXASMASA-N 0 3 365.390 0.398 20 5 FCBDHN Cc1cncn1CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963978392 1214881522 /nfs/dbraw/zinc/88/15/22/1214881522.db2.gz CRZOCHASAORNKR-KBUPBQIOSA-N 0 3 363.418 0.648 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn3cncc3c2)C1 ZINC000967950029 1215266143 /nfs/dbraw/zinc/26/61/43/1215266143.db2.gz NMYSKWKBHRMHFT-HUUCEWRRSA-N 0 3 357.370 0.672 20 5 FCBDHN CC1CCN(C(=O)CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001045436323 1217927698 /nfs/dbraw/zinc/92/76/98/1217927698.db2.gz PWIDTDWGYCPPIE-HUUCEWRRSA-N 0 3 366.462 0.881 20 5 FCBDHN Cc1cocc1C(=O)NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575509 1219084512 /nfs/dbraw/zinc/08/45/12/1219084512.db2.gz FWOPTDPCCYWMRM-UKRRQHHQSA-N 0 3 364.402 0.564 20 5 FCBDHN CN1CCN(Cc2cccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC001115974899 1221328497 /nfs/dbraw/zinc/32/84/97/1221328497.db2.gz BQUKUIVSYDUFQE-UHFFFAOYSA-N 0 3 372.429 0.855 20 5 FCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001117269927 1221500749 /nfs/dbraw/zinc/50/07/49/1221500749.db2.gz YGUPQFUSXREGKC-HNNXBMFYSA-N 0 3 360.414 0.854 20 5 FCBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866311 1222484647 /nfs/dbraw/zinc/48/46/47/1222484647.db2.gz XCSRRZXTKGYXSK-PWSUYJOCSA-N 0 3 369.349 0.918 20 5 FCBDHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccnn2C)CC1 ZINC001151121677 1222916687 /nfs/dbraw/zinc/91/66/87/1222916687.db2.gz QIBNVWJZRCTUSA-HUUCEWRRSA-N 0 3 365.434 0.573 20 5 FCBDHN NC1(C(=O)NCc2ccccc2)CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161522559 1223203572 /nfs/dbraw/zinc/20/35/72/1223203572.db2.gz UTWXUPLCPKQPGK-UHFFFAOYSA-N 0 3 371.397 0.842 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000064334055 1245301465 /nfs/dbraw/zinc/30/14/65/1245301465.db2.gz OKRILMSKGCLGHA-UONOGXRCSA-N 0 3 372.385 0.769 20 5 FCBDHN CCc1nnc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589130 1247904903 /nfs/dbraw/zinc/90/49/03/1247904903.db2.gz HWMJITQKOLTIBL-XJFOESAGSA-N 0 3 363.418 0.968 20 5 FCBDHN Cc1nccn1CCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989295 1254288728 /nfs/dbraw/zinc/28/87/28/1254288728.db2.gz YHAGCYYAYWLFTA-ZIAGYGMSSA-N 0 3 363.418 0.792 20 5 FCBDHN CCN(C(=O)CCCn1ccnc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080095495 1255740046 /nfs/dbraw/zinc/74/00/46/1255740046.db2.gz QMMFTBYOIHVJEY-HUUCEWRRSA-N 0 3 363.418 0.696 20 5 FCBDHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC(N[C@H]2CCOC2)C1 ZINC001304086636 1263128642 /nfs/dbraw/zinc/12/86/42/1263128642.db2.gz ZEEOCFJPYONPSG-LBPRGKRZSA-N 0 3 358.358 0.378 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318318097 1263563345 /nfs/dbraw/zinc/56/33/45/1263563345.db2.gz WCBURQHAJPYAAK-LBPRGKRZSA-N 0 3 364.406 0.191 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001319730632 1263724915 /nfs/dbraw/zinc/72/49/15/1263724915.db2.gz VBORNFULBUXTKU-JSGCOSHPSA-N 0 3 364.450 0.735 20 5 FCBDHN CN1CCN(Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)CC1 ZINC001320359819 1263788902 /nfs/dbraw/zinc/78/89/02/1263788902.db2.gz MXGDJNFZPZFXDI-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN COCCN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001321680618 1264033190 /nfs/dbraw/zinc/03/31/90/1264033190.db2.gz IVFRJALUVNNZBN-UHFFFAOYSA-N 0 3 364.402 0.438 20 5 FCBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281573 1264610654 /nfs/dbraw/zinc/61/06/54/1264610654.db2.gz VTDFJTMXXWLXNT-QWHCGFSZSA-N 0 3 366.422 0.144 20 5 FCBDHN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001324661060 1264685952 /nfs/dbraw/zinc/68/59/52/1264685952.db2.gz HATYJNFBPVULSS-OCCSQVGLSA-N 0 3 362.434 0.551 20 5 FCBDHN Cn1c(-c2cnc(N)c([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1 ZINC001343757419 1270002904 /nfs/dbraw/zinc/00/29/04/1270002904.db2.gz UWRNTTBJGRSJLE-UHFFFAOYSA-N 0 3 358.406 0.900 20 5 FCBDHN C[C@@](N)(C(=O)N[C@@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082300 1272853637 /nfs/dbraw/zinc/85/36/37/1272853637.db2.gz XBSLVHCZKAICBC-PBHICJAKSA-N 0 3 350.419 0.732 20 5 FCBDHN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCCc1c[nH]nn1 ZINC001576816405 1273735727 /nfs/dbraw/zinc/73/57/27/1273735727.db2.gz QUCFECAPNVOMSI-CHWSQXEVSA-N 0 3 352.395 0.100 20 5 FCBDHN CC(C)(CN1CCOCC1)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589278618 1282826925 /nfs/dbraw/zinc/82/69/25/1282826925.db2.gz SOTFSOYQXNXTOY-UHFFFAOYSA-N 0 3 361.406 0.975 20 5 FCBDHN CC(C)(CN1CCOCC1)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589278618 1282826929 /nfs/dbraw/zinc/82/69/29/1282826929.db2.gz SOTFSOYQXNXTOY-UHFFFAOYSA-N 0 3 361.406 0.975 20 5 FCBDHN C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cn1 ZINC001591021683 1284077693 /nfs/dbraw/zinc/07/76/93/1284077693.db2.gz WQZZBIPAVIFCEI-UHFFFAOYSA-N 0 3 358.366 0.859 20 5 FCBDHN C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cn1 ZINC001591021683 1284077703 /nfs/dbraw/zinc/07/77/03/1284077703.db2.gz WQZZBIPAVIFCEI-UHFFFAOYSA-N 0 3 358.366 0.859 20 5 FCBDHN C[N@H+](CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CCOCCO ZINC001591106116 1284179336 /nfs/dbraw/zinc/17/93/36/1284179336.db2.gz SKUMVJSSXJNJQJ-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN C[N@@H+](CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CCOCCO ZINC001591106116 1284179340 /nfs/dbraw/zinc/17/93/40/1284179340.db2.gz SKUMVJSSXJNJQJ-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591177248 1284273246 /nfs/dbraw/zinc/27/32/46/1284273246.db2.gz YGAPRGHTVVQSHW-VIFPVBQESA-N 0 3 367.391 0.005 20 5 FCBDHN C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591177248 1284273256 /nfs/dbraw/zinc/27/32/56/1284273256.db2.gz YGAPRGHTVVQSHW-VIFPVBQESA-N 0 3 367.391 0.005 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284365 1289046284 /nfs/dbraw/zinc/04/62/84/1289046284.db2.gz MJOASXITRYNYTH-CYBMUJFWSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284365 1289046291 /nfs/dbraw/zinc/04/62/91/1289046291.db2.gz MJOASXITRYNYTH-CYBMUJFWSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284365 1289046298 /nfs/dbraw/zinc/04/62/98/1289046298.db2.gz MJOASXITRYNYTH-CYBMUJFWSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284365 1289046304 /nfs/dbraw/zinc/04/63/04/1289046304.db2.gz MJOASXITRYNYTH-CYBMUJFWSA-N 0 3 373.421 0.386 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCNc2ncccc2-c2nnn[n-]2)c1 ZINC001593483503 1286173621 /nfs/dbraw/zinc/17/36/21/1286173621.db2.gz RMOJVRLEUIKBJK-CQSZACIVSA-N 0 3 370.373 0.905 20 5 FCBDHN O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCNc2ncccc2-c2nn[n-]n2)c1 ZINC001593483503 1286173625 /nfs/dbraw/zinc/17/36/25/1286173625.db2.gz RMOJVRLEUIKBJK-CQSZACIVSA-N 0 3 370.373 0.905 20 5 FCBDHN C[N@@H+]1CCN(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001604866232 1287804353 /nfs/dbraw/zinc/80/43/53/1287804353.db2.gz IQENVYPSOQOSOU-UHFFFAOYSA-N 0 3 361.410 0.608 20 5 FCBDHN C[N@H+]1CCN(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001604866232 1287804355 /nfs/dbraw/zinc/80/43/55/1287804355.db2.gz IQENVYPSOQOSOU-UHFFFAOYSA-N 0 3 361.410 0.608 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001607083452 1288652660 /nfs/dbraw/zinc/65/26/60/1288652660.db2.gz GURXNVJXDACJAV-LBPRGKRZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001607083452 1288652665 /nfs/dbraw/zinc/65/26/65/1288652665.db2.gz GURXNVJXDACJAV-LBPRGKRZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001607083452 1288652668 /nfs/dbraw/zinc/65/26/68/1288652668.db2.gz GURXNVJXDACJAV-LBPRGKRZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001607083452 1288652671 /nfs/dbraw/zinc/65/26/71/1288652671.db2.gz GURXNVJXDACJAV-LBPRGKRZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC001609600577 1289258035 /nfs/dbraw/zinc/25/80/35/1289258035.db2.gz RHTIVFLBJRANGR-UHFFFAOYSA-N 0 3 353.346 0.892 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC001609600577 1289258039 /nfs/dbraw/zinc/25/80/39/1289258039.db2.gz RHTIVFLBJRANGR-UHFFFAOYSA-N 0 3 353.346 0.892 20 5 FCBDHN CCOC(=O)c1nc(Cl)nc(N2CCOC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC001154961937 849824303 /nfs/dbraw/zinc/82/43/03/849824303.db2.gz PQBAQNBXXGGKBY-SECBINFHSA-N 0 3 373.797 0.982 20 5 FCBDHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020226 850602261 /nfs/dbraw/zinc/60/22/61/850602261.db2.gz KKNVPAPOPDOWAP-OLZOCXBDSA-N 0 3 371.463 0.583 20 5 FCBDHN O=C(CCO)CNC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694536 850733233 /nfs/dbraw/zinc/73/32/33/850733233.db2.gz UNJRBGZHXMSIJF-UHFFFAOYSA-N 0 3 371.415 0.289 20 5 FCBDHN COCc1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458596 850900603 /nfs/dbraw/zinc/90/06/03/850900603.db2.gz NMIGJLISDBATHO-VXGBXAGGSA-N 0 3 355.395 0.647 20 5 FCBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC001233620134 857388020 /nfs/dbraw/zinc/38/80/20/857388020.db2.gz LFGPPLBMCLICQZ-UHFFFAOYSA-N 0 3 359.404 0.732 20 5 FCBDHN NC(=O)COC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001252679120 857832822 /nfs/dbraw/zinc/83/28/22/857832822.db2.gz QZFMDOIGEFLMKJ-CYBMUJFWSA-N 0 3 353.375 0.301 20 5 FCBDHN CN(C)S(=O)(=O)c1ccc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122213 866645541 /nfs/dbraw/zinc/64/55/41/866645541.db2.gz ILPIGVVZUMWEKV-ABAIWWIYSA-N 0 3 354.432 0.985 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnc(N3CCOCC3)s2)c1 ZINC001336703160 874026905 /nfs/dbraw/zinc/02/69/05/874026905.db2.gz HTPLYZSRCDFVOK-LBPRGKRZSA-N 0 3 368.419 0.235 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265949069 210255431 /nfs/dbraw/zinc/25/54/31/210255431.db2.gz LSRLPFDZIITXNG-UHFFFAOYSA-N 0 3 366.418 0.979 20 5 FCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)N(C)C ZINC000294569873 214253504 /nfs/dbraw/zinc/25/35/04/214253504.db2.gz ZVWWBBVYKYCRFY-VIFPVBQESA-N 0 3 365.419 0.949 20 5 FCBDHN C[C@H](NC1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296346894 214344269 /nfs/dbraw/zinc/34/42/69/214344269.db2.gz IULTUWADHQPGAK-JTQLQIEISA-N 0 3 356.404 0.130 20 5 FCBDHN Cc1cc(F)c(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000297187381 214385229 /nfs/dbraw/zinc/38/52/29/214385229.db2.gz ALKYPNRVVQRHFT-LLVKDONJSA-N 0 3 368.365 0.770 20 5 FCBDHN C[C@H]1CN(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889872 215374850 /nfs/dbraw/zinc/37/48/50/215374850.db2.gz WBERQHGAROLFNH-XJKSGUPXSA-N 0 3 353.423 0.337 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504559 215396020 /nfs/dbraw/zinc/39/60/20/215396020.db2.gz VQCPXYXZBRCXJS-ZIAGYGMSSA-N 0 3 351.407 0.778 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367045218 216069250 /nfs/dbraw/zinc/06/92/50/216069250.db2.gz JWELLTUWVCJUTD-ZFWWWQNUSA-N 0 3 364.450 0.584 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000181913286 209124240 /nfs/dbraw/zinc/12/42/40/209124240.db2.gz RIDGFXQFRPWHSV-HZPDHXFCSA-N 0 3 365.430 0.989 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963689 217338065 /nfs/dbraw/zinc/33/80/65/217338065.db2.gz RWXFQWNEHZXZLP-HOTGVXAUSA-N 0 3 350.350 0.885 20 5 FCBDHN Cc1c(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000419758273 246286177 /nfs/dbraw/zinc/28/61/77/246286177.db2.gz JVYROFXVLGNSFD-AAEUAGOBSA-N 0 3 364.402 0.749 20 5 FCBDHN [NH3+][C@@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423601497 247071427 /nfs/dbraw/zinc/07/14/27/247071427.db2.gz ZNDLSEBUOUPYPJ-GHMZBOCLSA-N 0 3 356.404 0.259 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424082164 247166595 /nfs/dbraw/zinc/16/65/95/247166595.db2.gz WAYKWNTYJQYACN-OLZOCXBDSA-N 0 3 368.415 0.083 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c(Br)c1 ZINC000440351033 248175302 /nfs/dbraw/zinc/17/53/02/248175302.db2.gz QTLLHAWHFVWKEE-ZETCQYMHSA-N 0 3 350.194 0.998 20 5 FCBDHN CS[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271010877 211315994 /nfs/dbraw/zinc/31/59/94/211315994.db2.gz GWGCBHKIEPEESQ-UONOGXRCSA-N 0 3 366.443 0.829 20 5 FCBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583715 211228009 /nfs/dbraw/zinc/22/80/09/211228009.db2.gz RGQVLDSRDCIBLZ-UONOGXRCSA-N 0 3 366.418 0.620 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000269972167 211130151 /nfs/dbraw/zinc/13/01/51/211130151.db2.gz ZYNYMRAHGVCCSQ-HNNXBMFYSA-N 0 3 370.431 0.215 20 5 FCBDHN CCOC(=O)CNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269664493 211039018 /nfs/dbraw/zinc/03/90/18/211039018.db2.gz PSSJSLNSTKMYAY-UHFFFAOYSA-N 0 3 353.379 0.183 20 5 FCBDHN CN(C)C(=O)C[NH+]1CCC(NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068605945 208028542 /nfs/dbraw/zinc/02/85/42/208028542.db2.gz NBBQYCUPDMMQLD-UHFFFAOYSA-N 0 3 374.401 0.754 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000089204410 208119048 /nfs/dbraw/zinc/11/90/48/208119048.db2.gz TVVGPGVXHCTVBO-JTQLQIEISA-N 0 3 360.374 0.820 20 5 FCBDHN CCN1CCN([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834533 208351532 /nfs/dbraw/zinc/35/15/32/208351532.db2.gz JOALKXULRGWKOL-INIZCTEOSA-N 0 3 361.446 0.906 20 5 FCBDHN NC(=O)c1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000266509642 210346731 /nfs/dbraw/zinc/34/67/31/210346731.db2.gz YCOKMVJDOOTRBK-INIZCTEOSA-N 0 3 359.386 0.916 20 5 FCBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN1CCCCC1 ZINC000412322696 533279320 /nfs/dbraw/zinc/27/93/20/533279320.db2.gz QFMMUJGCTACXBK-LLVKDONJSA-N 0 3 352.395 0.049 20 5 FCBDHN CN(C)CC[NH+]1CCC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193592468 229269689 /nfs/dbraw/zinc/26/96/89/229269689.db2.gz LYCOZGYTXOUJBV-UHFFFAOYSA-N 0 3 351.407 0.699 20 5 FCBDHN C[NH+](C)CCN1CCC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193592468 229269693 /nfs/dbraw/zinc/26/96/93/229269693.db2.gz LYCOZGYTXOUJBV-UHFFFAOYSA-N 0 3 351.407 0.699 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691740 488874975 /nfs/dbraw/zinc/87/49/75/488874975.db2.gz LDZMLZFNDWBYAG-NEPJUHHUSA-N 0 3 363.370 0.959 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000301508326 488880953 /nfs/dbraw/zinc/88/09/53/488880953.db2.gz HQIBUFJNVYUSCJ-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN COc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069544052 488373278 /nfs/dbraw/zinc/37/32/78/488373278.db2.gz ZTZCWYJHDXKMGJ-UHFFFAOYSA-N 0 3 350.419 0.900 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000076454074 488404781 /nfs/dbraw/zinc/40/47/81/488404781.db2.gz VKQNCOCYFSGYGO-CQSZACIVSA-N 0 3 366.422 0.240 20 5 FCBDHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000077841658 488418886 /nfs/dbraw/zinc/41/88/86/488418886.db2.gz OTXZELZLWNYPKS-UHFFFAOYSA-N 0 3 363.418 0.676 20 5 FCBDHN CCc1n[nH]c(C(=O)NC[C@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000268482156 488422991 /nfs/dbraw/zinc/42/29/91/488422991.db2.gz ZAIAGZNCJHZXQK-LBPRGKRZSA-N 0 3 352.439 0.884 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083412977 488447801 /nfs/dbraw/zinc/44/78/01/488447801.db2.gz ILACMWPFSLWQII-ZBFHGGJFSA-N 0 3 354.407 0.812 20 5 FCBDHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247490618 488486246 /nfs/dbraw/zinc/48/62/46/488486246.db2.gz KXBNTENQOKLWLN-DZGCQCFKSA-N 0 3 353.423 0.636 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000249853688 488514854 /nfs/dbraw/zinc/51/48/54/488514854.db2.gz NYBAGXOTMAUAQS-RYUDHWBXSA-N 0 3 370.431 0.778 20 5 FCBDHN O=C1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1F ZINC000563010554 491207806 /nfs/dbraw/zinc/20/78/06/491207806.db2.gz FRGBJPDTMRNHEK-DGCLKSJQSA-N 0 3 363.349 0.686 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000252465861 488517778 /nfs/dbraw/zinc/51/77/78/488517778.db2.gz PPJKPZBMYVVZKJ-DOTOQJQBSA-N 0 3 365.430 0.989 20 5 FCBDHN CN(C(=O)CN1CCNC[C@@H]1c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000261685215 488531023 /nfs/dbraw/zinc/53/10/23/488531023.db2.gz DOGMWMIENBUSKL-OAHLLOKOSA-N 0 3 358.402 0.938 20 5 FCBDHN CC[C@H](C)[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262119757 488552003 /nfs/dbraw/zinc/55/20/03/488552003.db2.gz JJQQYRFRSFZKBA-GWCFXTLKSA-N 0 3 358.420 0.363 20 5 FCBDHN Cc1c(C(=O)NCC2=CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000271990033 488557359 /nfs/dbraw/zinc/55/73/59/488557359.db2.gz PWPWOJDMRCNACG-UHFFFAOYSA-N 0 3 368.415 0.542 20 5 FCBDHN CCC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000121712361 488570341 /nfs/dbraw/zinc/57/03/41/488570341.db2.gz VJQXGVPKYSGORV-HOCLYGCPSA-N 0 3 355.439 0.585 20 5 FCBDHN CN(CC(=O)N1CCCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262463735 488571674 /nfs/dbraw/zinc/57/16/74/488571674.db2.gz BMGAVBZAMNDDJB-UHFFFAOYSA-N 0 3 356.404 0.037 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272370178 488576155 /nfs/dbraw/zinc/57/61/55/488576155.db2.gz UAPOLWQQWPWOPC-UHFFFAOYSA-N 0 3 351.359 0.900 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272420646 488579767 /nfs/dbraw/zinc/57/97/67/488579767.db2.gz HMPUOGJVMCRJRI-KBPBESRZSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272420646 488579769 /nfs/dbraw/zinc/57/97/69/488579769.db2.gz HMPUOGJVMCRJRI-KBPBESRZSA-N 0 3 359.386 0.931 20 5 FCBDHN COCCNCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262626531 488582712 /nfs/dbraw/zinc/58/27/12/488582712.db2.gz DOCGMNCWIGTILR-NSHDSACASA-N 0 3 370.431 0.613 20 5 FCBDHN CSCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262694747 488586838 /nfs/dbraw/zinc/58/68/38/488586838.db2.gz COHGYVKHBIFILS-AWEZNQCLSA-N 0 3 366.443 0.960 20 5 FCBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262814005 488594837 /nfs/dbraw/zinc/59/48/37/488594837.db2.gz YWECSDFBLOAMEQ-UWVGGRQHSA-N 0 3 357.388 0.785 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000263275866 488608611 /nfs/dbraw/zinc/60/86/11/488608611.db2.gz YLADIXYTUNGWAJ-ABAIWWIYSA-N 0 3 364.406 0.102 20 5 FCBDHN C[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000272908371 488616098 /nfs/dbraw/zinc/61/60/98/488616098.db2.gz DLCZGXLUWFAFLI-HNNXBMFYSA-N 0 3 370.431 0.522 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000264332941 488664692 /nfs/dbraw/zinc/66/46/92/488664692.db2.gz LHKUSAJSFRFMKQ-UHFFFAOYSA-N 0 3 374.401 0.399 20 5 FCBDHN COCCN1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264476925 488677670 /nfs/dbraw/zinc/67/76/70/488677670.db2.gz HDVDAGTUJMMMKO-AWEZNQCLSA-N 0 3 364.402 0.552 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563083282 491214103 /nfs/dbraw/zinc/21/41/03/491214103.db2.gz FITUTYVLDJWJBT-PWSUYJOCSA-N 0 3 351.363 0.283 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000151901380 488711389 /nfs/dbraw/zinc/71/13/89/488711389.db2.gz AZTYWIIWPKKYRX-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN C[NH+]1CCC(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000266887009 488740453 /nfs/dbraw/zinc/74/04/53/488740453.db2.gz LBPHMDZHHYIHBG-UHFFFAOYSA-N 0 3 370.431 0.331 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154468227 488743358 /nfs/dbraw/zinc/74/33/58/488743358.db2.gz MOVBOLOXBMCUJU-SJORKVTESA-N 0 3 362.430 0.867 20 5 FCBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000275135866 488765307 /nfs/dbraw/zinc/76/53/07/488765307.db2.gz SXZUOHSHKDKLQL-JTQLQIEISA-N 0 3 362.308 0.757 20 5 FCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000267558132 488797554 /nfs/dbraw/zinc/79/75/54/488797554.db2.gz ABKQDMRPIMOGOF-AWEZNQCLSA-N 0 3 366.418 0.548 20 5 FCBDHN CC[NH+](CC)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280715098 489026610 /nfs/dbraw/zinc/02/66/10/489026610.db2.gz GRHQTAPCPGEQMY-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN(C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000289374099 489062230 /nfs/dbraw/zinc/06/22/30/489062230.db2.gz OTOJJANHKOHRIZ-KRWDZBQOSA-N 0 3 362.430 0.808 20 5 FCBDHN CN1CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281722461 489100722 /nfs/dbraw/zinc/10/07/22/489100722.db2.gz VPAYYMVASYXXRZ-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN COC(=O)C1CCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290462252 489142205 /nfs/dbraw/zinc/14/22/05/489142205.db2.gz FLNIFWAOZFMVAL-UHFFFAOYSA-N 0 3 365.390 0.776 20 5 FCBDHN CN1CCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000282858308 489194881 /nfs/dbraw/zinc/19/48/81/489194881.db2.gz XJADRXSYJWRCTF-UHFFFAOYSA-N 0 3 353.427 0.117 20 5 FCBDHN C[C@@H](CO)N1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966766 489223314 /nfs/dbraw/zinc/22/33/14/489223314.db2.gz RCNFDQUYGOGEKS-GJZGRUSLSA-N 0 3 353.419 0.723 20 5 FCBDHN COc1ccc(NC(=O)CCN2[C@@H](CO)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000298698430 489354306 /nfs/dbraw/zinc/35/43/06/489354306.db2.gz ZUNMBNRGQBGIAR-VXGBXAGGSA-N 0 3 353.375 0.750 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(S(N)(=O)=O)CC1 ZINC000361746753 489364366 /nfs/dbraw/zinc/36/43/66/489364366.db2.gz WUCDVYCSZGPPOC-UHFFFAOYSA-N 0 3 370.431 0.985 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362932102 489406091 /nfs/dbraw/zinc/40/60/91/489406091.db2.gz NNVRWGAHTHYCTI-UONOGXRCSA-N 0 3 362.386 0.821 20 5 FCBDHN COCCN1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000299237380 489422487 /nfs/dbraw/zinc/42/24/87/489422487.db2.gz KPTXBFVQGJPRQO-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000299282115 489428220 /nfs/dbraw/zinc/42/82/20/489428220.db2.gz CIOOMUCDDAWAFP-UHFFFAOYSA-N 0 3 350.375 0.544 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363209623 489438593 /nfs/dbraw/zinc/43/85/93/489438593.db2.gz RWUWEURWIAWFQU-AWEZNQCLSA-N 0 3 361.402 0.731 20 5 FCBDHN C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423217381 489503810 /nfs/dbraw/zinc/50/38/10/489503810.db2.gz RZRAITAUOGLWLR-VXGBXAGGSA-N 0 3 370.431 0.377 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1F ZINC000570836744 491268103 /nfs/dbraw/zinc/26/81/03/491268103.db2.gz KWTUCFKMAQMJFN-TZMCWYRMSA-N 0 3 363.349 0.686 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455639432 489597545 /nfs/dbraw/zinc/59/75/45/489597545.db2.gz MGIJCNQOPKVXFL-LBPRGKRZSA-N 0 3 350.423 0.787 20 5 FCBDHN CN(C)CC(C)(C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416511670 489603290 /nfs/dbraw/zinc/60/32/90/489603290.db2.gz YMKWFSMDPRVRJM-UHFFFAOYSA-N 0 3 359.404 0.985 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416510861 489603304 /nfs/dbraw/zinc/60/33/04/489603304.db2.gz VSPWNMXWFTVRQZ-UHFFFAOYSA-N 0 3 359.404 1.000 20 5 FCBDHN O=C(C[C@@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429678400 489696684 /nfs/dbraw/zinc/69/66/84/489696684.db2.gz BRFLSXWGQBGUDY-LLVKDONJSA-N 0 3 368.415 0.319 20 5 FCBDHN COCCNCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418509382 489703345 /nfs/dbraw/zinc/70/33/45/489703345.db2.gz ONNMSZGBYGKNEB-UHFFFAOYSA-N 0 3 352.395 0.057 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000469363959 489704016 /nfs/dbraw/zinc/70/40/16/489704016.db2.gz NRTDHXWAFONOHI-ZWNOBZJWSA-N 0 3 371.415 0.952 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869141 489766507 /nfs/dbraw/zinc/76/65/07/489766507.db2.gz OJQQNMWSTCTGEC-BXUZGUMPSA-N 0 3 364.402 0.483 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000376664548 489772518 /nfs/dbraw/zinc/77/25/18/489772518.db2.gz QFSDUDQOSQCBLL-GXFFZTMASA-N 0 3 368.415 0.408 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922378 489792063 /nfs/dbraw/zinc/79/20/63/489792063.db2.gz KXCPDHLOUPYTJU-SMDDNHRTSA-N 0 3 364.402 0.483 20 5 FCBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000476293328 489878995 /nfs/dbraw/zinc/87/89/95/489878995.db2.gz AUBIQSLHOXMVMX-UHFFFAOYSA-N 0 3 359.404 0.306 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476360514 489883106 /nfs/dbraw/zinc/88/31/06/489883106.db2.gz YBIOIDLEQGWFPV-NSHDSACASA-N 0 3 352.395 0.001 20 5 FCBDHN COCCN(CCN(C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465123806 490083278 /nfs/dbraw/zinc/08/32/78/490083278.db2.gz UUUBXYQTIKMTQS-UHFFFAOYSA-N 0 3 367.402 0.945 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN(C)C ZINC000479991852 490146890 /nfs/dbraw/zinc/14/68/90/490146890.db2.gz KGTIOVQEPXUXGE-NSHDSACASA-N 0 3 354.411 0.151 20 5 FCBDHN Cc1ccc(NCCCNC(=O)N2CCN(C)C[C@H]2CN)c([N+](=O)[O-])c1 ZINC000520547023 490160091 /nfs/dbraw/zinc/16/00/91/490160091.db2.gz LUQOBTSEOUCGNK-CQSZACIVSA-N 0 3 364.450 0.990 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000564475558 491309221 /nfs/dbraw/zinc/30/92/21/491309221.db2.gz DRAIZYKZRNQMJY-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FCBDHN C[C@@H]1CCN(C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000498734100 490333584 /nfs/dbraw/zinc/33/35/84/490333584.db2.gz ZITKWUKIWNZCAG-LLVKDONJSA-N 0 3 360.370 0.743 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000411359740 490438926 /nfs/dbraw/zinc/43/89/26/490438926.db2.gz VMMDCBORZSBWFH-INIZCTEOSA-N 0 3 350.375 0.333 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000411513697 490476346 /nfs/dbraw/zinc/47/63/46/490476346.db2.gz VPLLZSQHVQLAHP-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1CCCO ZINC000450593044 490477825 /nfs/dbraw/zinc/47/78/25/490477825.db2.gz IFQGXRITSNBUGV-GFCCVEGCSA-N 0 3 358.420 0.501 20 5 FCBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CN1CCN(C)CC1 ZINC000523698858 490488476 /nfs/dbraw/zinc/48/84/76/490488476.db2.gz XZBCKGAZKICZJG-LBPRGKRZSA-N 0 3 364.402 0.937 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582152 490503463 /nfs/dbraw/zinc/50/34/63/490503463.db2.gz PDMMZDFZJQUUMW-MRXNPFEDSA-N 0 3 363.462 0.857 20 5 FCBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000510807457 490541258 /nfs/dbraw/zinc/54/12/58/490541258.db2.gz CEZQVMVOJXLIJH-OLZOCXBDSA-N 0 3 358.420 0.207 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000525103047 490575861 /nfs/dbraw/zinc/57/58/61/490575861.db2.gz KFNGFNPOVNHFHZ-TZMCWYRMSA-N 0 3 363.418 0.993 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000564976715 491342439 /nfs/dbraw/zinc/34/24/39/491342439.db2.gz WDNUBJNIUCVJRH-IUODEOHRSA-N 0 3 358.416 0.746 20 5 FCBDHN C[C@@H]1CN(C)C[C@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159080 490698563 /nfs/dbraw/zinc/69/85/63/490698563.db2.gz WKAMQUVQKRGTKG-BXUZGUMPSA-N 0 3 355.416 0.682 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000513434684 490728498 /nfs/dbraw/zinc/72/84/98/490728498.db2.gz OLMPLLUIYYUMSM-ZDUSSCGKSA-N 0 3 351.407 0.606 20 5 FCBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000514598197 490773296 /nfs/dbraw/zinc/77/32/96/490773296.db2.gz HASOKLJEWRYRDC-GFCCVEGCSA-N 0 3 361.358 0.144 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000541140892 490851991 /nfs/dbraw/zinc/85/19/91/490851991.db2.gz SCHAOGZZLUCOBX-CYBMUJFWSA-N 0 3 350.375 0.998 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000516572302 490868823 /nfs/dbraw/zinc/86/88/23/490868823.db2.gz LMDQBRNIXZIIAU-NWDGAFQWSA-N 0 3 368.415 0.084 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516878290 490882827 /nfs/dbraw/zinc/88/28/27/490882827.db2.gz FREKDUZYLDTIPE-ZIAGYGMSSA-N 0 3 361.402 0.476 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000516948485 490886886 /nfs/dbraw/zinc/88/68/86/490886886.db2.gz IVDCOYFBAKHBMX-KRWDZBQOSA-N 0 3 352.435 0.656 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265163 491363665 /nfs/dbraw/zinc/36/36/65/491363665.db2.gz NYYTYQWAVBKQRN-MFKMUULPSA-N 0 3 350.375 0.440 20 5 FCBDHN Cc1c(C(=O)NCCN2CC[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531297133 490950984 /nfs/dbraw/zinc/95/09/84/490950984.db2.gz UMGAFWVRRDQCRR-SNVBAGLBSA-N 0 3 370.431 0.622 20 5 FCBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000518848768 490953660 /nfs/dbraw/zinc/95/36/60/490953660.db2.gz YHTNKGQZRKGQTI-UHFFFAOYSA-N 0 3 360.374 0.837 20 5 FCBDHN Nc1c(C(=O)NCC(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000554221550 491185653 /nfs/dbraw/zinc/18/56/53/491185653.db2.gz RGNRDDYKXRHCFQ-UHFFFAOYSA-N 0 3 363.418 0.899 20 5 FCBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000572511766 491375453 /nfs/dbraw/zinc/37/54/53/491375453.db2.gz QHGUDZOHAKQMHD-NSHDSACASA-N 0 3 369.374 0.347 20 5 FCBDHN Cn1c(=O)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000572870449 491398994 /nfs/dbraw/zinc/39/89/94/491398994.db2.gz PUVCKABXYITJSB-HNNXBMFYSA-N 0 3 357.370 0.794 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000566497326 491449088 /nfs/dbraw/zinc/44/90/88/491449088.db2.gz YVKTWFZOHWVVQW-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000567167783 491489900 /nfs/dbraw/zinc/48/99/00/491489900.db2.gz MJMLUOGKVJGUBI-LBPRGKRZSA-N 0 3 370.431 0.379 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000574705743 491514960 /nfs/dbraw/zinc/51/49/60/491514960.db2.gz MYDAVLMGULMCSF-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000560561775 491544777 /nfs/dbraw/zinc/54/47/77/491544777.db2.gz GMILWEXUJLGWSV-NSHDSACASA-N 0 3 363.418 0.965 20 5 FCBDHN CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000575309675 491548289 /nfs/dbraw/zinc/54/82/89/491548289.db2.gz SHQLDGBHVPCVCK-SNVBAGLBSA-N 0 3 369.809 0.079 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000575933923 491571408 /nfs/dbraw/zinc/57/14/08/491571408.db2.gz ZYYFHSRCXIVEGY-GOSISDBHSA-N 0 3 371.397 0.967 20 5 FCBDHN CCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413128 491575585 /nfs/dbraw/zinc/57/55/85/491575585.db2.gz VKCAPKBDGBHNMV-CZUORRHYSA-N 0 3 350.375 0.674 20 5 FCBDHN CNc1nccc(C(=O)N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000561245521 491588901 /nfs/dbraw/zinc/58/89/01/491588901.db2.gz OMPVKFVXZUSBGP-UHFFFAOYSA-N 0 3 351.407 1.214 20 5 FCBDHN CCOC(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000584485483 491596869 /nfs/dbraw/zinc/59/68/69/491596869.db2.gz CYSAMBCZCRMNOU-KBPBESRZSA-N 0 3 351.359 0.518 20 5 FCBDHN COc1ccc(NC(=O)CN[C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000577241738 491606037 /nfs/dbraw/zinc/60/60/37/491606037.db2.gz ZWXJUOMGCZOYJH-CQSZACIVSA-N 0 3 353.375 0.919 20 5 FCBDHN CCN(Cc1ccccc1)C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577364818 491615372 /nfs/dbraw/zinc/61/53/72/491615372.db2.gz BZKSEUWCBLSMHP-MRXNPFEDSA-N 0 3 361.402 0.791 20 5 FCBDHN C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000568880429 491616380 /nfs/dbraw/zinc/61/63/80/491616380.db2.gz HVBWGHIQAFEWKP-LBPRGKRZSA-N 0 3 364.402 0.740 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000577647498 491639683 /nfs/dbraw/zinc/63/96/83/491639683.db2.gz QLCXFODKJLYPQM-UHFFFAOYSA-N 0 3 364.406 0.198 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000580436042 491731062 /nfs/dbraw/zinc/73/10/62/491731062.db2.gz RAVNOHUFYMFMBJ-GFCCVEGCSA-N 0 3 358.416 0.891 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000590369432 491774048 /nfs/dbraw/zinc/77/40/48/491774048.db2.gz GITQERNEBULUAY-SECBINFHSA-N 0 3 358.782 0.017 20 5 FCBDHN COc1cc(C(=O)N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000590370084 491774352 /nfs/dbraw/zinc/77/43/52/491774352.db2.gz RRAHILNWGKVXJD-QMMMGPOBSA-N 0 3 363.317 0.857 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000590371869 491774356 /nfs/dbraw/zinc/77/43/56/491774356.db2.gz LKNAGGHIONGVPQ-OLZOCXBDSA-N 0 3 368.438 0.400 20 5 FCBDHN Nc1n[nH]c(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000590598801 491780627 /nfs/dbraw/zinc/78/06/27/491780627.db2.gz BDKMIODLYJMSHE-ZDUSSCGKSA-N 0 3 362.390 0.914 20 5 FCBDHN O=C(CN[C@H](CO)C1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582440722 491812583 /nfs/dbraw/zinc/81/25/83/491812583.db2.gz ZZLRLCACTFJLFE-GFCCVEGCSA-N 0 3 367.358 0.639 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875262 491869323 /nfs/dbraw/zinc/86/93/23/491869323.db2.gz GYOIVJTXTKLKOC-KGLIPLIRSA-N 0 3 361.402 0.476 20 5 FCBDHN CCN(CCN)C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600797075 491882330 /nfs/dbraw/zinc/88/23/30/491882330.db2.gz LRDCVANBTCVDIP-UHFFFAOYSA-N 0 3 364.402 0.772 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595263668 491908598 /nfs/dbraw/zinc/90/85/98/491908598.db2.gz JIGLXLZIWZJANR-UHFFFAOYSA-N 0 3 362.346 0.557 20 5 FCBDHN COC1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000612660713 491942420 /nfs/dbraw/zinc/94/24/20/491942420.db2.gz PFNLXTYQHLRDTJ-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596195018 491979316 /nfs/dbraw/zinc/97/93/16/491979316.db2.gz CTVXHDSHORBYOE-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602772692 491997462 /nfs/dbraw/zinc/99/74/62/491997462.db2.gz NIQCMGRAHSIGOZ-UHFFFAOYSA-N 0 3 352.439 0.586 20 5 FCBDHN COc1ccc(CSCC(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597653507 492056861 /nfs/dbraw/zinc/05/68/61/492056861.db2.gz KGHYWDDTPOISFK-LBPRGKRZSA-N 0 3 357.432 0.875 20 5 FCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000604573283 492063918 /nfs/dbraw/zinc/06/39/18/492063918.db2.gz BJLLHYZNGLKLNC-OAHLLOKOSA-N 0 3 351.407 0.895 20 5 FCBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598194766 492088217 /nfs/dbraw/zinc/08/82/17/492088217.db2.gz HWVCCLXKBWHZRO-OAHLLOKOSA-N 0 3 358.402 0.962 20 5 FCBDHN CCCN1CC[C@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342441 492095488 /nfs/dbraw/zinc/09/54/88/492095488.db2.gz IOJNMNLGWVLUHA-ZDUSSCGKSA-N 0 3 364.402 0.934 20 5 FCBDHN CS[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000598608030 492108266 /nfs/dbraw/zinc/10/82/66/492108266.db2.gz PYYHRRHBGOGZFA-NEPJUHHUSA-N 0 3 368.463 0.703 20 5 FCBDHN CS[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000598608033 492108316 /nfs/dbraw/zinc/10/83/16/492108316.db2.gz PYYHRRHBGOGZFA-NWDGAFQWSA-N 0 3 368.463 0.703 20 5 FCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000608867016 492194757 /nfs/dbraw/zinc/19/47/57/492194757.db2.gz HRQHTCWKWWNXKV-GFCCVEGCSA-N 0 3 370.431 0.461 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611527853 492289571 /nfs/dbraw/zinc/28/95/71/492289571.db2.gz QZQGLFUNLLJWLE-CQSZACIVSA-N 0 3 361.402 0.731 20 5 FCBDHN C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000412388455 533891219 /nfs/dbraw/zinc/89/12/19/533891219.db2.gz MJZVLAYHDODURH-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN CN1C[C@@H]2CCCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000425053609 536487960 /nfs/dbraw/zinc/48/79/60/536487960.db2.gz YIWGIPAYRGPCFG-SMDDNHRTSA-N 0 3 372.381 0.743 20 5 FCBDHN CC(C)(CNCCC(=O)Nc1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000591735626 546939303 /nfs/dbraw/zinc/93/93/03/546939303.db2.gz XPLRKNIIDDJRIM-UHFFFAOYSA-N 0 3 358.420 0.841 20 5 FCBDHN CCNC(=O)N1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591754268 546939916 /nfs/dbraw/zinc/93/99/16/546939916.db2.gz FURBXTQBSIYHLI-OLZOCXBDSA-N 0 3 352.391 0.728 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCCC1 ZINC000591756220 546940106 /nfs/dbraw/zinc/94/01/06/546940106.db2.gz RZMIWLHLBXOHOF-CABCVRRESA-N 0 3 351.407 0.675 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592489351 546951701 /nfs/dbraw/zinc/95/17/01/546951701.db2.gz QWLQKYKQFAMSCK-AWEZNQCLSA-N 0 3 350.375 0.760 20 5 FCBDHN CC(C)([NH3+])CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592536308 546953813 /nfs/dbraw/zinc/95/38/13/546953813.db2.gz KMNFTNLIDRFGKT-UHFFFAOYSA-N 0 3 358.420 0.507 20 5 FCBDHN O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000823647930 599453164 /nfs/dbraw/zinc/45/31/64/599453164.db2.gz QDUUGGBWSFSYCB-LLVKDONJSA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000823647930 599453165 /nfs/dbraw/zinc/45/31/65/599453165.db2.gz QDUUGGBWSFSYCB-LLVKDONJSA-N 0 3 369.389 0.845 20 5 FCBDHN CCN(Cc1nncn1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713086 674551212 /nfs/dbraw/zinc/55/12/12/674551212.db2.gz LETJGFYVBGRDIT-ZIAGYGMSSA-N 0 3 350.423 0.541 20 5 FCBDHN CC(=O)Nc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983657658 664980363 /nfs/dbraw/zinc/98/03/63/664980363.db2.gz LBTQICOYHLKGGH-FPQZTECRSA-N 0 3 367.431 0.751 20 5 FCBDHN CC(C)n1cc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000985431066 665166923 /nfs/dbraw/zinc/16/69/23/665166923.db2.gz LRIQOGVANNOKRY-HUUCEWRRSA-N 0 3 350.423 0.947 20 5 FCBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000786868037 668779568 /nfs/dbraw/zinc/77/95/68/668779568.db2.gz IJYCQRZRVYSZTF-LLVKDONJSA-N 0 3 362.477 0.961 20 5 FCBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCNS(=O)(=O)c2cccnc2)cc1 ZINC000819180631 668986373 /nfs/dbraw/zinc/98/63/73/668986373.db2.gz UVORZZCZXXHTNB-HNNXBMFYSA-N 0 3 366.399 0.591 20 5 FCBDHN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000796275920 669094279 /nfs/dbraw/zinc/09/42/79/669094279.db2.gz PKZLEMXGGYCUCO-UHFFFAOYSA-N 0 3 371.415 0.902 20 5 FCBDHN CN(C)C(=O)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549932 669107347 /nfs/dbraw/zinc/10/73/47/669107347.db2.gz RHUMGWMKBRWDOS-JSGCOSHPSA-N 0 3 355.395 0.705 20 5 FCBDHN CN(C)C(=O)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549930 669107504 /nfs/dbraw/zinc/10/75/04/669107504.db2.gz RHUMGWMKBRWDOS-GXTWGEPZSA-N 0 3 355.395 0.705 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813108113 669827853 /nfs/dbraw/zinc/82/78/53/669827853.db2.gz VGZACEREQFRZNO-VIFPVBQESA-N 0 3 361.332 0.472 20 5 FCBDHN Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cn1C ZINC000813111089 669828395 /nfs/dbraw/zinc/82/83/95/669828395.db2.gz CDMIQPLFRNEPFN-SNVBAGLBSA-N 0 3 374.419 0.338 20 5 FCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861708830 671982404 /nfs/dbraw/zinc/98/24/04/671982404.db2.gz BVYMWGDSJJSOAD-VXGBXAGGSA-N 0 3 353.350 0.780 20 5 FCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861708829 671982417 /nfs/dbraw/zinc/98/24/17/671982417.db2.gz BVYMWGDSJJSOAD-RYUDHWBXSA-N 0 3 353.350 0.780 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nc3ccccc3c(=O)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363472 1198328045 /nfs/dbraw/zinc/32/80/45/1198328045.db2.gz WDTBHIBZWFXTDG-NLRBGTRBSA-N 0 3 371.397 0.985 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000747325404 1202727045 /nfs/dbraw/zinc/72/70/45/1202727045.db2.gz IUJWPRPLEHPCPN-HIFRSBDPSA-N 0 3 363.370 0.974 20 5 FCBDHN NC(=O)[C@](O)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844051 1209522291 /nfs/dbraw/zinc/52/22/91/1209522291.db2.gz QENNTCZYHUPHGA-KSSFIOAISA-N 0 3 371.397 0.849 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585935 1209541882 /nfs/dbraw/zinc/54/18/82/1209541882.db2.gz DVJOZEUIJVJROS-DLBZAZTESA-N 0 3 362.430 0.867 20 5 FCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC000954239468 1213050305 /nfs/dbraw/zinc/05/03/05/1213050305.db2.gz JCMXVIQIEHMUTF-HUUCEWRRSA-N 0 3 370.369 0.215 20 5 FCBDHN O=C(c1cncc2nc[nH]c21)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019091586 1214197233 /nfs/dbraw/zinc/19/72/33/1214197233.db2.gz HRMPERBYGRKPDE-ZWNOBZJWSA-N 0 3 370.369 0.298 20 5 FCBDHN CCC1(NC(=O)Cc2cc(C)n[nH]2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368216 1216785928 /nfs/dbraw/zinc/78/59/28/1216785928.db2.gz NFYCWIOAHDNVKS-ZIAGYGMSSA-N 0 3 363.418 0.813 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389453 1217398460 /nfs/dbraw/zinc/39/84/60/1217398460.db2.gz ZPROJWPLCHYWLS-ZIAGYGMSSA-N 0 3 366.418 0.927 20 5 FCBDHN CN1CCC2(CC1)NC(=O)N(CN1CCc3c1cccc3[N+](=O)[O-])C2=O ZINC000754776926 1220121527 /nfs/dbraw/zinc/12/15/27/1220121527.db2.gz SLJFEXTZADCMBQ-UHFFFAOYSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151250 1221482433 /nfs/dbraw/zinc/48/24/33/1221482433.db2.gz LCQSOINVANXEIO-HZPDHXFCSA-N 0 3 374.397 0.416 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC001118083955 1221707530 /nfs/dbraw/zinc/70/75/30/1221707530.db2.gz HKGDNPHELVIXOP-CQSZACIVSA-N 0 3 364.402 0.772 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483843 1222741410 /nfs/dbraw/zinc/74/14/10/1222741410.db2.gz GOZDHXOJGFXWDL-UONOGXRCSA-N 0 3 362.386 0.821 20 5 FCBDHN COC(=O)c1cc(C)nc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162972278 1223222633 /nfs/dbraw/zinc/22/26/33/1223222633.db2.gz UJDIFNOQNMECPN-UHFFFAOYSA-N 0 3 361.362 0.782 20 5 FCBDHN CC(C)(C)n1nnnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490650 1223239268 /nfs/dbraw/zinc/23/92/68/1223239268.db2.gz PLULUKZNQATJSJ-VXGBXAGGSA-N 0 3 365.438 0.469 20 5 FCBDHN CC(C)Cn1ncnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490360 1223239340 /nfs/dbraw/zinc/23/93/40/1223239340.db2.gz GEKFETNQZPDJEC-ZIAGYGMSSA-N 0 3 364.450 0.975 20 5 FCBDHN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000978793818 1248772020 /nfs/dbraw/zinc/77/20/20/1248772020.db2.gz AOCKJKVBEUUGTC-DZGBDDFRSA-N 0 3 357.370 0.624 20 5 FCBDHN CN1CCC2(CC1)NC(=O)N(CN1CCc3ccc([N+](=O)[O-])cc31)C2=O ZINC000919947321 1245614121 /nfs/dbraw/zinc/61/41/21/1245614121.db2.gz KQQPXNRAFGYFLK-UHFFFAOYSA-N 0 3 359.386 0.931 20 5 FCBDHN CC1(C(=O)N2CCN(CCCCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001079160996 1255463517 /nfs/dbraw/zinc/46/35/17/1255463517.db2.gz RIYNPQJOSQRSKP-HUUCEWRRSA-N 0 3 366.462 0.882 20 5 FCBDHN COC(=O)CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254469977 1259885694 /nfs/dbraw/zinc/88/56/94/1259885694.db2.gz DNCNBWZNZZIDGA-HNNXBMFYSA-N 0 3 364.402 0.960 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318318090 1263563178 /nfs/dbraw/zinc/56/31/78/1263563178.db2.gz WCBURQHAJPYAAK-GFCCVEGCSA-N 0 3 364.406 0.191 20 5 FCBDHN C[C@H]1CN(CCCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001319370369 1263685927 /nfs/dbraw/zinc/68/59/27/1263685927.db2.gz QTDNLUADYPIQHW-KBPBESRZSA-N 0 3 366.418 0.762 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC001323906171 1264537998 /nfs/dbraw/zinc/53/79/98/1264537998.db2.gz QQICXHDFGUPGPY-OLZOCXBDSA-N 0 3 366.422 0.144 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323942212 1264546134 /nfs/dbraw/zinc/54/61/34/1264546134.db2.gz QKAPSVJNPNGEJD-AWEZNQCLSA-N 0 3 364.402 0.820 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001325806248 1264998708 /nfs/dbraw/zinc/99/87/08/1264998708.db2.gz UPPSAOUUDISAKE-ZDUSSCGKSA-N 0 3 364.402 0.820 20 5 FCBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327321882 1265283961 /nfs/dbraw/zinc/28/39/61/1265283961.db2.gz KTZVLPGBDPSYDV-CYBMUJFWSA-N 0 3 366.422 0.144 20 5 FCBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001339338144 1268215486 /nfs/dbraw/zinc/21/54/86/1268215486.db2.gz FOYIMVZWZXRQMB-CYBMUJFWSA-N 0 3 351.455 0.852 20 5 FCBDHN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)N2CCNCC2)cc1 ZINC001580874935 1279080132 /nfs/dbraw/zinc/08/01/32/1279080132.db2.gz PSQIQWRJRYVQLD-CYBMUJFWSA-N 0 3 358.445 0.792 20 5 FCBDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164473 1283257528 /nfs/dbraw/zinc/25/75/28/1283257528.db2.gz SCTRKNLUGMHPIB-JTQLQIEISA-N 0 3 360.378 0.331 20 5 FCBDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164473 1283257534 /nfs/dbraw/zinc/25/75/34/1283257534.db2.gz SCTRKNLUGMHPIB-JTQLQIEISA-N 0 3 360.378 0.331 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC001592757514 1285678834 /nfs/dbraw/zinc/67/88/34/1285678834.db2.gz KSLBOSHKHRRNFU-ZJUUUORDSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC001592757514 1285678844 /nfs/dbraw/zinc/67/88/44/1285678844.db2.gz KSLBOSHKHRRNFU-ZJUUUORDSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC001592757514 1285678850 /nfs/dbraw/zinc/67/88/50/1285678850.db2.gz KSLBOSHKHRRNFU-ZJUUUORDSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC001592757514 1285678857 /nfs/dbraw/zinc/67/88/57/1285678857.db2.gz KSLBOSHKHRRNFU-ZJUUUORDSA-N 0 3 360.378 0.632 20 5 FCBDHN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnn(-c2ccncc2)c1 ZINC001689609604 1294813276 /nfs/dbraw/zinc/81/32/76/1294813276.db2.gz URFDZBHZXQJNTJ-ZIAGYGMSSA-N 0 3 370.369 0.311 20 5 FCBDHN CCCCCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167967 845332523 /nfs/dbraw/zinc/33/25/23/845332523.db2.gz ODOHVEGAFCPRSG-HUUCEWRRSA-N 0 3 350.423 0.997 20 5 FCBDHN CCn1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)nn1 ZINC001115530600 846561126 /nfs/dbraw/zinc/56/11/26/846561126.db2.gz GYSSLVDYIOLUSQ-ZIAGYGMSSA-N 0 3 350.423 0.872 20 5 FCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC001118763308 847573915 /nfs/dbraw/zinc/57/39/15/847573915.db2.gz IRUZHSKZAJCXRA-UHFFFAOYSA-N 0 3 367.391 0.493 20 5 FCBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001121664580 848380226 /nfs/dbraw/zinc/38/02/26/848380226.db2.gz ZCGYIEHBHJESNM-CQSZACIVSA-N 0 3 352.439 0.666 20 5 FCBDHN Cn1cc(Br)c(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767057 849991587 /nfs/dbraw/zinc/99/15/87/849991587.db2.gz FXXDPXCBFXCKCD-LDYMZIIASA-N 0 3 360.212 0.444 20 5 FCBDHN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170321892 850651208 /nfs/dbraw/zinc/65/12/08/850651208.db2.gz DOIGHBJBVGECCL-QWRGUYRKSA-N 0 3 353.375 0.802 20 5 FCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NC2(CO)COC2)CC1 ZINC001173691961 850732885 /nfs/dbraw/zinc/73/28/85/850732885.db2.gz WUWVNUVEDPNRHS-UHFFFAOYSA-N 0 3 371.415 0.099 20 5 FCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273792 866405968 /nfs/dbraw/zinc/40/59/68/866405968.db2.gz OFEPAFYCEHJCQD-NEPJUHHUSA-N 0 3 368.415 0.551 20 5 FCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273798 866406206 /nfs/dbraw/zinc/40/62/06/866406206.db2.gz OFEPAFYCEHJCQD-VXGBXAGGSA-N 0 3 368.415 0.551 20 5 FCBDHN CN(C[C@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000293322442 214164784 /nfs/dbraw/zinc/16/47/84/214164784.db2.gz XOLUKMZEYRVTCC-HNNXBMFYSA-N 0 3 362.430 0.808 20 5 FCBDHN CN(CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160264993 529834551 /nfs/dbraw/zinc/83/45/51/529834551.db2.gz SYISSQKAOXHSTK-CQSZACIVSA-N 0 3 350.419 0.994 20 5 FCBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000188076695 529958445 /nfs/dbraw/zinc/95/84/45/529958445.db2.gz CQQUHTXNMSYQNE-SFHVURJKSA-N 0 3 373.413 0.887 20 5 FCBDHN CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290013266 213922076 /nfs/dbraw/zinc/92/20/76/213922076.db2.gz QMBOWLRVNIJLNN-VXGBXAGGSA-N 0 3 370.431 0.377 20 5 FCBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000188076288 529973664 /nfs/dbraw/zinc/97/36/64/529973664.db2.gz NVCZJJPUPZWHDM-GOSISDBHSA-N 0 3 373.413 0.887 20 5 FCBDHN CC(C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000264919236 210016014 /nfs/dbraw/zinc/01/60/14/210016014.db2.gz PIPUJSFAWZFLJQ-HNNXBMFYSA-N 0 3 352.439 0.570 20 5 FCBDHN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262725935 209644897 /nfs/dbraw/zinc/64/48/97/209644897.db2.gz AEJPWYBBEOMQJN-VHSXEESVSA-N 0 3 357.388 0.772 20 5 FCBDHN COc1c(F)cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192922993 209307371 /nfs/dbraw/zinc/30/73/71/209307371.db2.gz XBDDQKSPPYDXLH-AOOOYVTPSA-N 0 3 359.379 0.925 20 5 FCBDHN O=Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150138 216355111 /nfs/dbraw/zinc/35/51/11/216355111.db2.gz HMPCGBJSZYQRTK-UONOGXRCSA-N 0 3 363.370 0.766 20 5 FCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185876918 209184103 /nfs/dbraw/zinc/18/41/03/209184103.db2.gz NQXNBJSIIOVKBH-ZDUSSCGKSA-N 0 3 353.427 0.117 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000275478741 212035668 /nfs/dbraw/zinc/03/56/68/212035668.db2.gz QBRUVCDEIUNCKT-CYBMUJFWSA-N 0 3 366.418 0.930 20 5 FCBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000424359438 247197373 /nfs/dbraw/zinc/19/73/73/247197373.db2.gz CTIWXBYEKXVYRT-NXEZZACHSA-N 0 3 357.388 0.914 20 5 FCBDHN COc1ccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424452189 247221122 /nfs/dbraw/zinc/22/11/22/247221122.db2.gz GVGBJHGXFCWACA-UONOGXRCSA-N 0 3 374.401 0.973 20 5 FCBDHN CN1C(=O)NCC12CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000425547284 247350181 /nfs/dbraw/zinc/35/01/81/247350181.db2.gz VBIYPHINHRHXRQ-CYBMUJFWSA-N 0 3 364.402 0.824 20 5 FCBDHN CCOC(=O)c1cc(S(=O)(=O)N(C)CCNC)cc([N+](=O)[O-])c1C ZINC000440829360 248217570 /nfs/dbraw/zinc/21/75/70/248217570.db2.gz AWBRTLXEHGGOGD-UHFFFAOYSA-N 0 3 359.404 0.920 20 5 FCBDHN C[C@@H](Cc1cnccn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000453091106 249343534 /nfs/dbraw/zinc/34/35/34/249343534.db2.gz PDZWGLWEXMUPRY-LBPRGKRZSA-N 0 3 365.415 0.884 20 5 FCBDHN CN1CCC(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471397067 250100636 /nfs/dbraw/zinc/10/06/36/250100636.db2.gz SMZKLWKQQQUVMU-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000481808759 250363347 /nfs/dbraw/zinc/36/33/47/250363347.db2.gz DHAIZGIMMZSVBO-KRWDZBQOSA-N 0 3 359.386 0.695 20 5 FCBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266531435 210352157 /nfs/dbraw/zinc/35/21/57/210352157.db2.gz MDHFAVPKORASIG-GXTWGEPZSA-N 0 3 369.422 0.999 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)CCOCC(F)(F)F)c1 ZINC000266510142 210347535 /nfs/dbraw/zinc/34/75/35/210347535.db2.gz DDJVDPXPWYTRHM-NSHDSACASA-N 0 3 356.301 0.025 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)CCOCC(F)(F)F)c1 ZINC000266510141 210347290 /nfs/dbraw/zinc/34/72/90/210347290.db2.gz DDJVDPXPWYTRHM-LLVKDONJSA-N 0 3 356.301 0.025 20 5 FCBDHN Nc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176473633 209005340 /nfs/dbraw/zinc/00/53/40/209005340.db2.gz TVYJMAFZOXTDRQ-UHFFFAOYSA-N 0 3 361.402 0.557 20 5 FCBDHN CCN1CCN(CCNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000031784587 487764511 /nfs/dbraw/zinc/76/45/11/487764511.db2.gz JCWDOGBGCVZZIU-UHFFFAOYSA-N 0 3 371.463 0.552 20 5 FCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000268214810 488397175 /nfs/dbraw/zinc/39/71/75/488397175.db2.gz PIMNVVUTUSFVKE-MFKMUULPSA-N 0 3 372.381 0.790 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185279300 488399969 /nfs/dbraw/zinc/39/99/69/488399969.db2.gz WPJUBSLQAAYWPS-LBPRGKRZSA-N 0 3 350.423 0.575 20 5 FCBDHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000569845309 491198181 /nfs/dbraw/zinc/19/81/81/491198181.db2.gz GWQSBRJKMFOTGU-NWDGAFQWSA-N 0 3 370.431 0.377 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000268847637 488453258 /nfs/dbraw/zinc/45/32/58/488453258.db2.gz PZNSNZURRPGYSG-CYBMUJFWSA-N 0 3 360.374 0.874 20 5 FCBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569867940 491200082 /nfs/dbraw/zinc/20/00/82/491200082.db2.gz QEAVCZLDRWHCAL-GXFFZTMASA-N 0 3 357.370 0.900 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488568 488497759 /nfs/dbraw/zinc/49/77/59/488497759.db2.gz QLEFLDSNSWAOAZ-CYBMUJFWSA-N 0 3 352.439 0.669 20 5 FCBDHN [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262264147 488560025 /nfs/dbraw/zinc/56/00/25/488560025.db2.gz GXHQQWNGOQXNTK-VXGBXAGGSA-N 0 3 370.431 0.507 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272189736 488567303 /nfs/dbraw/zinc/56/73/03/488567303.db2.gz JZJWURKNMFCKIP-UHFFFAOYSA-N 0 3 350.375 0.691 20 5 FCBDHN [NH3+]C1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000262494056 488573300 /nfs/dbraw/zinc/57/33/00/488573300.db2.gz YNZVUNAQNARWBG-UHFFFAOYSA-N 0 3 356.404 0.261 20 5 FCBDHN C[C@H](Cn1cccn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122294583 488577229 /nfs/dbraw/zinc/57/72/29/488577229.db2.gz GIQXWFCWAZVXMK-GFCCVEGCSA-N 0 3 353.404 0.748 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000262567240 488578173 /nfs/dbraw/zinc/57/81/73/488578173.db2.gz RXOSFOFRBAYOMZ-UHFFFAOYSA-N 0 3 371.415 0.386 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272421785 488579750 /nfs/dbraw/zinc/57/97/50/488579750.db2.gz HMPUOGJVMCRJRI-ZIAGYGMSSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272421785 488579752 /nfs/dbraw/zinc/57/97/52/488579752.db2.gz HMPUOGJVMCRJRI-ZIAGYGMSSA-N 0 3 359.386 0.931 20 5 FCBDHN Cc1c(C(=O)N2C[C@@H](C)NC[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000272546478 488587650 /nfs/dbraw/zinc/58/76/50/488587650.db2.gz KCSAJFCMYGIGGA-RKDXNWHRSA-N 0 3 356.404 0.373 20 5 FCBDHN COCCNCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000262784104 488593292 /nfs/dbraw/zinc/59/32/92/488593292.db2.gz PSNFWGVJAGCCMO-UHFFFAOYSA-N 0 3 351.356 0.257 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC1=CC[NH2+]CC1)OCCO2 ZINC000262817765 488595025 /nfs/dbraw/zinc/59/50/25/488595025.db2.gz ZWYPOLAIAXAJTB-UHFFFAOYSA-N 0 3 355.372 0.564 20 5 FCBDHN C[C@H]1NCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262889467 488598080 /nfs/dbraw/zinc/59/80/80/488598080.db2.gz WUZCQAQLXWVKEY-NEPJUHHUSA-N 0 3 370.431 0.424 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129354491 488630265 /nfs/dbraw/zinc/63/02/65/488630265.db2.gz PPJKPZBMYVVZKJ-WBVHZDCISA-N 0 3 365.430 0.989 20 5 FCBDHN NS(=O)(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000263938211 488636913 /nfs/dbraw/zinc/63/69/13/488636913.db2.gz DHTMJVAAOWKHSP-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000131689324 488648262 /nfs/dbraw/zinc/64/82/62/488648262.db2.gz IUFSHIAAFSYUBT-UHFFFAOYSA-N 0 3 360.374 0.608 20 5 FCBDHN C[C@H](CN1CCOCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570003772 491209873 /nfs/dbraw/zinc/20/98/73/491209873.db2.gz BRGYQGPNGOKNLR-CYBMUJFWSA-N 0 3 357.432 0.679 20 5 FCBDHN CN1CCN(CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273484577 488654163 /nfs/dbraw/zinc/65/41/63/488654163.db2.gz NPZQMMUWRLECOO-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN Cc1c(C(=O)NC[C@H]2CCCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266827393 488734901 /nfs/dbraw/zinc/73/49/01/488734901.db2.gz JZSZDRARTWICOB-SNVBAGLBSA-N 0 3 356.404 0.375 20 5 FCBDHN CS[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275175962 488769201 /nfs/dbraw/zinc/76/92/01/488769201.db2.gz XXENBOYDZBUYII-UKRRQHHQSA-N 0 3 366.443 0.795 20 5 FCBDHN O=C(NCC1CCN(CCO)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000160658874 488793190 /nfs/dbraw/zinc/79/31/90/488793190.db2.gz WDTRRAPPWNQHJE-UHFFFAOYSA-N 0 3 374.397 0.870 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277978088 488795415 /nfs/dbraw/zinc/79/54/15/488795415.db2.gz FQLYXMCYJDMMQG-LLVKDONJSA-N 0 3 362.390 0.991 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290036384 489109785 /nfs/dbraw/zinc/10/97/85/489109785.db2.gz UJVZIVIDGRYHHC-CQSZACIVSA-N 0 3 350.375 0.524 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290603727 489152609 /nfs/dbraw/zinc/15/26/09/489152609.db2.gz ZGWXXLGNAVTIPY-LBPRGKRZSA-N 0 3 350.423 0.774 20 5 FCBDHN CN(C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760020 489163715 /nfs/dbraw/zinc/16/37/15/489163715.db2.gz JYTVTZUXPZTASC-YOEHRIQHSA-N 0 3 362.386 0.817 20 5 FCBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CN2CCN1CCC2 ZINC000362079219 489374653 /nfs/dbraw/zinc/37/46/53/489374653.db2.gz OZUVXVLWIWHIBE-OAHLLOKOSA-N 0 3 356.386 1.313 20 5 FCBDHN CNS(=O)(=O)c1ccc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000299460516 489444284 /nfs/dbraw/zinc/44/42/84/489444284.db2.gz XGNHFJFGVGHYOX-UHFFFAOYSA-N 0 3 371.463 0.552 20 5 FCBDHN Cc1n[n-]c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000299518171 489450220 /nfs/dbraw/zinc/45/02/20/489450220.db2.gz AANVVLLCLKJUSY-UHFFFAOYSA-N 0 3 359.390 0.703 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000563551474 491254851 /nfs/dbraw/zinc/25/48/51/491254851.db2.gz ZMSSTQHRBHVJCI-KBPBESRZSA-N 0 3 373.413 0.579 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359653 489480386 /nfs/dbraw/zinc/48/03/86/489480386.db2.gz KXGVFVVGOAYYDY-GXTWGEPZSA-N 0 3 364.450 0.978 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359653 489480389 /nfs/dbraw/zinc/48/03/89/489480389.db2.gz KXGVFVVGOAYYDY-GXTWGEPZSA-N 0 3 364.450 0.978 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N[C@H](CN)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000415453300 489522181 /nfs/dbraw/zinc/52/21/81/489522181.db2.gz MWJSVENYKXJTBZ-GFCCVEGCSA-N 0 3 364.358 0.482 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000563712241 491264974 /nfs/dbraw/zinc/26/49/74/491264974.db2.gz CDECSOMHCKGLMM-ZDUSSCGKSA-N 0 3 364.450 1.035 20 5 FCBDHN C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000570846284 491269391 /nfs/dbraw/zinc/26/93/91/491269391.db2.gz UWTZGTPKCCXGAZ-WDEREUQCSA-N 0 3 356.404 0.069 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000469363958 489703238 /nfs/dbraw/zinc/70/32/38/489703238.db2.gz NRTDHXWAFONOHI-MFKMUULPSA-N 0 3 371.415 0.952 20 5 FCBDHN COC(=O)COc1ccc(CN[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000474344211 489756131 /nfs/dbraw/zinc/75/61/31/489756131.db2.gz HLSLDSVGMWKWKZ-CYBMUJFWSA-N 0 3 367.402 0.957 20 5 FCBDHN CN(CCN(C)C1CC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000474570545 489769888 /nfs/dbraw/zinc/76/98/88/489769888.db2.gz PWVOYEBFICVJCY-UHFFFAOYSA-N 0 3 362.386 0.873 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(O)CCN(C)CC1 ZINC000474985202 489798920 /nfs/dbraw/zinc/79/89/20/489798920.db2.gz SWMKVAJQOLNSKK-GFCCVEGCSA-N 0 3 368.438 0.400 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)cc1[N+](=O)[O-] ZINC000418954035 489803881 /nfs/dbraw/zinc/80/38/81/489803881.db2.gz WZLFVFZZDJDQKR-RISCZKNCSA-N 0 3 364.402 0.805 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000432543752 489847179 /nfs/dbraw/zinc/84/71/79/489847179.db2.gz ACDNCZZILFJDID-UHFFFAOYSA-N 0 3 368.409 0.854 20 5 FCBDHN CN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494131749 489871514 /nfs/dbraw/zinc/87/15/14/489871514.db2.gz IQONBHAGTAJYFY-AWEZNQCLSA-N 0 3 370.431 0.426 20 5 FCBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000419979025 489871824 /nfs/dbraw/zinc/87/18/24/489871824.db2.gz PAZWNVIVYBEDLH-GFCCVEGCSA-N 0 3 366.422 0.444 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000433206293 489872347 /nfs/dbraw/zinc/87/23/47/489872347.db2.gz GTKHEVVFDAIIAB-ZBEGNZNMSA-N 0 3 354.359 0.776 20 5 FCBDHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494754468 489911450 /nfs/dbraw/zinc/91/14/50/489911450.db2.gz YIMGCXXURQKCED-CQSZACIVSA-N 0 3 370.431 0.937 20 5 FCBDHN C[C@H]1NCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000434710571 489950700 /nfs/dbraw/zinc/95/07/00/489950700.db2.gz YHLDUKQEIIOTQR-VXGBXAGGSA-N 0 3 370.431 0.472 20 5 FCBDHN O=C(NC[C@@H]1CCCN(C(=O)c2n[n-]cc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000495723840 490090062 /nfs/dbraw/zinc/09/00/62/490090062.db2.gz KDXZXLLQPMIKFW-QWRGUYRKSA-N 0 3 350.379 0.038 20 5 FCBDHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571359399 491303174 /nfs/dbraw/zinc/30/31/74/491303174.db2.gz MRZRCDMMLBZSGZ-BBRMVZONSA-N 0 3 368.386 0.580 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462881 490164006 /nfs/dbraw/zinc/16/40/06/490164006.db2.gz PZKAEACAAWGGKL-WCQYABFASA-N 0 3 350.423 0.724 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462881 490164012 /nfs/dbraw/zinc/16/40/12/490164012.db2.gz PZKAEACAAWGGKL-WCQYABFASA-N 0 3 350.423 0.724 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000407990985 490195882 /nfs/dbraw/zinc/19/58/82/490195882.db2.gz RKJBOCKGOXQBKO-NEPJUHHUSA-N 0 3 357.436 0.916 20 5 FCBDHN CCCC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000497716288 490201115 /nfs/dbraw/zinc/20/11/15/490201115.db2.gz YISBPEQMLLRSPX-ZDUSSCGKSA-N 0 3 358.420 0.507 20 5 FCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2CS(=O)(=O)CCO2)n1 ZINC000447580371 490244696 /nfs/dbraw/zinc/24/46/96/490244696.db2.gz OGHUMMCSMQIZQU-FRRDWIJNSA-N 0 3 358.420 0.678 20 5 FCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCNc1ccncc1 ZINC000533809480 490284334 /nfs/dbraw/zinc/28/43/34/490284334.db2.gz GPOPGYPVRHKTHM-UHFFFAOYSA-N 0 3 357.370 0.760 20 5 FCBDHN C[C@](O)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000467476145 490296746 /nfs/dbraw/zinc/29/67/46/490296746.db2.gz GKRSXWRGINVHQS-INIZCTEOSA-N 0 3 363.374 0.284 20 5 FCBDHN COC(=O)c1cc(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000467478982 490296831 /nfs/dbraw/zinc/29/68/31/490296831.db2.gz WEFHITVZAJSKFV-UHFFFAOYSA-N 0 3 351.359 0.568 20 5 FCBDHN NS(=O)(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000534140964 490325104 /nfs/dbraw/zinc/32/51/04/490325104.db2.gz LLBONGPQCHLLFZ-UHFFFAOYSA-N 0 3 370.431 0.924 20 5 FCBDHN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CN2CCN1CCC2 ZINC000534272984 490337946 /nfs/dbraw/zinc/33/79/46/490337946.db2.gz PPXXFVICPFBWEZ-ZDUSSCGKSA-N 0 3 357.374 0.708 20 5 FCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534665241 490394337 /nfs/dbraw/zinc/39/43/37/490394337.db2.gz TYGKZJHRAAPSPM-UHFFFAOYSA-N 0 3 353.423 0.053 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000411357482 490438151 /nfs/dbraw/zinc/43/81/51/490438151.db2.gz ROLFYAHTCHXJAE-MRXNPFEDSA-N 0 3 350.375 0.333 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000411513993 490475733 /nfs/dbraw/zinc/47/57/33/490475733.db2.gz WDHPQZIODDVSDE-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FCBDHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000422829801 490481064 /nfs/dbraw/zinc/48/10/64/490481064.db2.gz UXRPJFXHLMTUSJ-GHMZBOCLSA-N 0 3 356.404 0.082 20 5 FCBDHN C[C@H](C[C@H]1COCCN1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034869 490525551 /nfs/dbraw/zinc/52/55/51/490525551.db2.gz IRABTKKMBUPLEJ-OLZOCXBDSA-N 0 3 357.432 0.725 20 5 FCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524272611 490528645 /nfs/dbraw/zinc/52/86/45/490528645.db2.gz FMBSPIXFKZLHJJ-GFCCVEGCSA-N 0 3 370.431 0.461 20 5 FCBDHN CCc1nn(C)c(NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000536707344 490609571 /nfs/dbraw/zinc/60/95/71/490609571.db2.gz IGSAGKXIGKAICP-UHFFFAOYSA-N 0 3 354.455 0.693 20 5 FCBDHN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCN(C)C ZINC000556902104 491343121 /nfs/dbraw/zinc/34/31/21/491343121.db2.gz PTBRPKREUGYSGU-GFCCVEGCSA-N 0 3 374.401 0.577 20 5 FCBDHN COC(=O)c1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869128 490677261 /nfs/dbraw/zinc/67/72/61/490677261.db2.gz PDCFITHLIOLCBM-INIZCTEOSA-N 0 3 366.374 0.878 20 5 FCBDHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000502144082 490681878 /nfs/dbraw/zinc/68/18/78/490681878.db2.gz RKECQLNHZGVCQP-QWHCGFSZSA-N 0 3 360.461 0.724 20 5 FCBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000502855163 490725475 /nfs/dbraw/zinc/72/54/75/490725475.db2.gz JVWLKIFAKRHTDX-NXEZZACHSA-N 0 3 364.358 0.766 20 5 FCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517083886 490894414 /nfs/dbraw/zinc/89/44/14/490894414.db2.gz BCMYQVYGJCZHBB-AWEZNQCLSA-N 0 3 352.391 0.326 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240248 491363777 /nfs/dbraw/zinc/36/37/77/491363777.db2.gz UAAQARURAJBTMG-ONGXEEELSA-N 0 3 372.303 0.998 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000518030896 490928552 /nfs/dbraw/zinc/92/85/52/490928552.db2.gz YZVPPEORYOAJCF-CYBMUJFWSA-N 0 3 364.402 0.886 20 5 FCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000569516600 491165396 /nfs/dbraw/zinc/16/53/96/491165396.db2.gz RISCIERGQYRQEE-LLVKDONJSA-N 0 3 370.431 0.565 20 5 FCBDHN Cn1c(=O)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000572870450 491399129 /nfs/dbraw/zinc/39/91/29/491399129.db2.gz PUVCKABXYITJSB-OAHLLOKOSA-N 0 3 357.370 0.794 20 5 FCBDHN CS(=O)(=O)N1CCC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573084487 491411308 /nfs/dbraw/zinc/41/13/08/491411308.db2.gz XYIMVZVFLHWFQG-JSGCOSHPSA-N 0 3 373.431 0.348 20 5 FCBDHN COc1ccc([C@H]2OCC[C@@H]2NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000566132473 491419477 /nfs/dbraw/zinc/41/94/77/491419477.db2.gz RWMAHHKKZYPCOW-OFQRWUPVSA-N 0 3 363.374 0.676 20 5 FCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000566201052 491425499 /nfs/dbraw/zinc/42/54/99/491425499.db2.gz SKIWOAPJIITKDF-UHFFFAOYSA-N 0 3 372.389 0.949 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558752973 491445246 /nfs/dbraw/zinc/44/52/46/491445246.db2.gz BQOQBRZUSUVQRN-UKRRQHHQSA-N 0 3 359.386 0.931 20 5 FCBDHN COc1cc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000566490929 491447521 /nfs/dbraw/zinc/44/75/21/491447521.db2.gz LVTDDXXMIHSVEB-VXGBXAGGSA-N 0 3 350.375 0.356 20 5 FCBDHN NCc1cn([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)nn1 ZINC000574038893 491470256 /nfs/dbraw/zinc/47/02/56/491470256.db2.gz ANMJUEQMGFIUCF-NSHDSACASA-N 0 3 363.353 0.844 20 5 FCBDHN CN(C)CCn1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000567177062 491490498 /nfs/dbraw/zinc/49/04/98/491490498.db2.gz YPIJBTMUTYRDBF-UHFFFAOYSA-N 0 3 373.417 0.710 20 5 FCBDHN CC(C)[NH2+]CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574396898 491492950 /nfs/dbraw/zinc/49/29/50/491492950.db2.gz LYNIJPWYLHRHTJ-UHFFFAOYSA-N 0 3 358.420 0.377 20 5 FCBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000567680806 491522569 /nfs/dbraw/zinc/52/25/69/491522569.db2.gz FUISSRYKURTDLC-ZDUSSCGKSA-N 0 3 361.358 0.144 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000567707588 491524202 /nfs/dbraw/zinc/52/42/02/491524202.db2.gz YXDHQESMJYKFRC-NEPJUHHUSA-N 0 3 367.328 0.005 20 5 FCBDHN CN(C)[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000575427334 491553883 /nfs/dbraw/zinc/55/38/83/491553883.db2.gz PJAKXGRWIGOFLY-KBPBESRZSA-N 0 3 350.375 0.500 20 5 FCBDHN COc1cc(C(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000568870808 491615899 /nfs/dbraw/zinc/61/58/99/491615899.db2.gz IXDYTYJXDTYEQG-MRVPVSSYSA-N 0 3 361.301 0.923 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccc(F)cc1 ZINC000569095853 491632782 /nfs/dbraw/zinc/63/27/82/491632782.db2.gz MQCQOIFINUUMBG-CABCVRRESA-N 0 3 363.349 0.686 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(N3CCOCC3)n2)c1 ZINC000569096595 491633494 /nfs/dbraw/zinc/63/34/94/491633494.db2.gz FSOIXQWEGDWAKA-HNNXBMFYSA-N 0 3 362.390 0.174 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569356566 491655655 /nfs/dbraw/zinc/65/56/55/491655655.db2.gz GAJCPCJGQVCTHL-QWHCGFSZSA-N 0 3 368.415 0.090 20 5 FCBDHN C[C@@H]1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1ccccc1 ZINC000578859617 491685867 /nfs/dbraw/zinc/68/58/67/491685867.db2.gz RATAOYOXEPEHGH-WQVCFCJDSA-N 0 3 359.386 0.936 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580423273 491730418 /nfs/dbraw/zinc/73/04/18/491730418.db2.gz MGWULGGKIURUIG-GFCCVEGCSA-N 0 3 370.431 0.937 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCN2CCOCC2)cc1 ZINC000580426094 491730908 /nfs/dbraw/zinc/73/09/08/491730908.db2.gz NIKJZTBOSVUTPP-UHFFFAOYSA-N 0 3 357.432 0.680 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C ZINC000581499872 491775573 /nfs/dbraw/zinc/77/55/73/491775573.db2.gz VLNKSLJLKLTTLJ-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590550938 491778920 /nfs/dbraw/zinc/77/89/20/491778920.db2.gz UJEQLFGUCLGWIY-SNVBAGLBSA-N 0 3 360.208 0.939 20 5 FCBDHN CN(C)CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000581842018 491787409 /nfs/dbraw/zinc/78/74/09/491787409.db2.gz OBZXYBHJJDWHJZ-UHFFFAOYSA-N 0 3 350.375 0.643 20 5 FCBDHN C[C@@H]1CC[N@H+](CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583793151 491851990 /nfs/dbraw/zinc/85/19/90/491851990.db2.gz CFANPPWEHFYOOJ-GFCCVEGCSA-N 0 3 370.431 0.331 20 5 FCBDHN C[C@@H]1CC[N@@H+](CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583793151 491851991 /nfs/dbraw/zinc/85/19/91/491851991.db2.gz CFANPPWEHFYOOJ-GFCCVEGCSA-N 0 3 370.431 0.331 20 5 FCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1NC(C)=O ZINC000584286861 491862220 /nfs/dbraw/zinc/86/22/20/491862220.db2.gz KWPHJIUHYXUIIE-CQSZACIVSA-N 0 3 363.374 0.909 20 5 FCBDHN CCOc1ccc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000584299476 491862619 /nfs/dbraw/zinc/86/26/19/491862619.db2.gz LQQFLBKHWPMYEL-GJZGRUSLSA-N 0 3 352.391 0.539 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875263 491869316 /nfs/dbraw/zinc/86/93/16/491869316.db2.gz GYOIVJTXTKLKOC-UONOGXRCSA-N 0 3 361.402 0.476 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccncc2)CC1 ZINC000611740052 491871798 /nfs/dbraw/zinc/87/17/98/491871798.db2.gz RBGWFNLMUMWNGK-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN C[C@@H](Cn1cncn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595012964 491878057 /nfs/dbraw/zinc/87/80/57/491878057.db2.gz GWSSDCFXQSWGRH-NSHDSACASA-N 0 3 354.392 0.143 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601184112 491898660 /nfs/dbraw/zinc/89/86/60/491898660.db2.gz HKTWFBBELSPYTH-NWDGAFQWSA-N 0 3 354.432 0.891 20 5 FCBDHN COc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595263621 491908858 /nfs/dbraw/zinc/90/88/58/491908858.db2.gz HTEGBGFBKANODU-UHFFFAOYSA-N 0 3 362.346 0.557 20 5 FCBDHN NCC12CC(C1)CN2C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595279543 491912123 /nfs/dbraw/zinc/91/21/23/491912123.db2.gz MUPPHLJKRRXCOX-UHFFFAOYSA-N 0 3 358.358 0.037 20 5 FCBDHN COC1CCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596160400 491977783 /nfs/dbraw/zinc/97/77/83/491977783.db2.gz VDIBJCVOSHDXHT-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000596179790 491978743 /nfs/dbraw/zinc/97/87/43/491978743.db2.gz QPVUDAWMZURGFC-NEPJUHHUSA-N 0 3 360.461 0.724 20 5 FCBDHN CN1CCC(CNc2ccc(N)c([N+](=O)[O-])n2)(N2CCOCC2)CC1 ZINC000596270452 491981732 /nfs/dbraw/zinc/98/17/32/491981732.db2.gz MPJJCCLLKYQHHT-UHFFFAOYSA-N 0 3 350.423 0.781 20 5 FCBDHN O=[N+]([O-])c1ccn(CCN(CCN2CCOCC2)[C@@H]2CCSC2)n1 ZINC000602882703 492002516 /nfs/dbraw/zinc/00/25/16/492002516.db2.gz OYVMYQJHBXTYJX-CQSZACIVSA-N 0 3 355.464 0.931 20 5 FCBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000597653923 492056596 /nfs/dbraw/zinc/05/65/96/492056596.db2.gz OKHUFMAGOUHWGE-LLVKDONJSA-N 0 3 357.432 0.986 20 5 FCBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598184639 492088056 /nfs/dbraw/zinc/08/80/56/492088056.db2.gz GEJZCXQAUMIVQK-UHFFFAOYSA-N 0 3 354.411 0.533 20 5 FCBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598184639 492088057 /nfs/dbraw/zinc/08/80/57/492088057.db2.gz GEJZCXQAUMIVQK-UHFFFAOYSA-N 0 3 354.411 0.533 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000599530847 492183806 /nfs/dbraw/zinc/18/38/06/492183806.db2.gz AITZQQKPTANGJF-RYUDHWBXSA-N 0 3 353.375 0.465 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(CN)CCOCC1 ZINC000599898461 492215787 /nfs/dbraw/zinc/21/57/87/492215787.db2.gz WPJVRCXUGGGFSH-UHFFFAOYSA-N 0 3 366.374 0.556 20 5 FCBDHN CN1CCN(C(=O)CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566843 492231955 /nfs/dbraw/zinc/23/19/55/492231955.db2.gz HTGRCAHHDBTXFU-KBPBESRZSA-N 0 3 350.423 0.639 20 5 FCBDHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(C)C1 ZINC000610187768 492236952 /nfs/dbraw/zinc/23/69/52/492236952.db2.gz HBSLNYCIAVOZSR-CYBMUJFWSA-N 0 3 362.386 0.873 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611527852 492289618 /nfs/dbraw/zinc/28/96/18/492289618.db2.gz QZQGLFUNLLJWLE-AWEZNQCLSA-N 0 3 361.402 0.731 20 5 FCBDHN CN1C[C@@H]2CCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425050669 536487942 /nfs/dbraw/zinc/48/79/42/536487942.db2.gz RQWXDGJHXNYTIN-SWLSCSKDSA-N 0 3 374.397 0.873 20 5 FCBDHN COc1ccc(NC(=O)CN2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000424285556 536771401 /nfs/dbraw/zinc/77/14/01/536771401.db2.gz FTXLODJBXAELOV-UONOGXRCSA-N 0 3 374.401 0.702 20 5 FCBDHN CN(C1CNC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592389146 546637884 /nfs/dbraw/zinc/63/78/84/546637884.db2.gz IBSNWYDFHODDHZ-UHFFFAOYSA-N 0 3 350.194 0.950 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCN2CCC(O)CC2)cc1 ZINC000592430475 546949363 /nfs/dbraw/zinc/94/93/63/546949363.db2.gz SWAWMHCQQHIAMR-UHFFFAOYSA-N 0 3 371.459 0.805 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@@]2(O)CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000552205888 547324932 /nfs/dbraw/zinc/32/49/32/547324932.db2.gz CYCGROWAJUHFPW-MRXNPFEDSA-N 0 3 351.407 0.371 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000594295046 547369686 /nfs/dbraw/zinc/36/96/86/547369686.db2.gz KLAYZKYATGKOHW-GFCCVEGCSA-N 0 3 350.423 0.787 20 5 FCBDHN C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419496 599302672 /nfs/dbraw/zinc/30/26/72/599302672.db2.gz HCZKSAATFCGPIM-QMTHXVAHSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419496 599302675 /nfs/dbraw/zinc/30/26/75/599302675.db2.gz HCZKSAATFCGPIM-QMTHXVAHSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419495 599303137 /nfs/dbraw/zinc/30/31/37/599303137.db2.gz HCZKSAATFCGPIM-IINYFYTJSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419495 599303139 /nfs/dbraw/zinc/30/31/39/599303139.db2.gz HCZKSAATFCGPIM-IINYFYTJSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824570922 608491802 /nfs/dbraw/zinc/49/18/02/608491802.db2.gz OQKVVRJYMRAPJG-HZMBPMFUSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570922 608491804 /nfs/dbraw/zinc/49/18/04/608491804.db2.gz OQKVVRJYMRAPJG-HZMBPMFUSA-N 0 3 358.362 0.683 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CN(Cc3nncs3)C[C@H]2CC1 ZINC000946589327 667669105 /nfs/dbraw/zinc/66/91/05/667669105.db2.gz SIYODOFOOXRSOC-YVECIDJPSA-N 0 3 351.432 0.874 20 5 FCBDHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826985454 669530721 /nfs/dbraw/zinc/53/07/21/669530721.db2.gz HBFRQLOSCGXVLR-HOTGVXAUSA-N 0 3 369.443 0.965 20 5 FCBDHN CC(COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813108111 669827593 /nfs/dbraw/zinc/82/75/93/669827593.db2.gz VGZACEREQFRZNO-SECBINFHSA-N 0 3 361.332 0.472 20 5 FCBDHN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842483615 670694728 /nfs/dbraw/zinc/69/47/28/670694728.db2.gz PEHFOCUGWFRKFI-SECBINFHSA-N 0 3 374.375 0.040 20 5 FCBDHN Cc1nn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)n1C ZINC000847737303 671221162 /nfs/dbraw/zinc/22/11/62/671221162.db2.gz NELFEVLTLFLWAH-LKFCYVNXSA-N 0 3 352.322 0.979 20 5 FCBDHN Cc1cc2cn[nH]c2c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000976483993 1185958050 /nfs/dbraw/zinc/95/80/50/1185958050.db2.gz OUCJYJBZHMXBJE-WPEGABGTSA-N 0 3 369.381 0.723 20 5 FCBDHN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000976483993 1185958065 /nfs/dbraw/zinc/95/80/65/1185958065.db2.gz OUCJYJBZHMXBJE-WPEGABGTSA-N 0 3 369.381 0.723 20 5 FCBDHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813102431 1202990024 /nfs/dbraw/zinc/99/00/24/1202990024.db2.gz RLKZVCKTDKWBMB-HWPZZCPQSA-N 0 3 365.342 0.671 20 5 FCBDHN Cc1ccc(N2CC[C@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000819102563 1203150061 /nfs/dbraw/zinc/15/00/61/1203150061.db2.gz LOJZDANYMMPYPX-CVEARBPZSA-N 0 3 359.386 0.856 20 5 FCBDHN Cn1nnnc1CNCCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313898 1206335470 /nfs/dbraw/zinc/33/54/70/1206335470.db2.gz VOXWKDWICNGZTN-ZIAGYGMSSA-N 0 3 365.438 0.374 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@@H]3CO2)ncnc1N1CCOCC1 ZINC000856726428 1209726350 /nfs/dbraw/zinc/72/63/50/1209726350.db2.gz GJVDETOUCOJVIV-OLZOCXBDSA-N 0 3 364.406 0.497 20 5 FCBDHN Cc1nocc1CN1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949092218 1212288971 /nfs/dbraw/zinc/28/89/71/1212288971.db2.gz QLTNNGFELVSZNG-HUUCEWRRSA-N 0 3 364.402 0.842 20 5 FCBDHN Cn1cncc1CN1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949092193 1212289517 /nfs/dbraw/zinc/28/95/17/1212289517.db2.gz PWMRCQLDPUCIJL-HUUCEWRRSA-N 0 3 363.418 0.279 20 5 FCBDHN O=C(NCC1CCN(C(=O)c2ccn3cncc3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949198855 1212321940 /nfs/dbraw/zinc/32/19/40/1212321940.db2.gz ZNTSEEIBYPILRW-HZPDHXFCSA-N 0 3 371.397 0.968 20 5 FCBDHN CN(C(=O)c1cnn(-c2ccncc2)c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955123207 1213134260 /nfs/dbraw/zinc/13/42/60/1213134260.db2.gz YZRUFZIIQGOXIE-HUUCEWRRSA-N 0 3 370.369 0.215 20 5 FCBDHN Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3CC2)n[nH]1 ZINC000967323383 1215230561 /nfs/dbraw/zinc/23/05/61/1215230561.db2.gz CTQASJPWZYHGAW-QVHKTLOISA-N 0 3 361.402 0.694 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccccc1 ZINC001055501650 1219061390 /nfs/dbraw/zinc/06/13/90/1219061390.db2.gz GBTPVYRJDKHTSO-HZPDHXFCSA-N 0 3 360.414 0.662 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001120718531 1222117812 /nfs/dbraw/zinc/11/78/12/1222117812.db2.gz ZZPXIVIXYQZXAQ-ZDUSSCGKSA-N 0 3 362.386 0.544 20 5 FCBDHN O=C(CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001160097435 1223145065 /nfs/dbraw/zinc/14/50/65/1223145065.db2.gz IXRVSPTZUYYJDO-HZPDHXFCSA-N 0 3 364.446 0.803 20 5 FCBDHN Cc1cc(C(=O)N2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n[nH]1 ZINC000944384853 1247542213 /nfs/dbraw/zinc/54/22/13/1247542213.db2.gz GELVUIVQTCYAGW-TZMCWYRMSA-N 0 3 361.402 0.838 20 5 FCBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001328467050 1265556464 /nfs/dbraw/zinc/55/64/64/1265556464.db2.gz MBYDEMIPVNKLSK-ZDUSSCGKSA-N 0 3 366.422 0.144 20 5 FCBDHN NC(=O)c1cccc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001000673756 1252279148 /nfs/dbraw/zinc/27/91/48/1252279148.db2.gz KSLOMCRFKHZREW-HZPDHXFCSA-N 0 3 358.398 0.699 20 5 FCBDHN COc1ncc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001001399238 1252282376 /nfs/dbraw/zinc/28/23/76/1252282376.db2.gz KHLDGKBIELVEJF-HUUCEWRRSA-N 0 3 363.418 0.787 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001336414137 1260119117 /nfs/dbraw/zinc/11/91/17/1260119117.db2.gz XXPCOSHFPQBNMV-SFHVURJKSA-N 0 3 373.457 0.629 20 5 FCBDHN COCCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001263260885 1260344251 /nfs/dbraw/zinc/34/42/51/1260344251.db2.gz OJYOZJJHPFXNSO-CYBMUJFWSA-N 0 3 368.438 0.391 20 5 FCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546415 1263199720 /nfs/dbraw/zinc/19/97/20/1263199720.db2.gz VNPCNZVGWOTKOC-ZFWWWQNUSA-N 0 3 366.418 0.769 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)C[C@H]1C ZINC001307836516 1263201247 /nfs/dbraw/zinc/20/12/47/1263201247.db2.gz HAXDQFBFNXSWTR-CYBMUJFWSA-N 0 3 366.418 0.930 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001318178482 1263549261 /nfs/dbraw/zinc/54/92/61/1263549261.db2.gz DUBCFXHFYUMDHQ-ZDUSSCGKSA-N 0 3 364.406 0.040 20 5 FCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001323357770 1264409499 /nfs/dbraw/zinc/40/94/99/1264409499.db2.gz YPZJJWYRKYUFEB-OAHLLOKOSA-N 0 3 360.414 0.950 20 5 FCBDHN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001324661062 1264686539 /nfs/dbraw/zinc/68/65/39/1264686539.db2.gz HATYJNFBPVULSS-TZMCWYRMSA-N 0 3 362.434 0.551 20 5 FCBDHN COCCNCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001579045571 1276638845 /nfs/dbraw/zinc/63/88/45/1276638845.db2.gz VCSLDHYAJJONHM-UHFFFAOYSA-N 0 3 351.407 0.521 20 5 FCBDHN CC[N@H+](C)CCC(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590678638 1283729904 /nfs/dbraw/zinc/72/99/04/1283729904.db2.gz HKZGQGVZRYMRRL-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@@H+](C)CCC(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590678638 1283729912 /nfs/dbraw/zinc/72/99/12/1283729912.db2.gz HKZGQGVZRYMRRL-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@H+](C)CCC(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590678638 1283729919 /nfs/dbraw/zinc/72/99/19/1283729919.db2.gz HKZGQGVZRYMRRL-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN CC[N@@H+](C)CCC(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590678638 1283729928 /nfs/dbraw/zinc/72/99/28/1283729928.db2.gz HKZGQGVZRYMRRL-UHFFFAOYSA-N 0 3 362.394 0.645 20 5 FCBDHN C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591177247 1284275066 /nfs/dbraw/zinc/27/50/66/1284275066.db2.gz YGAPRGHTVVQSHW-SECBINFHSA-N 0 3 367.391 0.005 20 5 FCBDHN C[N@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591177247 1284275077 /nfs/dbraw/zinc/27/50/77/1284275077.db2.gz YGAPRGHTVVQSHW-SECBINFHSA-N 0 3 367.391 0.005 20 5 FCBDHN C[N@@H+]1CC[C@](O)(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181339 1284279895 /nfs/dbraw/zinc/27/98/95/1284279895.db2.gz ZIAMVOJGFITSDB-INIZCTEOSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@H+]1CC[C@](O)(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181339 1284279908 /nfs/dbraw/zinc/27/99/08/1284279908.db2.gz ZIAMVOJGFITSDB-INIZCTEOSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@@H+]1CC[C@](O)(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181339 1284279921 /nfs/dbraw/zinc/27/99/21/1284279921.db2.gz ZIAMVOJGFITSDB-INIZCTEOSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@H+]1CC[C@](O)(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181339 1284279928 /nfs/dbraw/zinc/27/99/28/1284279928.db2.gz ZIAMVOJGFITSDB-INIZCTEOSA-N 0 3 370.373 0.802 20 5 FCBDHN C[NH+](C)C[C@]1(O)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604680822 1287726110 /nfs/dbraw/zinc/72/61/10/1287726110.db2.gz PSVLEGZZFMTQOF-OAHLLOKOSA-N 0 3 365.369 0.807 20 5 FCBDHN C[NH+](C)C[C@]1(O)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604680822 1287726115 /nfs/dbraw/zinc/72/61/15/1287726115.db2.gz PSVLEGZZFMTQOF-OAHLLOKOSA-N 0 3 365.369 0.807 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592721698 1285623894 /nfs/dbraw/zinc/62/38/94/1285623894.db2.gz UNZOOBPAOPLVFB-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592721698 1285623902 /nfs/dbraw/zinc/62/39/02/1285623902.db2.gz UNZOOBPAOPLVFB-LLVKDONJSA-N 0 3 374.405 0.774 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC([NH2+]CCO)CC1 ZINC001593469452 1286172337 /nfs/dbraw/zinc/17/23/37/1286172337.db2.gz REUSKULJDXLKSR-UHFFFAOYSA-N 0 3 351.342 0.465 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC([NH2+]CCO)CC1 ZINC001593469452 1286172340 /nfs/dbraw/zinc/17/23/40/1286172340.db2.gz REUSKULJDXLKSR-UHFFFAOYSA-N 0 3 351.342 0.465 20 5 FCBDHN CC(C)(C)n1nnnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363104 842127201 /nfs/dbraw/zinc/12/72/01/842127201.db2.gz BUQNPEORCOIDHL-DDHJBXDOSA-N 0 3 351.411 0.078 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2ncnn2CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363227 842127627 /nfs/dbraw/zinc/12/76/27/842127627.db2.gz IMYDRQUDXZQVCF-GWOFURMSSA-N 0 3 358.349 0.193 20 5 FCBDHN O=C(NCc1cn(C2CN(CCCCCF)C2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001107168276 845332902 /nfs/dbraw/zinc/33/29/02/845332902.db2.gz TXABHFFIZKPTIP-ZIAGYGMSSA-N 0 3 354.386 0.556 20 5 FCBDHN NC(=O)COC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001116551897 846704519 /nfs/dbraw/zinc/70/45/19/846704519.db2.gz UDFHSPGNOIIOBQ-LBPRGKRZSA-N 0 3 353.375 0.301 20 5 FCBDHN COc1nc(C)c([N+](=O)[O-])c(N([C@H]2CCCNC2)S(=O)(=O)C(C)C)n1 ZINC001157991859 850009971 /nfs/dbraw/zinc/00/99/71/850009971.db2.gz AHAFBSOOQPYSEH-NSHDSACASA-N 0 3 373.435 0.998 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1OC ZINC001163251799 850361821 /nfs/dbraw/zinc/36/18/21/850361821.db2.gz CQUXRXCJQQLVLY-IUODEOHRSA-N 0 3 350.331 0.380 20 5 FCBDHN O=C(NCCC1(CNCc2ncnn2CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490170 850413647 /nfs/dbraw/zinc/41/36/47/850413647.db2.gz AQSROKKWIJIXHE-VXGBXAGGSA-N 0 3 354.386 0.289 20 5 FCBDHN C[C@@H](Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170562341 850659401 /nfs/dbraw/zinc/65/94/01/850659401.db2.gz IJVPKMPQUQORLB-RNFRBKRXSA-N 0 3 365.799 0.231 20 5 FCBDHN NC(=O)COC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001252679121 857832334 /nfs/dbraw/zinc/83/23/34/857832334.db2.gz QZFMDOIGEFLMKJ-ZDUSSCGKSA-N 0 3 353.375 0.301 20 5 FCBDHN COCCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)CC1 ZINC001343166488 870262412 /nfs/dbraw/zinc/26/24/12/870262412.db2.gz SJZRLUSWKDETQD-UHFFFAOYSA-N 0 3 354.411 0.002 20 5 FCBDHN C[C@H](NC1CC1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000294973873 214273022 /nfs/dbraw/zinc/27/30/22/214273022.db2.gz GMJGDINIZXOOPC-JTQLQIEISA-N 0 3 356.404 0.130 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000265372979 210109094 /nfs/dbraw/zinc/10/90/94/210109094.db2.gz OQHQVTPPIIGEBG-WFASDCNBSA-N 0 3 364.402 0.502 20 5 FCBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265324415 210097928 /nfs/dbraw/zinc/09/79/28/210097928.db2.gz FMPSBQOMYNCDNJ-HZPDHXFCSA-N 0 3 369.443 0.225 20 5 FCBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000265324384 210097217 /nfs/dbraw/zinc/09/72/17/210097217.db2.gz FMPSBQOMYNCDNJ-CVEARBPZSA-N 0 3 369.443 0.225 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000265112895 210056925 /nfs/dbraw/zinc/05/69/25/210056925.db2.gz XTCXMNVLPNSTSG-UHFFFAOYSA-N 0 3 373.431 0.993 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332163512 215103500 /nfs/dbraw/zinc/10/35/00/215103500.db2.gz QJPPNLDGNPQIFC-RYUDHWBXSA-N 0 3 362.386 0.919 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000283040934 212896772 /nfs/dbraw/zinc/89/67/72/212896772.db2.gz NLLYWXNGQUJZMO-MRVPVSSYSA-N 0 3 367.343 0.552 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193989867 209321084 /nfs/dbraw/zinc/32/10/84/209321084.db2.gz IKCWDNCJXUWGBJ-UHFFFAOYSA-N 0 3 356.448 0.652 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191095832 209282112 /nfs/dbraw/zinc/28/21/12/209282112.db2.gz RWWLKQDLTFNTHR-UHFFFAOYSA-N 0 3 363.418 0.803 20 5 FCBDHN C[C@@H](O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189926964 209263378 /nfs/dbraw/zinc/26/33/78/209263378.db2.gz HDJOWKNSSQITJM-ZNMIVQPWSA-N 0 3 353.419 0.721 20 5 FCBDHN C[C@@H](O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189926947 209262802 /nfs/dbraw/zinc/26/28/02/209262802.db2.gz HDJOWKNSSQITJM-KFWWJZLASA-N 0 3 353.419 0.721 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373283434 217004156 /nfs/dbraw/zinc/00/41/56/217004156.db2.gz HCIPIJITXQXEBN-ZDUSSCGKSA-N 0 3 365.350 0.594 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414975620 245337234 /nfs/dbraw/zinc/33/72/34/245337234.db2.gz MIBVEDJVNZSJPE-CYBMUJFWSA-N 0 3 352.391 0.140 20 5 FCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373760259 217055718 /nfs/dbraw/zinc/05/57/18/217055718.db2.gz VPCYGAIKBALTAS-ZBFHGGJFSA-N 0 3 354.407 0.812 20 5 FCBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000374290020 217115790 /nfs/dbraw/zinc/11/57/90/217115790.db2.gz XVJCFJFBHWTGQA-HIFRSBDPSA-N 0 3 350.423 0.276 20 5 FCBDHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000423504554 247040210 /nfs/dbraw/zinc/04/02/10/247040210.db2.gz NMKZONVDHZAURU-GHMZBOCLSA-N 0 3 356.404 0.082 20 5 FCBDHN COCCNCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423511858 247040293 /nfs/dbraw/zinc/04/02/93/247040293.db2.gz KJHNMEYMUCUEKZ-UHFFFAOYSA-N 0 3 352.391 0.397 20 5 FCBDHN Cc1c(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000272546468 211564606 /nfs/dbraw/zinc/56/46/06/211564606.db2.gz KCSAJFCMYGIGGA-BDAKNGLRSA-N 0 3 356.404 0.373 20 5 FCBDHN CN(CC(=O)NC[C@H]1CCCN1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452364514 249312608 /nfs/dbraw/zinc/31/26/08/249312608.db2.gz MTEVEGHGOWMOGW-CQSZACIVSA-N 0 3 350.419 0.994 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000453038732 249343091 /nfs/dbraw/zinc/34/30/91/249343091.db2.gz QNVNUFHLNAFWPT-YPMHNXCESA-N 0 3 364.427 0.948 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270335672 211188157 /nfs/dbraw/zinc/18/81/57/211188157.db2.gz CVZIHUTVAKELLU-KGLIPLIRSA-N 0 3 374.488 0.985 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270335673 211187479 /nfs/dbraw/zinc/18/74/79/211187479.db2.gz CVZIHUTVAKELLU-UONOGXRCSA-N 0 3 374.488 0.985 20 5 FCBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701343 250000417 /nfs/dbraw/zinc/00/04/17/250000417.db2.gz MYICHVJVPWMXGR-KOLCDFICSA-N 0 3 370.431 0.763 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@@](C)(O)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000473253463 250210379 /nfs/dbraw/zinc/21/03/79/250210379.db2.gz IBKWOFLQQBASOZ-INIZCTEOSA-N 0 3 353.375 0.814 20 5 FCBDHN COC(=O)[C@H](C)NC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000474159713 250274008 /nfs/dbraw/zinc/27/40/08/250274008.db2.gz QZQLFMYBJXSFPT-NSHDSACASA-N 0 3 352.391 0.884 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000481677558 250350156 /nfs/dbraw/zinc/35/01/56/250350156.db2.gz OHDXHPINIIPMAH-HUUCEWRRSA-N 0 3 373.413 0.941 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000061211504 208012149 /nfs/dbraw/zinc/01/21/49/208012149.db2.gz GXIXFGDEVUQAIU-UHFFFAOYSA-N 0 3 351.363 0.870 20 5 FCBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000074137829 208052409 /nfs/dbraw/zinc/05/24/09/208052409.db2.gz XGIXFBLXGILHDR-CQSZACIVSA-N 0 3 350.419 0.973 20 5 FCBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266531442 210351704 /nfs/dbraw/zinc/35/17/04/210351704.db2.gz MDHFAVPKORASIG-OCCSQVGLSA-N 0 3 369.422 0.999 20 5 FCBDHN COc1cc(OCC(=O)N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000413821418 533090242 /nfs/dbraw/zinc/09/02/42/533090242.db2.gz RRPLUJJHOUIVMN-ZDUSSCGKSA-N 0 3 367.402 0.945 20 5 FCBDHN CN(C)CCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000267869697 229388930 /nfs/dbraw/zinc/38/89/30/229388930.db2.gz JYPZLGBCSZBQCM-UHFFFAOYSA-N 0 3 373.435 0.064 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000363696831 488875459 /nfs/dbraw/zinc/87/54/59/488875459.db2.gz AXLXJWDDNXLERI-CYBMUJFWSA-N 0 3 370.431 0.907 20 5 FCBDHN CCN1CCN([C@H](C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301127786 488876743 /nfs/dbraw/zinc/87/67/43/488876743.db2.gz XMYLNDQYNUVBMN-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN CCN1CCN([C@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000301508325 488880687 /nfs/dbraw/zinc/88/06/87/488880687.db2.gz HQIBUFJNVYUSCJ-GFCCVEGCSA-N 0 3 371.463 0.680 20 5 FCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000321417203 488901480 /nfs/dbraw/zinc/90/14/80/488901480.db2.gz KNMDPKGVXUUJGG-JTQLQIEISA-N 0 3 362.839 0.820 20 5 FCBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000278884354 488903276 /nfs/dbraw/zinc/90/32/76/488903276.db2.gz PMWQZEHWBBTYIF-CYBMUJFWSA-N 0 3 351.407 0.893 20 5 FCBDHN CCN1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000025397939 487665662 /nfs/dbraw/zinc/66/56/62/487665662.db2.gz JPNBBUOCYUTPEP-UHFFFAOYSA-N 0 3 360.370 0.791 20 5 FCBDHN C[C@@H](CN1CCOCC1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279690385 488961855 /nfs/dbraw/zinc/96/18/55/488961855.db2.gz HNWGJRMGGXIQFV-GOEBONIOSA-N 0 3 353.419 0.987 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041640289 487835873 /nfs/dbraw/zinc/83/58/73/487835873.db2.gz XHXKMKTUHQHVGA-ZDUSSCGKSA-N 0 3 363.418 0.676 20 5 FCBDHN CC(C)N(C)C(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075638099 488398013 /nfs/dbraw/zinc/39/80/13/488398013.db2.gz FOKUYWBRLFVXJE-OAHLLOKOSA-N 0 3 353.423 0.731 20 5 FCBDHN CSCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269051524 488465087 /nfs/dbraw/zinc/46/50/87/488465087.db2.gz COHGYVKHBIFILS-CQSZACIVSA-N 0 3 366.443 0.960 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000269103531 488469674 /nfs/dbraw/zinc/46/96/74/488469674.db2.gz UZZOMMPRMJUHTK-LLVKDONJSA-N 0 3 356.404 0.083 20 5 FCBDHN COc1ccc([C@@H](CO)N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247709910 488489705 /nfs/dbraw/zinc/48/97/05/488489705.db2.gz ZWKIJRJKXYGNAK-GDBMZVCRSA-N 0 3 350.375 0.826 20 5 FCBDHN COc1ccc(NC(=O)CCN(C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000269309040 488489899 /nfs/dbraw/zinc/48/98/99/488489899.db2.gz HVWJUOFLRPSIAM-UHFFFAOYSA-N 0 3 355.391 0.855 20 5 FCBDHN CN1CCN(CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488328 488497853 /nfs/dbraw/zinc/49/78/53/488497853.db2.gz CIGXYQSHPJXGDV-UHFFFAOYSA-N 0 3 352.439 0.670 20 5 FCBDHN COc1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261862187 488539059 /nfs/dbraw/zinc/53/90/59/488539059.db2.gz KLKJTOLFNVMVGR-UHFFFAOYSA-N 0 3 358.420 0.177 20 5 FCBDHN CC(C)C[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262139915 488553175 /nfs/dbraw/zinc/55/31/75/488553175.db2.gz OYSUYJUHMIHESX-ZDUSSCGKSA-N 0 3 358.420 0.363 20 5 FCBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000272003850 488557980 /nfs/dbraw/zinc/55/79/80/488557980.db2.gz SADICWNRWDYXSI-UHFFFAOYSA-N 0 3 353.400 0.990 20 5 FCBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000562989957 491205877 /nfs/dbraw/zinc/20/58/77/491205877.db2.gz UNMGQWJQAILWKZ-HOCLYGCPSA-N 0 3 367.402 0.562 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272420648 488579836 /nfs/dbraw/zinc/57/98/36/488579836.db2.gz HMPUOGJVMCRJRI-KGLIPLIRSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272420648 488579837 /nfs/dbraw/zinc/57/98/37/488579837.db2.gz HMPUOGJVMCRJRI-KGLIPLIRSA-N 0 3 359.386 0.931 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000126209676 488607368 /nfs/dbraw/zinc/60/73/68/488607368.db2.gz GEUWVJOEXLTXAO-UHFFFAOYSA-N 0 3 372.429 0.855 20 5 FCBDHN CN1CCC(O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000272913368 488616232 /nfs/dbraw/zinc/61/62/32/488616232.db2.gz ZFDGDZWWCYYAMH-HNNXBMFYSA-N 0 3 362.386 0.661 20 5 FCBDHN CN(CCCN1CCN(C)CC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264687055 488698217 /nfs/dbraw/zinc/69/82/17/488698217.db2.gz YJHKDIWFQBMCHI-UHFFFAOYSA-N 0 3 371.463 0.316 20 5 FCBDHN COC(=O)C1=NOC2(C1)CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000274613437 488723713 /nfs/dbraw/zinc/72/37/13/488723713.db2.gz PITNXLDITCHARU-UHFFFAOYSA-N 0 3 364.358 0.540 20 5 FCBDHN COc1ccc([C@H](CO)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000173742778 488845077 /nfs/dbraw/zinc/84/50/77/488845077.db2.gz ZWKIJRJKXYGNAK-HOCLYGCPSA-N 0 3 350.375 0.826 20 5 FCBDHN CN1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1(C)C ZINC000281693665 489098341 /nfs/dbraw/zinc/09/83/41/489098341.db2.gz SANPTKLLIJYDLQ-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000297751928 489234804 /nfs/dbraw/zinc/23/48/04/489234804.db2.gz GCNWPAAOKKZYQT-UHFFFAOYSA-N 0 3 363.418 0.263 20 5 FCBDHN COC(=O)CNC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000298183836 489301142 /nfs/dbraw/zinc/30/11/42/489301142.db2.gz FGTPBGGEPAQQTP-UHFFFAOYSA-N 0 3 350.375 0.640 20 5 FCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N(C)C ZINC000298481622 489330385 /nfs/dbraw/zinc/33/03/85/489330385.db2.gz UNJJNSWOJWCBHC-LBPRGKRZSA-N 0 3 372.447 0.978 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362934589 489405965 /nfs/dbraw/zinc/40/59/65/489405965.db2.gz ZPBYEPSLLTVDIX-KBPBESRZSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C1CCCCN1[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363576647 489480204 /nfs/dbraw/zinc/48/02/04/489480204.db2.gz BLZIGFPFXMCVCO-HIFRSBDPSA-N 0 3 351.407 0.629 20 5 FCBDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414221769 489494371 /nfs/dbraw/zinc/49/43/71/489494371.db2.gz HYWJUOXTPIQCCS-NSHDSACASA-N 0 3 372.399 0.966 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000456170788 489608932 /nfs/dbraw/zinc/60/89/32/489608932.db2.gz QMTXRWRFDNMIAE-HIFRSBDPSA-N 0 3 361.402 0.557 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457125503 489637815 /nfs/dbraw/zinc/63/78/15/489637815.db2.gz QHVZPTRPBUTFAI-HNNXBMFYSA-N 0 3 360.418 0.028 20 5 FCBDHN C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000570846275 491269087 /nfs/dbraw/zinc/26/90/87/491269087.db2.gz UWTZGTPKCCXGAZ-GHMZBOCLSA-N 0 3 356.404 0.069 20 5 FCBDHN COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819535 489665753 /nfs/dbraw/zinc/66/57/53/489665753.db2.gz QBRXAKCYQQOIIK-WMZOPIPTSA-N 0 3 374.397 0.969 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000469363954 489703757 /nfs/dbraw/zinc/70/37/57/489703757.db2.gz NRTDHXWAFONOHI-GXFFZTMASA-N 0 3 371.415 0.952 20 5 FCBDHN Cn1cc(C[C@@H](CO)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000563887650 491275031 /nfs/dbraw/zinc/27/50/31/491275031.db2.gz KFJMDHKSONTUPS-DZGCQCFKSA-N 0 3 350.375 0.261 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000418945931 489799226 /nfs/dbraw/zinc/79/92/26/489799226.db2.gz NSWHPDGDBRBJNF-GFCCVEGCSA-N 0 3 352.391 0.709 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)cc1[N+](=O)[O-] ZINC000418949143 489801290 /nfs/dbraw/zinc/80/12/90/489801290.db2.gz RDSJKIDWOOPHQF-GFCCVEGCSA-N 0 3 350.375 0.559 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042028 489831383 /nfs/dbraw/zinc/83/13/83/489831383.db2.gz OSFNCCNQNCTEQR-YPMHNXCESA-N 0 3 364.402 0.483 20 5 FCBDHN CCOc1cc(NC(=O)C(=O)NC2CNC2)c([N+](=O)[O-])cc1OCC ZINC000571056230 491283267 /nfs/dbraw/zinc/28/32/67/491283267.db2.gz XBOPVBSPRFHZQU-UHFFFAOYSA-N 0 3 352.347 0.419 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420017984 489881942 /nfs/dbraw/zinc/88/19/42/489881942.db2.gz PIEHOUDALICQDL-LRDDRELGSA-N 0 3 370.454 0.646 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@](C)(O)CCN(C)C ZINC000420017983 489882126 /nfs/dbraw/zinc/88/21/26/489882126.db2.gz PIEHOUDALICQDL-BLLLJJGKSA-N 0 3 370.454 0.646 20 5 FCBDHN COc1cc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000377511955 489912477 /nfs/dbraw/zinc/91/24/77/489912477.db2.gz LYBBXMXDNGQUQR-JSGCOSHPSA-N 0 3 365.386 0.962 20 5 FCBDHN Cn1cc([C@H](CO)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000494812271 489914659 /nfs/dbraw/zinc/91/46/59/489914659.db2.gz RRQVCIXSUDGXRD-ZDUSSCGKSA-N 0 3 361.358 0.950 20 5 FCBDHN COc1cc(CNCC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000495187832 489929760 /nfs/dbraw/zinc/92/97/60/489929760.db2.gz FGSQIZBBDPJMFP-UHFFFAOYSA-N 0 3 359.404 0.593 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420204249 489951651 /nfs/dbraw/zinc/95/16/51/489951651.db2.gz QYVFQJKCHWCCBL-HNNXBMFYSA-N 0 3 362.386 0.190 20 5 FCBDHN COC(=O)C[C@]1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000464601342 490062009 /nfs/dbraw/zinc/06/20/09/490062009.db2.gz YUIWOYQBXKJYDC-MLGOLLRUSA-N 0 3 354.359 0.646 20 5 FCBDHN CN1CC[C@H](Cn2nnnc2Sc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000564558890 491313834 /nfs/dbraw/zinc/31/38/34/491313834.db2.gz NIFBAHGHIYMFFD-QMMMGPOBSA-N 0 3 364.391 0.178 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(N3CCOCC3)nc2)c1 ZINC000521862594 490305122 /nfs/dbraw/zinc/30/51/22/490305122.db2.gz GDLXZLOSIDUNMB-HNNXBMFYSA-N 0 3 362.390 0.174 20 5 FCBDHN Cc1nn(CCC(=O)NCCN2CCN(C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000508343746 490321825 /nfs/dbraw/zinc/32/18/25/490321825.db2.gz AARSUSJVEXBMJF-UHFFFAOYSA-N 0 3 366.466 0.940 20 5 FCBDHN Cc1n[nH]c(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467650252 490326079 /nfs/dbraw/zinc/32/60/79/490326079.db2.gz KXFMKYDPTJALJZ-LLVKDONJSA-N 0 3 373.435 0.207 20 5 FCBDHN Cc1[nH]nc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467650252 490326081 /nfs/dbraw/zinc/32/60/81/490326081.db2.gz KXFMKYDPTJALJZ-LLVKDONJSA-N 0 3 373.435 0.207 20 5 FCBDHN CCN(C)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498740690 490334414 /nfs/dbraw/zinc/33/44/14/490334414.db2.gz PLFLQQMDTCBCMH-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000571754890 491326896 /nfs/dbraw/zinc/32/68/96/491326896.db2.gz QGLUCUDSFBZDCU-WWGRRREGSA-N 0 3 367.402 0.560 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450597657 490477930 /nfs/dbraw/zinc/47/79/30/490477930.db2.gz PJRQMBOVTFVBMI-LLVKDONJSA-N 0 3 358.420 0.501 20 5 FCBDHN O=C(CC[NH2+]C1CC1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000571819942 491331070 /nfs/dbraw/zinc/33/10/70/491331070.db2.gz OAXHNAFJAQPYQN-UHFFFAOYSA-N 0 3 356.404 0.131 20 5 FCBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000500435170 490516316 /nfs/dbraw/zinc/51/63/16/490516316.db2.gz HWJGFOMJTDAJGS-UHFFFAOYSA-N 0 3 359.390 0.956 20 5 FCBDHN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413916773 490517347 /nfs/dbraw/zinc/51/73/47/490517347.db2.gz JIRVLHVESISCBR-SNVBAGLBSA-N 0 3 361.358 0.648 20 5 FCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524272612 490528584 /nfs/dbraw/zinc/52/85/84/490528584.db2.gz FMBSPIXFKZLHJJ-LBPRGKRZSA-N 0 3 370.431 0.461 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548714562 490535007 /nfs/dbraw/zinc/53/50/07/490535007.db2.gz QSBQSWOXHGGHFR-GFCCVEGCSA-N 0 3 350.423 0.575 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511644431 490612313 /nfs/dbraw/zinc/61/23/13/490612313.db2.gz CIYIYEPSIGDCPK-JLLWLGSASA-N 0 3 352.313 0.645 20 5 FCBDHN C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391979 490617449 /nfs/dbraw/zinc/61/74/49/490617449.db2.gz DDYXYGBBXHUNIT-NEPJUHHUSA-N 0 3 370.431 0.187 20 5 FCBDHN C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391979 490617459 /nfs/dbraw/zinc/61/74/59/490617459.db2.gz DDYXYGBBXHUNIT-NEPJUHHUSA-N 0 3 370.431 0.187 20 5 FCBDHN CN1CC=C(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000537253043 490663490 /nfs/dbraw/zinc/66/34/90/490663490.db2.gz VCBKPHHAFNQSPG-UHFFFAOYSA-N 0 3 360.370 0.698 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000526087789 490674602 /nfs/dbraw/zinc/67/46/02/490674602.db2.gz OZLHUJDBVKONBZ-LLVKDONJSA-N 0 3 350.375 1.000 20 5 FCBDHN [NH3+]CC[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564996213 491344898 /nfs/dbraw/zinc/34/48/98/491344898.db2.gz QUGOODUNUKXQDK-GFCCVEGCSA-N 0 3 370.431 0.603 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537962889 490703837 /nfs/dbraw/zinc/70/38/37/490703837.db2.gz PCWNXNDKMGFORC-BXUZGUMPSA-N 0 3 371.415 0.715 20 5 FCBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000502855165 490725300 /nfs/dbraw/zinc/72/53/00/490725300.db2.gz JVWLKIFAKRHTDX-VHSXEESVSA-N 0 3 364.358 0.766 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000502887549 490727661 /nfs/dbraw/zinc/72/76/61/490727661.db2.gz MKKFTTSXTFGSBI-INIZCTEOSA-N 0 3 353.375 0.337 20 5 FCBDHN CS(=O)(=O)N1CC[C@H](N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000565090025 491352689 /nfs/dbraw/zinc/35/26/89/491352689.db2.gz WZKJFIQLGFYVLQ-AVGNSLFASA-N 0 3 357.436 0.899 20 5 FCBDHN CNc1nccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000565184804 491358046 /nfs/dbraw/zinc/35/80/46/491358046.db2.gz CZUKVTAPSIKBNA-GFCCVEGCSA-N 0 3 351.407 0.854 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000505352186 490827394 /nfs/dbraw/zinc/82/73/94/490827394.db2.gz WKSVVPUWLLSNPO-UHFFFAOYSA-N 0 3 351.407 0.560 20 5 FCBDHN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000505886052 490843778 /nfs/dbraw/zinc/84/37/78/490843778.db2.gz YODXLFSSNFOTJP-RYUDHWBXSA-N 0 3 370.431 0.472 20 5 FCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000516784644 490878247 /nfs/dbraw/zinc/87/82/47/490878247.db2.gz ULKBDHJQPICWIO-QGZVFWFLSA-N 0 3 363.370 0.553 20 5 FCBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000516938233 490885940 /nfs/dbraw/zinc/88/59/40/490885940.db2.gz LRBKWSGCDIZUBQ-WPRPVWTQSA-N 0 3 374.806 0.181 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000517588329 490913666 /nfs/dbraw/zinc/91/36/66/490913666.db2.gz JMRJPZZLXKNCIG-UBHSHLNASA-N 0 3 361.402 0.918 20 5 FCBDHN CN1CCC[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518659441 490948323 /nfs/dbraw/zinc/94/83/23/490948323.db2.gz KZTFRJIRCJWKJB-CQSZACIVSA-N 0 3 363.418 0.852 20 5 FCBDHN COc1ccc(NC(=O)CCN2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000519680706 490983765 /nfs/dbraw/zinc/98/37/65/490983765.db2.gz VDZXYKGQCGJBNT-ABAIWWIYSA-N 0 3 353.375 0.607 20 5 FCBDHN O=C1[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000595624319 491945602 /nfs/dbraw/zinc/94/56/02/491945602.db2.gz GJWLFVNCWXMVDZ-IYBDPMFKSA-N 0 3 369.381 0.908 20 5 FCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000569516601 491165603 /nfs/dbraw/zinc/16/56/03/491165603.db2.gz RISCIERGQYRQEE-NSHDSACASA-N 0 3 370.431 0.565 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000569528062 491166188 /nfs/dbraw/zinc/16/61/88/491166188.db2.gz OMYSIMNLYMXSPO-RISCZKNCSA-N 0 3 353.375 0.607 20 5 FCBDHN CNc1nccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557633418 491388482 /nfs/dbraw/zinc/38/84/82/491388482.db2.gz IYZXGMPVZAKZJB-LBPRGKRZSA-N 0 3 350.423 0.645 20 5 FCBDHN CS(=O)(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000565887298 491405334 /nfs/dbraw/zinc/40/53/34/491405334.db2.gz KFSOTBFODHELOG-AWEZNQCLSA-N 0 3 369.403 0.314 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557978191 491407191 /nfs/dbraw/zinc/40/71/91/491407191.db2.gz AUIOBFOAXMXXGX-UHFFFAOYSA-N 0 3 356.810 0.927 20 5 FCBDHN CCS(=O)(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566005026 491411679 /nfs/dbraw/zinc/41/16/79/491411679.db2.gz NYIREDOVDXKIKT-AWEZNQCLSA-N 0 3 368.415 0.736 20 5 FCBDHN CC(C)C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000573260744 491423197 /nfs/dbraw/zinc/42/31/97/491423197.db2.gz JHJGQAQXWWFTOT-LBPRGKRZSA-N 0 3 366.422 0.593 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000567675053 491522233 /nfs/dbraw/zinc/52/22/33/491522233.db2.gz YQWQIKWFNNQGAN-WDEREUQCSA-N 0 3 368.415 0.366 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccn1 ZINC000567710476 491524277 /nfs/dbraw/zinc/52/42/77/491524277.db2.gz LPRBKCDRYJRFRJ-HOTGVXAUSA-N 0 3 374.401 0.328 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CCN2C1=O ZINC000575196030 491545107 /nfs/dbraw/zinc/54/51/07/491545107.db2.gz BWRSTANUIMHUAE-RYUDHWBXSA-N 0 3 370.369 0.165 20 5 FCBDHN N[C@H]1C[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CCN2C1=O ZINC000575882165 491567823 /nfs/dbraw/zinc/56/78/23/491567823.db2.gz KZLUOLLNDWPYLN-STQMWFEESA-N 0 3 358.358 0.389 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000577385438 491617418 /nfs/dbraw/zinc/61/74/18/491617418.db2.gz LBLMBVOPBDCXPQ-QWHCGFSZSA-N 0 3 358.416 0.891 20 5 FCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H](CN)C1 ZINC000577398716 491619140 /nfs/dbraw/zinc/61/91/40/491619140.db2.gz CSEFOOGPTAREDQ-LLVKDONJSA-N 0 3 365.415 0.406 20 5 FCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000561967925 491643343 /nfs/dbraw/zinc/64/33/43/491643343.db2.gz KGDRZAFKASRUGX-NSHDSACASA-N 0 3 352.391 0.790 20 5 FCBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1S(C)(=O)=O ZINC000569333035 491652334 /nfs/dbraw/zinc/65/23/34/491652334.db2.gz ONUXQYILLKXNAA-AWEZNQCLSA-N 0 3 368.415 0.654 20 5 FCBDHN CS(=O)(=O)Cc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577948176 491664760 /nfs/dbraw/zinc/66/47/60/491664760.db2.gz QFTCRAVRLYEFIN-HNNXBMFYSA-N 0 3 368.415 0.487 20 5 FCBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000578980014 491688137 /nfs/dbraw/zinc/68/81/37/491688137.db2.gz OVWQQZZRCBVERG-MRXNPFEDSA-N 0 3 359.386 0.327 20 5 FCBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579344637 491695796 /nfs/dbraw/zinc/69/57/96/491695796.db2.gz JYNYEUYWHSORDQ-AAEUAGOBSA-N 0 3 361.420 0.252 20 5 FCBDHN O=C1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CCCCC1 ZINC000579463445 491698307 /nfs/dbraw/zinc/69/83/07/491698307.db2.gz TUCUMEOIUKMDHT-WFASDCNBSA-N 0 3 351.407 0.675 20 5 FCBDHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580829161 491747598 /nfs/dbraw/zinc/74/75/98/491747598.db2.gz AOQWMWYSGDJOKA-NEPJUHHUSA-N 0 3 361.420 0.252 20 5 FCBDHN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)NCCN(C)C ZINC000581834508 491786699 /nfs/dbraw/zinc/78/66/99/491786699.db2.gz RDJYBACBUJCVIV-SECBINFHSA-N 0 3 352.347 0.120 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000582356064 491809038 /nfs/dbraw/zinc/80/90/38/491809038.db2.gz UBQMTSBDZGKTIZ-CYBMUJFWSA-N 0 3 358.416 0.891 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594877552 491870287 /nfs/dbraw/zinc/87/02/87/491870287.db2.gz VOIKQYPTLBDMFY-CABCVRRESA-N 0 3 361.402 0.557 20 5 FCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275133 491910579 /nfs/dbraw/zinc/91/05/79/491910579.db2.gz HKKVIIHNYMWNBA-UHFFFAOYSA-N 0 3 360.374 0.933 20 5 FCBDHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000596179797 491978929 /nfs/dbraw/zinc/97/89/29/491978929.db2.gz QPVUDAWMZURGFC-VXGBXAGGSA-N 0 3 360.461 0.724 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597653287 492056843 /nfs/dbraw/zinc/05/68/43/492056843.db2.gz IWHVZHSTXFTMIC-MNOVXSKESA-N 0 3 370.431 0.300 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598188468 492088204 /nfs/dbraw/zinc/08/82/04/492088204.db2.gz TWVXUWQAQBTNHG-UHFFFAOYSA-N 0 3 362.390 0.563 20 5 FCBDHN CCCN1CC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000598342013 492095575 /nfs/dbraw/zinc/09/55/75/492095575.db2.gz BDNQPPLBXHCRAN-NSHDSACASA-N 0 3 360.370 0.791 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000610367541 492243720 /nfs/dbraw/zinc/24/37/20/492243720.db2.gz UJWLWPZDPSMLPY-CVEARBPZSA-N 0 3 353.423 0.339 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000600271091 492255609 /nfs/dbraw/zinc/25/56/09/492255609.db2.gz HEGPNKHYADEINC-GFCCVEGCSA-N 0 3 350.375 0.544 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611521030 492289501 /nfs/dbraw/zinc/28/95/01/492289501.db2.gz BQFSFNNBXTVEME-WFASDCNBSA-N 0 3 374.397 0.873 20 5 FCBDHN CN(C1CNC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592389362 546949233 /nfs/dbraw/zinc/94/92/33/546949233.db2.gz SRXKVRZPQITTJM-UHFFFAOYSA-N 0 3 350.194 0.950 20 5 FCBDHN CC1(C)CNCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592473400 546950662 /nfs/dbraw/zinc/95/06/62/546950662.db2.gz GFSNAKQRPSCTCV-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592492534 546951549 /nfs/dbraw/zinc/95/15/49/546951549.db2.gz SHNRXPQDIHUMKG-CQSZACIVSA-N 0 3 350.375 0.679 20 5 FCBDHN [NH3+]C1CCC(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592468342 546951754 /nfs/dbraw/zinc/95/17/54/546951754.db2.gz FFLMXOSRJAWJGK-UHFFFAOYSA-N 0 3 356.404 0.259 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544656 546953015 /nfs/dbraw/zinc/95/30/15/546953015.db2.gz FHXMAERKBCVVNV-VXGBXAGGSA-N 0 3 368.415 0.084 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544654 546953485 /nfs/dbraw/zinc/95/34/85/546953485.db2.gz FHXMAERKBCVVNV-NWDGAFQWSA-N 0 3 368.415 0.084 20 5 FCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000592554731 546954269 /nfs/dbraw/zinc/95/42/69/546954269.db2.gz NXTDIEDQFMZLNL-RYUDHWBXSA-N 0 3 353.354 0.210 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594008638 546995181 /nfs/dbraw/zinc/99/51/81/546995181.db2.gz XPNJOUURLPWUON-CQSZACIVSA-N 0 3 353.423 0.051 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593919415 546995450 /nfs/dbraw/zinc/99/54/50/546995450.db2.gz QJFMSONPUNCHSP-UHFFFAOYSA-N 0 3 370.431 0.379 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854196 599060299 /nfs/dbraw/zinc/06/02/99/599060299.db2.gz BJCFBWPUTYUJGW-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854196 599060302 /nfs/dbraw/zinc/06/03/02/599060302.db2.gz BJCFBWPUTYUJGW-AWEZNQCLSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1 ZINC000736856711 599060460 /nfs/dbraw/zinc/06/04/60/599060460.db2.gz MJBNGQCDPIGZCD-LBPRGKRZSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1 ZINC000736856711 599060463 /nfs/dbraw/zinc/06/04/63/599060463.db2.gz MJBNGQCDPIGZCD-LBPRGKRZSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1 ZINC000736856711 599060466 /nfs/dbraw/zinc/06/04/66/599060466.db2.gz MJBNGQCDPIGZCD-LBPRGKRZSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1 ZINC000736856711 599060469 /nfs/dbraw/zinc/06/04/69/599060469.db2.gz MJBNGQCDPIGZCD-LBPRGKRZSA-N 0 3 373.421 0.386 20 5 FCBDHN C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419494 599303340 /nfs/dbraw/zinc/30/33/40/599303340.db2.gz HCZKSAATFCGPIM-HZMBPMFUSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419494 599303342 /nfs/dbraw/zinc/30/33/42/599303342.db2.gz HCZKSAATFCGPIM-HZMBPMFUSA-N 0 3 358.362 0.683 20 5 FCBDHN O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738361715 598523675 /nfs/dbraw/zinc/52/36/75/598523675.db2.gz ZBSORPJKEQXLFS-LLVKDONJSA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738361715 598523677 /nfs/dbraw/zinc/52/36/77/598523677.db2.gz ZBSORPJKEQXLFS-LLVKDONJSA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738361717 598523766 /nfs/dbraw/zinc/52/37/66/598523766.db2.gz ZBSORPJKEQXLFS-NSHDSACASA-N 0 3 355.362 0.803 20 5 FCBDHN O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738361717 598523767 /nfs/dbraw/zinc/52/37/67/598523767.db2.gz ZBSORPJKEQXLFS-NSHDSACASA-N 0 3 355.362 0.803 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892331136 663561886 /nfs/dbraw/zinc/56/18/86/663561886.db2.gz UEYMCWUHRSETNX-UHFFFAOYSA-N 0 3 351.407 0.989 20 5 FCBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCC1 ZINC001025775398 664189322 /nfs/dbraw/zinc/18/93/22/664189322.db2.gz VXISGJJTRCNOFO-SSZWKKLZSA-N 0 3 350.419 0.147 20 5 FCBDHN Cc1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000152498053 666710972 /nfs/dbraw/zinc/71/09/72/666710972.db2.gz KNBYVSOWDFMHCJ-UHFFFAOYSA-N 0 3 350.423 0.606 20 5 FCBDHN CC1CCN(C(=O)CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001002782122 667561563 /nfs/dbraw/zinc/56/15/63/667561563.db2.gz IDOXRQNNVCRQHV-HUUCEWRRSA-N 0 3 352.435 0.491 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818612599 668921506 /nfs/dbraw/zinc/92/15/06/668921506.db2.gz UZHAPLFHHQNYBL-CYBMUJFWSA-N 0 3 350.375 0.150 20 5 FCBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(F)c1 ZINC000818949352 668964517 /nfs/dbraw/zinc/96/45/17/668964517.db2.gz KWUMWPOGUUJYMH-LLVKDONJSA-N 0 3 355.301 0.659 20 5 FCBDHN O=[N+]([O-])c1cnn(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819177415 668985804 /nfs/dbraw/zinc/98/58/04/668985804.db2.gz SREYSWBZAPUZAG-UHFFFAOYSA-N 0 3 369.359 0.763 20 5 FCBDHN CC(COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813106214 669827628 /nfs/dbraw/zinc/82/76/28/669827628.db2.gz ASQSTAZBJPLPTQ-LLVKDONJSA-N 0 3 358.372 0.530 20 5 FCBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[N+](=O)[O-] ZINC000813103639 669827634 /nfs/dbraw/zinc/82/76/34/669827634.db2.gz DCOJQKZRNOIVFQ-VIFPVBQESA-N 0 3 363.417 0.574 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000857649331 671732417 /nfs/dbraw/zinc/73/24/17/671732417.db2.gz RCLSKXOKUIRZOQ-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN O=C(CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001001400658 676070963 /nfs/dbraw/zinc/07/09/63/676070963.db2.gz VPBSAYLPBZEHTO-HUUCEWRRSA-N 0 3 352.435 0.539 20 5 FCBDHN CN(C)C(=O)C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000553253613 1193982271 /nfs/dbraw/zinc/98/22/71/1193982271.db2.gz SUAUEVMSBMPEFY-HOTGVXAUSA-N 0 3 361.402 0.961 20 5 FCBDHN Nc1ccc2n(C(=O)[C@H]3COC4(CNC4)CN3)c3ccccc3cc-2c1=O ZINC001219253753 1224403979 /nfs/dbraw/zinc/40/39/79/1224403979.db2.gz IOOJPBNUIFSDLQ-OAHLLOKOSA-N 0 3 364.405 0.659 20 5 FCBDHN Cc1nc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001098366256 1197721493 /nfs/dbraw/zinc/72/14/93/1197721493.db2.gz YNXJQORSSJASJO-GDBMZVCRSA-N 0 3 366.418 0.742 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nnc(-c3ccco3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363260 1198327905 /nfs/dbraw/zinc/32/79/05/1198327905.db2.gz KCRRMXWNOBKWKW-DDHJBXDOSA-N 0 3 361.358 0.979 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000808219787 1202876390 /nfs/dbraw/zinc/87/63/90/1202876390.db2.gz RXFIOHHWSOFZIV-CQSZACIVSA-N 0 3 364.402 0.206 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808222916 1202876867 /nfs/dbraw/zinc/87/68/67/1202876867.db2.gz PSBOBJOYGQEZLC-MLGOLLRUSA-N 0 3 362.386 0.661 20 5 FCBDHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813101579 1202990084 /nfs/dbraw/zinc/99/00/84/1202990084.db2.gz DPEPMKVMZTUFLI-QFYYESIMSA-N 0 3 365.342 0.671 20 5 FCBDHN COc1c(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1C ZINC000953926933 1213024065 /nfs/dbraw/zinc/02/40/65/1213024065.db2.gz JCAMKWHROOJGAD-DGCLKSJQSA-N 0 3 365.390 0.157 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cnccc2N(C)C)C1 ZINC000967950869 1215265975 /nfs/dbraw/zinc/26/59/75/1215265975.db2.gz YYSUFQHGEHTBOB-IUODEOHRSA-N 0 3 361.402 0.486 20 5 FCBDHN CCC1(NC(=O)Cn2ccnc2C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368572 1216786876 /nfs/dbraw/zinc/78/68/76/1216786876.db2.gz XQNUCOHMMMBSKE-ZIAGYGMSSA-N 0 3 363.418 0.744 20 5 FCBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)Cn2ccnc2C)CC1 ZINC001069387506 1216786935 /nfs/dbraw/zinc/78/69/35/1216786935.db2.gz SBKDZZNLPKMGCN-ZIAGYGMSSA-N 0 3 363.418 0.744 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)C2(C3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055592455 1219092521 /nfs/dbraw/zinc/09/25/21/1219092521.db2.gz PFVZWNHNRVCGMB-HUUCEWRRSA-N 0 3 364.446 0.539 20 5 FCBDHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(N[C@H]2CCOC2)C1 ZINC001157012482 1223065540 /nfs/dbraw/zinc/06/55/40/1223065540.db2.gz GGRUYYQZMCPFKR-MEDUHNTESA-N 0 3 360.370 0.677 20 5 FCBDHN CCOC(=O)c1cnc(NCc2nnn3c2CNCCC3)c([N+](=O)[O-])c1 ZINC001162973414 1223222504 /nfs/dbraw/zinc/22/25/04/1223222504.db2.gz SKUAOHYLGRITCZ-UHFFFAOYSA-N 0 3 361.362 0.863 20 5 FCBDHN Cc1nccn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944941623 1247686558 /nfs/dbraw/zinc/68/65/58/1247686558.db2.gz MQCRICRYLBNMMJ-ZIAGYGMSSA-N 0 3 361.402 0.308 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001328333087 1265534956 /nfs/dbraw/zinc/53/49/56/1265534956.db2.gz SGJINIMULPPKQP-ZDUSSCGKSA-N 0 3 362.394 0.404 20 5 FCBDHN CCOCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079156027 1255461564 /nfs/dbraw/zinc/46/15/64/1255461564.db2.gz FEEQCEPUIHYYDM-HUUCEWRRSA-N 0 3 370.450 0.119 20 5 FCBDHN CCN(C(=O)CCCCc1c[nH]nn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080132999 1255754673 /nfs/dbraw/zinc/75/46/73/1255754673.db2.gz DGDGXSIKBSDPLG-ZIAGYGMSSA-N 0 3 364.406 0.242 20 5 FCBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001336762233 1260217206 /nfs/dbraw/zinc/21/72/06/1260217206.db2.gz AQNBNFHTOYGWHA-AWEZNQCLSA-N 0 3 370.475 0.594 20 5 FCBDHN NCc1cn(C2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC001580351707 1278154620 /nfs/dbraw/zinc/15/46/20/1278154620.db2.gz MCBNFNMQPAYDNF-UHFFFAOYSA-N 0 3 350.766 0.924 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC001307836517 1263201491 /nfs/dbraw/zinc/20/14/91/1263201491.db2.gz HAXDQFBFNXSWTR-ZDUSSCGKSA-N 0 3 366.418 0.930 20 5 FCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CO)(CO)CC1 ZINC001308062975 1263208770 /nfs/dbraw/zinc/20/87/70/1263208770.db2.gz ZOCDQYQSUVSOBY-UHFFFAOYSA-N 0 3 365.386 0.960 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC001325607233 1264944330 /nfs/dbraw/zinc/94/43/30/1264944330.db2.gz OCTCSZIEADBJHM-UHFFFAOYSA-N 0 3 364.402 0.772 20 5 FCBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001344031617 1270079282 /nfs/dbraw/zinc/07/92/82/1270079282.db2.gz LZKNBXFOWGIYBJ-UONOGXRCSA-N 0 3 372.385 0.457 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC001592757500 1285679975 /nfs/dbraw/zinc/67/99/75/1285679975.db2.gz KSLBOSHKHRRNFU-NXEZZACHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC001592757500 1285679979 /nfs/dbraw/zinc/67/99/79/1285679979.db2.gz KSLBOSHKHRRNFU-NXEZZACHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC001592757500 1285679985 /nfs/dbraw/zinc/67/99/85/1285679985.db2.gz KSLBOSHKHRRNFU-NXEZZACHSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC001592757500 1285679991 /nfs/dbraw/zinc/67/99/91/1285679991.db2.gz KSLBOSHKHRRNFU-NXEZZACHSA-N 0 3 360.378 0.632 20 5 FCBDHN O=C(NCCCNCc1nc(CC(F)(F)F)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157774839 849993368 /nfs/dbraw/zinc/99/33/68/849993368.db2.gz COCOWZDENDUVHV-HTQZYQBOSA-N 0 3 351.285 0.436 20 5 FCBDHN COc1ncnc(N([C@H]2CCCNC2)S(=O)(=O)C(C)C)c1[N+](=O)[O-] ZINC001157991847 850010079 /nfs/dbraw/zinc/01/00/79/850010079.db2.gz ABXDHGNJCXMBIJ-JTQLQIEISA-N 0 3 359.408 0.690 20 5 FCBDHN COC(=O)CNC(=O)CN[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185017 850719313 /nfs/dbraw/zinc/71/93/13/850719313.db2.gz UMDKHVYEPJMKEX-SECBINFHSA-N 0 3 357.338 0.552 20 5 FCBDHN CN(C)C1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695520 850734410 /nfs/dbraw/zinc/73/44/10/850734410.db2.gz FHXSDWXIWJZBNC-UHFFFAOYSA-N 0 3 368.459 0.994 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC001303801608 866464891 /nfs/dbraw/zinc/46/48/91/866464891.db2.gz ORRVSTXKNIDRJT-CMPLNLGQSA-N 0 3 350.375 0.542 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001303801611 866467272 /nfs/dbraw/zinc/46/72/72/866467272.db2.gz ORRVSTXKNIDRJT-ZYHUDNBSSA-N 0 3 350.375 0.542 20 5 FCBDHN CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001304084851 866495269 /nfs/dbraw/zinc/49/52/69/866495269.db2.gz QBPIZWZJTWYBHS-SNVBAGLBSA-N 0 3 369.399 0.201 20 5 FCBDHN O=C(CC[C@@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292201039 214086193 /nfs/dbraw/zinc/08/61/93/214086193.db2.gz YENFTAXFEDOSFE-LBPRGKRZSA-N 0 3 370.431 0.522 20 5 FCBDHN O=Cc1ccc(OCC(=O)N[C@@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000298678314 214593670 /nfs/dbraw/zinc/59/36/70/214593670.db2.gz UOXIWBGRMBGXRU-CQSZACIVSA-N 0 3 365.386 0.749 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000265829979 210228983 /nfs/dbraw/zinc/22/89/83/210228983.db2.gz DGHXBINROKEHLL-UHFFFAOYSA-N 0 3 352.391 0.859 20 5 FCBDHN CNS(=O)(=O)c1ccc(N[C@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000288855920 213816023 /nfs/dbraw/zinc/81/60/23/213816023.db2.gz DRPVJQNGFADHKH-LBPRGKRZSA-N 0 3 372.447 0.762 20 5 FCBDHN COCCN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265401389 210122653 /nfs/dbraw/zinc/12/26/53/210122653.db2.gz TZUNCLAWQRQFIG-UHFFFAOYSA-N 0 3 358.782 0.881 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000264957251 210024710 /nfs/dbraw/zinc/02/47/10/210024710.db2.gz YXXWOVPZOJIRRM-UHFFFAOYSA-N 0 3 363.418 0.707 20 5 FCBDHN O=C(CNC1(CO)CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264750207 209970039 /nfs/dbraw/zinc/97/00/39/209970039.db2.gz WDVSLOLIVRXWNS-UHFFFAOYSA-N 0 3 353.331 0.393 20 5 FCBDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369360654 216390201 /nfs/dbraw/zinc/39/02/01/216390201.db2.gz XUMJPIDOPUPOFT-AWEZNQCLSA-N 0 3 368.459 0.995 20 5 FCBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189458452 209251695 /nfs/dbraw/zinc/25/16/95/209251695.db2.gz BLUYDUQPQYSCQF-LBPRGKRZSA-N 0 3 350.419 0.971 20 5 FCBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275601191 212058735 /nfs/dbraw/zinc/05/87/35/212058735.db2.gz KUDKZWDDBFXNNV-ZJUUUORDSA-N 0 3 364.358 0.896 20 5 FCBDHN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCCNCC1 ZINC000415327058 245386714 /nfs/dbraw/zinc/38/67/14/245386714.db2.gz XDXMMQAUQZDMEN-UHFFFAOYSA-N 0 3 364.358 0.517 20 5 FCBDHN O=C1Nc2ccccc2[C@]12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000375319636 217249581 /nfs/dbraw/zinc/24/95/81/217249581.db2.gz NDOWWSVJENHYJA-CXAGYDPISA-N 0 3 357.370 0.748 20 5 FCBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419362096 246118682 /nfs/dbraw/zinc/11/86/82/246118682.db2.gz YCIMROBBHAATRW-SNVBAGLBSA-N 0 3 362.390 0.577 20 5 FCBDHN COc1cc(OCC(=O)NC[C@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000420052841 246440645 /nfs/dbraw/zinc/44/06/45/246440645.db2.gz XCLXIKCYBDCTEP-MRXNPFEDSA-N 0 3 355.391 0.801 20 5 FCBDHN CO[C@@H](CN)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423900328 247147953 /nfs/dbraw/zinc/14/79/53/247147953.db2.gz LZURIUFSZYBWGR-AWEZNQCLSA-N 0 3 362.390 0.484 20 5 FCBDHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424396537 247207386 /nfs/dbraw/zinc/20/73/86/247207386.db2.gz XRUBXVHXBYWZTC-NWDGAFQWSA-N 0 3 351.388 0.444 20 5 FCBDHN Cc1nn(CCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c(C)c1[N+](=O)[O-] ZINC000424228114 247181519 /nfs/dbraw/zinc/18/15/19/247181519.db2.gz SFBQJMYTWGSYSG-UONOGXRCSA-N 0 3 361.406 0.485 20 5 FCBDHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000441229520 248244354 /nfs/dbraw/zinc/24/43/54/248244354.db2.gz KTTMYZXPKZZPPJ-ZBFHGGJFSA-N 0 3 368.386 0.580 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452366139 249311921 /nfs/dbraw/zinc/31/19/21/249311921.db2.gz OMAJXRBNLORNRW-GFCCVEGCSA-N 0 3 351.359 0.900 20 5 FCBDHN C[NH+](C)CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000457252082 249575805 /nfs/dbraw/zinc/57/58/05/249575805.db2.gz WFSPBWOORVEUMA-UHFFFAOYSA-N 0 3 358.420 0.330 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270573061 211225566 /nfs/dbraw/zinc/22/55/66/211225566.db2.gz BVUVNACVQNTTPT-CVEARBPZSA-N 0 3 373.413 0.791 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269972069 211129956 /nfs/dbraw/zinc/12/99/56/211129956.db2.gz ZVSTVZVUQAQYKG-CQSZACIVSA-N 0 3 358.782 0.616 20 5 FCBDHN CCCC(=O)NC[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075683457 208062282 /nfs/dbraw/zinc/06/22/82/208062282.db2.gz LCZJDDGYYZCAFT-HIFRSBDPSA-N 0 3 353.423 0.781 20 5 FCBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075683455 208062329 /nfs/dbraw/zinc/06/23/29/208062329.db2.gz LCZJDDGYYZCAFT-ZFWWWQNUSA-N 0 3 353.423 0.781 20 5 FCBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000075649931 208063068 /nfs/dbraw/zinc/06/30/68/208063068.db2.gz LYOOUYDNAWJGBO-IVSAIRAKSA-N 0 3 367.450 0.726 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112918329 208304566 /nfs/dbraw/zinc/30/45/66/208304566.db2.gz RXZZNGOPGBPAQA-UHFFFAOYSA-N 0 3 351.363 0.870 20 5 FCBDHN CCN1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000117705660 208346331 /nfs/dbraw/zinc/34/63/31/208346331.db2.gz OGDJJAGSUCRSJZ-GFCCVEGCSA-N 0 3 362.386 0.921 20 5 FCBDHN Cc1nn(CCC(=O)NCCCN2CCC(O)CC2)c(C)c1[N+](=O)[O-] ZINC000118723102 208351263 /nfs/dbraw/zinc/35/12/63/208351263.db2.gz AQNPJVXKKHIPDX-UHFFFAOYSA-N 0 3 353.423 0.761 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000266702232 210385318 /nfs/dbraw/zinc/38/53/18/210385318.db2.gz RVTKNKHOJNQOMV-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000266745818 210394347 /nfs/dbraw/zinc/39/43/47/210394347.db2.gz XKZPTKZEVQHFNR-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000161450968 229199511 /nfs/dbraw/zinc/19/95/11/229199511.db2.gz HPXOHCALBMGNIK-LBPRGKRZSA-N 0 3 351.812 0.839 20 5 FCBDHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCCN(C)C1 ZINC000266161770 229360081 /nfs/dbraw/zinc/36/00/81/229360081.db2.gz QMNIGQNEJZWHOY-NSHDSACASA-N 0 3 360.370 0.743 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCN2CCN(C)CC2)n1 ZINC000287401440 488866613 /nfs/dbraw/zinc/86/66/13/488866613.db2.gz PLVLDMVTSSCEOF-UHFFFAOYSA-N 0 3 351.407 0.850 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301552269 488881731 /nfs/dbraw/zinc/88/17/31/488881731.db2.gz VSUOYMPBEXGYMT-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000026758246 487683964 /nfs/dbraw/zinc/68/39/64/487683964.db2.gz BZTOUHSMMCWZOR-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000041923129 487846835 /nfs/dbraw/zinc/84/68/35/487846835.db2.gz ARRYOXMSJJYMOT-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000046408684 487980705 /nfs/dbraw/zinc/98/07/05/487980705.db2.gz QGRKGJRAGOYVPS-GFCCVEGCSA-N 0 3 362.386 0.921 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCC[NH2+]1 ZINC000364476088 488963356 /nfs/dbraw/zinc/96/33/56/488963356.db2.gz CWGHZFBHSWRYAL-LBPRGKRZSA-N 0 3 370.431 0.522 20 5 FCBDHN Cc1c(NC(=O)C(=O)NCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000049278490 488094388 /nfs/dbraw/zinc/09/43/88/488094388.db2.gz GYNWXAZIURVCPX-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCC[NH2+]1 ZINC000364476084 488963605 /nfs/dbraw/zinc/96/36/05/488963605.db2.gz CWGHZFBHSWRYAL-GFCCVEGCSA-N 0 3 370.431 0.522 20 5 FCBDHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000069902518 488374464 /nfs/dbraw/zinc/37/44/64/488374464.db2.gz HGAFCRIJQJZNNC-UHFFFAOYSA-N 0 3 362.386 0.873 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083412997 488448236 /nfs/dbraw/zinc/44/82/36/488448236.db2.gz ILACMWPFSLWQII-GOEBONIOSA-N 0 3 354.407 0.812 20 5 FCBDHN COc1ccc([C@@H](CO)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247709911 488489659 /nfs/dbraw/zinc/48/96/59/488489659.db2.gz ZWKIJRJKXYGNAK-GOEBONIOSA-N 0 3 350.375 0.826 20 5 FCBDHN Cc1nn(C)c(C(=O)NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000554454817 491203129 /nfs/dbraw/zinc/20/31/29/491203129.db2.gz ULPCDRJQEKRBNS-UHFFFAOYSA-N 0 3 366.422 0.359 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248827899 488503110 /nfs/dbraw/zinc/50/31/10/488503110.db2.gz HDJOWKNSSQITJM-QLFBSQMISA-N 0 3 353.419 0.721 20 5 FCBDHN COc1ccc(NC(=O)CN2CCNC[C@H]2c2nccn2C)c([N+](=O)[O-])c1 ZINC000261653054 488529546 /nfs/dbraw/zinc/52/95/46/488529546.db2.gz AEBSOCQRSRHEBQ-HNNXBMFYSA-N 0 3 374.401 0.922 20 5 FCBDHN COCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262234016 488558824 /nfs/dbraw/zinc/55/88/24/488558824.db2.gz OFJJDBMWGAKWOT-UHFFFAOYSA-N 0 3 373.431 0.898 20 5 FCBDHN C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272616304 488592557 /nfs/dbraw/zinc/59/25/57/488592557.db2.gz TXRVEKHHBVIHSN-ZJUUUORDSA-N 0 3 352.416 0.995 20 5 FCBDHN CN1CCC(O)(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272937626 488618934 /nfs/dbraw/zinc/61/89/34/488618934.db2.gz HXNSFZLBXMHNIX-UHFFFAOYSA-N 0 3 370.793 0.760 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000273019822 488626125 /nfs/dbraw/zinc/62/61/25/488626125.db2.gz CKWWUOSRTDFTCA-INIZCTEOSA-N 0 3 352.391 0.062 20 5 FCBDHN C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C1CC1 ZINC000263960600 488639009 /nfs/dbraw/zinc/63/90/09/488639009.db2.gz WWLJYDKOYIZOLP-SNVBAGLBSA-N 0 3 360.370 0.790 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264241446 488657725 /nfs/dbraw/zinc/65/77/25/488657725.db2.gz CGYVJWPWXZQZNN-UHFFFAOYSA-N 0 3 368.390 0.579 20 5 FCBDHN O=C1NCCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000135403645 488672418 /nfs/dbraw/zinc/67/24/18/488672418.db2.gz PQTYBYADNFGIGX-CQSZACIVSA-N 0 3 352.395 0.032 20 5 FCBDHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000152321234 488715676 /nfs/dbraw/zinc/71/56/76/488715676.db2.gz LIFQJKOOQFPFEX-UHFFFAOYSA-N 0 3 366.422 0.674 20 5 FCBDHN COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000266825582 488734352 /nfs/dbraw/zinc/73/43/52/488734352.db2.gz KKFLAVYZCXFQMG-ZDUSSCGKSA-N 0 3 364.402 0.630 20 5 FCBDHN CS[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275175961 488769116 /nfs/dbraw/zinc/76/91/16/488769116.db2.gz XXENBOYDZBUYII-HIFRSBDPSA-N 0 3 366.443 0.795 20 5 FCBDHN Cn1cc(C(=O)NCC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000176231637 488857928 /nfs/dbraw/zinc/85/79/28/488857928.db2.gz LFYUYHSECALZEH-UHFFFAOYSA-N 0 3 361.406 0.667 20 5 FCBDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288578111 488993464 /nfs/dbraw/zinc/99/34/64/488993464.db2.gz RYSHKJJTJNFGNE-UHFFFAOYSA-N 0 3 374.401 0.640 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365629588 489094126 /nfs/dbraw/zinc/09/41/26/489094126.db2.gz NJSBZDGKMGYATG-AWEZNQCLSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365629588 489094129 /nfs/dbraw/zinc/09/41/29/489094129.db2.gz NJSBZDGKMGYATG-AWEZNQCLSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365629588 489094131 /nfs/dbraw/zinc/09/41/31/489094131.db2.gz NJSBZDGKMGYATG-AWEZNQCLSA-N 0 3 363.418 0.936 20 5 FCBDHN O=C(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000570323051 491234058 /nfs/dbraw/zinc/23/40/58/491234058.db2.gz QBDYATRJHZMXCH-ZDUSSCGKSA-N 0 3 353.375 0.173 20 5 FCBDHN COC(=O)Nc1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000370246686 489334490 /nfs/dbraw/zinc/33/44/90/489334490.db2.gz HUEBYQDFYHSDHT-UHFFFAOYSA-N 0 3 358.376 0.757 20 5 FCBDHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1OC ZINC000570580996 491251291 /nfs/dbraw/zinc/25/12/91/491251291.db2.gz AWHBBAOHEUJHDN-QGZVFWFLSA-N 0 3 365.386 0.799 20 5 FCBDHN C[C@H]1CCN[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000423080544 489491866 /nfs/dbraw/zinc/49/18/66/489491866.db2.gz BRTOHAAYQLSMKW-SMDDNHRTSA-N 0 3 370.431 0.377 20 5 FCBDHN COC(=O)c1cn([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000371845112 489517549 /nfs/dbraw/zinc/51/75/49/489517549.db2.gz AFYKZJVKSFSHIT-ZFWWWQNUSA-N 0 3 361.358 0.953 20 5 FCBDHN CN(C)CCOC1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426979916 489589536 /nfs/dbraw/zinc/58/95/36/489589536.db2.gz GPAPBQAVRJVZAQ-UHFFFAOYSA-N 0 3 354.411 0.544 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)CNC2CC2)c([N+](=O)[O-])c1 ZINC000570833059 491268316 /nfs/dbraw/zinc/26/83/16/491268316.db2.gz LWMQYNBICQXTIY-UHFFFAOYSA-N 0 3 356.404 0.278 20 5 FCBDHN NC[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000418806650 489732090 /nfs/dbraw/zinc/73/20/90/489732090.db2.gz JOZQHMUKBVEAOV-LBPRGKRZSA-N 0 3 354.794 0.760 20 5 FCBDHN CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489927006 489735759 /nfs/dbraw/zinc/73/57/59/489735759.db2.gz RQNGWYDWZDODJY-AWEZNQCLSA-N 0 3 370.431 0.555 20 5 FCBDHN CCCN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000563888713 491274957 /nfs/dbraw/zinc/27/49/57/491274957.db2.gz SDLBYLUZDRKRKP-LBPRGKRZSA-N 0 3 370.431 0.474 20 5 FCBDHN COC(=O)COc1ccc(CN[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000474344212 489755475 /nfs/dbraw/zinc/75/54/75/489755475.db2.gz HLSLDSVGMWKWKZ-ZDUSSCGKSA-N 0 3 367.402 0.957 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474347164 489755662 /nfs/dbraw/zinc/75/56/62/489755662.db2.gz DMVZFCOXUXIHEG-JSGCOSHPSA-N 0 3 354.359 0.634 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000376664550 489772198 /nfs/dbraw/zinc/77/21/98/489772198.db2.gz QFSDUDQOSQCBLL-ZWNOBZJWSA-N 0 3 368.415 0.408 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000490570808 489774955 /nfs/dbraw/zinc/77/49/55/489774955.db2.gz XJKZCTMZGWSCMG-UHFFFAOYSA-N 0 3 364.402 0.887 20 5 FCBDHN COc1ccc(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000418951545 489802490 /nfs/dbraw/zinc/80/24/90/489802490.db2.gz UMTJZTLZCAXMLY-GFCCVEGCSA-N 0 3 352.391 0.709 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000432538219 489846185 /nfs/dbraw/zinc/84/61/85/489846185.db2.gz YYOPYQZDVCXKPM-UHFFFAOYSA-N 0 3 350.419 0.715 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000564019921 491284048 /nfs/dbraw/zinc/28/40/48/491284048.db2.gz RWFDXIWTWVRFND-UHFFFAOYSA-N 0 3 366.418 0.556 20 5 FCBDHN C[C@@H](CN)NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420020512 489882906 /nfs/dbraw/zinc/88/29/06/489882906.db2.gz FPBNMYOLKVLJDU-NSHDSACASA-N 0 3 350.375 0.428 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604054 490001509 /nfs/dbraw/zinc/00/15/09/490001509.db2.gz QVYUBPVIBJPNGB-AWEZNQCLSA-N 0 3 361.402 0.437 20 5 FCBDHN CN(C)CCOc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccn1 ZINC000478039650 490002314 /nfs/dbraw/zinc/00/23/14/490002314.db2.gz IMAOEHBLIPWWDJ-UHFFFAOYSA-N 0 3 361.358 0.731 20 5 FCBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000466943222 490230399 /nfs/dbraw/zinc/23/03/99/490230399.db2.gz ODRPCWZISJDZQC-LLVKDONJSA-N 0 3 365.390 0.935 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000422343397 490269352 /nfs/dbraw/zinc/26/93/52/490269352.db2.gz SRFDVJYTMLHTBJ-GFCCVEGCSA-N 0 3 374.401 0.640 20 5 FCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449671031 490420352 /nfs/dbraw/zinc/42/03/52/490420352.db2.gz YTRDEPSGAVZVKF-GFCCVEGCSA-N 0 3 352.301 0.903 20 5 FCBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000499839489 490462414 /nfs/dbraw/zinc/46/24/14/490462414.db2.gz PMDXLJJDCXACIM-UHFFFAOYSA-N 0 3 363.418 0.707 20 5 FCBDHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000571776734 491328344 /nfs/dbraw/zinc/32/83/44/491328344.db2.gz KIMBKDRBDRGFMQ-WDEREUQCSA-N 0 3 367.793 0.431 20 5 FCBDHN CCN1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000509918727 490475796 /nfs/dbraw/zinc/47/57/96/490475796.db2.gz UMHWUPSWIDXRNX-UHFFFAOYSA-N 0 3 365.434 0.290 20 5 FCBDHN C[NH2+]C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422890530 490493313 /nfs/dbraw/zinc/49/33/13/490493313.db2.gz IMDYQRSYQASJDR-NSHDSACASA-N 0 3 356.404 0.084 20 5 FCBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCN(CCc2ccccn2)CC1 ZINC000500774957 490551091 /nfs/dbraw/zinc/55/10/91/490551091.db2.gz UKMOQQSQBJLYHM-UHFFFAOYSA-N 0 3 373.417 0.747 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000537962890 490703452 /nfs/dbraw/zinc/70/34/52/490703452.db2.gz PCWNXNDKMGFORC-FZMZJTMJSA-N 0 3 371.415 0.715 20 5 FCBDHN CS(=O)(=O)N1CC[C@H](N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000565090026 491352877 /nfs/dbraw/zinc/35/28/77/491352877.db2.gz WZKJFIQLGFYVLQ-RWMBFGLXSA-N 0 3 357.436 0.899 20 5 FCBDHN CS(=O)(=O)CCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516050292 490847747 /nfs/dbraw/zinc/84/77/47/490847747.db2.gz QZJVGSZGAKSSFJ-UHFFFAOYSA-N 0 3 364.445 0.783 20 5 FCBDHN Nc1c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc(F)cc1[N+](=O)[O-] ZINC000517139595 490896201 /nfs/dbraw/zinc/89/62/01/490896201.db2.gz JWAPFBAHXSNTOM-UHFFFAOYSA-N 0 3 350.314 0.096 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCN(C2CC2)C1 ZINC000517403913 490907907 /nfs/dbraw/zinc/90/79/07/490907907.db2.gz FTJXQPMLBKYHQE-SNVBAGLBSA-N 0 3 358.354 0.544 20 5 FCBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000518561871 490945173 /nfs/dbraw/zinc/94/51/73/490945173.db2.gz SDMXHVPERXSLJS-UHFFFAOYSA-N 0 3 360.374 0.837 20 5 FCBDHN O=C1NC(=O)C2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000544131977 490958839 /nfs/dbraw/zinc/95/88/39/490958839.db2.gz AVMUTLYXGGRVGP-NSHDSACASA-N 0 3 364.358 0.009 20 5 FCBDHN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566071480 491415707 /nfs/dbraw/zinc/41/57/07/491415707.db2.gz OCZZTYBTQMWMRU-MNOVXSKESA-N 0 3 356.404 0.069 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2Cn2cncn2)c1 ZINC000566106637 491417610 /nfs/dbraw/zinc/41/76/10/491417610.db2.gz VZKFIIHJVCCIKW-INIZCTEOSA-N 0 3 357.374 0.582 20 5 FCBDHN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCN(C)C ZINC000573240297 491422138 /nfs/dbraw/zinc/42/21/38/491422138.db2.gz REHZTXJBGHFIAB-GFCCVEGCSA-N 0 3 374.401 0.577 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000574453679 491497787 /nfs/dbraw/zinc/49/77/87/491497787.db2.gz AXAZGXSUJBGQJY-QWRGUYRKSA-N 0 3 356.404 0.130 20 5 FCBDHN Cc1c(Br)c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000574532761 491502817 /nfs/dbraw/zinc/50/28/17/491502817.db2.gz QDPYIGMBNIXQGK-IUCAKERBSA-N 0 3 370.207 0.809 20 5 FCBDHN CCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000574771437 491519307 /nfs/dbraw/zinc/51/93/07/491519307.db2.gz WJGWMKQTSJLKOI-WCQYABFASA-N 0 3 368.415 0.090 20 5 FCBDHN Cc1n[n-]c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000560530231 491543945 /nfs/dbraw/zinc/54/39/45/491543945.db2.gz XBXNCNBZWAVZMX-LLVKDONJSA-N 0 3 350.379 0.051 20 5 FCBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000568783108 491609476 /nfs/dbraw/zinc/60/94/76/491609476.db2.gz MSLWVHRLOWGLMK-GXSJLCMTSA-N 0 3 374.806 0.181 20 5 FCBDHN Cc1c(C(=O)N2CCN(C)C[C@@H]2CN)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000576874888 491652889 /nfs/dbraw/zinc/65/28/89/491652889.db2.gz CJMSQOJMYABRGO-AWEZNQCLSA-N 0 3 359.390 0.199 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000562176801 491657918 /nfs/dbraw/zinc/65/79/18/491657918.db2.gz XFZGCFXILZWUNM-UHFFFAOYSA-N 0 3 367.406 0.180 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000562176801 491657920 /nfs/dbraw/zinc/65/79/20/491657920.db2.gz XFZGCFXILZWUNM-UHFFFAOYSA-N 0 3 367.406 0.180 20 5 FCBDHN CCc1n[n-]c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000562176801 491657922 /nfs/dbraw/zinc/65/79/22/491657922.db2.gz XFZGCFXILZWUNM-UHFFFAOYSA-N 0 3 367.406 0.180 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578481331 491678163 /nfs/dbraw/zinc/67/81/63/491678163.db2.gz BRZOZIHIXZQGDF-OAHLLOKOSA-N 0 3 352.435 0.656 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000579113020 491691261 /nfs/dbraw/zinc/69/12/61/491691261.db2.gz BPBWZSOXUDFYGL-TZMCWYRMSA-N 0 3 358.416 0.749 20 5 FCBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579344639 491695911 /nfs/dbraw/zinc/69/59/11/491695911.db2.gz JYNYEUYWHSORDQ-WCQYABFASA-N 0 3 361.420 0.252 20 5 FCBDHN N[C@@H]1C[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CCN2C1=O ZINC000579615403 491701740 /nfs/dbraw/zinc/70/17/40/491701740.db2.gz HMTYFNZTCFINAB-QWHCGFSZSA-N 0 3 359.386 0.235 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(F)cc3c2OCOC3)c1 ZINC000580710076 491742409 /nfs/dbraw/zinc/74/24/09/491742409.db2.gz SQWMGYPUZAUXSY-CQSZACIVSA-N 0 3 352.322 0.948 20 5 FCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000588882238 491751067 /nfs/dbraw/zinc/75/10/67/491751067.db2.gz NSIGPEYLLQFKMS-CYBMUJFWSA-N 0 3 364.402 0.504 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(N3CCOCC3)CC2)cc1 ZINC000581424988 491772608 /nfs/dbraw/zinc/77/26/08/491772608.db2.gz QSVOCTOOLJVONV-UHFFFAOYSA-N 0 3 369.443 0.823 20 5 FCBDHN CN1CCN(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000590563033 491779479 /nfs/dbraw/zinc/77/94/79/491779479.db2.gz OSVCHKBNNRAMFW-UHFFFAOYSA-N 0 3 351.382 0.636 20 5 FCBDHN CN(CC(=O)N1CC(CN2CCN(C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590562365 491779624 /nfs/dbraw/zinc/77/96/24/491779624.db2.gz JPHLMNYXKCULFR-UHFFFAOYSA-N 0 3 361.446 0.737 20 5 FCBDHN Nc1n[nH]c(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000590601444 491780600 /nfs/dbraw/zinc/78/06/00/491780600.db2.gz XBUNDGUIPSQHHE-GFCCVEGCSA-N 0 3 362.390 0.914 20 5 FCBDHN COC(=O)c1cc(NC(=O)N2CCN(C)C[C@H]2CN)c(C)c([N+](=O)[O-])c1 ZINC000582289277 491805815 /nfs/dbraw/zinc/80/58/15/491805815.db2.gz RCTRSFMTMLPZKU-GFCCVEGCSA-N 0 3 365.390 0.796 20 5 FCBDHN COCC(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591725104 491822650 /nfs/dbraw/zinc/82/26/50/491822650.db2.gz BMFDBTXKLVASIY-OAHLLOKOSA-N 0 3 363.374 0.527 20 5 FCBDHN Cc1c(NC(=O)CCNC2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000595729973 491950344 /nfs/dbraw/zinc/95/03/44/491950344.db2.gz YAWNICXWSSTDTD-UHFFFAOYSA-N 0 3 350.375 0.856 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(N)=O)CCOCC1 ZINC000595727784 491950572 /nfs/dbraw/zinc/95/05/72/491950572.db2.gz CXDNRTQLZZNEED-UHFFFAOYSA-N 0 3 366.374 0.556 20 5 FCBDHN C[N@@H+]1CCCN(CCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603398679 492030603 /nfs/dbraw/zinc/03/06/03/492030603.db2.gz CHHKJWOKSJIPJL-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN C[N@H+]1CCCN(CCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603398679 492030606 /nfs/dbraw/zinc/03/06/06/492030606.db2.gz CHHKJWOKSJIPJL-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614920925 492064291 /nfs/dbraw/zinc/06/42/91/492064291.db2.gz YYDHOXQLGRXWMW-AWEZNQCLSA-N 0 3 353.419 0.723 20 5 FCBDHN C[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597994496 492076724 /nfs/dbraw/zinc/07/67/24/492076724.db2.gz ZDSYKQYXVUMGLL-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598571205 492105173 /nfs/dbraw/zinc/10/51/73/492105173.db2.gz HXDGMXSNBQMHTL-ZDUSSCGKSA-N 0 3 370.431 0.621 20 5 FCBDHN COCCN1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896910 492120791 /nfs/dbraw/zinc/12/07/91/492120791.db2.gz RLVGYIADIIIRBD-CYBMUJFWSA-N 0 3 365.390 0.553 20 5 FCBDHN CN(C)CCOCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901502 492121560 /nfs/dbraw/zinc/12/15/60/492121560.db2.gz GMQZTFCJECQHEU-UHFFFAOYSA-N 0 3 353.379 0.411 20 5 FCBDHN CCOC(=O)c1ccnc(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599109609 492136462 /nfs/dbraw/zinc/13/64/62/492136462.db2.gz VJOBQURCPPIDKS-UHFFFAOYSA-N 0 3 363.418 0.850 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000608861442 492194790 /nfs/dbraw/zinc/19/47/90/492194790.db2.gz WQOOEQPHYZCTGB-NSHDSACASA-N 0 3 350.379 0.181 20 5 FCBDHN C[C@]1(CO)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599623164 492194794 /nfs/dbraw/zinc/19/47/94/492194794.db2.gz HEIZGCFHJCGQCG-XYPHTWIQSA-N 0 3 354.403 0.647 20 5 FCBDHN CN1CCC[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609387964 492207658 /nfs/dbraw/zinc/20/76/58/492207658.db2.gz UAXPIJVLJQJYLR-NSHDSACASA-N 0 3 371.415 0.986 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000610367544 492243407 /nfs/dbraw/zinc/24/34/07/492243407.db2.gz UJWLWPZDPSMLPY-JKSUJKDBSA-N 0 3 353.423 0.339 20 5 FCBDHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610810719 492263141 /nfs/dbraw/zinc/26/31/41/492263141.db2.gz YYNLUWLRCOBSFM-ZDUSSCGKSA-N 0 3 356.448 0.823 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619498471 492266518 /nfs/dbraw/zinc/26/65/18/492266518.db2.gz JSRCRKRYAASJCP-UHFFFAOYSA-N 0 3 372.447 0.519 20 5 FCBDHN COC(=O)c1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000424226939 536873638 /nfs/dbraw/zinc/87/36/38/536873638.db2.gz PRFLBHNOGCIPEE-LSDHHAIUSA-N 0 3 373.369 0.682 20 5 FCBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202572 546946195 /nfs/dbraw/zinc/94/61/95/546946195.db2.gz FWPMEEFNQSCUBI-NWDGAFQWSA-N 0 3 351.359 0.779 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592489352 546951782 /nfs/dbraw/zinc/95/17/82/546951782.db2.gz QWLQKYKQFAMSCK-CQSZACIVSA-N 0 3 350.375 0.760 20 5 FCBDHN CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544721 546953406 /nfs/dbraw/zinc/95/34/06/546953406.db2.gz IKPKKVQTTKOLPX-NEPJUHHUSA-N 0 3 370.431 0.459 20 5 FCBDHN O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501093 608016688 /nfs/dbraw/zinc/01/66/88/608016688.db2.gz ZDKVALIUIWYYHC-LLVKDONJSA-N 0 3 360.378 0.835 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000993081549 666780600 /nfs/dbraw/zinc/78/06/00/666780600.db2.gz MRPSMPNUVHSPDV-VXGBXAGGSA-N 0 3 352.416 0.416 20 5 FCBDHN CCOc1nnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000996439906 666920451 /nfs/dbraw/zinc/92/04/51/666920451.db2.gz ISHWHAHEWQFTMZ-GHMZBOCLSA-N 0 3 355.420 0.683 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001002365039 667537093 /nfs/dbraw/zinc/53/70/93/667537093.db2.gz VQDAHOMYSAHQIU-CHWSQXEVSA-N 0 3 366.443 0.663 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801204 668732365 /nfs/dbraw/zinc/73/23/65/668732365.db2.gz QCQMAPNXRUGXFT-AAEUAGOBSA-N 0 3 356.404 0.517 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813108603 669827548 /nfs/dbraw/zinc/82/75/48/669827548.db2.gz IBSBQJILCNWQKA-WCQYABFASA-N 0 3 372.399 0.966 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813108604 669827612 /nfs/dbraw/zinc/82/76/12/669827612.db2.gz IBSBQJILCNWQKA-YPMHNXCESA-N 0 3 372.399 0.966 20 5 FCBDHN Cc1nn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)n1C ZINC000847737305 671221275 /nfs/dbraw/zinc/22/12/75/671221275.db2.gz NELFEVLTLFLWAH-OTYXRUKQSA-N 0 3 352.322 0.979 20 5 FCBDHN CC(C)=C(F)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055558926 676023807 /nfs/dbraw/zinc/02/38/07/676023807.db2.gz HRZUNHZJFORNHW-CHWSQXEVSA-N 0 3 356.398 0.612 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cncs1 ZINC001055575092 676024660 /nfs/dbraw/zinc/02/46/60/676024660.db2.gz LRDWUDGXLHIULD-VXGBXAGGSA-N 0 3 367.431 0.119 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccs1 ZINC001055575080 676024804 /nfs/dbraw/zinc/02/48/04/676024804.db2.gz LETPBOQLFYBNEL-CHWSQXEVSA-N 0 3 366.443 0.724 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2nnnn2Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063862 1170549617 /nfs/dbraw/zinc/54/96/17/1170549617.db2.gz MYCCOOBUOUYDFC-LXTVHRRPSA-N 0 3 371.401 0.123 20 5 FCBDHN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(C2CCOCC2)CC1 ZINC000747471985 1202878087 /nfs/dbraw/zinc/87/80/87/1202878087.db2.gz SESNYNGUUUFGBP-UHFFFAOYSA-N 0 3 374.397 0.945 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000819837710 1203172070 /nfs/dbraw/zinc/17/20/70/1203172070.db2.gz QFTQCDDSUPXNLF-CQSZACIVSA-N 0 3 359.386 0.967 20 5 FCBDHN NC(=O)[C@](O)(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844050 1209521725 /nfs/dbraw/zinc/52/17/25/1209521725.db2.gz QENNTCZYHUPHGA-KDOFPFPSSA-N 0 3 371.397 0.849 20 5 FCBDHN NC(=O)[C@@](O)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844049 1209521901 /nfs/dbraw/zinc/52/19/01/1209521901.db2.gz QENNTCZYHUPHGA-KBXCAEBGSA-N 0 3 371.397 0.849 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865619212 1209981660 /nfs/dbraw/zinc/98/16/60/1209981660.db2.gz PPEFACOKMVGNGS-CQSZACIVSA-N 0 3 366.393 0.969 20 5 FCBDHN O=C(CN1C[C@@H]2[C@H](O)CC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886578367 1210832530 /nfs/dbraw/zinc/83/25/30/1210832530.db2.gz SXICAOIUNOIPHF-FHLIZLRMSA-N 0 3 374.441 0.946 20 5 FCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000779603542 1212751170 /nfs/dbraw/zinc/75/11/70/1212751170.db2.gz HAJHHMSLPBHAQP-KRWDZBQOSA-N 0 3 365.430 0.787 20 5 FCBDHN O=C(CCc1c[nH]cn1)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010651799 1213805770 /nfs/dbraw/zinc/80/57/70/1213805770.db2.gz CATLSFKNIORCBQ-ZIAGYGMSSA-N 0 3 361.402 0.459 20 5 FCBDHN O=C(NCC1=CCN(C(=O)c2ccn3cncc3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017441197 1214095881 /nfs/dbraw/zinc/09/58/81/1214095881.db2.gz YUIZSYNWGQLKKP-HZPDHXFCSA-N 0 3 369.381 0.888 20 5 FCBDHN CC(C)N1CCn2c(nnc2C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001074109754 1219684924 /nfs/dbraw/zinc/68/49/24/1219684924.db2.gz LHZQVIOJOJEINE-ZIAGYGMSSA-N 0 3 362.434 0.873 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151251 1221482163 /nfs/dbraw/zinc/48/21/63/1221482163.db2.gz LCQSOINVANXEIO-JKSUJKDBSA-N 0 3 374.397 0.416 20 5 FCBDHN COC(=O)C(C(=O)OC)c1ncc(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163982018 1223235478 /nfs/dbraw/zinc/23/54/78/1223235478.db2.gz WUIMUAOPGXUIIK-UHFFFAOYSA-N 0 3 363.330 0.372 20 5 FCBDHN O=C(NCCC1(CNCc2noc3c2COCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494291 1223239416 /nfs/dbraw/zinc/23/94/16/1223239416.db2.gz DHEHFNJMQQPFDP-BXUZGUMPSA-N 0 3 364.402 0.789 20 5 FCBDHN COc1ncc(-n2ccc(=NCCN3CCOCC3)c(N)c2)cc1[N+](=O)[O-] ZINC001210136113 1223669593 /nfs/dbraw/zinc/66/95/93/1223669593.db2.gz HDXBUYVMFOFNTJ-UHFFFAOYSA-N 0 3 374.401 0.604 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012662 1246429618 /nfs/dbraw/zinc/42/96/18/1246429618.db2.gz ILXOKQGLPCUTBZ-ZIAGYGMSSA-N 0 3 364.402 0.681 20 5 FCBDHN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccn2cncc2c1 ZINC001062990365 1254288595 /nfs/dbraw/zinc/28/85/95/1254288595.db2.gz HPEBVBVGVYSWNM-ZIAGYGMSSA-N 0 3 357.370 0.768 20 5 FCBDHN O=C(NCCCCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001079161148 1255463328 /nfs/dbraw/zinc/46/33/28/1255463328.db2.gz VPZCJWMUBQEDSV-HZPDHXFCSA-N 0 3 366.462 0.882 20 5 FCBDHN CN1CCN(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336700618 1260205251 /nfs/dbraw/zinc/20/52/51/1260205251.db2.gz YILBASCMBUSWRD-UHFFFAOYSA-N 0 3 356.448 0.206 20 5 FCBDHN C[C@@H]1CN(CCCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001319370373 1263685996 /nfs/dbraw/zinc/68/59/96/1263685996.db2.gz QTDNLUADYPIQHW-ZIAGYGMSSA-N 0 3 366.418 0.762 20 5 FCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[C@@H]1N1CCN(C)CC1 ZINC001320275451 1263780347 /nfs/dbraw/zinc/78/03/47/1263780347.db2.gz OFYGFWOSQHTIPP-WFASDCNBSA-N 0 3 362.434 0.670 20 5 FCBDHN Cc1nn(CCC(=O)N2CC(CN3CCN(C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC001324292956 1264613108 /nfs/dbraw/zinc/61/31/08/1264613108.db2.gz YRJMQLMRXRCRBH-UHFFFAOYSA-N 0 3 364.450 0.504 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001325806247 1264998867 /nfs/dbraw/zinc/99/88/67/1264998867.db2.gz UPPSAOUUDISAKE-CYBMUJFWSA-N 0 3 364.402 0.820 20 5 FCBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001344031614 1270079044 /nfs/dbraw/zinc/07/90/44/1270079044.db2.gz LZKNBXFOWGIYBJ-KGLIPLIRSA-N 0 3 372.385 0.457 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001578981217 1276541829 /nfs/dbraw/zinc/54/18/29/1276541829.db2.gz UOVSOXVTEOKIFT-ARJAWSKDSA-N 0 3 374.405 0.811 20 5 FCBDHN C[NH+](C)CCC(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001578981217 1276541835 /nfs/dbraw/zinc/54/18/35/1276541835.db2.gz UOVSOXVTEOKIFT-ARJAWSKDSA-N 0 3 374.405 0.811 20 5 FCBDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164474 1283256775 /nfs/dbraw/zinc/25/67/75/1283256775.db2.gz SCTRKNLUGMHPIB-SNVBAGLBSA-N 0 3 360.378 0.331 20 5 FCBDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164474 1283256780 /nfs/dbraw/zinc/25/67/80/1283256780.db2.gz SCTRKNLUGMHPIB-SNVBAGLBSA-N 0 3 360.378 0.331 20 5 FCBDHN Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006102 1285053606 /nfs/dbraw/zinc/05/36/06/1285053606.db2.gz DLPDLLHJJHDJED-INIZCTEOSA-N 0 3 361.406 0.976 20 5 FCBDHN Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006102 1285053613 /nfs/dbraw/zinc/05/36/13/1285053613.db2.gz DLPDLLHJJHDJED-INIZCTEOSA-N 0 3 361.406 0.976 20 5 FCBDHN [NH3+]C1(CO)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001592739117 1285657299 /nfs/dbraw/zinc/65/72/99/1285657299.db2.gz CHNWTJHIETVDTM-UHFFFAOYSA-N 0 3 370.373 0.613 20 5 FCBDHN [NH3+]C1(CO)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001592739117 1285657306 /nfs/dbraw/zinc/65/73/06/1285657306.db2.gz CHNWTJHIETVDTM-UHFFFAOYSA-N 0 3 370.373 0.613 20 5 FCBDHN NCCN=c1ccc(Br)cn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001160976037 850217486 /nfs/dbraw/zinc/21/74/86/850217486.db2.gz RMNINCGWBOEWHH-UHFFFAOYSA-N 0 3 353.180 0.985 20 5 FCBDHN COC(=O)c1nc(Cl)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269136 850432251 /nfs/dbraw/zinc/43/22/51/850432251.db2.gz GUGNJBKIVUPHEU-YUMQZZPRSA-N 0 3 357.754 0.392 20 5 FCBDHN CC(C)(C)NC(=O)NCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195761126 852823150 /nfs/dbraw/zinc/82/31/50/852823150.db2.gz JYPDIISILHWASY-CHWSQXEVSA-N 0 3 355.439 0.284 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnc(N3CCOCC3)s2)c1 ZINC001336702859 874027446 /nfs/dbraw/zinc/02/74/46/874027446.db2.gz HTPLYZSRCDFVOK-GFCCVEGCSA-N 0 3 368.419 0.235 20 5 FCBDHN C[C@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC000296814667 214364334 /nfs/dbraw/zinc/36/43/34/214364334.db2.gz VGBSCVXETQBTSS-NSHDSACASA-N 0 3 372.385 0.693 20 5 FCBDHN NC(=O)c1cccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296959040 214371063 /nfs/dbraw/zinc/37/10/63/214371063.db2.gz YFMZNKXXBMALSJ-MRXNPFEDSA-N 0 3 359.386 0.916 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302033888 214764899 /nfs/dbraw/zinc/76/48/99/214764899.db2.gz OLPCZGMNODAPQX-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189769422 529887085 /nfs/dbraw/zinc/88/70/85/529887085.db2.gz RYZMBFDDNUEISV-UHFFFAOYSA-N 0 3 363.418 0.629 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264935852 210019570 /nfs/dbraw/zinc/01/95/70/210019570.db2.gz UKWVFUFNIYADJP-AWEZNQCLSA-N 0 3 365.434 0.146 20 5 FCBDHN CCNC(=O)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744760 213388593 /nfs/dbraw/zinc/38/85/93/213388593.db2.gz WDRHQRHOCCKHKP-OCCSQVGLSA-N 0 3 355.395 0.753 20 5 FCBDHN O=C(NCCCN1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285361233 213330342 /nfs/dbraw/zinc/33/03/42/213330342.db2.gz AHEZRMOGBXBCKD-UHFFFAOYSA-N 0 3 359.390 0.655 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c1C ZINC000237779231 209357737 /nfs/dbraw/zinc/35/77/37/209357737.db2.gz LXHODCCEIZBWJL-UHFFFAOYSA-N 0 3 356.448 0.785 20 5 FCBDHN COC1(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000277023831 212318540 /nfs/dbraw/zinc/31/85/40/212318540.db2.gz NDPZGZZCAREFEH-UHFFFAOYSA-N 0 3 373.431 0.658 20 5 FCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187394853 209213596 /nfs/dbraw/zinc/21/35/96/209213596.db2.gz HRRVNDNZKRUNFN-ZDUSSCGKSA-N 0 3 363.418 0.676 20 5 FCBDHN COCCOCCOCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276309027 212210427 /nfs/dbraw/zinc/21/04/27/212210427.db2.gz WUVJRMQTFBMPMV-INIZCTEOSA-N 0 3 372.418 0.946 20 5 FCBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275601164 212058198 /nfs/dbraw/zinc/05/81/98/212058198.db2.gz KUDKZWDDBFXNNV-VHSXEESVSA-N 0 3 364.358 0.896 20 5 FCBDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000275426662 212024845 /nfs/dbraw/zinc/02/48/45/212024845.db2.gz NQBSRPNZTGTTEU-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN NCC(=O)N1CCC[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677120 245312021 /nfs/dbraw/zinc/31/20/21/245312021.db2.gz WBVVRCPHANYAEK-HNNXBMFYSA-N 0 3 361.446 0.914 20 5 FCBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071750 211957195 /nfs/dbraw/zinc/95/71/95/211957195.db2.gz AJUFGVUNBXVIDD-KOLCDFICSA-N 0 3 365.312 0.153 20 5 FCBDHN C[S@@](=O)C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183098428 209141127 /nfs/dbraw/zinc/14/11/27/209141127.db2.gz NTKAQEZQBMRBRX-ZEUIUJOJSA-N 0 3 352.416 0.862 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000181913305 209123359 /nfs/dbraw/zinc/12/33/59/209123359.db2.gz RIDGFXQFRPWHSV-CVEARBPZSA-N 0 3 365.430 0.989 20 5 FCBDHN C[C@H](CO)N1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500303 217274854 /nfs/dbraw/zinc/27/48/54/217274854.db2.gz XPQPULHYMVMNDQ-GDBMZVCRSA-N 0 3 353.419 0.723 20 5 FCBDHN C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CN ZINC000419346889 246109614 /nfs/dbraw/zinc/10/96/14/246109614.db2.gz JDAIGZQMAHYOQJ-YGRLFVJLSA-N 0 3 374.401 0.673 20 5 FCBDHN CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@H](CN)C1 ZINC000419764649 246289517 /nfs/dbraw/zinc/28/95/17/246289517.db2.gz WDRSBKIKIUJWDI-UONOGXRCSA-N 0 3 364.402 0.484 20 5 FCBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423694290 247112966 /nfs/dbraw/zinc/11/29/66/247112966.db2.gz AOKIQCVCEYATRD-LBPRGKRZSA-N 0 3 364.402 0.770 20 5 FCBDHN [NH3+]C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423936497 247152882 /nfs/dbraw/zinc/15/28/82/247152882.db2.gz CNRAXDQKIIFNFL-GFCCVEGCSA-N 0 3 370.431 0.507 20 5 FCBDHN CN1C(=O)NCC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000425559227 247352986 /nfs/dbraw/zinc/35/29/86/247352986.db2.gz ZAQSJVBSGMWFHJ-CQSZACIVSA-N 0 3 364.402 0.824 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CN1C1CC1 ZINC000440930417 248223668 /nfs/dbraw/zinc/22/36/68/248223668.db2.gz UJLLQLDKYBTDIW-WDEREUQCSA-N 0 3 372.381 0.932 20 5 FCBDHN COCCCNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441214169 248243567 /nfs/dbraw/zinc/24/35/67/248243567.db2.gz XFGLAMRONYXZJD-OAHLLOKOSA-N 0 3 369.422 0.017 20 5 FCBDHN COC(=O)CN(C)C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440505555 248191830 /nfs/dbraw/zinc/19/18/30/248191830.db2.gz YYPKNUOVNFOLMY-LBPRGKRZSA-N 0 3 365.390 0.498 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440519858 248193839 /nfs/dbraw/zinc/19/38/39/248193839.db2.gz WYKCAZYZTCVMRJ-QGZVFWFLSA-N 0 3 359.386 0.545 20 5 FCBDHN COCCNCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271062771 211326967 /nfs/dbraw/zinc/32/69/67/211326967.db2.gz CKOWQFWAYUGROH-UHFFFAOYSA-N 0 3 356.404 0.138 20 5 FCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000472117952 250132576 /nfs/dbraw/zinc/13/25/76/250132576.db2.gz OJHHZSFJBZVODU-ZDUSSCGKSA-N 0 3 352.439 0.669 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269904087 211113634 /nfs/dbraw/zinc/11/36/34/211113634.db2.gz MSBPVEUMRXNGOE-BDJLRTHQSA-N 0 3 352.391 0.142 20 5 FCBDHN CCOC(=O)c1cc(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000269899714 211112399 /nfs/dbraw/zinc/11/23/99/211112399.db2.gz LXUYURILQCVRLL-INIZCTEOSA-N 0 3 353.375 0.814 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH+](CCO)CC2)c(F)c1 ZINC000161396221 229197374 /nfs/dbraw/zinc/19/73/74/229197374.db2.gz MYSIWNMAEHKESB-UHFFFAOYSA-N 0 3 361.395 0.717 20 5 FCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161411816 229199888 /nfs/dbraw/zinc/19/98/88/229199888.db2.gz LGMCUYZOFUYLQC-UHFFFAOYSA-N 0 3 357.432 0.886 20 5 FCBDHN C[C@H](CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C1CC1 ZINC000287761094 488902809 /nfs/dbraw/zinc/90/28/09/488902809.db2.gz HLVPGJWACAODJR-SNVBAGLBSA-N 0 3 374.401 0.686 20 5 FCBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067190698 488345849 /nfs/dbraw/zinc/34/58/49/488345849.db2.gz KAFCUVKRBCRZRT-UHFFFAOYSA-N 0 3 364.402 0.733 20 5 FCBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184200866 488395073 /nfs/dbraw/zinc/39/50/73/488395073.db2.gz CGQCXUTUNNOREW-UHFFFAOYSA-N 0 3 350.423 0.718 20 5 FCBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000083028408 488446611 /nfs/dbraw/zinc/44/66/11/488446611.db2.gz YRBMABAJEMWTJY-OKILXGFUSA-N 0 3 366.418 0.762 20 5 FCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000262408777 488568884 /nfs/dbraw/zinc/56/88/84/488568884.db2.gz CMSVUQPKGPRGQP-ZDUSSCGKSA-N 0 3 356.404 0.131 20 5 FCBDHN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1 ZINC000262423158 488569662 /nfs/dbraw/zinc/56/96/62/488569662.db2.gz GILSKUMBXBCSHH-CYBMUJFWSA-N 0 3 356.404 0.131 20 5 FCBDHN CC(C)(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262641155 488584194 /nfs/dbraw/zinc/58/41/94/488584194.db2.gz PBRGJHHTPOTEQB-GFCCVEGCSA-N 0 3 358.420 0.363 20 5 FCBDHN C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000272551614 488588161 /nfs/dbraw/zinc/58/81/61/488588161.db2.gz KRDZJKOWMIKPAE-VXGBXAGGSA-N 0 3 370.431 0.424 20 5 FCBDHN CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000272789505 488605702 /nfs/dbraw/zinc/60/57/02/488605702.db2.gz BVDCZCXQWAUAMI-VXGBXAGGSA-N 0 3 360.461 0.724 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272981973 488622453 /nfs/dbraw/zinc/62/24/53/488622453.db2.gz USTGWMOCTVKPLE-UHFFFAOYSA-N 0 3 368.390 0.579 20 5 FCBDHN COCCN(CCN(C)C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000273105761 488632321 /nfs/dbraw/zinc/63/23/21/488632321.db2.gz VLWOLCWRDNWDJQ-UHFFFAOYSA-N 0 3 366.418 0.670 20 5 FCBDHN Cc1n[nH]c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263961440 488639099 /nfs/dbraw/zinc/63/90/99/488639099.db2.gz PZEMRKMQUXFLHE-NSHDSACASA-N 0 3 352.395 0.299 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000264022374 488643351 /nfs/dbraw/zinc/64/33/51/488643351.db2.gz HCFAHMUIEIHYGT-UHFFFAOYSA-N 0 3 366.422 0.112 20 5 FCBDHN CCCNC(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000132317898 488652511 /nfs/dbraw/zinc/65/25/11/488652511.db2.gz BFFZPTQUBLRCLF-AWEZNQCLSA-N 0 3 353.423 0.971 20 5 FCBDHN CCc1n[nH]c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264683570 488698271 /nfs/dbraw/zinc/69/82/71/488698271.db2.gz QJHRLCUOGDCQKH-GFCCVEGCSA-N 0 3 366.422 0.553 20 5 FCBDHN Cc1n[nH]c(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000264804858 488713867 /nfs/dbraw/zinc/71/38/67/488713867.db2.gz WHKVXYGAESDATQ-UHFFFAOYSA-N 0 3 374.401 0.848 20 5 FCBDHN CCN(CCO)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274579473 488721188 /nfs/dbraw/zinc/72/11/88/488721188.db2.gz SGBIYPWFFDYDCN-UHFFFAOYSA-N 0 3 370.431 0.216 20 5 FCBDHN CN(CCN(C)C1CC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000274581932 488721268 /nfs/dbraw/zinc/72/12/68/488721268.db2.gz ONWSXAPSRQAAIR-UHFFFAOYSA-N 0 3 360.370 0.743 20 5 FCBDHN CC(C)[C@@H](CO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000156427988 488765272 /nfs/dbraw/zinc/76/52/72/488765272.db2.gz POFUYTAYKYCFCY-MRXNPFEDSA-N 0 3 350.419 0.850 20 5 FCBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000163383930 488807400 /nfs/dbraw/zinc/80/74/00/488807400.db2.gz PFAQUXMCRSYBAP-UHFFFAOYSA-N 0 3 371.459 0.761 20 5 FCBDHN COc1ccc([C@H](CO)N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000173742796 488845012 /nfs/dbraw/zinc/84/50/12/488845012.db2.gz ZWKIJRJKXYGNAK-ZBFHGGJFSA-N 0 3 350.375 0.826 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000291492001 489174336 /nfs/dbraw/zinc/17/43/36/489174336.db2.gz BHZCGDZYJYQGTJ-RISCZKNCSA-N 0 3 372.381 0.743 20 5 FCBDHN CN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000282600913 489178031 /nfs/dbraw/zinc/17/80/31/489178031.db2.gz QRDFVUKMWQTIKR-UHFFFAOYSA-N 0 3 356.448 0.899 20 5 FCBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000369781609 489275040 /nfs/dbraw/zinc/27/50/40/489275040.db2.gz HPAMGLLYZXYDOQ-SOUVJXGZSA-N 0 3 354.407 0.404 20 5 FCBDHN O=C(Nc1ccccn1)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831818 489280055 /nfs/dbraw/zinc/28/00/55/489280055.db2.gz WISZDYJCRXCZGR-ZFWWWQNUSA-N 0 3 374.401 0.898 20 5 FCBDHN O=C(Nc1ccccn1)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831815 489280075 /nfs/dbraw/zinc/28/00/75/489280075.db2.gz WISZDYJCRXCZGR-DZGCQCFKSA-N 0 3 374.401 0.898 20 5 FCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000298187904 489301820 /nfs/dbraw/zinc/30/18/20/489301820.db2.gz BKJMQZSOLBVMAE-UHFFFAOYSA-N 0 3 351.392 0.561 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362932100 489406257 /nfs/dbraw/zinc/40/62/57/489406257.db2.gz NNVRWGAHTHYCTI-KBPBESRZSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C1CCCCN1[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363576646 489480138 /nfs/dbraw/zinc/48/01/38/489480138.db2.gz BLZIGFPFXMCVCO-DZGCQCFKSA-N 0 3 351.407 0.629 20 5 FCBDHN COc1cc(CCNC(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000416899522 489633065 /nfs/dbraw/zinc/63/30/65/489633065.db2.gz FZYMYCCJNLEVBQ-GFCCVEGCSA-N 0 3 368.390 0.442 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428553527 489653873 /nfs/dbraw/zinc/65/38/73/489653873.db2.gz XGXZLMKCQSDAMH-INIZCTEOSA-N 0 3 372.381 0.962 20 5 FCBDHN Cc1ccc(NCCCNC(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000417721777 489663028 /nfs/dbraw/zinc/66/30/28/489663028.db2.gz ULEHSYVROJQFJX-ZDUSSCGKSA-N 0 3 351.407 0.993 20 5 FCBDHN CC(C)(C(=O)Nc1ccc(N2CCNCC2)cn1)n1cc([N+](=O)[O-])cn1 ZINC000429045005 489670964 /nfs/dbraw/zinc/67/09/64/489670964.db2.gz KUHGNDQUUPIULV-UHFFFAOYSA-N 0 3 359.390 0.970 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)N1CCNCC1 ZINC000430601222 489750567 /nfs/dbraw/zinc/75/05/67/489750567.db2.gz CYMMHPGOZNSCCD-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN COC(=O)COc1ccc(CN[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000474375981 489758434 /nfs/dbraw/zinc/75/84/34/489758434.db2.gz VMSMVJNIBUBRLC-ZDUSSCGKSA-N 0 3 351.359 0.857 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000490567268 489773875 /nfs/dbraw/zinc/77/38/75/489773875.db2.gz OBILJGXDHJTIJN-UHFFFAOYSA-N 0 3 350.379 0.007 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F ZINC000564078578 491287536 /nfs/dbraw/zinc/28/75/36/491287536.db2.gz TVLKNUXPUVCSTE-WDEREUQCSA-N 0 3 365.312 0.295 20 5 FCBDHN COCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477186620 489948717 /nfs/dbraw/zinc/94/87/17/489948717.db2.gz LAMWLEFJWOJHTD-UHFFFAOYSA-N 0 3 360.436 0.835 20 5 FCBDHN COc1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000420443944 489977369 /nfs/dbraw/zinc/97/73/69/489977369.db2.gz LNXLFKWGPHMUSL-NSHDSACASA-N 0 3 351.331 0.879 20 5 FCBDHN NS(=O)(=O)c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000378295426 490041701 /nfs/dbraw/zinc/04/17/01/490041701.db2.gz ROGQKNDWFOOZPP-GFCCVEGCSA-N 0 3 370.431 0.907 20 5 FCBDHN COC(=O)C[C@]1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000464606367 490062181 /nfs/dbraw/zinc/06/21/81/490062181.db2.gz FZDOPHNVDIWPTP-CZUORRHYSA-N 0 3 354.359 0.646 20 5 FCBDHN CN(C)C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000465123048 490083484 /nfs/dbraw/zinc/08/34/84/490083484.db2.gz RJBHTLKIYFKIOA-CYBMUJFWSA-N 0 3 365.386 0.698 20 5 FCBDHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000545156710 490087137 /nfs/dbraw/zinc/08/71/37/490087137.db2.gz BOUXLFWVSZSLRY-MRXNPFEDSA-N 0 3 360.374 0.280 20 5 FCBDHN CC(C)C[C@@](C)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000519821695 490091064 /nfs/dbraw/zinc/09/10/64/490091064.db2.gz DLVPQCFWGQCSLY-HNNXBMFYSA-N 0 3 372.447 0.753 20 5 FCBDHN Cc1n[nH]c(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000520240634 490121908 /nfs/dbraw/zinc/12/19/08/490121908.db2.gz HEQRNBWKRHBJJP-UHFFFAOYSA-N 0 3 352.395 0.299 20 5 FCBDHN CC(C)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421987943 490123425 /nfs/dbraw/zinc/12/34/25/490123425.db2.gz LYAFRTRPFMFZIY-UHFFFAOYSA-N 0 3 372.447 0.672 20 5 FCBDHN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000497459806 490163988 /nfs/dbraw/zinc/16/39/88/490163988.db2.gz VLBFESCJNIMVRX-HOCLYGCPSA-N 0 3 364.450 0.666 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000497462886 490164361 /nfs/dbraw/zinc/16/43/61/490164361.db2.gz PZKAEACAAWGGKL-YPMHNXCESA-N 0 3 350.423 0.724 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000497462886 490164368 /nfs/dbraw/zinc/16/43/68/490164368.db2.gz PZKAEACAAWGGKL-YPMHNXCESA-N 0 3 350.423 0.724 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N(C)C ZINC000564439253 491306830 /nfs/dbraw/zinc/30/68/30/491306830.db2.gz QZEJULAGSICVPL-NSHDSACASA-N 0 3 358.420 0.793 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])n1 ZINC000533633558 490269354 /nfs/dbraw/zinc/26/93/54/490269354.db2.gz YSSQHFQDMZVTBT-NEPJUHHUSA-N 0 3 357.436 0.916 20 5 FCBDHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000521898198 490309061 /nfs/dbraw/zinc/30/90/61/490309061.db2.gz ULNCWOZIZUPBOB-LBPRGKRZSA-N 0 3 370.431 0.344 20 5 FCBDHN CCCc1n[n-]c(C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000521927502 490312638 /nfs/dbraw/zinc/31/26/38/490312638.db2.gz LNGVGPUZABUQMX-UHFFFAOYSA-N 0 3 352.395 0.211 20 5 FCBDHN C[C@H]1CCN(C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498722353 490332029 /nfs/dbraw/zinc/33/20/29/490332029.db2.gz ODNUZLXQYYGNEO-ZDUSSCGKSA-N 0 3 363.418 0.947 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000571754892 491326955 /nfs/dbraw/zinc/32/69/55/491326955.db2.gz QGLUCUDSFBZDCU-ZENOOKHLSA-N 0 3 367.402 0.560 20 5 FCBDHN O=C(CCN(CCO)CCN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500073967 490482011 /nfs/dbraw/zinc/48/20/11/490482011.db2.gz LJHHPEUNNHHNFC-UHFFFAOYSA-N 0 3 366.418 0.550 20 5 FCBDHN CS(=O)(=O)Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564850247 491331315 /nfs/dbraw/zinc/33/13/15/491331315.db2.gz RFYCCCRAKNFOCN-HNNXBMFYSA-N 0 3 368.415 0.487 20 5 FCBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000510807462 490541555 /nfs/dbraw/zinc/54/15/55/490541555.db2.gz CEZQVMVOJXLIJH-STQMWFEESA-N 0 3 358.420 0.207 20 5 FCBDHN CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000524652911 490548478 /nfs/dbraw/zinc/54/84/78/490548478.db2.gz IFIQNGBZPSXDIL-HNNXBMFYSA-N 0 3 363.418 0.947 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548943773 490555247 /nfs/dbraw/zinc/55/52/47/490555247.db2.gz XBVJYKHQLJRKHW-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN C[C@]1(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)NC(=O)NC1=O ZINC000536378287 490573727 /nfs/dbraw/zinc/57/37/27/490573727.db2.gz LKLQWOIDRLUCDE-MRXNPFEDSA-N 0 3 363.374 0.067 20 5 FCBDHN C[C@@H]1CN(C)C[C@@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159083 490698689 /nfs/dbraw/zinc/69/86/89/490698689.db2.gz WKAMQUVQKRGTKG-RISCZKNCSA-N 0 3 355.416 0.682 20 5 FCBDHN COCCN(C)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513202661 490713732 /nfs/dbraw/zinc/71/37/32/490713732.db2.gz SNYCUFANYPFFKV-UHFFFAOYSA-N 0 3 373.431 0.696 20 5 FCBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000502855164 490725486 /nfs/dbraw/zinc/72/54/86/490725486.db2.gz JVWLKIFAKRHTDX-UWVGGRQHSA-N 0 3 364.358 0.766 20 5 FCBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000488391933 490758409 /nfs/dbraw/zinc/75/84/09/490758409.db2.gz WWVCYQJVFSGOSO-CYBMUJFWSA-N 0 3 372.447 0.747 20 5 FCBDHN CN1CC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000516175304 490854496 /nfs/dbraw/zinc/85/44/96/490854496.db2.gz KEKZQRMAMZSRHE-GFCCVEGCSA-N 0 3 355.416 0.827 20 5 FCBDHN Cc1c(C(=O)NCCOCCN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000541533684 490865332 /nfs/dbraw/zinc/86/53/32/490865332.db2.gz GHZMUCSUOGJPBT-UHFFFAOYSA-N 0 3 362.390 0.792 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530567208 490913193 /nfs/dbraw/zinc/91/31/93/490913193.db2.gz ISBIWYIQXFJNKQ-LLVKDONJSA-N 0 3 350.375 1.000 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000517588325 490913542 /nfs/dbraw/zinc/91/35/42/490913542.db2.gz JMRJPZZLXKNCIG-FPMFFAJLSA-N 0 3 361.402 0.918 20 5 FCBDHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000530576754 490913926 /nfs/dbraw/zinc/91/39/26/490913926.db2.gz LZLQLNBYWMPJLX-NSHDSACASA-N 0 3 370.431 0.622 20 5 FCBDHN CCN(CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000517861338 490923086 /nfs/dbraw/zinc/92/30/86/490923086.db2.gz GTMXRQFUPVSEIL-UHFFFAOYSA-N 0 3 363.418 0.995 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000518585719 490945920 /nfs/dbraw/zinc/94/59/20/490945920.db2.gz KRTRVMVZPJMRHM-CQSZACIVSA-N 0 3 361.402 0.437 20 5 FCBDHN O=C1[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000595627682 491945885 /nfs/dbraw/zinc/94/58/85/491945885.db2.gz RNOGDPNEDVUDNI-GASCZTMLSA-N 0 3 369.381 0.908 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCOCC1 ZINC000569525196 491166566 /nfs/dbraw/zinc/16/65/66/491166566.db2.gz WKBBVJFPBJSRDQ-CQSZACIVSA-N 0 3 353.375 0.919 20 5 FCBDHN CN1CCN(CC2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 ZINC000565606114 491388473 /nfs/dbraw/zinc/38/84/73/491388473.db2.gz GBOCSESPPFVWFZ-UHFFFAOYSA-N 0 3 362.434 0.672 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CO)CCOCC2)cc1 ZINC000573091169 491412080 /nfs/dbraw/zinc/41/20/80/491412080.db2.gz XGNJECGDUGHMFL-UHFFFAOYSA-N 0 3 358.416 0.747 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000573133405 491415507 /nfs/dbraw/zinc/41/55/07/491415507.db2.gz UDRNTFDDRHAOTR-RISCZKNCSA-N 0 3 353.375 0.607 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2Cn2cncn2)c1 ZINC000566106638 491417566 /nfs/dbraw/zinc/41/75/66/491417566.db2.gz VZKFIIHJVCCIKW-MRXNPFEDSA-N 0 3 357.374 0.582 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000558745730 491444954 /nfs/dbraw/zinc/44/49/54/491444954.db2.gz HIIURYAZQUFXTG-UHFFFAOYSA-N 0 3 360.374 0.539 20 5 FCBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000566495668 491448928 /nfs/dbraw/zinc/44/89/28/491448928.db2.gz IAQPCGBSGYKFQF-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCCN(C)C1 ZINC000567409483 491504933 /nfs/dbraw/zinc/50/49/33/491504933.db2.gz DQQCEUJGPBHPNK-GFCCVEGCSA-N 0 3 360.370 0.743 20 5 FCBDHN C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567912379 491540903 /nfs/dbraw/zinc/54/09/03/491540903.db2.gz NMQIIXZCLPVMJA-HFAKWTLXSA-N 0 3 370.431 0.376 20 5 FCBDHN CCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540382 491602530 /nfs/dbraw/zinc/60/25/30/491602530.db2.gz WTLIOPAGOGUZDL-BBRMVZONSA-N 0 3 350.375 0.674 20 5 FCBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000568783109 491609664 /nfs/dbraw/zinc/60/96/64/491609664.db2.gz MSLWVHRLOWGLMK-KOLCDFICSA-N 0 3 374.806 0.181 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000569011124 491627198 /nfs/dbraw/zinc/62/71/98/491627198.db2.gz XXEOAAPWOSPOKY-DGCLKSJQSA-N 0 3 370.431 0.935 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000576755517 491642286 /nfs/dbraw/zinc/64/22/86/491642286.db2.gz OICNMALHPUGHER-HUUCEWRRSA-N 0 3 353.419 0.771 20 5 FCBDHN [NH3+][C@H]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000578014276 491668064 /nfs/dbraw/zinc/66/80/64/491668064.db2.gz HOFJSRIDWIBPMV-RYUDHWBXSA-N 0 3 370.431 0.507 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578481330 491678075 /nfs/dbraw/zinc/67/80/75/491678075.db2.gz BRZOZIHIXZQGDF-HNNXBMFYSA-N 0 3 352.435 0.656 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000578979994 491688198 /nfs/dbraw/zinc/68/81/98/491688198.db2.gz NZYQWCZXLDSAMK-JKSUJKDBSA-N 0 3 359.386 0.543 20 5 FCBDHN C[C@H](CN1CCN(C)CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579943145 491710450 /nfs/dbraw/zinc/71/04/50/491710450.db2.gz CZJGBNYJSBEQST-CQSZACIVSA-N 0 3 370.475 0.594 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000588866247 491750783 /nfs/dbraw/zinc/75/07/83/491750783.db2.gz JCDCJVZECCMQPJ-LBPRGKRZSA-N 0 3 352.391 0.084 20 5 FCBDHN CCN(CC)S(=O)(=O)c1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101800 491755282 /nfs/dbraw/zinc/75/52/82/491755282.db2.gz LIUAWZJZTQRFNU-LBPRGKRZSA-N 0 3 374.463 0.960 20 5 FCBDHN [NH3+]CC1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000581311057 491768168 /nfs/dbraw/zinc/76/81/68/491768168.db2.gz ZBIJXYVRFYJKNL-UHFFFAOYSA-N 0 3 356.404 0.070 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000590399232 491775393 /nfs/dbraw/zinc/77/53/93/491775393.db2.gz XODPZTCFCJCOLM-NEPJUHHUSA-N 0 3 366.422 0.625 20 5 FCBDHN O=C([C@H]1CNCCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675629 491818399 /nfs/dbraw/zinc/81/83/99/491818399.db2.gz PIHUWFONSKCMHX-GFCCVEGCSA-N 0 3 355.345 0.883 20 5 FCBDHN C[S@@](=O)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767534 491823478 /nfs/dbraw/zinc/82/34/78/491823478.db2.gz PWGAWVYPOVWNLG-IZHWHUGBSA-N 0 3 352.416 0.821 20 5 FCBDHN C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583441593 491845106 /nfs/dbraw/zinc/84/51/06/491845106.db2.gz YFTAMSJSEIQGRA-RYUDHWBXSA-N 0 3 370.431 0.459 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594877554 491870585 /nfs/dbraw/zinc/87/05/85/491870585.db2.gz VOIKQYPTLBDMFY-HUUCEWRRSA-N 0 3 361.402 0.557 20 5 FCBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597604477 492050890 /nfs/dbraw/zinc/05/08/90/492050890.db2.gz IOYFISLUBZIPKM-GFCCVEGCSA-N 0 3 370.431 0.799 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000597691914 492060144 /nfs/dbraw/zinc/06/01/44/492060144.db2.gz ILUFLCDOAAMIOS-YPMHNXCESA-N 0 3 366.422 0.625 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CCCO)ncnc1N1CCOCC1 ZINC000598627653 492110289 /nfs/dbraw/zinc/11/02/89/492110289.db2.gz IQQFIQMVORCJOR-ZDUSSCGKSA-N 0 3 366.422 0.480 20 5 FCBDHN [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598669925 492112897 /nfs/dbraw/zinc/11/28/97/492112897.db2.gz NVUCXCGGPYLUNX-IAQYHMDHSA-N 0 3 368.415 0.213 20 5 FCBDHN CN1CCC(O)(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598902041 492121517 /nfs/dbraw/zinc/12/15/17/492121517.db2.gz ZMXJFAKSKUNBLN-UHFFFAOYSA-N 0 3 365.390 0.289 20 5 FCBDHN Nc1nc(N)nc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000599019750 492130773 /nfs/dbraw/zinc/13/07/73/492130773.db2.gz FJHRASBPWVAHHI-UHFFFAOYSA-N 0 3 358.284 0.570 20 5 FCBDHN COCCN(C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000608894628 492195236 /nfs/dbraw/zinc/19/52/36/492195236.db2.gz VKZZXWDCYAURFU-UHFFFAOYSA-N 0 3 366.422 0.400 20 5 FCBDHN CCN1CCN(CCNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045826 492196829 /nfs/dbraw/zinc/19/68/29/492196829.db2.gz QWVDFJVTUCLWOZ-UHFFFAOYSA-N 0 3 350.419 0.900 20 5 FCBDHN CCN(CCN)C(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599945421 492220152 /nfs/dbraw/zinc/22/01/52/492220152.db2.gz HVEUJEXUULQLKL-UHFFFAOYSA-N 0 3 368.390 0.078 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000610892235 492266667 /nfs/dbraw/zinc/26/66/67/492266667.db2.gz QSDXQIIBKQZICE-KRWDZBQOSA-N 0 3 359.386 0.545 20 5 FCBDHN Cc1nc(NCC2(N3CCOCC3)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000413482397 534487526 /nfs/dbraw/zinc/48/75/26/534487526.db2.gz PBTWSOJOSGWZMX-UHFFFAOYSA-N 0 3 350.423 0.902 20 5 FCBDHN CC(C)(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000591735627 546939249 /nfs/dbraw/zinc/93/92/49/546939249.db2.gz XQADNLIHDADZGU-LLVKDONJSA-N 0 3 361.420 0.252 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)Cn2cccn2)cc1 ZINC000591760396 546940117 /nfs/dbraw/zinc/94/01/17/546940117.db2.gz AENPVNUPAFPKPO-ZDUSSCGKSA-N 0 3 354.388 0.216 20 5 FCBDHN C[C@H](CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000594815878 547013659 /nfs/dbraw/zinc/01/36/59/547013659.db2.gz CFWNBXVQLRYSKK-SNVBAGLBSA-N 0 3 359.404 0.985 20 5 FCBDHN CN1CC[NH+](CCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821627027 606698079 /nfs/dbraw/zinc/69/80/79/606698079.db2.gz JXLQYXYLBFGHNE-UHFFFAOYSA-N 0 3 361.410 0.609 20 5 FCBDHN CC(=O)Nc1nc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996443128 666920764 /nfs/dbraw/zinc/92/07/64/666920764.db2.gz ZIJXNUUVVLYIKA-CHWSQXEVSA-N 0 3 367.431 0.847 20 5 FCBDHN CCOC(=O)N(C)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743845810 668052927 /nfs/dbraw/zinc/05/29/27/668052927.db2.gz QBVWFSAGNWZQKY-CQSZACIVSA-N 0 3 355.395 0.705 20 5 FCBDHN CN(C)C(=O)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549938 669107355 /nfs/dbraw/zinc/10/73/55/669107355.db2.gz RHUMGWMKBRWDOS-TZMCWYRMSA-N 0 3 355.395 0.705 20 5 FCBDHN CC(COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813109451 669827539 /nfs/dbraw/zinc/82/75/39/669827539.db2.gz SXIKESMQXLLYPQ-VIFPVBQESA-N 0 3 361.332 0.424 20 5 FCBDHN C[N@@H+]1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034469 669896472 /nfs/dbraw/zinc/89/64/72/669896472.db2.gz PLYVLBKNWJORBX-LBPRGKRZSA-N 0 3 367.786 0.732 20 5 FCBDHN C[N@H+]1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034469 669896475 /nfs/dbraw/zinc/89/64/75/669896475.db2.gz PLYVLBKNWJORBX-LBPRGKRZSA-N 0 3 367.786 0.732 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855697256 671660949 /nfs/dbraw/zinc/66/09/49/671660949.db2.gz MGQWEZHHYOVDBK-OAHLLOKOSA-N 0 3 352.391 0.107 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccsc1 ZINC001055514236 676021916 /nfs/dbraw/zinc/02/19/16/676021916.db2.gz CAVUKNGGKWSQOB-ZIAGYGMSSA-N 0 3 366.443 0.724 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccco1 ZINC001055575066 676024589 /nfs/dbraw/zinc/02/45/89/676024589.db2.gz KKQNCNKZPRXMDO-CHWSQXEVSA-N 0 3 350.375 0.255 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccns1 ZINC001055575312 676025018 /nfs/dbraw/zinc/02/50/18/676025018.db2.gz RQWYYYSRNFYWJU-VXGBXAGGSA-N 0 3 367.431 0.119 20 5 FCBDHN O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973254309 1182140959 /nfs/dbraw/zinc/14/09/59/1182140959.db2.gz JUTDQNCTUHTBKN-NDLNZWKESA-N 0 3 361.402 0.260 20 5 FCBDHN COC(=O)c1cn([C@H]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878163 1196525509 /nfs/dbraw/zinc/52/55/09/1196525509.db2.gz BFCJUTCIMPKRMD-DZGCQCFKSA-N 0 3 361.358 0.953 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000594358994 1196715018 /nfs/dbraw/zinc/71/50/18/1196715018.db2.gz DIUIXQQZDRLWJE-HOTGVXAUSA-N 0 3 373.413 0.895 20 5 FCBDHN Cn1c(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC001086083145 1198141383 /nfs/dbraw/zinc/14/13/83/1198141383.db2.gz OWARNARZZLVYCB-YXCITZCRSA-N 0 3 362.434 0.732 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000819837486 1203172257 /nfs/dbraw/zinc/17/22/57/1203172257.db2.gz MXAQWOGVLRDBPO-CYBMUJFWSA-N 0 3 360.374 0.362 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861709981 1209875556 /nfs/dbraw/zinc/87/55/56/1209875556.db2.gz MOQPHWCVKSWQTO-CABCVRRESA-N 0 3 359.386 0.612 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000547293029 1211452595 /nfs/dbraw/zinc/45/25/95/1211452595.db2.gz JXYQHHOWGOPDCZ-QGZVFWFLSA-N 0 3 364.402 0.228 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000547293028 1211452823 /nfs/dbraw/zinc/45/28/23/1211452823.db2.gz JXYQHHOWGOPDCZ-KRWDZBQOSA-N 0 3 364.402 0.228 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948034212 1212120241 /nfs/dbraw/zinc/12/02/41/1212120241.db2.gz BDNALCQHVLYJNE-ZIAGYGMSSA-N 0 3 364.402 0.727 20 5 FCBDHN O=C(c1ccn2cncc2c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001039 1212220525 /nfs/dbraw/zinc/22/05/25/1212220525.db2.gz BWNHNHOLZPZICW-OCVGTWLNSA-N 0 3 369.381 0.815 20 5 FCBDHN COc1cccnc1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953926874 1213023885 /nfs/dbraw/zinc/02/38/85/1213023885.db2.gz FQKYDBCLCWWODH-CHWSQXEVSA-N 0 3 362.386 0.818 20 5 FCBDHN CCN(C(=O)c1occc1CN(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968294689 1215306217 /nfs/dbraw/zinc/30/62/17/1215306217.db2.gz MLFAJRWBGXEBPP-ZIAGYGMSSA-N 0 3 364.402 0.679 20 5 FCBDHN CC(C)(C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055621848 1215891761 /nfs/dbraw/zinc/89/17/61/1215891761.db2.gz MGOWJWNPDAIKPD-HUUCEWRRSA-N 0 3 366.462 0.785 20 5 FCBDHN Cc1occc1C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055515207 1219064061 /nfs/dbraw/zinc/06/40/61/1219064061.db2.gz VOKKSWRNDFFNNM-HUUCEWRRSA-N 0 3 364.402 0.564 20 5 FCBDHN CC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001055603275 1219096418 /nfs/dbraw/zinc/09/64/18/1219096418.db2.gz ARUIEIXAEJWLAN-HUUCEWRRSA-N 0 3 366.462 0.929 20 5 FCBDHN O=C(Cc1noc(C[C@@H]2CNCCO2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843224753 1222861870 /nfs/dbraw/zinc/86/18/70/1222861870.db2.gz SRRFFJAGPKVEJO-CYBMUJFWSA-N 0 3 361.358 0.368 20 5 FCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001155156023 1223027268 /nfs/dbraw/zinc/02/72/68/1223027268.db2.gz KXKQTLZQXNOBCI-WCQYABFASA-N 0 3 357.374 0.879 20 5 FCBDHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157012480 1223065945 /nfs/dbraw/zinc/06/59/45/1223065945.db2.gz GGRUYYQZMCPFKR-BDJLRTHQSA-N 0 3 360.370 0.677 20 5 FCBDHN O=C(NCCCNCc1nc(Cc2ccccc2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775652 1223082489 /nfs/dbraw/zinc/08/24/89/1223082489.db2.gz ULZZZPWIKRYMIW-ZIAGYGMSSA-N 0 3 359.386 0.922 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705616 1247961289 /nfs/dbraw/zinc/96/12/89/1247961289.db2.gz KMMZIEAGKJHKOX-ZIAGYGMSSA-N 0 3 364.402 0.727 20 5 FCBDHN CC1(C(=O)NCCCCCN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001079161654 1255462591 /nfs/dbraw/zinc/46/25/91/1255462591.db2.gz BFQHKZIXJVAHMS-HUUCEWRRSA-N 0 3 366.462 0.882 20 5 FCBDHN CC1(C)OC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)N1C(=O)CN ZINC001212284976 1259454194 /nfs/dbraw/zinc/45/41/94/1259454194.db2.gz HFNGXVPHHLKDNK-VIFPVBQESA-N 0 3 366.309 0.774 20 5 FCBDHN CN1CCN(Cc2cccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001251573695 1259752494 /nfs/dbraw/zinc/75/24/94/1259752494.db2.gz IWKITARKJKGPBD-UHFFFAOYSA-N 0 3 372.429 0.855 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596773 1259890044 /nfs/dbraw/zinc/89/00/44/1259890044.db2.gz RFNZRAXDQFAOQO-SJLPKXTDSA-N 0 3 358.398 0.485 20 5 FCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001258148710 1260037889 /nfs/dbraw/zinc/03/78/89/1260037889.db2.gz CRRNSYGFZYNMDQ-OAHLLOKOSA-N 0 3 360.414 0.854 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001593488141 1286176526 /nfs/dbraw/zinc/17/65/26/1286176526.db2.gz ZIFWQEFKAOMFFY-DZGCQCFKSA-N 0 3 370.373 0.609 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001593488141 1286176530 /nfs/dbraw/zinc/17/65/30/1286176530.db2.gz ZIFWQEFKAOMFFY-DZGCQCFKSA-N 0 3 370.373 0.609 20 5 FCBDHN CN(CCc1nnn(C(C)(C)C)n1)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699003490 1289541993 /nfs/dbraw/zinc/54/19/93/1289541993.db2.gz XZPKSWRLKUROTD-VXGBXAGGSA-N 0 3 353.427 0.026 20 5 FCBDHN O=C(NCCNCc1ccc(OCC(F)(F)F)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936621 848713356 /nfs/dbraw/zinc/71/33/56/848713356.db2.gz MZCRSOKDVMNHJT-NXEZZACHSA-N 0 3 363.296 0.289 20 5 FCBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001147505902 849583282 /nfs/dbraw/zinc/58/32/82/849583282.db2.gz AFHLIODMJBCFLO-ZIAGYGMSSA-N 0 3 350.419 0.102 20 5 FCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N([C@H]1CCCNC1)S(=O)(=O)C(C)C ZINC001157994510 850010084 /nfs/dbraw/zinc/01/00/84/850010084.db2.gz GBRMPNBSZGNDLI-LBPRGKRZSA-N 0 3 358.420 0.833 20 5 FCBDHN CC(C)CNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107136 850153640 /nfs/dbraw/zinc/15/36/40/850153640.db2.gz JRBGAHQDZULVSS-HUUCEWRRSA-N 0 3 352.435 0.562 20 5 FCBDHN CCN(CC)CCNC(=N)Nc1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001163129257 850356609 /nfs/dbraw/zinc/35/66/09/850356609.db2.gz JOMWHDZEKHNAHM-UHFFFAOYSA-N 0 3 352.399 0.930 20 5 FCBDHN CCCn1ncnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490251 850413436 /nfs/dbraw/zinc/41/34/36/850413436.db2.gz FRRTZVPUTXYRLQ-CHWSQXEVSA-N 0 3 350.423 0.729 20 5 FCBDHN CCOc1nnc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001164497748 850415439 /nfs/dbraw/zinc/41/54/39/850415439.db2.gz ZGPJKPNNCLLBHO-GHMZBOCLSA-N 0 3 369.447 0.978 20 5 FCBDHN COc1cc2ncnc(N(C3CNC3)S(C)(=O)=O)c2cc1[N+](=O)[O-] ZINC001166968820 850516146 /nfs/dbraw/zinc/51/61/46/850516146.db2.gz MIQXQOWSDMPYBN-UHFFFAOYSA-N 0 3 353.360 0.284 20 5 FCBDHN CS(=O)(=O)N(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C1CNC1 ZINC001166971673 850517539 /nfs/dbraw/zinc/51/75/39/850517539.db2.gz ISOPXKHDVOUOOY-UHFFFAOYSA-N 0 3 367.362 0.929 20 5 FCBDHN CCOC(=O)COc1ncc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569367 850659134 /nfs/dbraw/zinc/65/91/34/850659134.db2.gz RJFSTHBJDSVDGJ-GXFFZTMASA-N 0 3 354.363 0.721 20 5 FCBDHN CCOC(=O)COc1ncc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569365 850659217 /nfs/dbraw/zinc/65/92/17/850659217.db2.gz RJFSTHBJDSVDGJ-GWCFXTLKSA-N 0 3 354.363 0.721 20 5 FCBDHN CC[C@@](N)(CO)NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694637 850734499 /nfs/dbraw/zinc/73/44/99/850734499.db2.gz YTROZRXLSSIHIE-HNNXBMFYSA-N 0 3 372.447 0.395 20 5 FCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=O)ncc1[C@H]1CCCC(=O)C1 ZINC001231381086 857360248 /nfs/dbraw/zinc/36/02/48/857360248.db2.gz RHFIQBHXSFFIKF-WCQYABFASA-O 0 3 352.411 0.772 20 5 FCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937966 210253025 /nfs/dbraw/zinc/25/30/25/210253025.db2.gz GNMNBGZCEJPSLH-DGCLKSJQSA-N 0 3 374.397 0.989 20 5 FCBDHN CCC[NH2+][C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295243546 214285671 /nfs/dbraw/zinc/28/56/71/214285671.db2.gz SWDKDTSQYCDXNK-NSHDSACASA-N 0 3 358.420 0.377 20 5 FCBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000265474357 210143546 /nfs/dbraw/zinc/14/35/46/210143546.db2.gz QDDHMLASMOJTPJ-UHFFFAOYSA-N 0 3 374.401 0.752 20 5 FCBDHN CN1CCN(CC2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000331960323 215072029 /nfs/dbraw/zinc/07/20/29/215072029.db2.gz SLYQUFJBOKGPMA-UHFFFAOYSA-N 0 3 364.450 0.667 20 5 FCBDHN CCNC(=O)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744751 213387313 /nfs/dbraw/zinc/38/73/13/213387313.db2.gz WDRHQRHOCCKHKP-GXTWGEPZSA-N 0 3 355.395 0.753 20 5 FCBDHN COc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])cc1[O-] ZINC000285394370 213336291 /nfs/dbraw/zinc/33/62/91/213336291.db2.gz DOFBLXMFZSLFFF-UHFFFAOYSA-N 0 3 364.358 0.919 20 5 FCBDHN CC(C)(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262621465 209625907 /nfs/dbraw/zinc/62/59/07/209625907.db2.gz NXGLKJRTBSHMOJ-GFCCVEGCSA-N 0 3 358.420 0.363 20 5 FCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CN1CCN(C)CC1 ZINC000283827546 213013376 /nfs/dbraw/zinc/01/33/76/213013376.db2.gz FYFDXIMHOQVYIH-NSHDSACASA-N 0 3 353.398 0.929 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000367095904 216075488 /nfs/dbraw/zinc/07/54/88/216075488.db2.gz DULOYBQIDSVERU-QGZVFWFLSA-N 0 3 359.430 0.633 20 5 FCBDHN O=C1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC1 ZINC000246285325 209383304 /nfs/dbraw/zinc/38/33/04/209383304.db2.gz NYVJHROPGDIRDF-WQVCFCJDSA-N 0 3 363.418 0.628 20 5 FCBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193105061 209308805 /nfs/dbraw/zinc/30/88/05/209308805.db2.gz RTXGKLAVUFFPRT-ZDUSSCGKSA-N 0 3 356.448 0.899 20 5 FCBDHN C[C@@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189563258 209255463 /nfs/dbraw/zinc/25/54/63/209255463.db2.gz ZTBWNGUGMZJKBS-LZWOXQAQSA-N 0 3 353.419 0.721 20 5 FCBDHN C[C@H]1CN(CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277320606 212349304 /nfs/dbraw/zinc/34/93/04/212349304.db2.gz CDJONFYTXQCILY-ZDUSSCGKSA-N 0 3 354.411 0.591 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373675072 217043737 /nfs/dbraw/zinc/04/37/37/217043737.db2.gz RGTSDYFLOLPJPS-VXGBXAGGSA-N 0 3 356.404 0.517 20 5 FCBDHN COc1ccc([C@@H](CCO)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182413571 209130464 /nfs/dbraw/zinc/13/04/64/209130464.db2.gz GCZQUXYCEXECLL-GOEBONIOSA-N 0 3 350.375 0.874 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000375819096 217320976 /nfs/dbraw/zinc/32/09/76/217320976.db2.gz XUNNSWWISYBCGV-BPQIPLTHSA-N 0 3 365.430 0.866 20 5 FCBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1cccc(F)c1 ZINC000424014979 247160439 /nfs/dbraw/zinc/16/04/39/247160439.db2.gz WYFZFELUQSZSKC-LSDHHAIUSA-N 0 3 360.345 0.849 20 5 FCBDHN COc1ccc(CSCC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986250 247155752 /nfs/dbraw/zinc/15/57/52/247155752.db2.gz FOXRQZZNVHYHBX-GFCCVEGCSA-N 0 3 355.416 0.941 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000443312873 248321071 /nfs/dbraw/zinc/32/10/71/248321071.db2.gz HMOQPVQZOCVMGZ-UHFFFAOYSA-N 0 3 373.431 0.586 20 5 FCBDHN Cc1nn(CCC(=O)NC[C@@H]2CCCN2CCCO)c(C)c1[N+](=O)[O-] ZINC000452347085 249310075 /nfs/dbraw/zinc/31/00/75/249310075.db2.gz IBDONGHAHQGEEA-AWEZNQCLSA-N 0 3 353.423 0.761 20 5 FCBDHN C[C@@H](Cc1cnccn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000453098903 249343607 /nfs/dbraw/zinc/34/36/07/249343607.db2.gz XMTLTQRKEXGTQK-LBPRGKRZSA-N 0 3 365.415 0.884 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453803791 249370301 /nfs/dbraw/zinc/37/03/01/249370301.db2.gz GHGRGOXRBDMLTB-AWEZNQCLSA-N 0 3 364.402 0.805 20 5 FCBDHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453808103 249372545 /nfs/dbraw/zinc/37/25/45/249372545.db2.gz QIJCHGLQVDUURN-CQSZACIVSA-N 0 3 350.375 0.496 20 5 FCBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000271669149 211442260 /nfs/dbraw/zinc/44/22/60/211442260.db2.gz WNMOQPGNASTPHJ-VXGBXAGGSA-N 0 3 360.461 0.724 20 5 FCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)CN(C)C ZINC000269904092 211114295 /nfs/dbraw/zinc/11/42/95/211114295.db2.gz MSBPVEUMRXNGOE-ZBEGNZNMSA-N 0 3 352.391 0.142 20 5 FCBDHN O=C(NC[C@@H](O)CN1CCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472565914 250160307 /nfs/dbraw/zinc/16/03/07/250160307.db2.gz TUQZKMPYTGRJRB-CQSZACIVSA-N 0 3 368.365 0.635 20 5 FCBDHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472615854 250167568 /nfs/dbraw/zinc/16/75/68/250167568.db2.gz YQBKQVWXGQCXFY-CYBMUJFWSA-N 0 3 354.338 0.461 20 5 FCBDHN COC(=O)c1cc(C(=O)NC[C@](C)(O)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000473253465 250210995 /nfs/dbraw/zinc/21/09/95/250210995.db2.gz IBKWOFLQQBASOZ-MRXNPFEDSA-N 0 3 353.375 0.814 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000481808761 250364034 /nfs/dbraw/zinc/36/40/34/250364034.db2.gz DHAIZGIMMZSVBO-QGZVFWFLSA-N 0 3 359.386 0.695 20 5 FCBDHN CCOC(=O)CNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000269612260 211022608 /nfs/dbraw/zinc/02/26/08/211022608.db2.gz BRNHOTYTVGRZLZ-UHFFFAOYSA-N 0 3 353.379 0.183 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000066464029 208015989 /nfs/dbraw/zinc/01/59/89/208015989.db2.gz XSFLGEJYDOZKEB-UHFFFAOYSA-N 0 3 374.401 0.399 20 5 FCBDHN CN(C)CCNS(=O)(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080684719 208093982 /nfs/dbraw/zinc/09/39/82/208093982.db2.gz DSDAQTCFROVYRL-UHFFFAOYSA-N 0 3 373.479 0.433 20 5 FCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123473 208173083 /nfs/dbraw/zinc/17/30/83/208173083.db2.gz OYXKCRHXODDHAZ-UHFFFAOYSA-N 0 3 360.414 0.904 20 5 FCBDHN CCN1CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029587289 487726396 /nfs/dbraw/zinc/72/63/96/487726396.db2.gz SFVKBZBROCWBAO-UHFFFAOYSA-N 0 3 357.436 0.292 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2)CC1 ZINC000061173231 488294227 /nfs/dbraw/zinc/29/42/27/488294227.db2.gz WCIVJPPUENGBPY-UHFFFAOYSA-N 0 3 363.399 0.964 20 5 FCBDHN C[C@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000068102297 488360773 /nfs/dbraw/zinc/36/07/73/488360773.db2.gz XGSAUSPWKYPFPO-SNVBAGLBSA-N 0 3 373.435 0.111 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193879237 488430335 /nfs/dbraw/zinc/43/03/35/488430335.db2.gz QXWCJVMIAOJFQY-UHFFFAOYSA-N 0 3 360.411 0.650 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000081230732 488439819 /nfs/dbraw/zinc/43/98/19/488439819.db2.gz OFKIMEWPHXUVFZ-ZDUSSCGKSA-N 0 3 363.418 0.533 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083412995 488448105 /nfs/dbraw/zinc/44/81/05/488448105.db2.gz ILACMWPFSLWQII-GDBMZVCRSA-N 0 3 354.407 0.812 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962361 488459481 /nfs/dbraw/zinc/45/94/81/488459481.db2.gz FAFQSEGQRVFPEC-ZIAGYGMSSA-N 0 3 359.386 0.992 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962361 488459482 /nfs/dbraw/zinc/45/94/82/488459482.db2.gz FAFQSEGQRVFPEC-ZIAGYGMSSA-N 0 3 359.386 0.992 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269153885 488474719 /nfs/dbraw/zinc/47/47/19/488474719.db2.gz DTBLCNNOBJOBDW-UHFFFAOYSA-N 0 3 358.358 0.200 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000101696814 488496160 /nfs/dbraw/zinc/49/61/60/488496160.db2.gz NVKVGCBRONVKGM-ZDUSSCGKSA-N 0 3 366.422 0.159 20 5 FCBDHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110865765 488527353 /nfs/dbraw/zinc/52/73/53/488527353.db2.gz SZIRUNZOYQYTON-UHFFFAOYSA-N 0 3 352.439 0.622 20 5 FCBDHN COc1ccc(NC(=O)CN2CCNC[C@@H]2c2nccn2C)c([N+](=O)[O-])c1 ZINC000261653060 488529364 /nfs/dbraw/zinc/52/93/64/488529364.db2.gz AEBSOCQRSRHEBQ-OAHLLOKOSA-N 0 3 374.401 0.922 20 5 FCBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000271669142 488537258 /nfs/dbraw/zinc/53/72/58/488537258.db2.gz WNMOQPGNASTPHJ-NEPJUHHUSA-N 0 3 360.461 0.724 20 5 FCBDHN COCCNCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262161922 488554233 /nfs/dbraw/zinc/55/42/33/488554233.db2.gz SYBCCHWCMDIZDC-LLVKDONJSA-N 0 3 354.363 0.145 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000119653206 488558244 /nfs/dbraw/zinc/55/82/44/488558244.db2.gz SQHROZYCAFOTSA-UHFFFAOYSA-N 0 3 374.401 0.550 20 5 FCBDHN CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262244149 488559185 /nfs/dbraw/zinc/55/91/85/488559185.db2.gz QTGGUSFNHZEXRC-LBPRGKRZSA-N 0 3 370.431 0.555 20 5 FCBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000562989955 491206109 /nfs/dbraw/zinc/20/61/09/491206109.db2.gz UNMGQWJQAILWKZ-GDBMZVCRSA-N 0 3 367.402 0.562 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000124061304 488589787 /nfs/dbraw/zinc/58/97/87/488589787.db2.gz HDCRCANJPAIKLR-UHFFFAOYSA-N 0 3 362.390 0.752 20 5 FCBDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272807805 488607264 /nfs/dbraw/zinc/60/72/64/488607264.db2.gz BNLZAKASXSTPSK-UHFFFAOYSA-N 0 3 368.390 0.626 20 5 FCBDHN C[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000272908375 488616102 /nfs/dbraw/zinc/61/61/02/488616102.db2.gz DLCZGXLUWFAFLI-OAHLLOKOSA-N 0 3 370.431 0.522 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127747994 488619877 /nfs/dbraw/zinc/61/98/77/488619877.db2.gz PJIZVTIWNUJYDS-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000129617982 488632435 /nfs/dbraw/zinc/63/24/35/488632435.db2.gz YPOGWXLHHMGOBB-UHFFFAOYSA-N 0 3 351.407 0.699 20 5 FCBDHN C[NH+](C)CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000129617982 488632436 /nfs/dbraw/zinc/63/24/36/488632436.db2.gz YPOGWXLHHMGOBB-UHFFFAOYSA-N 0 3 351.407 0.699 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000130535870 488637927 /nfs/dbraw/zinc/63/79/27/488637927.db2.gz DYAAASAAZUUBEK-UHFFFAOYSA-N 0 3 365.434 0.794 20 5 FCBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCCC1 ZINC000273536809 488657475 /nfs/dbraw/zinc/65/74/75/488657475.db2.gz SKGSHPAKEVAPNW-KBPBESRZSA-N 0 3 366.443 0.795 20 5 FCBDHN COCCN(C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264488731 488678491 /nfs/dbraw/zinc/67/84/91/488678491.db2.gz NKWOAWLFNGSGTG-UHFFFAOYSA-N 0 3 372.809 0.672 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274437189 488707947 /nfs/dbraw/zinc/70/79/47/488707947.db2.gz KYOWJHYMWBXWEC-UHFFFAOYSA-N 0 3 358.782 0.617 20 5 FCBDHN COc1ccc(NC(=O)CCN2CCN(C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275049096 488756768 /nfs/dbraw/zinc/75/67/68/488756768.db2.gz JZKRWFCIYQQRJA-ZDUSSCGKSA-N 0 3 366.418 0.930 20 5 FCBDHN Cn1cc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176476 491221886 /nfs/dbraw/zinc/22/18/86/491221886.db2.gz OYFRWCLNFFHHKV-HZPDHXFCSA-N 0 3 370.413 0.739 20 5 FCBDHN Cn1cc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176475 491222126 /nfs/dbraw/zinc/22/21/26/491222126.db2.gz OYFRWCLNFFHHKV-HOTGVXAUSA-N 0 3 370.413 0.739 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000172709264 488837235 /nfs/dbraw/zinc/83/72/35/488837235.db2.gz NNKGTRMSAYVFLW-UHFFFAOYSA-N 0 3 366.403 0.783 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000288563927 488992680 /nfs/dbraw/zinc/99/26/80/488992680.db2.gz KBRPJBFPDLMYAG-LLVKDONJSA-N 0 3 369.374 0.551 20 5 FCBDHN C[C@@H](CC[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280875596 489037498 /nfs/dbraw/zinc/03/74/98/489037498.db2.gz YJONHGUDIMFNPJ-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN O=C1N[C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281513897 489082149 /nfs/dbraw/zinc/08/21/49/489082149.db2.gz YWSDHEJFQCVRSJ-AGIUHOORSA-N 0 3 351.359 0.765 20 5 FCBDHN COC(=O)CC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290036380 489109667 /nfs/dbraw/zinc/10/96/67/489109667.db2.gz UJVZIVIDGRYHHC-AWEZNQCLSA-N 0 3 350.375 0.524 20 5 FCBDHN CN(C[C@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762369 489164242 /nfs/dbraw/zinc/16/42/42/489164242.db2.gz KETKTPQNKJGJKR-WMLDXEAASA-N 0 3 362.386 0.817 20 5 FCBDHN C[C@H](CO)N1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966767 489223211 /nfs/dbraw/zinc/22/32/11/489223211.db2.gz RCNFDQUYGOGEKS-HUUCEWRRSA-N 0 3 353.419 0.723 20 5 FCBDHN COc1ccc(OCCN2C(C)C(=O)N(C)S2(=O)=O)c([N+](=O)[O-])c1 ZINC000283629176 489283138 /nfs/dbraw/zinc/28/31/38/489283138.db2.gz WOTMCZHDRPBFDZ-SECBINFHSA-N 0 3 359.360 0.390 20 5 FCBDHN N[C@H]1C[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000563433034 491244653 /nfs/dbraw/zinc/24/46/53/491244653.db2.gz KAAHEEIGWFKIEY-IUCAKERBSA-N 0 3 356.180 0.501 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000299069150 489401812 /nfs/dbraw/zinc/40/18/12/489401812.db2.gz WBOQJDPZHHPIIA-UHFFFAOYSA-N 0 3 353.379 0.183 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1O ZINC000563547890 491254496 /nfs/dbraw/zinc/25/44/96/491254496.db2.gz SEGUUQWMQHYFSE-KBPBESRZSA-N 0 3 360.370 0.655 20 5 FCBDHN COCC[NH+](CCOC)C1CCN(C(=O)c2n[n-]cc2[N+](=O)[O-])CC1 ZINC000286831845 489434451 /nfs/dbraw/zinc/43/44/51/489434451.db2.gz ZESNQUKTNCHVAW-UHFFFAOYSA-N 0 3 355.395 0.517 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363218275 489440030 /nfs/dbraw/zinc/44/00/30/489440030.db2.gz HFPUTFMKEKUBQS-LBPRGKRZSA-N 0 3 350.423 0.732 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363218275 489440031 /nfs/dbraw/zinc/44/00/31/489440031.db2.gz HFPUTFMKEKUBQS-LBPRGKRZSA-N 0 3 350.423 0.732 20 5 FCBDHN C[C@@H]1CCN[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000423080536 489492148 /nfs/dbraw/zinc/49/21/48/489492148.db2.gz BRTOHAAYQLSMKW-BXUZGUMPSA-N 0 3 370.431 0.377 20 5 FCBDHN C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423217379 489503829 /nfs/dbraw/zinc/50/38/29/489503829.db2.gz RZRAITAUOGLWLR-NWDGAFQWSA-N 0 3 370.431 0.377 20 5 FCBDHN CN(C)C1(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416302979 489580552 /nfs/dbraw/zinc/58/05/52/489580552.db2.gz PWNPZIJGLMSBMM-UHFFFAOYSA-N 0 3 370.431 0.426 20 5 FCBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372859191 489645535 /nfs/dbraw/zinc/64/55/35/489645535.db2.gz QIBHAACLCCWWCR-JKSUJKDBSA-N 0 3 356.382 0.971 20 5 FCBDHN Cn1cc(C[C@@H](CO)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000563887880 491275192 /nfs/dbraw/zinc/27/51/92/491275192.db2.gz KFJMDHKSONTUPS-ZFWWWQNUSA-N 0 3 350.375 0.261 20 5 FCBDHN CN1CCN(CCC(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000474804268 489786829 /nfs/dbraw/zinc/78/68/29/489786829.db2.gz MQRFFLWQRWABLT-UHFFFAOYSA-N 0 3 352.439 0.714 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922377 489792098 /nfs/dbraw/zinc/79/20/98/489792098.db2.gz KXCPDHLOUPYTJU-RISCZKNCSA-N 0 3 364.402 0.483 20 5 FCBDHN CN(C)CC[C@](C)(O)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420020011 489882381 /nfs/dbraw/zinc/88/23/81/489882381.db2.gz RTBLMBGROFKAGW-KRWDZBQOSA-N 0 3 367.402 0.727 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C[C@H](C)O)CC1 ZINC000494412248 489890889 /nfs/dbraw/zinc/89/08/89/489890889.db2.gz QBRUVCDEIUNCKT-ZDUSSCGKSA-N 0 3 366.418 0.930 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420049495 489893422 /nfs/dbraw/zinc/89/34/22/489893422.db2.gz YIGUKXYFTDUOKD-YPMHNXCESA-N 0 3 364.402 0.782 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420049493 489893558 /nfs/dbraw/zinc/89/35/58/489893558.db2.gz YIGUKXYFTDUOKD-DGCLKSJQSA-N 0 3 364.402 0.782 20 5 FCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F ZINC000564078576 491287318 /nfs/dbraw/zinc/28/73/18/491287318.db2.gz TVLKNUXPUVCSTE-MNOVXSKESA-N 0 3 365.312 0.295 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420201813 489949886 /nfs/dbraw/zinc/94/98/86/489949886.db2.gz OTNBWRZZQHNKOJ-CQSZACIVSA-N 0 3 362.386 0.190 20 5 FCBDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377736729 489950569 /nfs/dbraw/zinc/95/05/69/489950569.db2.gz BXLQLYXNXQNGSM-HNNXBMFYSA-N 0 3 368.459 0.995 20 5 FCBDHN CC1(C)CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000477322817 489958032 /nfs/dbraw/zinc/95/80/32/489958032.db2.gz PIDMPKCPOVKOIX-UHFFFAOYSA-N 0 3 352.416 0.996 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)c2ncccc12 ZINC000420481090 489983262 /nfs/dbraw/zinc/98/32/62/489983262.db2.gz QDWFUZGBBNPZTF-SNVBAGLBSA-N 0 3 352.372 0.410 20 5 FCBDHN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)NCCN(C)C ZINC000571225016 491294354 /nfs/dbraw/zinc/29/43/54/491294354.db2.gz QSCYJOWRVWDCEZ-LBPRGKRZSA-N 0 3 361.402 0.732 20 5 FCBDHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321716 490048849 /nfs/dbraw/zinc/04/88/49/490048849.db2.gz UKAAVDUVLWBCRF-HIFRSBDPSA-N 0 3 360.418 0.393 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000421700098 490099390 /nfs/dbraw/zinc/09/93/90/490099390.db2.gz DDFCJYPBPSGJNO-LLVKDONJSA-N 0 3 360.370 0.743 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000386811882 490130926 /nfs/dbraw/zinc/13/09/26/490130926.db2.gz PVNCYSAAOPJRFD-JTQLQIEISA-N 0 3 364.196 0.458 20 5 FCBDHN COC(=O)COc1ccc(CN[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447067430 490186422 /nfs/dbraw/zinc/18/64/22/490186422.db2.gz KFCMBSNXUFFRNY-MRXNPFEDSA-N 0 3 354.359 0.778 20 5 FCBDHN Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000521371297 490252667 /nfs/dbraw/zinc/25/26/67/490252667.db2.gz BNVJDHZZPBSWOL-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000564854022 491331278 /nfs/dbraw/zinc/33/12/78/491331278.db2.gz IROQONXJHOTLBO-CQSZACIVSA-N 0 3 371.459 0.926 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000525103046 490576101 /nfs/dbraw/zinc/57/61/01/490576101.db2.gz KFNGFNPOVNHFHZ-OCCSQVGLSA-N 0 3 363.418 0.993 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501130391 490582637 /nfs/dbraw/zinc/58/26/37/490582637.db2.gz VLSOZFMKYATSAZ-NSHDSACASA-N 0 3 352.395 0.001 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000501513502 490609950 /nfs/dbraw/zinc/60/99/50/490609950.db2.gz PLGPABGRASCHBV-QGZVFWFLSA-N 0 3 359.386 0.695 20 5 FCBDHN CS[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1N(C)C ZINC000540297185 490814316 /nfs/dbraw/zinc/81/43/16/490814316.db2.gz IGWWLDORHPAXFQ-VXGBXAGGSA-N 0 3 360.461 0.724 20 5 FCBDHN CN(C)CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000505636417 490835472 /nfs/dbraw/zinc/83/54/72/490835472.db2.gz PLLUMNDWHYXDRE-UHFFFAOYSA-N 0 3 362.386 0.873 20 5 FCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000505886051 490843515 /nfs/dbraw/zinc/84/35/15/490843515.db2.gz YODXLFSSNFOTJP-NWDGAFQWSA-N 0 3 370.431 0.472 20 5 FCBDHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000505886050 490843638 /nfs/dbraw/zinc/84/36/38/490843638.db2.gz YODXLFSSNFOTJP-NEPJUHHUSA-N 0 3 370.431 0.472 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000541140893 490851963 /nfs/dbraw/zinc/85/19/63/490851963.db2.gz SCHAOGZZLUCOBX-ZDUSSCGKSA-N 0 3 350.375 0.998 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516878289 490882656 /nfs/dbraw/zinc/88/26/56/490882656.db2.gz FREKDUZYLDTIPE-UONOGXRCSA-N 0 3 361.402 0.476 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000530620146 490916322 /nfs/dbraw/zinc/91/63/22/490916322.db2.gz PXEZOXMZGCEHHA-UHFFFAOYSA-N 0 3 351.359 0.553 20 5 FCBDHN CN(C)CCN(CCN(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000530641364 490917219 /nfs/dbraw/zinc/91/72/19/490917219.db2.gz PHLBVFFJIHWYIV-UHFFFAOYSA-N 0 3 365.434 0.276 20 5 FCBDHN CCNC(=O)N1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000517925333 490924785 /nfs/dbraw/zinc/92/47/85/490924785.db2.gz DMDBJYUCDLESED-OCCSQVGLSA-N 0 3 352.391 0.728 20 5 FCBDHN NC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000544454531 490969036 /nfs/dbraw/zinc/96/90/36/490969036.db2.gz GTMJVRUWAFKSND-ZDUSSCGKSA-N 0 3 350.375 0.794 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000532093617 490986500 /nfs/dbraw/zinc/98/65/00/490986500.db2.gz QOQXMSWXPVIFRB-CQSZACIVSA-N 0 3 364.450 0.877 20 5 FCBDHN [NH3+]CCC1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000572492495 491374043 /nfs/dbraw/zinc/37/40/43/491374043.db2.gz APFDVQRPZARMEO-UHFFFAOYSA-N 0 3 370.431 0.461 20 5 FCBDHN CN1CCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1(C)C ZINC000572822677 491395688 /nfs/dbraw/zinc/39/56/88/491395688.db2.gz KPARBVFFOQWFEA-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000573354502 491428404 /nfs/dbraw/zinc/42/84/04/491428404.db2.gz JEMBHWMNWKNLCQ-GFCCVEGCSA-N 0 3 360.370 0.743 20 5 FCBDHN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCCCC1 ZINC000559266091 491459758 /nfs/dbraw/zinc/45/97/58/491459758.db2.gz XDEXINIDHFOGFZ-CYBMUJFWSA-N 0 3 366.422 0.288 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000574453677 491497908 /nfs/dbraw/zinc/49/79/08/491497908.db2.gz AXAZGXSUJBGQJY-GHMZBOCLSA-N 0 3 356.404 0.130 20 5 FCBDHN Cc1c(Br)c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000574532762 491502886 /nfs/dbraw/zinc/50/28/86/491502886.db2.gz QDPYIGMBNIXQGK-RKDXNWHRSA-N 0 3 370.207 0.809 20 5 FCBDHN C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567912382 491540887 /nfs/dbraw/zinc/54/08/87/491540887.db2.gz NMQIIXZCLPVMJA-JRPNMDOOSA-N 0 3 370.431 0.376 20 5 FCBDHN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCN(C)C ZINC000560565795 491545299 /nfs/dbraw/zinc/54/52/99/491545299.db2.gz QIXXOWTXHZTIIB-GFCCVEGCSA-N 0 3 374.401 0.577 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)C2CCOCC2)cc1 ZINC000575312347 491548258 /nfs/dbraw/zinc/54/82/58/491548258.db2.gz NDDJMCKYNMSLKK-HNNXBMFYSA-N 0 3 358.416 0.746 20 5 FCBDHN N[C@H]1C[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568416073 491576227 /nfs/dbraw/zinc/57/62/27/491576227.db2.gz MGUYFLJILLCXTO-YPMHNXCESA-N 0 3 350.400 0.457 20 5 FCBDHN CN(CC(=O)N[C@@H](CO)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000568447128 491577711 /nfs/dbraw/zinc/57/77/11/491577711.db2.gz DJPAOHJGJRXBLR-CQSZACIVSA-N 0 3 350.419 0.994 20 5 FCBDHN CCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540385 491602565 /nfs/dbraw/zinc/60/25/65/491602565.db2.gz WTLIOPAGOGUZDL-XJKSGUPXSA-N 0 3 350.375 0.674 20 5 FCBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CNCCO1 ZINC000569229301 491643750 /nfs/dbraw/zinc/64/37/50/491643750.db2.gz NOQXBGXJBCNJTC-GFCCVEGCSA-N 0 3 364.358 0.388 20 5 FCBDHN COc1ccc(NC(=O)C2(S(C)(=O)=O)CCNCC2)cc1[N+](=O)[O-] ZINC000580076306 491716494 /nfs/dbraw/zinc/71/64/94/491716494.db2.gz FEPFWDQGOOEKQZ-UHFFFAOYSA-N 0 3 357.388 0.709 20 5 FCBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580829163 491747328 /nfs/dbraw/zinc/74/73/28/491747328.db2.gz AOQWMWYSGDJOKA-RYUDHWBXSA-N 0 3 361.420 0.252 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580845222 491748827 /nfs/dbraw/zinc/74/88/27/491748827.db2.gz VKARWFWTTROPON-QWHCGFSZSA-N 0 3 363.374 0.057 20 5 FCBDHN Cc1nn(CCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860620 491750368 /nfs/dbraw/zinc/75/03/68/491750368.db2.gz KEUQZSKKXPBJNC-UONOGXRCSA-N 0 3 351.407 0.466 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588869227 491750722 /nfs/dbraw/zinc/75/07/22/491750722.db2.gz IXTWMZPBJXEOHD-CYBMUJFWSA-N 0 3 359.386 0.967 20 5 FCBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580947907 491752880 /nfs/dbraw/zinc/75/28/80/491752880.db2.gz SLRVDHDUXDYQPA-KGLIPLIRSA-N 0 3 373.431 0.348 20 5 FCBDHN CNC(=O)COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580990493 491754544 /nfs/dbraw/zinc/75/45/44/491754544.db2.gz OURNZESJVNHVCM-CQSZACIVSA-N 0 3 363.374 0.067 20 5 FCBDHN C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581140983 491761243 /nfs/dbraw/zinc/76/12/43/491761243.db2.gz TZZCJPGVJNEFNH-MNOVXSKESA-N 0 3 356.404 0.211 20 5 FCBDHN Cc1c(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000589422174 491761735 /nfs/dbraw/zinc/76/17/35/491761735.db2.gz DGEDJWOFNXSAKI-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C ZINC000581499871 491775586 /nfs/dbraw/zinc/77/55/86/491775586.db2.gz VLNKSLJLKLTTLJ-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971870 491790257 /nfs/dbraw/zinc/79/02/57/491790257.db2.gz RKPALZBFNMPAOT-LBPRGKRZSA-N 0 3 351.359 0.762 20 5 FCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582551024 491817310 /nfs/dbraw/zinc/81/73/10/491817310.db2.gz JPNTXXCJCSISMW-AAEUAGOBSA-N 0 3 370.431 0.935 20 5 FCBDHN C[C@@H](N)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 ZINC000592306612 491835463 /nfs/dbraw/zinc/83/54/63/491835463.db2.gz CTNPUMCKYJSZMP-RNCFNFMXSA-N 0 3 357.388 0.187 20 5 FCBDHN C[C@H](N)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 ZINC000592306614 491835504 /nfs/dbraw/zinc/83/55/04/491835504.db2.gz CTNPUMCKYJSZMP-ZANVPECISA-N 0 3 357.388 0.187 20 5 FCBDHN C[C@H](Cn1cncn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595012963 491878116 /nfs/dbraw/zinc/87/81/16/491878116.db2.gz GWSSDCFXQSWGRH-LLVKDONJSA-N 0 3 354.392 0.143 20 5 FCBDHN C[C@H](Cn1cncn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595017447 491878291 /nfs/dbraw/zinc/87/82/91/491878291.db2.gz VIWALQWWLJHQCS-LLVKDONJSA-N 0 3 354.392 0.143 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000596416824 491985193 /nfs/dbraw/zinc/98/51/93/491985193.db2.gz DLGKLMPCDXHZMX-UHFFFAOYSA-N 0 3 365.434 0.799 20 5 FCBDHN CN1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603631790 492039698 /nfs/dbraw/zinc/03/96/98/492039698.db2.gz YYEONPLSHQXOEM-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000597653491 492056662 /nfs/dbraw/zinc/05/66/62/492056662.db2.gz JSGMAXXDBASPOR-SECBINFHSA-N 0 3 366.403 0.516 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597653288 492056986 /nfs/dbraw/zinc/05/69/86/492056986.db2.gz IWHVZHSTXFTMIC-QWRGUYRKSA-N 0 3 370.431 0.300 20 5 FCBDHN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000597701908 492060443 /nfs/dbraw/zinc/06/04/43/492060443.db2.gz XDMMLAMFMATYBZ-VXGBXAGGSA-N 0 3 370.431 0.424 20 5 FCBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000604561110 492063548 /nfs/dbraw/zinc/06/35/48/492063548.db2.gz XKKMWPAIWNPJDO-AWEZNQCLSA-N 0 3 360.370 0.348 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598184122 492087939 /nfs/dbraw/zinc/08/79/39/492087939.db2.gz LRKFODYJLRRCTC-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN COC(=O)c1ccnc(NCCCN2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000598593246 492106077 /nfs/dbraw/zinc/10/60/77/492106077.db2.gz RHNCVKZZVBMHEK-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FCBDHN CN(C[C@H]1CCCN(C)C1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596918 492107135 /nfs/dbraw/zinc/10/71/35/492107135.db2.gz BIAXEBNIGWVAFC-ZDUSSCGKSA-N 0 3 350.423 0.999 20 5 FCBDHN CS[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000598608035 492108379 /nfs/dbraw/zinc/10/83/79/492108379.db2.gz PYYHRRHBGOGZFA-RYUDHWBXSA-N 0 3 368.463 0.703 20 5 FCBDHN CCN(CCO)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598907593 492122930 /nfs/dbraw/zinc/12/29/30/492122930.db2.gz NMVOGQQCHXIUGP-UHFFFAOYSA-N 0 3 353.379 0.147 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599759542 492205570 /nfs/dbraw/zinc/20/55/70/492205570.db2.gz DKBHAUHZWSKLFV-INIZCTEOSA-N 0 3 363.349 0.716 20 5 FCBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571509 492214336 /nfs/dbraw/zinc/21/43/36/492214336.db2.gz BMFFLVNZXKKJQT-LBPRGKRZSA-N 0 3 350.423 0.535 20 5 FCBDHN CN1CCN(C(=O)CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566845 492231921 /nfs/dbraw/zinc/23/19/21/492231921.db2.gz HTGRCAHHDBTXFU-UONOGXRCSA-N 0 3 350.423 0.639 20 5 FCBDHN COC1CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000610573718 492252727 /nfs/dbraw/zinc/25/27/27/492252727.db2.gz XAPVSNOIRCMFMB-UHFFFAOYSA-N 0 3 358.420 0.765 20 5 FCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611100925 492278223 /nfs/dbraw/zinc/27/82/23/492278223.db2.gz WLNNYKRWNUVHOI-CYBMUJFWSA-N 0 3 362.390 0.007 20 5 FCBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000545174292 546882969 /nfs/dbraw/zinc/88/29/69/546882969.db2.gz DKIPPGHRHDGFLO-INIZCTEOSA-N 0 3 353.375 0.799 20 5 FCBDHN C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592471091 546951366 /nfs/dbraw/zinc/95/13/66/546951366.db2.gz VCEINMNKYOHUMD-DGCLKSJQSA-N 0 3 370.431 0.459 20 5 FCBDHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592548606 546953650 /nfs/dbraw/zinc/95/36/50/546953650.db2.gz KXXSSFDEKPXDOH-QWRGUYRKSA-N 0 3 374.394 0.032 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592543758 546953749 /nfs/dbraw/zinc/95/37/49/546953749.db2.gz HXDGMXSNBQMHTL-CYBMUJFWSA-N 0 3 370.431 0.621 20 5 FCBDHN C[C@@H]1[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592766461 546957429 /nfs/dbraw/zinc/95/74/29/546957429.db2.gz SLWXMRNNJBWTGR-VXGBXAGGSA-N 0 3 370.431 0.330 20 5 FCBDHN C[C@@H]1[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592766461 546957430 /nfs/dbraw/zinc/95/74/30/546957430.db2.gz SLWXMRNNJBWTGR-VXGBXAGGSA-N 0 3 370.431 0.330 20 5 FCBDHN [NH3+]CC1(CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000593914723 546993868 /nfs/dbraw/zinc/99/38/68/546993868.db2.gz PPXDHYBPDLVJEP-UHFFFAOYSA-N 0 3 356.404 0.118 20 5 FCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000449661861 547345360 /nfs/dbraw/zinc/34/53/60/547345360.db2.gz JXFBLLSLVIKXAZ-GFCCVEGCSA-N 0 3 352.301 0.903 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1 ZINC000736856709 599060351 /nfs/dbraw/zinc/06/03/51/599060351.db2.gz MJBNGQCDPIGZCD-GFCCVEGCSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1 ZINC000736856709 599060353 /nfs/dbraw/zinc/06/03/53/599060353.db2.gz MJBNGQCDPIGZCD-GFCCVEGCSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1 ZINC000736856709 599060357 /nfs/dbraw/zinc/06/03/57/599060357.db2.gz MJBNGQCDPIGZCD-GFCCVEGCSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1 ZINC000736856709 599060360 /nfs/dbraw/zinc/06/03/60/599060360.db2.gz MJBNGQCDPIGZCD-GFCCVEGCSA-N 0 3 373.421 0.386 20 5 FCBDHN C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821583404 606402755 /nfs/dbraw/zinc/40/27/55/606402755.db2.gz ULSVHYFUWFDXQW-UHFFFAOYSA-N 0 3 361.410 0.608 20 5 FCBDHN C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821583404 606402757 /nfs/dbraw/zinc/40/27/57/606402757.db2.gz ULSVHYFUWFDXQW-UHFFFAOYSA-N 0 3 361.410 0.608 20 5 FCBDHN CN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000899735118 665959697 /nfs/dbraw/zinc/95/96/97/665959697.db2.gz XMKNFOYCDDBCER-UHFFFAOYSA-N 0 3 360.208 0.940 20 5 FCBDHN Cn1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(F)F)n1 ZINC001025775619 664189252 /nfs/dbraw/zinc/18/92/52/664189252.db2.gz JPBKQOJEFHEESZ-HMUNZLOLSA-N 0 3 355.345 0.569 20 5 FCBDHN CN(CC(=O)N(CCO)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000911939723 666383778 /nfs/dbraw/zinc/38/37/78/666383778.db2.gz XTTZATIFPKAZBN-UHFFFAOYSA-N 0 3 350.419 0.946 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001811023 667509926 /nfs/dbraw/zinc/50/99/26/667509926.db2.gz UYSZXPBKKCJTQE-CHWSQXEVSA-N 0 3 350.375 0.195 20 5 FCBDHN O=C1NC2(CO1)CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000784455675 668658428 /nfs/dbraw/zinc/65/84/28/668658428.db2.gz XHMZTHAVULQMPN-GFCCVEGCSA-N 0 3 351.359 0.909 20 5 FCBDHN O=C1NC2(CO1)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000784464692 668658888 /nfs/dbraw/zinc/65/88/88/668658888.db2.gz MODDCJYHNNYSQS-ZDUSSCGKSA-N 0 3 351.359 0.909 20 5 FCBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000819136904 668982849 /nfs/dbraw/zinc/98/28/49/668982849.db2.gz QFMTZTBMTCSGFI-CQSZACIVSA-N 0 3 370.387 0.325 20 5 FCBDHN CC([C@@H](OC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845880565 671045185 /nfs/dbraw/zinc/04/51/85/671045185.db2.gz IBIFCMBREDOQIJ-QPUJVOFHSA-N 0 3 351.294 0.466 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000853241188 671544553 /nfs/dbraw/zinc/54/45/53/671544553.db2.gz JEHOQYULHIIIDS-NWDGAFQWSA-N 0 3 356.404 0.517 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866393056 672270292 /nfs/dbraw/zinc/27/02/92/672270292.db2.gz LGQGORBQFLWBOK-UHFFFAOYSA-N 0 3 356.448 0.998 20 5 FCBDHN CS(=O)(=O)CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525147 675859232 /nfs/dbraw/zinc/85/92/32/675859232.db2.gz NDAXOXANYMKFPX-XVIXHAIJSA-N 0 3 359.448 0.055 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnn(-c2ccncc2)c1 ZINC000974114374 1183002017 /nfs/dbraw/zinc/00/20/17/1183002017.db2.gz GBVUFJFRKPHFIQ-AYRXBEOTSA-N 0 3 370.369 0.310 20 5 FCBDHN CN(C)c1ccncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979059130 1186048842 /nfs/dbraw/zinc/04/88/42/1186048842.db2.gz MSQAEBHRSRQRSL-NWJSVONSSA-N 0 3 361.402 0.437 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2nnc(-c3ccco3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084266 1198143096 /nfs/dbraw/zinc/14/30/96/1198143096.db2.gz KCRRMXWNOBKWKW-WRWGMCAJSA-N 0 3 361.358 0.979 20 5 FCBDHN Nc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000103123317 1199057970 /nfs/dbraw/zinc/05/79/70/1199057970.db2.gz BALFMIXYDZMZJK-UHFFFAOYSA-N 0 3 361.402 0.557 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865510050 1209980023 /nfs/dbraw/zinc/98/00/23/1209980023.db2.gz WYWRMNAKKCCNOK-UHFFFAOYSA-N 0 3 366.393 0.971 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)C2(CF)CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055647507 1215897084 /nfs/dbraw/zinc/89/70/84/1215897084.db2.gz SJVRBLDTLVJJCJ-ZIAGYGMSSA-N 0 3 370.425 0.488 20 5 FCBDHN COc1nccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001050517618 1216328423 /nfs/dbraw/zinc/32/84/23/1216328423.db2.gz WVQQKDDADQZZPP-ZIAGYGMSSA-N 0 3 361.402 0.575 20 5 FCBDHN O=C(CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1)Nc1ccccc1 ZINC001048812350 1218317991 /nfs/dbraw/zinc/31/79/91/1218317991.db2.gz GCBOMNTYRZCDPY-OCVGTWLNSA-N 0 3 358.398 0.681 20 5 FCBDHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(=O)NC(C)C)CC1 ZINC001151121067 1222915907 /nfs/dbraw/zinc/91/59/07/1222915907.db2.gz DGYXQDITDYSLQH-ZIAGYGMSSA-N 0 3 370.450 0.164 20 5 FCBDHN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn(-c2ccncc2)n1 ZINC001003428774 1252904826 /nfs/dbraw/zinc/90/48/26/1252904826.db2.gz JBUSCIPOJZTBQC-UKRRQHHQSA-N 0 3 370.369 0.121 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001330004586 1265922581 /nfs/dbraw/zinc/92/25/81/1265922581.db2.gz YENINQDBOWFCCX-KBPBESRZSA-N 0 3 364.406 0.041 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001330004588 1265922609 /nfs/dbraw/zinc/92/26/09/1265922609.db2.gz YENINQDBOWFCCX-KGLIPLIRSA-N 0 3 364.406 0.041 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001261912339 1260214817 /nfs/dbraw/zinc/21/48/17/1260214817.db2.gz JDJXBPYUAABKPB-UHFFFAOYSA-N 0 3 364.450 0.728 20 5 FCBDHN CN1CCN(Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC001321891807 1264090664 /nfs/dbraw/zinc/09/06/64/1264090664.db2.gz XGJAACZMHOCKNX-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001323373783 1264413856 /nfs/dbraw/zinc/41/38/56/1264413856.db2.gz OEPWTMQWTNNOKG-CQSZACIVSA-N 0 3 364.402 0.690 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC001323906173 1264538145 /nfs/dbraw/zinc/53/81/45/1264538145.db2.gz QQICXHDFGUPGPY-STQMWFEESA-N 0 3 366.422 0.144 20 5 FCBDHN C[NH+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001604680158 1287727027 /nfs/dbraw/zinc/72/70/27/1287727027.db2.gz JQQKMCMKEWFIMO-UHFFFAOYSA-N 0 3 374.405 0.375 20 5 FCBDHN C[NH+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001604680158 1287727034 /nfs/dbraw/zinc/72/70/34/1287727034.db2.gz JQQKMCMKEWFIMO-UHFFFAOYSA-N 0 3 374.405 0.375 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC001592757510 1285678962 /nfs/dbraw/zinc/67/89/62/1285678962.db2.gz KSLBOSHKHRRNFU-VHSXEESVSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC001592757510 1285678973 /nfs/dbraw/zinc/67/89/73/1285678973.db2.gz KSLBOSHKHRRNFU-VHSXEESVSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC001592757510 1285678977 /nfs/dbraw/zinc/67/89/77/1285678977.db2.gz KSLBOSHKHRRNFU-VHSXEESVSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC001592757510 1285678983 /nfs/dbraw/zinc/67/89/83/1285678983.db2.gz KSLBOSHKHRRNFU-VHSXEESVSA-N 0 3 360.378 0.632 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC001592758652 1285680013 /nfs/dbraw/zinc/68/00/13/1285680013.db2.gz ZWMUBZUVRWREBP-LLVKDONJSA-N 0 3 374.405 0.516 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC001592758652 1285680018 /nfs/dbraw/zinc/68/00/18/1285680018.db2.gz ZWMUBZUVRWREBP-LLVKDONJSA-N 0 3 374.405 0.516 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC([NH2+]C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001592756674 1285680165 /nfs/dbraw/zinc/68/01/65/1285680165.db2.gz KGHVQDLDLXTWDD-UHFFFAOYSA-N 0 3 360.378 0.314 20 5 FCBDHN Nc1c([N+](=O)[O-])ccc(N2CC([NH2+]C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001592756674 1285680168 /nfs/dbraw/zinc/68/01/68/1285680168.db2.gz KGHVQDLDLXTWDD-UHFFFAOYSA-N 0 3 360.378 0.314 20 5 FCBDHN Cn1cc(-c2cc(CNC/C=C\CNC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cn1 ZINC001699256143 1289547744 /nfs/dbraw/zinc/54/77/44/1289547744.db2.gz ZXARCNLRIFTRGT-KXAWDHGWSA-N 0 3 360.374 0.502 20 5 FCBDHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCn1cnc2ccccc2c1=O ZINC001753048923 1290618529 /nfs/dbraw/zinc/61/85/29/1290618529.db2.gz KTQAPMGBAGNXEG-UKRRQHHQSA-N 0 3 359.386 0.110 20 5 FCBDHN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)NC2CC2)CC1 ZINC001690134478 1294861507 /nfs/dbraw/zinc/86/15/07/1294861507.db2.gz SONGNBRILQZPJK-HUUCEWRRSA-N 0 3 352.435 0.633 20 5 FCBDHN CCn1ncc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n1 ZINC001115530517 846561687 /nfs/dbraw/zinc/56/16/87/846561687.db2.gz BFYUBKMYGSXESR-ZIAGYGMSSA-N 0 3 350.423 0.872 20 5 FCBDHN CN1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156596648 849916332 /nfs/dbraw/zinc/91/63/32/849916332.db2.gz ABGSFAPTHYMQAB-ZDUSSCGKSA-N 0 3 370.431 0.330 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N(C)S(=O)(=O)CCN ZINC001164300117 850404392 /nfs/dbraw/zinc/40/43/92/850404392.db2.gz GZLNTYJVRWXSGL-UHFFFAOYSA-N 0 3 351.768 0.760 20 5 FCBDHN CS(=O)(=O)N(c1nc(Cl)nc2ccc([N+](=O)[O-])cc21)C1CNC1 ZINC001166968474 850516670 /nfs/dbraw/zinc/51/66/70/850516670.db2.gz XVOQKWZFIRTZKP-UHFFFAOYSA-N 0 3 357.779 0.929 20 5 FCBDHN COC(=O)C(C(=O)OC)c1cc(NCC2CN(C)C2)ccc1[N+](=O)[O-] ZINC001170259503 850648881 /nfs/dbraw/zinc/64/88/81/850648881.db2.gz WMJUTPSICGLBDZ-UHFFFAOYSA-N 0 3 351.359 0.998 20 5 FCBDHN CCOC(=O)C1=C(Nc2cnc([N+](=O)[O-])cc2C(=O)OC)CCNC1 ZINC001170521293 850657595 /nfs/dbraw/zinc/65/75/95/850657595.db2.gz TYSUEGWSOPSOGS-UHFFFAOYSA-N 0 3 350.331 0.999 20 5 FCBDHN CCC(CC)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223113951 856897167 /nfs/dbraw/zinc/89/71/67/856897167.db2.gz FOJODYATXNGYRF-HUUCEWRRSA-N 0 3 354.451 0.785 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001307226162 866650873 /nfs/dbraw/zinc/65/08/73/866650873.db2.gz CKXUQIPZVARDBC-STQMWFEESA-N 0 3 370.431 0.278 20 5 FCBDHN CN(CC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295374343 214294837 /nfs/dbraw/zinc/29/48/37/214294837.db2.gz GODCFHARZUKJPA-CQSZACIVSA-N 0 3 350.419 0.994 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000290826685 213996036 /nfs/dbraw/zinc/99/60/36/213996036.db2.gz PCUHBTCDUZFJFG-UHFFFAOYSA-N 0 3 364.402 0.669 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCC(O)CC1 ZINC000265409148 210127137 /nfs/dbraw/zinc/12/71/37/210127137.db2.gz DEJBMWLKADCHJW-UHFFFAOYSA-N 0 3 364.402 0.805 20 5 FCBDHN CN1CC[C@@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285760910 213392126 /nfs/dbraw/zinc/39/21/26/213392126.db2.gz LZGIYYOMNCURNF-GJZGRUSLSA-N 0 3 362.386 0.256 20 5 FCBDHN COc1ccc(NC(=O)CCN2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000284287042 213104533 /nfs/dbraw/zinc/10/45/33/213104533.db2.gz NSTYLDCQCYRVDX-UHFFFAOYSA-N 0 3 366.374 0.244 20 5 FCBDHN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000245879588 209377121 /nfs/dbraw/zinc/37/71/21/209377121.db2.gz AYUWTIIZOMWUCU-KGLIPLIRSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000369116528 216350620 /nfs/dbraw/zinc/35/06/20/216350620.db2.gz LDERFXZPRXBDMJ-HUUCEWRRSA-N 0 3 372.385 0.769 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000369116529 216351157 /nfs/dbraw/zinc/35/11/57/216351157.db2.gz LDERFXZPRXBDMJ-LSDHHAIUSA-N 0 3 372.385 0.769 20 5 FCBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189458431 209251165 /nfs/dbraw/zinc/25/11/65/209251165.db2.gz BLUYDUQPQYSCQF-GFCCVEGCSA-N 0 3 350.419 0.971 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000189121867 209246435 /nfs/dbraw/zinc/24/64/35/209246435.db2.gz FICBOLMZWHEXNL-UHFFFAOYSA-N 0 3 374.438 0.958 20 5 FCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188609914 209233736 /nfs/dbraw/zinc/23/37/36/209233736.db2.gz UKWUUEUWVZTAIS-GXTWGEPZSA-N 0 3 350.350 0.579 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000373675066 217043919 /nfs/dbraw/zinc/04/39/19/217043919.db2.gz RGTSDYFLOLPJPS-NEPJUHHUSA-N 0 3 356.404 0.517 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000181962266 209123742 /nfs/dbraw/zinc/12/37/42/209123742.db2.gz RTYXPZZUSVRBKT-HZPDHXFCSA-N 0 3 365.430 0.989 20 5 FCBDHN O=C1Nc2ccccc2[C@@]12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000375319644 217250510 /nfs/dbraw/zinc/25/05/10/217250510.db2.gz NDOWWSVJENHYJA-DYVFJYSZSA-N 0 3 357.370 0.748 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181216969 209109115 /nfs/dbraw/zinc/10/91/15/209109115.db2.gz GLILYIMYKGTRKI-CQSZACIVSA-N 0 3 361.402 0.556 20 5 FCBDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419342504 246107364 /nfs/dbraw/zinc/10/73/64/246107364.db2.gz AVSZAPWXVVLHHW-SNVBAGLBSA-N 0 3 362.390 0.721 20 5 FCBDHN O=C(C(=O)N1CCCNCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423600958 247070231 /nfs/dbraw/zinc/07/02/31/247070231.db2.gz BJRJRRSWAOACBN-UHFFFAOYSA-N 0 3 361.402 0.065 20 5 FCBDHN CCOC(=O)Cn1nc(C)c(CNCCn2cc([N+](=O)[O-])cn2)c1C ZINC000438176504 248076732 /nfs/dbraw/zinc/07/67/32/248076732.db2.gz IZBCTHNXTVSLCS-UHFFFAOYSA-N 0 3 350.379 0.958 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CN1C1CC1 ZINC000440930415 248224612 /nfs/dbraw/zinc/22/46/12/248224612.db2.gz UJLLQLDKYBTDIW-QWRGUYRKSA-N 0 3 372.381 0.932 20 5 FCBDHN COc1cc(OCC(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452351579 249310041 /nfs/dbraw/zinc/31/00/41/249310041.db2.gz QCEFDYBHAYVJKX-ZDUSSCGKSA-N 0 3 367.402 0.945 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269972067 211129740 /nfs/dbraw/zinc/12/97/40/211129740.db2.gz ZVSTVZVUQAQYKG-AWEZNQCLSA-N 0 3 358.782 0.616 20 5 FCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000181039013 209106217 /nfs/dbraw/zinc/10/62/17/209106217.db2.gz IFWOVEQTZUIHIZ-UHFFFAOYSA-N 0 3 361.402 0.557 20 5 FCBDHN CN(CC(=O)NCCCN1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000080368473 208093662 /nfs/dbraw/zinc/09/36/62/208093662.db2.gz CJSGCVKQSQABPY-UHFFFAOYSA-N 0 3 350.419 0.994 20 5 FCBDHN COCCN(CCN(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000104555859 208184522 /nfs/dbraw/zinc/18/45/22/208184522.db2.gz CQLPHNJZLUQQOR-UHFFFAOYSA-N 0 3 362.390 0.826 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(CCN(C)C)CC2)c1F ZINC000413059873 533215850 /nfs/dbraw/zinc/21/58/50/533215850.db2.gz HVADNELRFHOJBY-UHFFFAOYSA-N 0 3 368.409 0.991 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916345 533487127 /nfs/dbraw/zinc/48/71/27/533487127.db2.gz MJVPQIPCOUJGGO-KBPBESRZSA-N 0 3 367.402 0.371 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691743 488874489 /nfs/dbraw/zinc/87/44/89/488874489.db2.gz LDZMLZFNDWBYAG-VXGBXAGGSA-N 0 3 363.370 0.959 20 5 FCBDHN C[C@@H](C[NH+](C)C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000287476926 488873362 /nfs/dbraw/zinc/87/33/62/488873362.db2.gz GDHOTDSRBMIFGI-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN CN1CCN(CCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000302853314 488892157 /nfs/dbraw/zinc/89/21/57/488892157.db2.gz ALSUHWZVYHLXMJ-UHFFFAOYSA-N 0 3 373.417 0.543 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000278907395 488903844 /nfs/dbraw/zinc/90/38/44/488903844.db2.gz VNMVZOFJKDMKGB-UHFFFAOYSA-N 0 3 372.447 0.519 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278943988 488906469 /nfs/dbraw/zinc/90/64/69/488906469.db2.gz XVUWKYGOVICUBN-LBPRGKRZSA-N 0 3 351.407 0.811 20 5 FCBDHN C[C@H](CN1CCOCC1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279713251 488963163 /nfs/dbraw/zinc/96/31/63/488963163.db2.gz KROMTCXRSDGXQD-CABCVRRESA-N 0 3 353.419 0.987 20 5 FCBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065931509 488323082 /nfs/dbraw/zinc/32/30/82/488323082.db2.gz HXZZRJBMWDKLCS-UHFFFAOYSA-N 0 3 350.354 0.916 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067483399 488351639 /nfs/dbraw/zinc/35/16/39/488351639.db2.gz VMIILDZUTNGYNR-UHFFFAOYSA-N 0 3 373.417 0.543 20 5 FCBDHN COCCN(C)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000075617347 488397992 /nfs/dbraw/zinc/39/79/92/488397992.db2.gz GBGISIDVUWTDLY-UHFFFAOYSA-N 0 3 362.390 0.874 20 5 FCBDHN CCc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000091743250 488468868 /nfs/dbraw/zinc/46/88/68/488468868.db2.gz UKNICDCSGFLTPU-ZDUSSCGKSA-N 0 3 350.423 0.634 20 5 FCBDHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269113268 488470354 /nfs/dbraw/zinc/47/03/54/488470354.db2.gz XVTAPVOUTDZFMH-CQSZACIVSA-N 0 3 370.431 0.411 20 5 FCBDHN C[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000269373244 488496792 /nfs/dbraw/zinc/49/67/92/488496792.db2.gz ZGIRZMXIWKVRQV-OAHLLOKOSA-N 0 3 370.431 0.379 20 5 FCBDHN Cc1c(CNC(=O)C(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000570000989 491209392 /nfs/dbraw/zinc/20/93/92/491209392.db2.gz JVEBRVHKWVDWPM-UHFFFAOYSA-N 0 3 352.391 0.214 20 5 FCBDHN COc1ccc(CNC(=O)C2(S(C)(=O)=O)CCNCC2)cc1[N+](=O)[O-] ZINC000262275126 488560859 /nfs/dbraw/zinc/56/08/59/488560859.db2.gz WICVLZRUVPQLLV-UHFFFAOYSA-N 0 3 371.415 0.386 20 5 FCBDHN [NH3+]CC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000262726850 488587798 /nfs/dbraw/zinc/58/77/98/488587798.db2.gz BCZSTXYSBLSSGL-UHFFFAOYSA-N 0 3 357.388 0.916 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000262755254 488590296 /nfs/dbraw/zinc/59/02/96/488590296.db2.gz PGKHHYLANWWJIJ-JTQLQIEISA-N 0 3 357.388 0.644 20 5 FCBDHN C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000272616298 488592543 /nfs/dbraw/zinc/59/25/43/488592543.db2.gz TXRVEKHHBVIHSN-NXEZZACHSA-N 0 3 352.416 0.995 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000273113794 488632520 /nfs/dbraw/zinc/63/25/20/488632520.db2.gz WVWCBAPTUPYRPH-UHFFFAOYSA-N 0 3 364.402 0.206 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000150894043 488700724 /nfs/dbraw/zinc/70/07/24/488700724.db2.gz AEXCUBLYKHHGNT-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN CCN(CCO)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000274604976 488722787 /nfs/dbraw/zinc/72/27/87/488722787.db2.gz XVXKTLGNLAFJRG-HNNXBMFYSA-N 0 3 350.375 0.518 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171339815 488822471 /nfs/dbraw/zinc/82/24/71/488822471.db2.gz LTYIVDNCYSITEE-UHFFFAOYSA-N 0 3 364.406 0.017 20 5 FCBDHN O=C1CCCCN1CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173439692 488842723 /nfs/dbraw/zinc/84/27/23/488842723.db2.gz ISRLAROPCUUNRA-INIZCTEOSA-N 0 3 365.434 0.877 20 5 FCBDHN O=C1N[C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281276022 489064710 /nfs/dbraw/zinc/06/47/10/489064710.db2.gz IIVSSXCAMYLYSR-KYOSRNDESA-N 0 3 351.359 0.765 20 5 FCBDHN CN(C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762365 489164365 /nfs/dbraw/zinc/16/43/65/489164365.db2.gz KETKTPQNKJGJKR-RHSMWYFYSA-N 0 3 362.386 0.817 20 5 FCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563449666 491248016 /nfs/dbraw/zinc/24/80/16/491248016.db2.gz ZKXCGPGOKJMYTG-RYUDHWBXSA-N 0 3 363.374 0.769 20 5 FCBDHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298484276 489330792 /nfs/dbraw/zinc/33/07/92/489330792.db2.gz HAHWBPUREGVOQV-UHFFFAOYSA-N 0 3 372.447 0.519 20 5 FCBDHN O=C1OCCN1c1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000370250245 489334550 /nfs/dbraw/zinc/33/45/50/489334550.db2.gz ZOFQZDFHGHGRFA-UHFFFAOYSA-N 0 3 370.387 0.535 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370425309 489357865 /nfs/dbraw/zinc/35/78/65/489357865.db2.gz SEAQSMIAKDRMQP-OAHLLOKOSA-N 0 3 364.450 0.727 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370425305 489358301 /nfs/dbraw/zinc/35/83/01/489358301.db2.gz SEAQSMIAKDRMQP-HNNXBMFYSA-N 0 3 364.450 0.727 20 5 FCBDHN CC(C)NS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570564383 491249723 /nfs/dbraw/zinc/24/97/23/491249723.db2.gz NYCQCYQDAOWSKF-LBPRGKRZSA-N 0 3 361.420 0.252 20 5 FCBDHN NS(=O)(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362731402 489394915 /nfs/dbraw/zinc/39/49/15/489394915.db2.gz POAKDERGDZEJPM-UHFFFAOYSA-N 0 3 356.404 0.676 20 5 FCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000370767125 489399419 /nfs/dbraw/zinc/39/94/19/489399419.db2.gz RRKHXOITLVIDBM-INIZCTEOSA-N 0 3 350.350 0.581 20 5 FCBDHN CCN1CCC(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000299248612 489423729 /nfs/dbraw/zinc/42/37/29/489423729.db2.gz UFCPKPDKHFKYCU-UHFFFAOYSA-N 0 3 364.402 0.934 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000371135765 489455651 /nfs/dbraw/zinc/45/56/51/489455651.db2.gz FQCZQKYSPWYPBJ-ZDUSSCGKSA-N 0 3 370.431 0.907 20 5 FCBDHN N[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000423088632 489492089 /nfs/dbraw/zinc/49/20/89/489492089.db2.gz QKXYDJWMMPORGJ-CYBMUJFWSA-N 0 3 356.404 0.117 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000563712212 491264814 /nfs/dbraw/zinc/26/48/14/491264814.db2.gz CDECSOMHCKGLMM-CYBMUJFWSA-N 0 3 364.450 1.035 20 5 FCBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000426896054 489586078 /nfs/dbraw/zinc/58/60/78/489586078.db2.gz WBZXMRYSEVZONJ-ZDUSSCGKSA-N 0 3 363.374 0.731 20 5 FCBDHN [NH3+][C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417679943 489661048 /nfs/dbraw/zinc/66/10/48/489661048.db2.gz MVSSIWFULBCHDD-LLVKDONJSA-N 0 3 371.419 0.006 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869146 489767176 /nfs/dbraw/zinc/76/71/76/489767176.db2.gz OJQQNMWSTCTGEC-FZMZJTMJSA-N 0 3 364.402 0.483 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000418936735 489796350 /nfs/dbraw/zinc/79/63/50/489796350.db2.gz KCXHWRWVYUNCAB-SMDDNHRTSA-N 0 3 364.402 0.805 20 5 FCBDHN CN(C)CCOCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000460964851 489890229 /nfs/dbraw/zinc/89/02/29/489890229.db2.gz QCWDXSIJYCRLCG-UHFFFAOYSA-N 0 3 360.436 0.835 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420049494 489893666 /nfs/dbraw/zinc/89/36/66/489893666.db2.gz YIGUKXYFTDUOKD-WCQYABFASA-N 0 3 364.402 0.782 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420204252 489950937 /nfs/dbraw/zinc/95/09/37/489950937.db2.gz QYVFQJKCHWCCBL-OAHLLOKOSA-N 0 3 362.386 0.190 20 5 FCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000434710830 489951355 /nfs/dbraw/zinc/95/13/55/489951355.db2.gz ZOTBEEKCHWKRFH-NWDGAFQWSA-N 0 3 370.431 0.472 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000571179581 491290574 /nfs/dbraw/zinc/29/05/74/491290574.db2.gz SRTBTGRIIVCBSO-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CNCCN2C)c([N+](=O)[O-])c1 ZINC000420263318 489958424 /nfs/dbraw/zinc/95/84/24/489958424.db2.gz BVHMHEBQKBKBMZ-ZDUSSCGKSA-N 0 3 358.402 0.875 20 5 FCBDHN NS(=O)(=O)c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000378295427 490041566 /nfs/dbraw/zinc/04/15/66/490041566.db2.gz ROGQKNDWFOOZPP-LBPRGKRZSA-N 0 3 370.431 0.907 20 5 FCBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000545156709 490086629 /nfs/dbraw/zinc/08/66/29/490086629.db2.gz BOUXLFWVSZSLRY-INIZCTEOSA-N 0 3 360.374 0.280 20 5 FCBDHN O=C(NC[C@H]1CCCN(C(=O)c2n[n-]cc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000495723839 490089458 /nfs/dbraw/zinc/08/94/58/490089458.db2.gz KDXZXLLQPMIKFW-MNOVXSKESA-N 0 3 350.379 0.038 20 5 FCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000545382894 490125587 /nfs/dbraw/zinc/12/55/87/490125587.db2.gz BTXNCCKLNHKJGE-SFHVURJKSA-N 0 3 371.397 0.939 20 5 FCBDHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000445547524 490138202 /nfs/dbraw/zinc/13/82/02/490138202.db2.gz HIGHXFBFCUCDFL-VHSXEESVSA-N 0 3 357.388 0.914 20 5 FCBDHN CC(C)N1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000497520562 490172373 /nfs/dbraw/zinc/17/23/73/490172373.db2.gz OESRIAYELOVSHR-UHFFFAOYSA-N 0 3 350.423 0.949 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000497805060 490218154 /nfs/dbraw/zinc/21/81/54/490218154.db2.gz KFPYDMPFLHWPMZ-UHFFFAOYSA-N 0 3 367.406 0.642 20 5 FCBDHN O=[N+]([O-])c1ccc2[nH]c(=NCCCCN3CCN(CCO)CC3)[nH]c2c1 ZINC000447675313 490256477 /nfs/dbraw/zinc/25/64/77/490256477.db2.gz AKMSSJCDBUJMIC-UHFFFAOYSA-N 0 3 362.434 0.695 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000508517139 490334325 /nfs/dbraw/zinc/33/43/25/490334325.db2.gz ZTNOPGABBDZRDR-UHFFFAOYSA-N 0 3 352.395 0.253 20 5 FCBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000522265182 490362114 /nfs/dbraw/zinc/36/21/14/490362114.db2.gz KKSOACVCZOICTC-ZDUSSCGKSA-N 0 3 352.439 0.526 20 5 FCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000449653117 490417634 /nfs/dbraw/zinc/41/76/34/490417634.db2.gz BTSDSPMRKAZLAW-GFCCVEGCSA-N 0 3 356.329 0.828 20 5 FCBDHN C[C@H](CO)N1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000468749561 490442956 /nfs/dbraw/zinc/44/29/56/490442956.db2.gz NGNVZBIIGKDMGJ-LLVKDONJSA-N 0 3 358.420 0.135 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450595188 490477325 /nfs/dbraw/zinc/47/73/25/490477325.db2.gz LPCMPPJIEHQQSW-NSHDSACASA-N 0 3 358.420 0.501 20 5 FCBDHN CN1CCC(CNc2ncc([N+](=O)[O-])c(N)n2)(N2CCOCC2)CC1 ZINC000413487405 490503281 /nfs/dbraw/zinc/50/32/81/490503281.db2.gz ZYJJEOJPMNPNLZ-UHFFFAOYSA-N 0 3 351.411 0.176 20 5 FCBDHN C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422974815 490508929 /nfs/dbraw/zinc/50/89/29/490508929.db2.gz ARNOFKPGQFWCAQ-OLZOCXBDSA-N 0 3 356.448 0.993 20 5 FCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537962131 490703430 /nfs/dbraw/zinc/70/34/30/490703430.db2.gz LQLWDVLMDGDKQV-SMDDNHRTSA-N 0 3 371.415 0.715 20 5 FCBDHN C[C@@H]1CN(C[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000488745211 490773519 /nfs/dbraw/zinc/77/35/19/490773519.db2.gz KUXDAIOXWUFODD-IJEWVQPXSA-N 0 3 367.450 0.898 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000516572301 490869103 /nfs/dbraw/zinc/86/91/03/490869103.db2.gz LMDQBRNIXZIIAU-NEPJUHHUSA-N 0 3 368.415 0.084 20 5 FCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565237973 491363501 /nfs/dbraw/zinc/36/35/01/491363501.db2.gz DZSCHUJCUJOWPY-OLZOCXBDSA-N 0 3 368.415 0.144 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000543838313 490949162 /nfs/dbraw/zinc/94/91/62/490949162.db2.gz DLOQPOKHUVNWPF-OAHLLOKOSA-N 0 3 359.386 0.674 20 5 FCBDHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000519000511 490958904 /nfs/dbraw/zinc/95/89/04/490958904.db2.gz DTAWQDGBZCENNH-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000569502286 491164984 /nfs/dbraw/zinc/16/49/84/491164984.db2.gz KVJYLVPOQGIRPZ-CYBMUJFWSA-N 0 3 352.347 0.351 20 5 FCBDHN C[N@@H+]1CCN(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000562529523 491171930 /nfs/dbraw/zinc/17/19/30/491171930.db2.gz XDCUEZQCDSJRAN-UHFFFAOYSA-N 0 3 357.436 0.294 20 5 FCBDHN C[N@H+]1CCN(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000562529523 491171933 /nfs/dbraw/zinc/17/19/33/491171933.db2.gz XDCUEZQCDSJRAN-UHFFFAOYSA-N 0 3 357.436 0.294 20 5 FCBDHN Cc1ccc(CN2CC[C@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000573083767 491411068 /nfs/dbraw/zinc/41/10/68/491411068.db2.gz IKOQGNPUDSOVIV-SJORKVTESA-N 0 3 373.413 0.851 20 5 FCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000573311196 491425807 /nfs/dbraw/zinc/42/58/07/491425807.db2.gz SYFQESUMMSULHV-LBPRGKRZSA-N 0 3 370.431 0.565 20 5 FCBDHN [NH3+]C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000566239863 491429189 /nfs/dbraw/zinc/42/91/89/491429189.db2.gz WOYDXIXRVDOMDQ-NSHDSACASA-N 0 3 356.404 0.070 20 5 FCBDHN C[C@@H]1COCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640861 491488930 /nfs/dbraw/zinc/48/89/30/491488930.db2.gz SSQYJUMVKYCPPN-CZUORRHYSA-N 0 3 353.423 0.337 20 5 FCBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccn1 ZINC000567710478 491524170 /nfs/dbraw/zinc/52/41/70/491524170.db2.gz LPRBKCDRYJRFRJ-JKSUJKDBSA-N 0 3 374.401 0.328 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000575933924 491571377 /nfs/dbraw/zinc/57/13/77/491571377.db2.gz ZYYFHSRCXIVEGY-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568416070 491576155 /nfs/dbraw/zinc/57/61/55/491576155.db2.gz MGUYFLJILLCXTO-AAEUAGOBSA-N 0 3 350.400 0.457 20 5 FCBDHN O=C1CCC(=O)N1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584464722 491594363 /nfs/dbraw/zinc/59/43/63/491594363.db2.gz GFAVWPBJOUIXBW-UHFFFAOYSA-N 0 3 369.399 0.497 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccc(F)cc1 ZINC000569095861 491632918 /nfs/dbraw/zinc/63/29/18/491632918.db2.gz MQCQOIFINUUMBG-GJZGRUSLSA-N 0 3 363.349 0.686 20 5 FCBDHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000569121072 491635554 /nfs/dbraw/zinc/63/55/54/491635554.db2.gz BBGXNVYTFYEFOB-NWDGAFQWSA-N 0 3 363.374 0.057 20 5 FCBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000578980013 491688162 /nfs/dbraw/zinc/68/81/62/491688162.db2.gz OVWQQZZRCBVERG-INIZCTEOSA-N 0 3 359.386 0.327 20 5 FCBDHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579344638 491695810 /nfs/dbraw/zinc/69/58/10/491695810.db2.gz JYNYEUYWHSORDQ-DGCLKSJQSA-N 0 3 361.420 0.252 20 5 FCBDHN N[C@H]1C[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CCN2C1=O ZINC000579615404 491701696 /nfs/dbraw/zinc/70/16/96/491701696.db2.gz HMTYFNZTCFINAB-STQMWFEESA-N 0 3 359.386 0.235 20 5 FCBDHN Cc1nn(C)c(C(=O)NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000579655972 491702346 /nfs/dbraw/zinc/70/23/46/491702346.db2.gz RGPSQXSPWYJMEG-UHFFFAOYSA-N 0 3 362.390 0.902 20 5 FCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000579820059 491705988 /nfs/dbraw/zinc/70/59/88/491705988.db2.gz LZJNYXHIZPWSRW-UHFFFAOYSA-N 0 3 363.418 0.899 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000580488834 491733324 /nfs/dbraw/zinc/73/33/24/491733324.db2.gz JBCIPHRKUQKROR-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCN(C)C ZINC000581320463 491768469 /nfs/dbraw/zinc/76/84/69/491768469.db2.gz DZPKTQPTIIGXDO-VIFPVBQESA-N 0 3 352.347 0.120 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590369995 491774381 /nfs/dbraw/zinc/77/43/81/491774381.db2.gz QIHIYXJHSDFVJA-CQSZACIVSA-N 0 3 350.419 0.850 20 5 FCBDHN CC(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)N1CC[C@H](N(C)C)C1 ZINC000590399236 491775283 /nfs/dbraw/zinc/77/52/83/491775283.db2.gz XODPZTCFCJCOLM-RYUDHWBXSA-N 0 3 366.422 0.625 20 5 FCBDHN C[C@@H]1CCN(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000581834455 491786671 /nfs/dbraw/zinc/78/66/71/491786671.db2.gz PJRBECHITWLOJD-GFCCVEGCSA-N 0 3 358.402 1.408 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000582356065 491808946 /nfs/dbraw/zinc/80/89/46/491808946.db2.gz UBQMTSBDZGKTIZ-ZDUSSCGKSA-N 0 3 358.416 0.891 20 5 FCBDHN COCCN(C)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368077 491809541 /nfs/dbraw/zinc/80/95/41/491809541.db2.gz ULDRSFHWJXZKDQ-UKRRQHHQSA-N 0 3 353.423 0.415 20 5 FCBDHN CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](CN)C1 ZINC000583995212 491856258 /nfs/dbraw/zinc/85/62/58/491856258.db2.gz YCZXAKGMAYEHJT-OAHLLOKOSA-N 0 3 361.446 0.913 20 5 FCBDHN COC(=O)CCN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000594896103 491871302 /nfs/dbraw/zinc/87/13/02/491871302.db2.gz RECIVMVLBAQJFE-LBPRGKRZSA-N 0 3 356.356 0.533 20 5 FCBDHN CN(CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000600816173 491884331 /nfs/dbraw/zinc/88/43/31/491884331.db2.gz DYWGBZNWCUXQEJ-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CC[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595268666 491909774 /nfs/dbraw/zinc/90/97/74/491909774.db2.gz LJQCHAAPHUURKA-ZNMIVQPWSA-N 0 3 361.402 0.999 20 5 FCBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000595274902 491910445 /nfs/dbraw/zinc/91/04/45/491910445.db2.gz DCMOZBHKUSQKQK-UHFFFAOYSA-N 0 3 374.357 0.522 20 5 FCBDHN CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595941883 491962780 /nfs/dbraw/zinc/96/27/80/491962780.db2.gz DMRDYVDCLXSLER-CYBMUJFWSA-N 0 3 370.431 0.377 20 5 FCBDHN CCOC(=O)c1cc(C(=O)Nc2nn(C)c(C)c2CN)cc([N+](=O)[O-])c1 ZINC000595958584 491965135 /nfs/dbraw/zinc/96/51/35/491965135.db2.gz FGAJNAZESCBGTI-UHFFFAOYSA-N 0 3 361.358 1.524 20 5 FCBDHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000596179792 491978726 /nfs/dbraw/zinc/97/87/26/491978726.db2.gz QPVUDAWMZURGFC-NWDGAFQWSA-N 0 3 360.461 0.724 20 5 FCBDHN CN1CCCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603400135 492030870 /nfs/dbraw/zinc/03/08/70/492030870.db2.gz KSIYEVODQOHIFU-UHFFFAOYSA-N 0 3 356.448 0.901 20 5 FCBDHN CN(CC(=O)N1CCN(C)CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000603574115 492037665 /nfs/dbraw/zinc/03/76/65/492037665.db2.gz PVNCZRPNCOHWBF-UHFFFAOYSA-N 0 3 360.374 0.317 20 5 FCBDHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000597531769 492044851 /nfs/dbraw/zinc/04/48/51/492044851.db2.gz FZFVRGHRIDZEHJ-VXGBXAGGSA-N 0 3 370.431 0.472 20 5 FCBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597604478 492051476 /nfs/dbraw/zinc/05/14/76/492051476.db2.gz IOYFISLUBZIPKM-LBPRGKRZSA-N 0 3 370.431 0.799 20 5 FCBDHN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000597701906 492060552 /nfs/dbraw/zinc/06/05/52/492060552.db2.gz XDMMLAMFMATYBZ-NWDGAFQWSA-N 0 3 370.431 0.424 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598187505 492087882 /nfs/dbraw/zinc/08/78/82/492087882.db2.gz PUOIRZFMVVPFOB-UHFFFAOYSA-N 0 3 352.391 0.452 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598189294 492088227 /nfs/dbraw/zinc/08/82/27/492088227.db2.gz ZZWMZHGSYFRSJH-UHFFFAOYSA-N 0 3 352.391 0.452 20 5 FCBDHN COCCN1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598587851 492106359 /nfs/dbraw/zinc/10/63/59/492106359.db2.gz FDFYPDRQEXKHIH-UHFFFAOYSA-N 0 3 366.422 0.744 20 5 FCBDHN COCCN1CC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896912 492120663 /nfs/dbraw/zinc/12/06/63/492120663.db2.gz RLVGYIADIIIRBD-ZDUSSCGKSA-N 0 3 365.390 0.553 20 5 FCBDHN COCCN(CCN(C)C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897277 492121207 /nfs/dbraw/zinc/12/12/07/492121207.db2.gz ZJHSMNUBKQQZDX-UHFFFAOYSA-N 0 3 367.406 0.753 20 5 FCBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCN1CC[C@H](O)C1 ZINC000599199603 492141139 /nfs/dbraw/zinc/14/11/39/492141139.db2.gz MVHIMFISWVQNJV-HNNXBMFYSA-N 0 3 350.419 0.906 20 5 FCBDHN CCCN(C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609316500 492204871 /nfs/dbraw/zinc/20/48/71/492204871.db2.gz LSIDJDBOZPLWGH-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN CCN1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609491517 492210392 /nfs/dbraw/zinc/21/03/92/492210392.db2.gz WATBTWMUBXULSQ-UHFFFAOYSA-N 0 3 362.386 0.874 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CNc3ccnn3C2)cc1 ZINC000619265838 492257018 /nfs/dbraw/zinc/25/70/18/492257018.db2.gz XESXKXGGZWLDFP-GFCCVEGCSA-N 0 3 365.415 0.897 20 5 FCBDHN CC(C)(C(=O)NC1CCN([C@@H]2CCOC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000610925193 492269893 /nfs/dbraw/zinc/26/98/93/492269893.db2.gz XNKYEMIGFBHVHV-CYBMUJFWSA-N 0 3 351.407 0.896 20 5 FCBDHN NS(=O)(=O)c1cc(NC2CCN([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000611165826 492280152 /nfs/dbraw/zinc/28/01/52/492280152.db2.gz XZTOGGRXRWGLQV-CYBMUJFWSA-N 0 3 370.431 0.907 20 5 FCBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244185 492282698 /nfs/dbraw/zinc/28/26/98/492282698.db2.gz HCLQOAXYIXOVMX-HNNXBMFYSA-N 0 3 363.418 0.171 20 5 FCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000545466146 546886969 /nfs/dbraw/zinc/88/69/69/546886969.db2.gz ZDQHMCCMQIVUBA-LBPRGKRZSA-N 0 3 370.431 0.461 20 5 FCBDHN CS(=O)(=O)N1CCN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493965 547000977 /nfs/dbraw/zinc/00/09/77/547000977.db2.gz CKXZMYSDOZZOMB-OAHLLOKOSA-N 0 3 368.459 0.749 20 5 FCBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736144669 598501895 /nfs/dbraw/zinc/50/18/95/598501895.db2.gz QJGVEKKLPDFSBW-JTQLQIEISA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736144669 598501896 /nfs/dbraw/zinc/50/18/96/598501896.db2.gz QJGVEKKLPDFSBW-JTQLQIEISA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736144669 598501897 /nfs/dbraw/zinc/50/18/97/598501897.db2.gz QJGVEKKLPDFSBW-JTQLQIEISA-N 0 3 362.394 0.451 20 5 FCBDHN C[C@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736144669 598501898 /nfs/dbraw/zinc/50/18/98/598501898.db2.gz QJGVEKKLPDFSBW-JTQLQIEISA-N 0 3 362.394 0.451 20 5 FCBDHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613234 599303857 /nfs/dbraw/zinc/30/38/57/599303857.db2.gz DCTNLHBGRIWLSC-AWEZNQCLSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613234 599303862 /nfs/dbraw/zinc/30/38/62/599303862.db2.gz DCTNLHBGRIWLSC-AWEZNQCLSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613234 599303863 /nfs/dbraw/zinc/30/38/63/599303863.db2.gz DCTNLHBGRIWLSC-AWEZNQCLSA-N 0 3 358.362 0.464 20 5 FCBDHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613234 599303867 /nfs/dbraw/zinc/30/38/67/599303867.db2.gz DCTNLHBGRIWLSC-AWEZNQCLSA-N 0 3 358.362 0.464 20 5 FCBDHN O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501094 608016616 /nfs/dbraw/zinc/01/66/16/608016616.db2.gz ZDKVALIUIWYYHC-NSHDSACASA-N 0 3 360.378 0.835 20 5 FCBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCCC1 ZINC001025776091 664189306 /nfs/dbraw/zinc/18/93/06/664189306.db2.gz XDXVWCAEDHYZQZ-SSZWKKLZSA-N 0 3 350.419 0.101 20 5 FCBDHN O=C(NCC1CN(C(=O)c2[nH]cnc2C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001797465 667505267 /nfs/dbraw/zinc/50/52/67/667505267.db2.gz YXMCJQZKFJEIPM-HTQZYQBOSA-N 0 3 361.280 0.282 20 5 FCBDHN O=C(NCC1CN(C(=O)c2nc[nH]c2C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001797465 667505268 /nfs/dbraw/zinc/50/52/68/667505268.db2.gz YXMCJQZKFJEIPM-HTQZYQBOSA-N 0 3 361.280 0.282 20 5 FCBDHN CN1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000799824364 669318290 /nfs/dbraw/zinc/31/82/90/669318290.db2.gz UQZMNPFBTQBMQL-UHFFFAOYSA-N 0 3 362.477 0.961 20 5 FCBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[N+](=O)[O-] ZINC000813103638 669827715 /nfs/dbraw/zinc/82/77/15/669827715.db2.gz DCOJQKZRNOIVFQ-SECBINFHSA-N 0 3 363.417 0.574 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813108601 669827892 /nfs/dbraw/zinc/82/78/92/669827892.db2.gz IBSBQJILCNWQKA-AAEUAGOBSA-N 0 3 372.399 0.966 20 5 FCBDHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113992 669828168 /nfs/dbraw/zinc/82/81/68/669828168.db2.gz XKWGBJLNHQHLKW-JTQLQIEISA-N 0 3 358.372 0.766 20 5 FCBDHN CC(COC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813115516 669828412 /nfs/dbraw/zinc/82/84/12/669828412.db2.gz UKFSRXCLUKEXPU-PSLIRLAXSA-N 0 3 353.306 0.801 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855697255 671660912 /nfs/dbraw/zinc/66/09/12/671660912.db2.gz MGQWEZHHYOVDBK-HNNXBMFYSA-N 0 3 352.391 0.107 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cscn1 ZINC001055574920 676024579 /nfs/dbraw/zinc/02/45/79/676024579.db2.gz DKHHEECKYVAYLG-DGCLKSJQSA-N 0 3 367.431 0.119 20 5 FCBDHN Cn1c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc2c1=O ZINC001022063918 1170551954 /nfs/dbraw/zinc/55/19/54/1170551954.db2.gz OWUDMSNXPMKAPL-NDPMZMCLSA-N 0 3 371.397 0.336 20 5 FCBDHN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000979751885 1186115738 /nfs/dbraw/zinc/11/57/38/1186115738.db2.gz AOCKJKVBEUUGTC-PZTHBURQSA-N 0 3 357.370 0.624 20 5 FCBDHN Cn1nnc2cc(CN3CCCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC000981136808 1186329829 /nfs/dbraw/zinc/32/98/29/1186329829.db2.gz HKHJTRDKFQPQTE-CZUORRHYSA-N 0 3 358.402 0.668 20 5 FCBDHN CN(C)CCN1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1=O ZINC000894382579 1188175792 /nfs/dbraw/zinc/17/57/92/1188175792.db2.gz PUGBCWHUBCBTJJ-UHFFFAOYSA-N 0 3 373.413 0.657 20 5 FCBDHN CN(C)C(=O)C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000553253615 1193982539 /nfs/dbraw/zinc/98/25/39/1193982539.db2.gz SUAUEVMSBMPEFY-JKSUJKDBSA-N 0 3 361.402 0.961 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808161088 1202875025 /nfs/dbraw/zinc/87/50/25/1202875025.db2.gz QHNYQMZBTZXIPC-XNJGSVPQSA-N 0 3 374.397 0.755 20 5 FCBDHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813102534 1202990588 /nfs/dbraw/zinc/99/05/88/1202990588.db2.gz RLKZVCKTDKWBMB-QLJPJBMISA-N 0 3 365.342 0.671 20 5 FCBDHN CC([C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845873463 1204561530 /nfs/dbraw/zinc/56/15/30/1204561530.db2.gz DLXNBMJAAXEEQP-MEBBXXQBSA-N 0 3 365.317 0.636 20 5 FCBDHN CC([C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845873462 1204561797 /nfs/dbraw/zinc/56/17/97/1204561797.db2.gz DLXNBMJAAXEEQP-BONVTDFDSA-N 0 3 365.317 0.636 20 5 FCBDHN C[C@@]1(C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000776592992 1209545494 /nfs/dbraw/zinc/54/54/94/1209545494.db2.gz SJELBMIKURJUPO-YOEHRIQHSA-N 0 3 362.386 0.938 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861709989 1209875896 /nfs/dbraw/zinc/87/58/96/1209875896.db2.gz MOQPHWCVKSWQTO-LSDHHAIUSA-N 0 3 359.386 0.612 20 5 FCBDHN O=Cc1ccc(OCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712430 1209876332 /nfs/dbraw/zinc/87/63/32/1209876332.db2.gz OHNYURUKWJAVSS-KGLIPLIRSA-N 0 3 363.370 0.454 20 5 FCBDHN Cc1ncc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000953926920 1213024097 /nfs/dbraw/zinc/02/40/97/1213024097.db2.gz IBKFGGCRZLPQPI-UKRRQHHQSA-N 0 3 361.402 0.822 20 5 FCBDHN O=C(c1ccn(-c2ccncc2)n1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011112928 1213829130 /nfs/dbraw/zinc/82/91/30/1213829130.db2.gz YUDZBEMYXZJQCG-UKRRQHHQSA-N 0 3 370.369 0.217 20 5 FCBDHN O=C(NCc1ccc2c(c1)CN(C(=O)c1ccn[nH]1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000965869073 1215138588 /nfs/dbraw/zinc/13/85/88/1215138588.db2.gz QVCFOHLASRNOBX-UKRRQHHQSA-N 0 3 355.354 0.847 20 5 FCBDHN CCC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001055619160 1215891358 /nfs/dbraw/zinc/89/13/58/1215891358.db2.gz ULGNJUGMYRKJEW-HUUCEWRRSA-N 0 3 366.462 0.929 20 5 FCBDHN Cc1coc(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001055619740 1215891716 /nfs/dbraw/zinc/89/17/16/1215891716.db2.gz BBEQZGSRYHEFJC-ZIAGYGMSSA-N 0 3 364.402 0.564 20 5 FCBDHN CCCC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055637579 1215893235 /nfs/dbraw/zinc/89/32/35/1215893235.db2.gz APJQUIOSUNSPLB-HUUCEWRRSA-N 0 3 366.462 0.929 20 5 FCBDHN O=C(CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001223113947 1225682289 /nfs/dbraw/zinc/68/22/89/1225682289.db2.gz FJMVBXZZJZAQKU-HUUCEWRRSA-N 0 3 364.402 0.389 20 5 FCBDHN COc1ncc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001045436708 1217928356 /nfs/dbraw/zinc/92/83/56/1217928356.db2.gz UUSBOVUYGXTKMB-ZIAGYGMSSA-N 0 3 363.418 0.930 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)C2(CCF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055601792 1219095930 /nfs/dbraw/zinc/09/59/30/1219095930.db2.gz BZBCNNVQOHGQCF-ZIAGYGMSSA-N 0 3 370.425 0.488 20 5 FCBDHN CC(C)CN(C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001227258135 1225868301 /nfs/dbraw/zinc/86/83/01/1225868301.db2.gz LIXVVMPPFYZCEQ-HZPDHXFCSA-N 0 3 366.462 0.879 20 5 FCBDHN O=C(NCC1(NCc2nnnn2C2CC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530778 1221311339 /nfs/dbraw/zinc/31/13/39/1221311339.db2.gz QXGAOOQYXGJRHW-CHWSQXEVSA-N 0 3 363.422 0.582 20 5 FCBDHN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001159434024 1223126966 /nfs/dbraw/zinc/12/69/66/1223126966.db2.gz VQCJDWHJHCCCFH-IXDOHACOSA-N 0 3 374.441 0.543 20 5 FCBDHN Cn1c(=O)oc2ccc(CN3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)cc21 ZINC001031662844 1253881522 /nfs/dbraw/zinc/88/15/22/1253881522.db2.gz NMSYDDMBRXRADA-CHWSQXEVSA-N 0 3 360.370 0.345 20 5 FCBDHN CN1CCN(CCC(C)(C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001255094939 1259904398 /nfs/dbraw/zinc/90/43/98/1259904398.db2.gz AHZVUNGZKAXWIL-UHFFFAOYSA-N 0 3 365.434 0.289 20 5 FCBDHN CN(CCN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1)Cc1ccccc1 ZINC001338205232 1260585793 /nfs/dbraw/zinc/58/57/93/1260585793.db2.gz FFVHSDURXAODPG-UHFFFAOYSA-N 0 3 373.461 0.846 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001318178476 1263548926 /nfs/dbraw/zinc/54/89/26/1263548926.db2.gz DUBCFXHFYUMDHQ-CYBMUJFWSA-N 0 3 364.406 0.040 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001321440954 1263962810 /nfs/dbraw/zinc/96/28/10/1263962810.db2.gz XSXITLMGHZSUKR-CQSZACIVSA-N 0 3 364.406 0.122 20 5 FCBDHN COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341640353 1269126180 /nfs/dbraw/zinc/12/61/80/1269126180.db2.gz MYHOJKXTALKPKG-KBPBESRZSA-N 0 3 368.438 0.421 20 5 FCBDHN C[NH+](C)C[C@@]1(O)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604680819 1287727771 /nfs/dbraw/zinc/72/77/71/1287727771.db2.gz PSVLEGZZFMTQOF-HNNXBMFYSA-N 0 3 365.369 0.807 20 5 FCBDHN C[NH+](C)C[C@@]1(O)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604680819 1287727779 /nfs/dbraw/zinc/72/77/79/1287727779.db2.gz PSVLEGZZFMTQOF-HNNXBMFYSA-N 0 3 365.369 0.807 20 5 FCBDHN CN(C)C(=O)CN(CC[NH+](C)C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604686978 1287732586 /nfs/dbraw/zinc/73/25/86/1287732586.db2.gz UOZISELPYCAILA-UHFFFAOYSA-N 0 3 362.394 0.231 20 5 FCBDHN CN(C)C(=O)CN(CC[NH+](C)C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604686978 1287732595 /nfs/dbraw/zinc/73/25/95/1287732595.db2.gz UOZISELPYCAILA-UHFFFAOYSA-N 0 3 362.394 0.231 20 5 FCBDHN COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC001591597630 1284760443 /nfs/dbraw/zinc/76/04/43/1284760443.db2.gz BVEIZGOEUPSZFD-LBPRGKRZSA-N 0 3 374.361 0.131 20 5 FCBDHN COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001591597630 1284760452 /nfs/dbraw/zinc/76/04/52/1284760452.db2.gz BVEIZGOEUPSZFD-LBPRGKRZSA-N 0 3 374.361 0.131 20 5 FCBDHN Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007897 1285055982 /nfs/dbraw/zinc/05/59/82/1285055982.db2.gz STFFTSPXWMMPBW-UHFFFAOYSA-N 0 3 361.406 0.976 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC001593484869 1286173804 /nfs/dbraw/zinc/17/38/04/1286173804.db2.gz KXWHYHQIYPNZMV-NSHDSACASA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC001593484869 1286173811 /nfs/dbraw/zinc/17/38/11/1286173811.db2.gz KXWHYHQIYPNZMV-NSHDSACASA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC001593484869 1286173814 /nfs/dbraw/zinc/17/38/14/1286173814.db2.gz KXWHYHQIYPNZMV-NSHDSACASA-N 0 3 360.378 0.835 20 5 FCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC001593484869 1286173819 /nfs/dbraw/zinc/17/38/19/1286173819.db2.gz KXWHYHQIYPNZMV-NSHDSACASA-N 0 3 360.378 0.835 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001600304806 1286475391 /nfs/dbraw/zinc/47/53/91/1286475391.db2.gz MZVMGXHUOKNCFP-CQSZACIVSA-N 0 3 350.375 0.980 20 5 FCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001600304806 1286475398 /nfs/dbraw/zinc/47/53/98/1286475398.db2.gz MZVMGXHUOKNCFP-CQSZACIVSA-N 0 3 350.375 0.980 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001607080801 1288652084 /nfs/dbraw/zinc/65/20/84/1288652084.db2.gz PHKPFXISSVKLAU-CYBMUJFWSA-N 0 3 374.405 0.907 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001607080801 1288652089 /nfs/dbraw/zinc/65/20/89/1288652089.db2.gz PHKPFXISSVKLAU-CYBMUJFWSA-N 0 3 374.405 0.907 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689326616 1294752794 /nfs/dbraw/zinc/75/27/94/1294752794.db2.gz VPIUINJEADYVAU-CDJBXZAQSA-N 0 3 366.443 0.877 20 5 FCBDHN Cc1conc1CN(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366087 843911054 /nfs/dbraw/zinc/91/10/54/843911054.db2.gz WJGOZNBEARZRQJ-UKRRQHHQSA-N 0 3 352.391 0.434 20 5 FCBDHN CCOC(=O)[C@H]1CNCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001118260522 847350846 /nfs/dbraw/zinc/35/08/46/847350846.db2.gz BVCPNPYUMWFNHY-CQSZACIVSA-N 0 3 350.375 0.760 20 5 FCBDHN CCCCc1nnc(NC(=O)CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936448 848713616 /nfs/dbraw/zinc/71/36/16/848713616.db2.gz IODYRNKIMAKEKB-NXEZZACHSA-N 0 3 370.435 0.190 20 5 FCBDHN CC/C=C/CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131353951 849096697 /nfs/dbraw/zinc/09/66/97/849096697.db2.gz JYVVMIZEDOJZIR-LRPXVYOUSA-N 0 3 352.435 0.658 20 5 FCBDHN CN(CCO)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001155251425 849841863 /nfs/dbraw/zinc/84/18/63/849841863.db2.gz NJQONXOLGMVQSM-UHFFFAOYSA-N 0 3 358.782 0.018 20 5 FCBDHN CC(C)n1ncnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490760 850413817 /nfs/dbraw/zinc/41/38/17/850413817.db2.gz VDMZFGMOIXORGV-CHWSQXEVSA-N 0 3 350.423 0.900 20 5 FCBDHN CC(C)n1nnnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490982 850414023 /nfs/dbraw/zinc/41/40/23/850414023.db2.gz VWXHISVWDRBJCZ-VXGBXAGGSA-N 0 3 351.411 0.295 20 5 FCBDHN CCOC(=O)CNC(=O)CN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307899 850649971 /nfs/dbraw/zinc/64/99/71/850649971.db2.gz JZZHRDDAUWEHNP-LLVKDONJSA-N 0 3 353.375 0.803 20 5 FCBDHN CCOC(=O)COc1ncc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569371 850659168 /nfs/dbraw/zinc/65/91/68/850659168.db2.gz RJFSTHBJDSVDGJ-ZWNOBZJWSA-N 0 3 354.363 0.721 20 5 FCBDHN CCC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223113788 856895618 /nfs/dbraw/zinc/89/56/18/856895618.db2.gz CAAQGEKQHZEYAU-ZIAGYGMSSA-N 0 3 354.451 0.785 20 5 FCBDHN CCCN(CCC)C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227252957 857152909 /nfs/dbraw/zinc/15/29/09/857152909.db2.gz UDBOPQBMPXCWQC-HUUCEWRRSA-N 0 3 354.451 0.881 20 5 FCBDHN CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001231091688 857355670 /nfs/dbraw/zinc/35/56/70/857355670.db2.gz ZDBACHYCTUMZCQ-SECBINFHSA-O 0 3 361.802 0.980 20 5 FCBDHN CNC(=O)CN1CCC([NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC001308197455 866708111 /nfs/dbraw/zinc/70/81/11/866708111.db2.gz NCTMBUOCCNVFLM-UHFFFAOYSA-N 0 3 352.391 0.609 20 5 FCBDHN COC(=O)[C@@](C)([N-]S(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001309742841 866878393 /nfs/dbraw/zinc/87/83/93/866878393.db2.gz ULJBTNCRDMSZRC-HNNXBMFYSA-N 0 3 373.431 0.854 20 5 FCBDHN CN1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC001344031222 870711538 /nfs/dbraw/zinc/71/15/38/870711538.db2.gz KPQRHJLZLUCGPJ-UHFFFAOYSA-N 0 3 351.382 0.636 20 5 FCBDHN CN1CCN(CC2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001330832702 872834672 /nfs/dbraw/zinc/83/46/72/872834672.db2.gz SUWWHLGBXKKHTD-UHFFFAOYSA-N 0 3 350.423 0.232 20 5 FCBDHN C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+](C)C ZINC000292460851 214102009 /nfs/dbraw/zinc/10/20/09/214102009.db2.gz AHWIKPXAAMHQHC-SNVBAGLBSA-N 0 3 359.404 0.842 20 5 FCBDHN CC(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000294487052 214248373 /nfs/dbraw/zinc/24/83/73/214248373.db2.gz JCNNGZBDYTUHST-LLVKDONJSA-N 0 3 369.399 0.312 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000295633322 214310403 /nfs/dbraw/zinc/31/04/03/214310403.db2.gz ZLJWUWVFSMWCCI-CQSZACIVSA-N 0 3 364.402 0.288 20 5 FCBDHN C[C@@H](NC1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296346897 214345105 /nfs/dbraw/zinc/34/51/05/214345105.db2.gz IULTUWADHQPGAK-SNVBAGLBSA-N 0 3 356.404 0.130 20 5 FCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265350299 210104442 /nfs/dbraw/zinc/10/44/42/210104442.db2.gz XFCSUUOURMVJOO-GFCCVEGCSA-N 0 3 374.397 0.991 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285707914 213381533 /nfs/dbraw/zinc/38/15/33/213381533.db2.gz IFSWLDOVKRLVEB-KBPBESRZSA-N 0 3 359.386 0.931 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362932101 215456193 /nfs/dbraw/zinc/45/61/93/215456193.db2.gz NNVRWGAHTHYCTI-KGLIPLIRSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC1 ZINC000246285319 209383639 /nfs/dbraw/zinc/38/36/39/209383639.db2.gz NYVJHROPGDIRDF-KCXAZCMYSA-N 0 3 363.418 0.628 20 5 FCBDHN Cc1cc(=O)c(C(=O)N[C@H](CN)C2CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000237660134 209355577 /nfs/dbraw/zinc/35/55/77/209355577.db2.gz XROKUCVSLFVXLY-GFCCVEGCSA-N 0 3 357.370 0.916 20 5 FCBDHN CN1CCC([NH+]2CCC(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000193495278 209312781 /nfs/dbraw/zinc/31/27/81/209312781.db2.gz CYYOBEJUFDTWBW-UHFFFAOYSA-N 0 3 363.418 0.984 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000277537491 212371989 /nfs/dbraw/zinc/37/19/89/212371989.db2.gz WHUYIZCRXFSVMY-VHSXEESVSA-N 0 3 356.404 0.373 20 5 FCBDHN C[C@@H](CO)N1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500309 217274103 /nfs/dbraw/zinc/27/41/03/217274103.db2.gz XPQPULHYMVMNDQ-HOCLYGCPSA-N 0 3 353.419 0.723 20 5 FCBDHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000423504556 247039997 /nfs/dbraw/zinc/03/99/97/247039997.db2.gz NMKZONVDHZAURU-QWRGUYRKSA-N 0 3 356.404 0.082 20 5 FCBDHN [NH3+][C@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000423601500 247071446 /nfs/dbraw/zinc/07/14/46/247071446.db2.gz ZNDLSEBUOUPYPJ-WDEREUQCSA-N 0 3 356.404 0.259 20 5 FCBDHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000423606483 247072796 /nfs/dbraw/zinc/07/27/96/247072796.db2.gz KJOMSHYMJNCVAL-MNOVXSKESA-N 0 3 356.404 0.082 20 5 FCBDHN Cn1cc([C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]2N)cn1 ZINC000424290134 247195244 /nfs/dbraw/zinc/19/52/44/247195244.db2.gz KRWUXBAFNYKURE-JKSUJKDBSA-N 0 3 370.413 0.644 20 5 FCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424392595 247205531 /nfs/dbraw/zinc/20/55/31/247205531.db2.gz PPWCRBULFHQULC-QWHCGFSZSA-N 0 3 365.415 0.752 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000452346527 249309864 /nfs/dbraw/zinc/30/98/64/249309864.db2.gz GTRJCWAVWWBQFR-OAHLLOKOSA-N 0 3 364.402 0.288 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453803792 249370090 /nfs/dbraw/zinc/37/00/90/249370090.db2.gz GHGRGOXRBDMLTB-CQSZACIVSA-N 0 3 364.402 0.805 20 5 FCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472570914 250162958 /nfs/dbraw/zinc/16/29/58/250162958.db2.gz QPBQFGWYLRKQPZ-UHFFFAOYSA-N 0 3 367.381 0.426 20 5 FCBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCOCC1 ZINC000472607471 250165851 /nfs/dbraw/zinc/16/58/51/250165851.db2.gz HXZOTPURYXKGEK-UHFFFAOYSA-N 0 3 368.365 0.899 20 5 FCBDHN COc1cc(C(=O)N2CCN(CCN(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000266082281 210279754 /nfs/dbraw/zinc/27/97/54/210279754.db2.gz NPYTZPFAWHHPOD-UHFFFAOYSA-N 0 3 366.418 0.931 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178477138 209049410 /nfs/dbraw/zinc/04/94/10/209049410.db2.gz VXMPKRGPMJQJPK-NVXWUHKLSA-N 0 3 365.430 0.989 20 5 FCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161736218 229200205 /nfs/dbraw/zinc/20/02/05/229200205.db2.gz XWAXGIBNXXOPLQ-CQSZACIVSA-N 0 3 354.411 0.544 20 5 FCBDHN CN1CCN(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000302721387 488891089 /nfs/dbraw/zinc/89/10/89/488891089.db2.gz ZLRMZDAMKFAXKR-UHFFFAOYSA-N 0 3 363.418 0.078 20 5 FCBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000278740457 488892939 /nfs/dbraw/zinc/89/29/39/488892939.db2.gz RSOWDGQMTJGPNK-CYBMUJFWSA-N 0 3 366.422 0.686 20 5 FCBDHN COC(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000061211520 488294405 /nfs/dbraw/zinc/29/44/05/488294405.db2.gz ZWGRDFIRCGMKRB-UHFFFAOYSA-N 0 3 364.402 0.749 20 5 FCBDHN C[C@@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000063769288 488308228 /nfs/dbraw/zinc/30/82/28/488308228.db2.gz XGSAUSPWKYPFPO-JTQLQIEISA-N 0 3 373.435 0.111 20 5 FCBDHN CC[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000268824266 488452118 /nfs/dbraw/zinc/45/21/18/488452118.db2.gz ILLAIKPSANGZJV-CYBMUJFWSA-N 0 3 358.420 0.330 20 5 FCBDHN CCCC(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247493065 488486407 /nfs/dbraw/zinc/48/64/07/488486407.db2.gz LCZJDDGYYZCAFT-UKRRQHHQSA-N 0 3 353.423 0.781 20 5 FCBDHN O=C(NCC1CC1)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247511531 488487033 /nfs/dbraw/zinc/48/70/33/488487033.db2.gz MNSJLAQZXSUTFB-UKRRQHHQSA-N 0 3 351.407 0.390 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488563 488497728 /nfs/dbraw/zinc/49/77/28/488497728.db2.gz QLEFLDSNSWAOAZ-ZDUSSCGKSA-N 0 3 352.439 0.669 20 5 FCBDHN CS[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000271599356 488529828 /nfs/dbraw/zinc/52/98/28/488529828.db2.gz HYILIAJWOMQRQF-CHWSQXEVSA-N 0 3 360.461 0.724 20 5 FCBDHN CC[C@H](C)[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262154813 488553998 /nfs/dbraw/zinc/55/39/98/488553998.db2.gz SLTVRFHKEVAFAQ-GWCFXTLKSA-N 0 3 358.420 0.363 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262247668 488559746 /nfs/dbraw/zinc/55/97/46/488559746.db2.gz WPHHABZMUCLQNB-INIZCTEOSA-N 0 3 363.418 0.343 20 5 FCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000262408775 488568938 /nfs/dbraw/zinc/56/89/38/488568938.db2.gz CMSVUQPKGPRGQP-CYBMUJFWSA-N 0 3 356.404 0.131 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272402871 488578521 /nfs/dbraw/zinc/57/85/21/488578521.db2.gz YHXYOZNCMCGVJT-UHFFFAOYSA-N 0 3 350.375 0.691 20 5 FCBDHN CC(C)(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262619604 488582005 /nfs/dbraw/zinc/58/20/05/488582005.db2.gz ODSBEHINOVNNOY-GFCCVEGCSA-N 0 3 358.420 0.363 20 5 FCBDHN CC(C)(C)[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262625698 488582909 /nfs/dbraw/zinc/58/29/09/488582909.db2.gz KTEAIPOUZVOOJO-CYBMUJFWSA-N 0 3 372.447 0.900 20 5 FCBDHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262761261 488590927 /nfs/dbraw/zinc/59/09/27/488590927.db2.gz FYFOAHNWPZWHDV-ZJUUUORDSA-N 0 3 357.388 0.785 20 5 FCBDHN COc1c(S(=O)(=O)[N-]CC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262771419 488592029 /nfs/dbraw/zinc/59/20/29/488592029.db2.gz MHBRLASXQLDURZ-UHFFFAOYSA-N 0 3 368.209 0.911 20 5 FCBDHN C[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272616300 488592669 /nfs/dbraw/zinc/59/26/69/488592669.db2.gz TXRVEKHHBVIHSN-UWVGGRQHSA-N 0 3 352.416 0.995 20 5 FCBDHN CCN(CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000263747943 488624199 /nfs/dbraw/zinc/62/41/99/488624199.db2.gz PKPIZJGWUCJFKG-UHFFFAOYSA-N 0 3 364.402 0.934 20 5 FCBDHN COCCCN(C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000273115087 488632657 /nfs/dbraw/zinc/63/26/57/488632657.db2.gz XEOANNXBJQNDKF-UHFFFAOYSA-N 0 3 366.418 0.718 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131747491 488648355 /nfs/dbraw/zinc/64/83/55/488648355.db2.gz DEJFSBRHSSORST-UKRRQHHQSA-N 0 3 354.407 0.670 20 5 FCBDHN CN(C)CCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000132435123 488653711 /nfs/dbraw/zinc/65/37/11/488653711.db2.gz ZHBAEKWWPPHPDM-UHFFFAOYSA-N 0 3 353.427 0.117 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000274296551 488696565 /nfs/dbraw/zinc/69/65/65/488696565.db2.gz SKDNBSVZNVJAPH-UHFFFAOYSA-N 0 3 364.402 0.723 20 5 FCBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154451978 488743656 /nfs/dbraw/zinc/74/36/56/488743656.db2.gz BGLQWLMXIPEMKX-OAHLLOKOSA-N 0 3 357.432 0.984 20 5 FCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000154532398 488744230 /nfs/dbraw/zinc/74/42/30/488744230.db2.gz PVJNNEPDDUDLOB-UHFFFAOYSA-N 0 3 357.432 0.719 20 5 FCBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000267117754 488762720 /nfs/dbraw/zinc/76/27/20/488762720.db2.gz ZVCPVAUWFWPFHN-UHFFFAOYSA-N 0 3 372.447 0.614 20 5 FCBDHN Cn1cc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176477 491222114 /nfs/dbraw/zinc/22/21/14/491222114.db2.gz OYFRWCLNFFHHKV-JKSUJKDBSA-N 0 3 370.413 0.739 20 5 FCBDHN CN(C)CCN1C[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000278118121 488800995 /nfs/dbraw/zinc/80/09/95/488800995.db2.gz LMALJXYQTWLTIU-LLVKDONJSA-N 0 3 374.401 0.497 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000171607962 488824398 /nfs/dbraw/zinc/82/43/98/488824398.db2.gz DYWRIRKMLLMAHW-UHFFFAOYSA-N 0 3 363.418 0.684 20 5 FCBDHN CC[N@H+](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000280718438 489026753 /nfs/dbraw/zinc/02/67/53/489026753.db2.gz HCCJSZUUCPVBSE-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CC[N@@H+](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000280718438 489026755 /nfs/dbraw/zinc/02/67/55/489026755.db2.gz HCCJSZUUCPVBSE-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CCOC(=O)[C@@]1(COC)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501740 489080577 /nfs/dbraw/zinc/08/05/77/489080577.db2.gz UJNCLHOBSBPOGK-HOCLYGCPSA-N 0 3 370.406 0.444 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588886 489090935 /nfs/dbraw/zinc/09/09/35/489090935.db2.gz NDQLPONVOAAXCJ-QWRGUYRKSA-N 0 3 356.404 0.517 20 5 FCBDHN CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290013262 489108439 /nfs/dbraw/zinc/10/84/39/489108439.db2.gz QMBOWLRVNIJLNN-RYUDHWBXSA-N 0 3 370.431 0.377 20 5 FCBDHN CCN1CCN(C[C@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290603724 489152741 /nfs/dbraw/zinc/15/27/41/489152741.db2.gz ZGWXXLGNAVTIPY-GFCCVEGCSA-N 0 3 350.423 0.774 20 5 FCBDHN O=C1CCCN1C[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369826300 489279671 /nfs/dbraw/zinc/27/96/71/489279671.db2.gz SSOLELOUVXQSCI-DZGCQCFKSA-N 0 3 351.407 0.629 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(N3CCOCC3)c2)c1 ZINC000570509571 491245924 /nfs/dbraw/zinc/24/59/24/491245924.db2.gz FGOCDHVOCJLFNR-QGZVFWFLSA-N 0 3 361.402 0.779 20 5 FCBDHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCN(C)CC1 ZINC000298205012 489303696 /nfs/dbraw/zinc/30/36/96/489303696.db2.gz MDAYJGCLJIHILB-UHFFFAOYSA-N 0 3 360.370 0.743 20 5 FCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000370357348 489349059 /nfs/dbraw/zinc/34/90/59/489349059.db2.gz KPRZKBRGEZLKIU-BFYDXBDKSA-N 0 3 365.430 0.866 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359655 489480493 /nfs/dbraw/zinc/48/04/93/489480493.db2.gz KXGVFVVGOAYYDY-OCCSQVGLSA-N 0 3 364.450 0.978 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359655 489480494 /nfs/dbraw/zinc/48/04/94/489480494.db2.gz KXGVFVVGOAYYDY-OCCSQVGLSA-N 0 3 364.450 0.978 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N(C)C2CNC2)c(C)c([N+](=O)[O-])c1 ZINC000415744452 489549644 /nfs/dbraw/zinc/54/96/44/489549644.db2.gz PAHNRDTUEVWBAV-UHFFFAOYSA-N 0 3 350.331 0.059 20 5 FCBDHN CNc1nc(C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000456071602 489606197 /nfs/dbraw/zinc/60/61/97/489606197.db2.gz RPTKHFLYNQGMNJ-UHFFFAOYSA-N 0 3 350.423 0.787 20 5 FCBDHN C[C@H](CCC[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417686342 489660721 /nfs/dbraw/zinc/66/07/21/489660721.db2.gz ZVHWFYOOTSNVMD-LLVKDONJSA-N 0 3 373.435 0.300 20 5 FCBDHN [NH3+]C1(CNC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000417689883 489661778 /nfs/dbraw/zinc/66/17/78/489661778.db2.gz HDMYNQYQTREOSK-UHFFFAOYSA-N 0 3 371.419 0.054 20 5 FCBDHN CC(C)[C@@H]([NH3+])CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689240 489661793 /nfs/dbraw/zinc/66/17/93/489661793.db2.gz FSYMJZZICNEMAF-NSHDSACASA-N 0 3 373.435 0.156 20 5 FCBDHN [NH3+]CC1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000430393606 489735594 /nfs/dbraw/zinc/73/55/94/489735594.db2.gz MIRAVZGQAMPPGL-UHFFFAOYSA-N 0 3 370.431 0.508 20 5 FCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCNS(=O)(=O)N(C)C ZINC000459539112 489737892 /nfs/dbraw/zinc/73/78/92/489737892.db2.gz PIXMPROOBLFEIT-LLVKDONJSA-N 0 3 373.435 0.298 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000474364979 489757025 /nfs/dbraw/zinc/75/70/25/489757025.db2.gz DXLQWWKWLPARHQ-GFCCVEGCSA-N 0 3 372.399 0.671 20 5 FCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000490632857 489778199 /nfs/dbraw/zinc/77/81/99/489778199.db2.gz YZXDUVTXBHBTMY-RDJZCZTQSA-N 0 3 363.462 0.714 20 5 FCBDHN CN1CCC(O)(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000474977271 489797783 /nfs/dbraw/zinc/79/77/83/489797783.db2.gz RZSJOXWEXBPOPK-UHFFFAOYSA-N 0 3 365.386 0.481 20 5 FCBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420201810 489949824 /nfs/dbraw/zinc/94/98/24/489949824.db2.gz OTNBWRZZQHNKOJ-AWEZNQCLSA-N 0 3 362.386 0.190 20 5 FCBDHN CC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000420456341 489980458 /nfs/dbraw/zinc/98/04/58/489980458.db2.gz ZWMYWLVSFKEMGJ-UHFFFAOYSA-N 0 3 357.388 0.786 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@]2(F)CCNC2)c([N+](=O)[O-])c1 ZINC000378208033 490028912 /nfs/dbraw/zinc/02/89/12/490028912.db2.gz LHCZKIDMRFOJCZ-CQSZACIVSA-N 0 3 374.394 0.228 20 5 FCBDHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321715 490048977 /nfs/dbraw/zinc/04/89/77/490048977.db2.gz UKAAVDUVLWBCRF-DZGCQCFKSA-N 0 3 360.418 0.393 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000545155488 490084596 /nfs/dbraw/zinc/08/45/96/490084596.db2.gz UUBAKAQKBFSWPD-KRWDZBQOSA-N 0 3 360.370 0.705 20 5 FCBDHN COCCN(C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465179320 490090971 /nfs/dbraw/zinc/09/09/71/490090971.db2.gz WSZOTPMHUDHWEH-UHFFFAOYSA-N 0 3 353.375 0.603 20 5 FCBDHN CC(C)C[C@](C)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000519821700 490091250 /nfs/dbraw/zinc/09/12/50/490091250.db2.gz DLVPQCFWGQCSLY-OAHLLOKOSA-N 0 3 372.447 0.753 20 5 FCBDHN CN(CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000533140014 490183349 /nfs/dbraw/zinc/18/33/49/490183349.db2.gz CKSNECKNAULNGL-CYBMUJFWSA-N 0 3 373.369 0.380 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000521402381 490256720 /nfs/dbraw/zinc/25/67/20/490256720.db2.gz CIXFPOOKJXVHKW-UHFFFAOYSA-N 0 3 351.407 0.560 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])s1 ZINC000533933789 490301194 /nfs/dbraw/zinc/30/11/94/490301194.db2.gz WFGSHANPHYBBRN-UHFFFAOYSA-N 0 3 356.448 0.776 20 5 FCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712476 490333198 /nfs/dbraw/zinc/33/31/98/490333198.db2.gz ZQWOIDKGYQCYAO-FZMZJTMJSA-N 0 3 374.397 0.919 20 5 FCBDHN COC(=O)c1cc(C(=O)NC2(CCO)CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000499124704 490391235 /nfs/dbraw/zinc/39/12/35/490391235.db2.gz BIVBGAOWQBFVTH-UHFFFAOYSA-N 0 3 365.386 0.958 20 5 FCBDHN O=C(N[C@H]1CNCCC1(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449671032 490420959 /nfs/dbraw/zinc/42/09/59/490420959.db2.gz YTRDEPSGAVZVKF-LBPRGKRZSA-N 0 3 352.301 0.903 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000411420465 490454346 /nfs/dbraw/zinc/45/43/46/490454346.db2.gz JLZRAZYRUFTXBA-UHFFFAOYSA-N 0 3 352.391 0.845 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000571776731 491328281 /nfs/dbraw/zinc/32/82/81/491328281.db2.gz KIMBKDRBDRGFMQ-GHMZBOCLSA-N 0 3 367.793 0.431 20 5 FCBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCc2ccccc21 ZINC000564847068 491330817 /nfs/dbraw/zinc/33/08/17/491330817.db2.gz XIWXNUOIIWTLIZ-HNNXBMFYSA-N 0 3 359.386 0.721 20 5 FCBDHN CCCC[C@@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422900865 490493030 /nfs/dbraw/zinc/49/30/30/490493030.db2.gz KEDATDLNOUMZLC-NSHDSACASA-N 0 3 358.420 0.507 20 5 FCBDHN CN(CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000485600549 490547850 /nfs/dbraw/zinc/54/78/50/490547850.db2.gz MPXKMAMDTCEYPX-UHFFFAOYSA-N 0 3 364.406 0.165 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000524653341 490548507 /nfs/dbraw/zinc/54/85/07/490548507.db2.gz UNEKDYZEOPBTEX-UHFFFAOYSA-N 0 3 363.378 0.060 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556849765 491341072 /nfs/dbraw/zinc/34/10/72/491341072.db2.gz AUCKERIJWQLIAG-SFHVURJKSA-N 0 3 371.397 0.967 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000564976723 491342564 /nfs/dbraw/zinc/34/25/64/491342564.db2.gz WDNUBJNIUCVJRH-WFASDCNBSA-N 0 3 358.416 0.746 20 5 FCBDHN CN(C)CCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000526075395 490673666 /nfs/dbraw/zinc/67/36/66/490673666.db2.gz KKKKEDLOTRXGRY-UHFFFAOYSA-N 0 3 366.422 0.400 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000527329684 490717188 /nfs/dbraw/zinc/71/71/88/490717188.db2.gz ZHNKOTDUMCZGHU-LLVKDONJSA-N 0 3 350.375 1.000 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000502920412 490729768 /nfs/dbraw/zinc/72/97/68/490729768.db2.gz PXEWDYYIMKEWEA-OAHLLOKOSA-N 0 3 372.809 0.407 20 5 FCBDHN CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000502920411 490730013 /nfs/dbraw/zinc/73/00/13/490730013.db2.gz PXEWDYYIMKEWEA-HNNXBMFYSA-N 0 3 372.809 0.407 20 5 FCBDHN CN(CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000503152845 490740979 /nfs/dbraw/zinc/74/09/79/490740979.db2.gz PKYJQDDCASDUGP-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CC[C@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000513752872 490745866 /nfs/dbraw/zinc/74/58/66/490745866.db2.gz ZBFDYXHRWVKHSG-CYBMUJFWSA-N 0 3 372.447 0.867 20 5 FCBDHN O=C(NCC1CCN(CCO)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488107731 490746122 /nfs/dbraw/zinc/74/61/22/490746122.db2.gz HAHQQSKWNAEKBK-UHFFFAOYSA-N 0 3 351.359 0.758 20 5 FCBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000488391941 490758498 /nfs/dbraw/zinc/75/84/98/490758498.db2.gz WWVCYQJVFSGOSO-ZDUSSCGKSA-N 0 3 372.447 0.747 20 5 FCBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000516938231 490885965 /nfs/dbraw/zinc/88/59/65/490885965.db2.gz LRBKWSGCDIZUBQ-SCZZXKLOSA-N 0 3 374.806 0.181 20 5 FCBDHN CC1(C)C(=O)N[C@@H]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517069051 490893948 /nfs/dbraw/zinc/89/39/48/490893948.db2.gz TWWWHHMSRJKKPK-ZIAGYGMSSA-N 0 3 351.407 0.389 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000530567209 490913115 /nfs/dbraw/zinc/91/31/15/490913115.db2.gz ISBIWYIQXFJNKQ-NSHDSACASA-N 0 3 350.375 1.000 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000518294894 490936207 /nfs/dbraw/zinc/93/62/07/490936207.db2.gz LYAMMSVKUBHTLY-UHFFFAOYSA-N 0 3 366.422 0.240 20 5 FCBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000543700959 490942438 /nfs/dbraw/zinc/94/24/38/490942438.db2.gz SQJQWTNTWIIGGB-UHFFFAOYSA-N 0 3 367.406 0.918 20 5 FCBDHN C[NH2+]C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000572643190 491384029 /nfs/dbraw/zinc/38/40/29/491384029.db2.gz MNKSMYXTPDOPCU-LBPRGKRZSA-N 0 3 370.431 0.331 20 5 FCBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000573322672 491426267 /nfs/dbraw/zinc/42/62/67/491426267.db2.gz XPZKARAMDCBIIE-UHFFFAOYSA-N 0 3 374.405 0.953 20 5 FCBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000573684836 491448478 /nfs/dbraw/zinc/44/84/78/491448478.db2.gz PAJCQVPYVYSWRU-UHFFFAOYSA-N 0 3 356.404 0.084 20 5 FCBDHN C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566856313 491471917 /nfs/dbraw/zinc/47/19/17/491471917.db2.gz WHRNFFJFBAIOFW-VXGBXAGGSA-N 0 3 370.431 0.601 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000567167767 491490002 /nfs/dbraw/zinc/49/00/02/491490002.db2.gz LHZRHYVOPKJDHT-GFCCVEGCSA-N 0 3 370.431 0.522 20 5 FCBDHN CCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000574771438 491519278 /nfs/dbraw/zinc/51/92/78/491519278.db2.gz WJGWMKQTSJLKOI-YPMHNXCESA-N 0 3 368.415 0.090 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CCN2C1=O ZINC000575882162 491567762 /nfs/dbraw/zinc/56/77/62/491567762.db2.gz KZLUOLLNDWPYLN-CHWSQXEVSA-N 0 3 358.358 0.389 20 5 FCBDHN CCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413129 491575452 /nfs/dbraw/zinc/57/54/52/491575452.db2.gz VKCAPKBDGBHNMV-XJKSGUPXSA-N 0 3 350.375 0.674 20 5 FCBDHN COc1cc(OCC(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000569000516 491625885 /nfs/dbraw/zinc/62/58/85/491625885.db2.gz NVEZDWDFYQEBFW-KRWDZBQOSA-N 0 3 365.386 0.555 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569356564 491655419 /nfs/dbraw/zinc/65/54/19/491655419.db2.gz GAJCPCJGQVCTHL-CHWSQXEVSA-N 0 3 368.415 0.090 20 5 FCBDHN CCc1n[nH]c(C(=O)NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000562183287 491657936 /nfs/dbraw/zinc/65/79/36/491657936.db2.gz YMARUIBARGCRBE-UHFFFAOYSA-N 0 3 366.422 0.602 20 5 FCBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000578979992 491688209 /nfs/dbraw/zinc/68/82/09/491688209.db2.gz NZYQWCZXLDSAMK-HOTGVXAUSA-N 0 3 359.386 0.543 20 5 FCBDHN C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000579355319 491696167 /nfs/dbraw/zinc/69/61/67/491696167.db2.gz FFMQVFKVCXZFSN-QWRGUYRKSA-N 0 3 356.404 0.069 20 5 FCBDHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000579355317 491696170 /nfs/dbraw/zinc/69/61/70/491696170.db2.gz FFMQVFKVCXZFSN-GHMZBOCLSA-N 0 3 356.404 0.069 20 5 FCBDHN CC(C)Nc1nc(NCCO)nc(N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000579738978 491704688 /nfs/dbraw/zinc/70/46/88/491704688.db2.gz BDXGHIQSDDHSFN-UHFFFAOYSA-N 0 3 361.406 0.485 20 5 FCBDHN CS(=O)(=O)C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCNCC1 ZINC000579960446 491711201 /nfs/dbraw/zinc/71/12/01/491711201.db2.gz SHSNOVGTFUBEAQ-UHFFFAOYSA-N 0 3 371.415 0.257 20 5 FCBDHN CC(C)NCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000580466903 491732824 /nfs/dbraw/zinc/73/28/24/491732824.db2.gz QWSZEWUXXRKPQW-UHFFFAOYSA-N 0 3 358.420 0.524 20 5 FCBDHN C[C@H]1COCCN1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581175 491737022 /nfs/dbraw/zinc/73/70/22/491737022.db2.gz JVOMRIZTNZNPHW-AWEZNQCLSA-N 0 3 350.419 0.942 20 5 FCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000588882371 491751061 /nfs/dbraw/zinc/75/10/61/491751061.db2.gz XTMXYIBAZCZXKF-LLVKDONJSA-N 0 3 354.363 0.097 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000590776528 491786399 /nfs/dbraw/zinc/78/63/99/491786399.db2.gz SGKQISVHCNDFDS-RWMBFGLXSA-N 0 3 350.423 0.990 20 5 FCBDHN C[S@@](=O)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767540 491823354 /nfs/dbraw/zinc/82/33/54/491823354.db2.gz PWGAWVYPOVWNLG-OYLFLEFRSA-N 0 3 352.416 0.821 20 5 FCBDHN C[C@H]1CC[N@H+](CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583793152 491852043 /nfs/dbraw/zinc/85/20/43/491852043.db2.gz CFANPPWEHFYOOJ-LBPRGKRZSA-N 0 3 370.431 0.331 20 5 FCBDHN C[C@H]1CC[N@@H+](CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000583793152 491852044 /nfs/dbraw/zinc/85/20/44/491852044.db2.gz CFANPPWEHFYOOJ-LBPRGKRZSA-N 0 3 370.431 0.331 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccnc2N2CCOCC2)c1 ZINC000584226586 491861113 /nfs/dbraw/zinc/86/11/13/491861113.db2.gz AFOVSLAAHBEWQR-HNNXBMFYSA-N 0 3 362.390 0.174 20 5 FCBDHN CN(C)CCCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601302014 491902667 /nfs/dbraw/zinc/90/26/67/491902667.db2.gz CDNMMVMEXMWBLV-UHFFFAOYSA-N 0 3 357.436 0.393 20 5 FCBDHN CC[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595268663 491909564 /nfs/dbraw/zinc/90/95/64/491909564.db2.gz LJQCHAAPHUURKA-ILXRZTDVSA-N 0 3 361.402 0.999 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(N)=O)CCOCC1 ZINC000595728070 491950520 /nfs/dbraw/zinc/95/05/20/491950520.db2.gz IPJCIBNPIYGTFF-UHFFFAOYSA-N 0 3 350.375 0.856 20 5 FCBDHN Cc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000595988470 491969246 /nfs/dbraw/zinc/96/92/46/491969246.db2.gz GSWMAWFMPMUZTA-GHMZBOCLSA-N 0 3 360.367 0.062 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597204150 492022138 /nfs/dbraw/zinc/02/21/38/492022138.db2.gz FRZPTJZYAHHNQJ-UHFFFAOYSA-N 0 3 366.418 0.818 20 5 FCBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000597654122 492056775 /nfs/dbraw/zinc/05/67/75/492056775.db2.gz OKHUFMAGOUHWGE-NSHDSACASA-N 0 3 357.432 0.986 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000597652691 492056936 /nfs/dbraw/zinc/05/69/36/492056936.db2.gz DWNFELBYKDHREN-OAHLLOKOSA-N 0 3 361.402 0.800 20 5 FCBDHN COc1c(C(=O)N(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000598187838 492088405 /nfs/dbraw/zinc/08/84/05/492088405.db2.gz WQQPGEZYPICANO-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000598342570 492095616 /nfs/dbraw/zinc/09/56/16/492095616.db2.gz KZTJKZNSBRWWHH-GFCCVEGCSA-N 0 3 362.386 0.921 20 5 FCBDHN CS[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000598608037 492108346 /nfs/dbraw/zinc/10/83/46/492108346.db2.gz PYYHRRHBGOGZFA-VXGBXAGGSA-N 0 3 368.463 0.703 20 5 FCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000599101853 492135256 /nfs/dbraw/zinc/13/52/56/492135256.db2.gz IUSYVTVNNFYGMB-UHFFFAOYSA-N 0 3 373.387 0.152 20 5 FCBDHN COc1ccc(NC(=O)CCN2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000599530919 492183673 /nfs/dbraw/zinc/18/36/73/492183673.db2.gz CQDHRGRUQBZWEA-RYUDHWBXSA-N 0 3 353.375 0.465 20 5 FCBDHN NS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599647489 492196661 /nfs/dbraw/zinc/19/66/61/492196661.db2.gz PNNGVVZBVRRQAA-UHFFFAOYSA-N 0 3 371.419 0.181 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599708329 492200933 /nfs/dbraw/zinc/20/09/33/492200933.db2.gz JXPULSDSVHGOKA-MRXNPFEDSA-N 0 3 365.365 0.962 20 5 FCBDHN CN1CCC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609383407 492207446 /nfs/dbraw/zinc/20/74/46/492207446.db2.gz ZOVMJMWWAKUEKL-NSHDSACASA-N 0 3 360.370 0.649 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000610367543 492243499 /nfs/dbraw/zinc/24/34/99/492243499.db2.gz UJWLWPZDPSMLPY-HZPDHXFCSA-N 0 3 353.423 0.339 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611184892 492280847 /nfs/dbraw/zinc/28/08/47/492280847.db2.gz ADLSFBQPWLTSLF-INIZCTEOSA-N 0 3 350.419 0.943 20 5 FCBDHN CN(C(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424282969 535992896 /nfs/dbraw/zinc/99/28/96/535992896.db2.gz AGALVUZUACBFTG-JKSUJKDBSA-N 0 3 358.402 0.718 20 5 FCBDHN COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000443318724 536873907 /nfs/dbraw/zinc/87/39/07/536873907.db2.gz HEPYITRDEUTPPU-UHFFFAOYSA-N 0 3 373.431 0.586 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545862656 546887318 /nfs/dbraw/zinc/88/73/18/546887318.db2.gz QGWQFBRXZWDBLZ-NHYWBVRUSA-N 0 3 354.411 0.010 20 5 FCBDHN Cc1c(C(=O)N2CCNCC2(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592473460 546950737 /nfs/dbraw/zinc/95/07/37/546950737.db2.gz PLUXAUSGKIWAON-UHFFFAOYSA-N 0 3 356.404 0.375 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592491468 546951543 /nfs/dbraw/zinc/95/15/43/546951543.db2.gz KMQWFSQSTYYGCT-AWEZNQCLSA-N 0 3 350.375 0.395 20 5 FCBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1O ZINC000594359173 546997554 /nfs/dbraw/zinc/99/75/54/546997554.db2.gz SZJPXLHBFQJIHN-STQMWFEESA-N 0 3 355.416 0.426 20 5 FCBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000594295049 547370024 /nfs/dbraw/zinc/37/00/24/547370024.db2.gz KLAYZKYATGKOHW-LBPRGKRZSA-N 0 3 350.423 0.787 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954443975 674497577 /nfs/dbraw/zinc/49/75/77/674497577.db2.gz HLWAZQMRKVPQHZ-CHWSQXEVSA-N 0 3 366.443 0.758 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652220 606240023 /nfs/dbraw/zinc/24/00/23/606240023.db2.gz WZPHNGZDRBFZCT-CYBMUJFWSA-N 0 3 374.405 0.861 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652220 606240024 /nfs/dbraw/zinc/24/00/24/606240024.db2.gz WZPHNGZDRBFZCT-CYBMUJFWSA-N 0 3 374.405 0.861 20 5 FCBDHN Cc1csc(=O)n1CCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789073 667561312 /nfs/dbraw/zinc/56/13/12/667561312.db2.gz RYUHBDAPVSECCH-CHWSQXEVSA-N 0 3 354.432 0.464 20 5 FCBDHN CN(C)C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000763030355 667941361 /nfs/dbraw/zinc/94/13/61/667941361.db2.gz PUSSKRJNQNUCFR-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CNCCO2)c(C)c1[N+](=O)[O-] ZINC000842483966 670694535 /nfs/dbraw/zinc/69/45/35/670694535.db2.gz YSSKJJMPPLAAOY-SNVBAGLBSA-N 0 3 374.375 0.387 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848675166 671289031 /nfs/dbraw/zinc/28/90/31/671289031.db2.gz SPQWPJPQKRWBQS-SNVBAGLBSA-N 0 3 370.793 0.897 20 5 FCBDHN COc1nscc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048812129 675898249 /nfs/dbraw/zinc/89/82/49/675898249.db2.gz BMDLJFZWSFHQHT-LYIQGSDWSA-N 0 3 352.416 0.707 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccs1 ZINC001055507798 676021861 /nfs/dbraw/zinc/02/18/61/676021861.db2.gz WDEQAJNTJIJDSX-CHWSQXEVSA-N 0 3 366.443 0.724 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1nccs1 ZINC001055575047 676024605 /nfs/dbraw/zinc/02/46/05/676024605.db2.gz JGSJCQDPCVFDGT-VXGBXAGGSA-N 0 3 367.431 0.119 20 5 FCBDHN Cc1csc(=O)n1CCN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000675014 676058808 /nfs/dbraw/zinc/05/88/08/676058808.db2.gz PYEWOWJRYZYBLW-ZIAGYGMSSA-N 0 3 366.443 0.632 20 5 FCBDHN Cc1nnsc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516458 676085288 /nfs/dbraw/zinc/08/52/88/676085288.db2.gz BYJXNWKNQCWILR-VXGBXAGGSA-N 0 3 351.432 0.936 20 5 FCBDHN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn(-c2ccncc2)n1 ZINC000973252172 1182139628 /nfs/dbraw/zinc/13/96/28/1182139628.db2.gz GBLAMQMCOCSKAH-NLRBGTRBSA-N 0 3 370.369 0.310 20 5 FCBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCCC1 ZINC001025777409 1182823583 /nfs/dbraw/zinc/82/35/83/1182823583.db2.gz LXSRRZVSCZNVDY-GAGVYUBLSA-N 0 3 364.446 0.537 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn(-c2ccncc2)n1 ZINC000974114371 1183002276 /nfs/dbraw/zinc/00/22/76/1183002276.db2.gz GBLAMQMCOCSKAH-NDPMZMCLSA-N 0 3 370.369 0.310 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000979062033 1186049010 /nfs/dbraw/zinc/04/90/10/1186049010.db2.gz IMMRQMBMGYSCOH-DZGBDDFRSA-N 0 3 357.370 0.624 20 5 FCBDHN O=C(N[C@H]1C[C@H](CNCc2nc(-c3ccoc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983649672 1188247411 /nfs/dbraw/zinc/24/74/11/1188247411.db2.gz QCFHWDPFNDADOI-OJAKKHQRSA-N 0 3 361.358 0.979 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@]12CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223226 1206266592 /nfs/dbraw/zinc/26/65/92/1206266592.db2.gz AHHXUUVHHWMQNY-ACJLOTCBSA-N 0 3 360.414 0.949 20 5 FCBDHN O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872320586 1210191743 /nfs/dbraw/zinc/19/17/43/1210191743.db2.gz COUFYUALPADFFM-GASCZTMLSA-N 0 3 360.414 0.822 20 5 FCBDHN Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n[nH]1 ZINC000967349797 1215232762 /nfs/dbraw/zinc/23/27/62/1215232762.db2.gz SGVPULHMQGIXLM-QVHKTLOISA-N 0 3 361.402 0.694 20 5 FCBDHN CN1CCN(C2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000827457028 1216603639 /nfs/dbraw/zinc/60/36/39/1216603639.db2.gz UDWXLDLRBXFPQW-UHFFFAOYSA-N 0 3 364.450 0.765 20 5 FCBDHN Cc1nccn1CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067385403 1217389539 /nfs/dbraw/zinc/38/95/39/1217389539.db2.gz AEMYVFZSBAMTML-HUUCEWRRSA-N 0 3 365.434 0.944 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000725894496 1219619311 /nfs/dbraw/zinc/61/93/11/1219619311.db2.gz BQUITOQOAKWMPG-GJZGRUSLSA-N 0 3 359.386 0.924 20 5 FCBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001157971949 1223086080 /nfs/dbraw/zinc/08/60/80/1223086080.db2.gz WHBPIEBVJFCZIN-UHFFFAOYSA-N 0 3 367.381 0.648 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001329490335 1265767793 /nfs/dbraw/zinc/76/77/93/1265767793.db2.gz HBGWMMWOHJXJPT-ZDUSSCGKSA-N 0 3 361.358 0.982 20 5 FCBDHN Cc1cncn1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730382 1254133628 /nfs/dbraw/zinc/13/36/28/1254133628.db2.gz JOHXFJSWBZBACY-KBUPBQIOSA-N 0 3 363.418 0.648 20 5 FCBDHN COCCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079151944 1255461838 /nfs/dbraw/zinc/46/18/38/1255461838.db2.gz OXTXJUGMBFMNDG-HUUCEWRRSA-N 0 3 370.450 0.119 20 5 FCBDHN COCCCCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107168005 1259035302 /nfs/dbraw/zinc/03/53/02/1259035302.db2.gz PTUJTKNOKCNJPP-HUUCEWRRSA-N 0 3 366.422 0.233 20 5 FCBDHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304086626 1263128048 /nfs/dbraw/zinc/12/80/48/1263128048.db2.gz ZEEOCFJPYONPSG-GFCCVEGCSA-N 0 3 358.358 0.378 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319375274 1263685818 /nfs/dbraw/zinc/68/58/18/1263685818.db2.gz DHTFCDJILVITDQ-AWEZNQCLSA-N 0 3 365.434 0.146 20 5 FCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001321997807 1264127408 /nfs/dbraw/zinc/12/74/08/1264127408.db2.gz UQDGLEMKAVNUAL-HNNXBMFYSA-N 0 3 360.414 0.854 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001324900382 1264732713 /nfs/dbraw/zinc/73/27/13/1264732713.db2.gz DFERGZXQGZRMNL-CJNGLKHVSA-N 0 3 358.398 0.642 20 5 FCBDHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001325571449 1264931244 /nfs/dbraw/zinc/93/12/44/1264931244.db2.gz SSFQSGZXIVLCCN-UHFFFAOYSA-N 0 3 366.422 0.240 20 5 FCBDHN O=[N+]([O-])Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1CC1 ZINC001527128810 1266869828 /nfs/dbraw/zinc/86/98/28/1266869828.db2.gz CYOWRVQBLFUONY-AWEZNQCLSA-N 0 3 350.423 0.623 20 5 FCBDHN CC(C)[N@H+](CCOCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589692424 1282950000 /nfs/dbraw/zinc/95/00/00/1282950000.db2.gz GWEDKIJCZUTROB-UHFFFAOYSA-N 0 3 350.379 0.994 20 5 FCBDHN CC(C)[N@@H+](CCOCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589692424 1282950005 /nfs/dbraw/zinc/95/00/05/1282950005.db2.gz GWEDKIJCZUTROB-UHFFFAOYSA-N 0 3 350.379 0.994 20 5 FCBDHN CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589725213 1282963939 /nfs/dbraw/zinc/96/39/39/1282963939.db2.gz IEHGDLPLGWEPNL-UHFFFAOYSA-N 0 3 362.394 0.499 20 5 FCBDHN CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589725213 1282963947 /nfs/dbraw/zinc/96/39/47/1282963947.db2.gz IEHGDLPLGWEPNL-UHFFFAOYSA-N 0 3 362.394 0.499 20 5 FCBDHN C[NH+](C)CCOC1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591021136 1284076401 /nfs/dbraw/zinc/07/64/01/1284076401.db2.gz XULCELZMCHCSOT-UHFFFAOYSA-N 0 3 362.394 0.717 20 5 FCBDHN C[NH+](C)CCOC1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591021136 1284076404 /nfs/dbraw/zinc/07/64/04/1284076404.db2.gz XULCELZMCHCSOT-UHFFFAOYSA-N 0 3 362.394 0.717 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CCO2 ZINC001591181685 1284284118 /nfs/dbraw/zinc/28/41/18/1284284118.db2.gz CYIFZMZRIWPKPT-UHFFFAOYSA-N 0 3 360.378 0.471 20 5 FCBDHN C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CCO2 ZINC001591181685 1284284124 /nfs/dbraw/zinc/28/41/24/1284284124.db2.gz CYIFZMZRIWPKPT-UHFFFAOYSA-N 0 3 360.378 0.471 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001593488145 1286176182 /nfs/dbraw/zinc/17/61/82/1286176182.db2.gz ZIFWQEFKAOMFFY-UKRRQHHQSA-N 0 3 370.373 0.609 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001593488145 1286176186 /nfs/dbraw/zinc/17/61/86/1286176186.db2.gz ZIFWQEFKAOMFFY-UKRRQHHQSA-N 0 3 370.373 0.609 20 5 FCBDHN Cc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)nn1C ZINC001699883081 1289572350 /nfs/dbraw/zinc/57/23/50/1289572350.db2.gz OKLMQRRJQDOPQJ-ZIAGYGMSSA-N 0 3 351.407 0.149 20 5 FCBDHN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC001690134135 1294861329 /nfs/dbraw/zinc/86/13/29/1294861329.db2.gz GTVSHGQMHODOBY-HUUCEWRRSA-N 0 3 352.435 0.587 20 5 FCBDHN Cc1nnsc1CN(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364695 843910433 /nfs/dbraw/zinc/91/04/33/843910433.db2.gz ABCVSPSNZOQGPP-CHWSQXEVSA-N 0 3 369.447 0.297 20 5 FCBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001121664579 848379862 /nfs/dbraw/zinc/37/98/62/848379862.db2.gz ZCGYIEHBHJESNM-AWEZNQCLSA-N 0 3 352.439 0.666 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)cc1OC ZINC001163251804 850361122 /nfs/dbraw/zinc/36/11/22/850361122.db2.gz CQUXRXCJQQLVLY-WFASDCNBSA-N 0 3 350.331 0.380 20 5 FCBDHN CS(=O)(=O)N(c1cc([N+](=O)[O-])cc2c(Cl)ncnc21)C1CNC1 ZINC001166971613 850517736 /nfs/dbraw/zinc/51/77/36/850517736.db2.gz HAYUKOZNEZUJIZ-UHFFFAOYSA-N 0 3 357.779 0.929 20 5 FCBDHN CN(C)c1noc(CNCCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458646 850900703 /nfs/dbraw/zinc/90/07/03/850900703.db2.gz PVGCPBOOIARROP-VXGBXAGGSA-N 0 3 354.411 0.567 20 5 FCBDHN NC(=O)C1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001307762449 866672875 /nfs/dbraw/zinc/67/28/75/866672875.db2.gz OCYSGDRTMCIWAY-UHFFFAOYSA-N 0 3 354.338 0.375 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001345685549 871458859 /nfs/dbraw/zinc/45/88/59/871458859.db2.gz VOQVCYBAJKZNMI-LBPRGKRZSA-N 0 3 353.427 0.143 20 5 FCBDHN CN(C[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000293322446 214165073 /nfs/dbraw/zinc/16/50/73/214165073.db2.gz XOLUKMZEYRVTCC-OAHLLOKOSA-N 0 3 362.430 0.808 20 5 FCBDHN CCN(CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C1CC1 ZINC000265429181 210133692 /nfs/dbraw/zinc/13/36/92/210133692.db2.gz URPXMAUCVNFWPN-UHFFFAOYSA-N 0 3 370.431 0.765 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000264863819 210002089 /nfs/dbraw/zinc/00/20/89/210002089.db2.gz FLLCAKRKEIISCT-UHFFFAOYSA-N 0 3 364.402 0.749 20 5 FCBDHN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000245879578 209377536 /nfs/dbraw/zinc/37/75/36/209377536.db2.gz AYUWTIIZOMWUCU-KBPBESRZSA-N 0 3 359.386 0.931 20 5 FCBDHN Cc1c(C(=O)N2CCN[C@H](C)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000277537493 212371786 /nfs/dbraw/zinc/37/17/86/212371786.db2.gz WHUYIZCRXFSVMY-ZJUUUORDSA-N 0 3 356.404 0.373 20 5 FCBDHN C[C@@H]1CN(CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277320599 212349713 /nfs/dbraw/zinc/34/97/13/212349713.db2.gz CDJONFYTXQCILY-CYBMUJFWSA-N 0 3 354.411 0.591 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188425018 209230051 /nfs/dbraw/zinc/23/00/51/209230051.db2.gz QUBAWHVDBFHDQH-HNNXBMFYSA-N 0 3 361.402 0.556 20 5 FCBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000275373054 212014743 /nfs/dbraw/zinc/01/47/43/212014743.db2.gz ARZPDKUVHBDKKF-UHFFFAOYSA-N 0 3 366.374 0.715 20 5 FCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000375884564 217330874 /nfs/dbraw/zinc/33/08/74/217330874.db2.gz VJVYNXASSMFUJY-CQSZACIVSA-N 0 3 350.423 0.418 20 5 FCBDHN CO[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@H](CN)C1 ZINC000419764647 246288411 /nfs/dbraw/zinc/28/84/11/246288411.db2.gz WDRSBKIKIUJWDI-KBPBESRZSA-N 0 3 364.402 0.484 20 5 FCBDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424448205 247219805 /nfs/dbraw/zinc/21/98/05/247219805.db2.gz ODPOFLXWTUQNHP-UONOGXRCSA-N 0 3 358.358 0.220 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000270359246 211190614 /nfs/dbraw/zinc/19/06/14/211190614.db2.gz WULYQXKWTLCPLI-UHFFFAOYSA-N 0 3 355.391 0.855 20 5 FCBDHN O=C(NCC1CCN(CCO)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472620760 250168090 /nfs/dbraw/zinc/16/80/90/250168090.db2.gz BOUSWHQKWFRYNJ-UHFFFAOYSA-N 0 3 368.365 0.493 20 5 FCBDHN COC(=O)COc1ccc(CNCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000474000079 250263741 /nfs/dbraw/zinc/26/37/41/250263741.db2.gz KPWBRIHIZXQCQN-UHFFFAOYSA-N 0 3 354.359 0.778 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000481677559 250349382 /nfs/dbraw/zinc/34/93/82/250349382.db2.gz OHDXHPINIIPMAH-LSDHHAIUSA-N 0 3 373.413 0.941 20 5 FCBDHN C[C@H](CC(=O)N(C)C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268857974 210873921 /nfs/dbraw/zinc/87/39/21/210873921.db2.gz VAWPBCXNACJWLB-LLVKDONJSA-N 0 3 358.420 0.330 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176483798 209004775 /nfs/dbraw/zinc/00/47/75/209004775.db2.gz CQCWUWRMUPIWHX-UHFFFAOYSA-N 0 3 363.418 0.803 20 5 FCBDHN COC(=O)[C@H]1CN(C)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915401 533487921 /nfs/dbraw/zinc/48/79/21/533487921.db2.gz LLLUTFHJTWWJMY-ZDUSSCGKSA-N 0 3 364.402 0.960 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363923294 488901463 /nfs/dbraw/zinc/90/14/63/488901463.db2.gz SNCYOEJVIXNNSV-ZDUSSCGKSA-N 0 3 362.434 0.693 20 5 FCBDHN CN(C)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000015206895 487576834 /nfs/dbraw/zinc/57/68/34/487576834.db2.gz XVPFQTMUIZDCBL-UHFFFAOYSA-N 0 3 371.463 0.504 20 5 FCBDHN C[C@@H](CN1CCOCC1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279690387 488962062 /nfs/dbraw/zinc/96/20/62/488962062.db2.gz HNWGJRMGGXIQFV-HOCLYGCPSA-N 0 3 353.419 0.987 20 5 FCBDHN C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057705648 488274419 /nfs/dbraw/zinc/27/44/19/488274419.db2.gz RMTLPHSJCLDWQK-GFCCVEGCSA-N 0 3 363.418 0.993 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184217448 488396046 /nfs/dbraw/zinc/39/60/46/488396046.db2.gz SVXLONLQULTNOE-UHFFFAOYSA-N 0 3 352.439 0.632 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185279319 488400310 /nfs/dbraw/zinc/40/03/10/488400310.db2.gz WPJUBSLQAAYWPS-GFCCVEGCSA-N 0 3 350.423 0.575 20 5 FCBDHN Cc1c(Br)cc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000237724989 488456783 /nfs/dbraw/zinc/45/67/83/488456783.db2.gz QHFGYIUVLATGPH-UHFFFAOYSA-N 0 3 350.194 0.916 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962358 488459252 /nfs/dbraw/zinc/45/92/52/488459252.db2.gz FAFQSEGQRVFPEC-KBPBESRZSA-N 0 3 359.386 0.992 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962358 488459253 /nfs/dbraw/zinc/45/92/53/488459253.db2.gz FAFQSEGQRVFPEC-KBPBESRZSA-N 0 3 359.386 0.992 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962359 488459334 /nfs/dbraw/zinc/45/93/34/488459334.db2.gz FAFQSEGQRVFPEC-KGLIPLIRSA-N 0 3 359.386 0.992 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962359 488459337 /nfs/dbraw/zinc/45/93/37/488459337.db2.gz FAFQSEGQRVFPEC-KGLIPLIRSA-N 0 3 359.386 0.992 20 5 FCBDHN CCC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000245965038 488468461 /nfs/dbraw/zinc/46/84/61/488468461.db2.gz VJQXGVPKYSGORV-GOEBONIOSA-N 0 3 355.439 0.585 20 5 FCBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000247503784 488486912 /nfs/dbraw/zinc/48/69/12/488486912.db2.gz LYOOUYDNAWJGBO-PNBKFKSVSA-N 0 3 367.450 0.726 20 5 FCBDHN CS[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000271599368 488529910 /nfs/dbraw/zinc/52/99/10/488529910.db2.gz HYILIAJWOMQRQF-QWHCGFSZSA-N 0 3 360.461 0.724 20 5 FCBDHN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000262479649 488572632 /nfs/dbraw/zinc/57/26/32/488572632.db2.gz ROHHCBMTRYMWQW-UHFFFAOYSA-N 0 3 356.404 0.085 20 5 FCBDHN COCCN1CC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000273088740 488630749 /nfs/dbraw/zinc/63/07/49/488630749.db2.gz QYAZSWIHDOBDPR-AWEZNQCLSA-N 0 3 364.402 0.470 20 5 FCBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCCC1 ZINC000273536816 488657463 /nfs/dbraw/zinc/65/74/63/488657463.db2.gz SKGSHPAKEVAPNW-ZIAGYGMSSA-N 0 3 366.443 0.795 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000264244927 488657510 /nfs/dbraw/zinc/65/75/10/488657510.db2.gz DMHGGIGBYUCXMI-UHFFFAOYSA-N 0 3 352.391 0.878 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000136036225 488675949 /nfs/dbraw/zinc/67/59/49/488675949.db2.gz LCBHRZVRUJMKKL-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN CN1CCN(Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000136036225 488675951 /nfs/dbraw/zinc/67/59/51/488675951.db2.gz LCBHRZVRUJMKKL-UHFFFAOYSA-N 0 3 358.402 0.995 20 5 FCBDHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000152080376 488713288 /nfs/dbraw/zinc/71/32/88/488713288.db2.gz GHUATQAWFRHZIF-UHFFFAOYSA-N 0 3 360.374 0.608 20 5 FCBDHN CCN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000264801519 488714032 /nfs/dbraw/zinc/71/40/32/488714032.db2.gz UCMZVVIXKTVUOG-UHFFFAOYSA-N 0 3 360.370 0.745 20 5 FCBDHN COCCCN(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000152465593 488718180 /nfs/dbraw/zinc/71/81/80/488718180.db2.gz ZFAQOKMHYSKJMS-UHFFFAOYSA-N 0 3 362.390 0.874 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000152639435 488720944 /nfs/dbraw/zinc/72/09/44/488720944.db2.gz GOPCWSUFLJUYEM-CQSZACIVSA-N 0 3 361.402 0.556 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000152639578 488721082 /nfs/dbraw/zinc/72/10/82/488721082.db2.gz GOPCWSUFLJUYEM-AWEZNQCLSA-N 0 3 361.402 0.556 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000278118123 488801468 /nfs/dbraw/zinc/80/14/68/488801468.db2.gz LMALJXYQTWLTIU-NSHDSACASA-N 0 3 374.401 0.497 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000171287180 488821850 /nfs/dbraw/zinc/82/18/50/488821850.db2.gz HUMPJQXKJBUFTI-UHFFFAOYSA-N 0 3 374.401 0.399 20 5 FCBDHN C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000280935923 489042432 /nfs/dbraw/zinc/04/24/32/489042432.db2.gz KYCSPMKXLOYNFU-LLVKDONJSA-N 0 3 370.431 0.472 20 5 FCBDHN C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000280935923 489042435 /nfs/dbraw/zinc/04/24/35/489042435.db2.gz KYCSPMKXLOYNFU-LLVKDONJSA-N 0 3 370.431 0.472 20 5 FCBDHN CN1CCC[C@@H](N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000365350617 489066349 /nfs/dbraw/zinc/06/63/49/489066349.db2.gz FEVPYMLACWXVMY-CQSZACIVSA-N 0 3 350.423 0.420 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365629589 489093921 /nfs/dbraw/zinc/09/39/21/489093921.db2.gz NJSBZDGKMGYATG-CQSZACIVSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365629589 489093923 /nfs/dbraw/zinc/09/39/23/489093923.db2.gz NJSBZDGKMGYATG-CQSZACIVSA-N 0 3 363.418 0.936 20 5 FCBDHN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365629589 489093926 /nfs/dbraw/zinc/09/39/26/489093926.db2.gz NJSBZDGKMGYATG-CQSZACIVSA-N 0 3 363.418 0.936 20 5 FCBDHN O=Cc1ccc(OCC(=O)N[C@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000298678310 489351941 /nfs/dbraw/zinc/35/19/41/489351941.db2.gz UOXIWBGRMBGXRU-AWEZNQCLSA-N 0 3 365.386 0.749 20 5 FCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298723452 489357679 /nfs/dbraw/zinc/35/76/79/489357679.db2.gz UTQGEHWNBHBVPF-UHFFFAOYSA-N 0 3 352.391 0.581 20 5 FCBDHN CCCc1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082242 489421443 /nfs/dbraw/zinc/42/14/43/489421443.db2.gz SGUAICXLXOLFPG-CHWSQXEVSA-N 0 3 351.407 0.942 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299303742 489430001 /nfs/dbraw/zinc/43/00/01/489430001.db2.gz SAQBBNRJERSVQU-UHFFFAOYSA-N 0 3 367.406 0.491 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363209624 489438624 /nfs/dbraw/zinc/43/86/24/489438624.db2.gz RWUWEURWIAWFQU-CQSZACIVSA-N 0 3 361.402 0.731 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000363358110 489456619 /nfs/dbraw/zinc/45/66/19/489456619.db2.gz APGZQYQCDJCDJJ-CQSZACIVSA-N 0 3 361.402 0.731 20 5 FCBDHN Cc1noc(C2(C)CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000371576434 489488793 /nfs/dbraw/zinc/48/87/93/489488793.db2.gz WUXGUFYJWUKYFJ-ZDUSSCGKSA-N 0 3 350.379 0.897 20 5 FCBDHN Cc1noc(C2(C)CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000371576433 489488910 /nfs/dbraw/zinc/48/89/10/489488910.db2.gz WUXGUFYJWUKYFJ-CYBMUJFWSA-N 0 3 350.379 0.897 20 5 FCBDHN CNc1nc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456065116 489606205 /nfs/dbraw/zinc/60/62/05/489606205.db2.gz KVUCWIHXMRGUMI-LBPRGKRZSA-N 0 3 350.423 0.787 20 5 FCBDHN COC(=O)[C@]1(c2ccccc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819533 489665605 /nfs/dbraw/zinc/66/56/05/489665605.db2.gz QBRXAKCYQQOIIK-SJLPKXTDSA-N 0 3 374.397 0.969 20 5 FCBDHN CNc1nccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000563823162 491271209 /nfs/dbraw/zinc/27/12/09/491271209.db2.gz OJOZOCULGPQDGO-UHFFFAOYSA-N 0 3 360.374 1.007 20 5 FCBDHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489924336 489735807 /nfs/dbraw/zinc/73/58/07/489735807.db2.gz LTRRLTUVTDIKFV-CQSZACIVSA-N 0 3 370.431 0.411 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000418935924 489796716 /nfs/dbraw/zinc/79/67/16/489796716.db2.gz KCXHWRWVYUNCAB-BXUZGUMPSA-N 0 3 364.402 0.805 20 5 FCBDHN NS(=O)(=O)c1cccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000376898347 489813989 /nfs/dbraw/zinc/81/39/89/489813989.db2.gz VYGKFRYVTBQEQF-GHMZBOCLSA-N 0 3 356.404 0.517 20 5 FCBDHN Cc1c([C@H]2OCC[C@@H]2NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000431942870 489823647 /nfs/dbraw/zinc/82/36/47/489823647.db2.gz RASXHFPKCOAAHV-AEGPPILISA-N 0 3 350.379 0.314 20 5 FCBDHN COc1cc(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000377511954 489912455 /nfs/dbraw/zinc/91/24/55/489912455.db2.gz LYBBXMXDNGQUQR-GXTWGEPZSA-N 0 3 365.386 0.962 20 5 FCBDHN COc1cc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000377511957 489912630 /nfs/dbraw/zinc/91/26/30/489912630.db2.gz LYBBXMXDNGQUQR-TZMCWYRMSA-N 0 3 365.386 0.962 20 5 FCBDHN C[C@H]1NCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000434710832 489950659 /nfs/dbraw/zinc/95/06/59/489950659.db2.gz ZOTBEEKCHWKRFH-VXGBXAGGSA-N 0 3 370.431 0.472 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000571179580 491290518 /nfs/dbraw/zinc/29/05/18/491290518.db2.gz SRTBTGRIIVCBSO-RYUDHWBXSA-N 0 3 368.415 0.144 20 5 FCBDHN COC(=O)C[C@]1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000464606368 490062143 /nfs/dbraw/zinc/06/21/43/490062143.db2.gz FZDOPHNVDIWPTP-XJKSGUPXSA-N 0 3 354.359 0.646 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000422022293 490127375 /nfs/dbraw/zinc/12/73/75/490127375.db2.gz NSPKXFYKGVXQKU-CYBMUJFWSA-N 0 3 364.402 0.886 20 5 FCBDHN CN1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000520353126 490135640 /nfs/dbraw/zinc/13/56/40/490135640.db2.gz BBAMDENFVYMMNM-CYBMUJFWSA-N 0 3 370.431 0.474 20 5 FCBDHN COC(=O)[C@H](O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571359405 491303196 /nfs/dbraw/zinc/30/31/96/491303196.db2.gz MRZRCDMMLBZSGZ-XJKSGUPXSA-N 0 3 368.386 0.580 20 5 FCBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000466943323 490230426 /nfs/dbraw/zinc/23/04/26/490230426.db2.gz ODRPCWZISJDZQC-NSHDSACASA-N 0 3 365.390 0.935 20 5 FCBDHN O=C(CCN1CCC2(CC1)NC(=O)NC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000534098607 490318358 /nfs/dbraw/zinc/31/83/58/490318358.db2.gz OTHPJPFINCXECZ-UHFFFAOYSA-N 0 3 361.358 0.597 20 5 FCBDHN O=C(CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O)Nc1ccccc1[N+](=O)[O-] ZINC000534098607 490318363 /nfs/dbraw/zinc/31/83/63/490318363.db2.gz OTHPJPFINCXECZ-UHFFFAOYSA-N 0 3 361.358 0.597 20 5 FCBDHN C[C@H]1CCN(C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000498734101 490333450 /nfs/dbraw/zinc/33/34/50/490333450.db2.gz ZITKWUKIWNZCAG-NSHDSACASA-N 0 3 360.370 0.743 20 5 FCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000522191780 490352236 /nfs/dbraw/zinc/35/22/36/490352236.db2.gz KAKZSILFINMUNA-GFCCVEGCSA-N 0 3 352.439 0.640 20 5 FCBDHN [NH3+]C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422751997 490470596 /nfs/dbraw/zinc/47/05/96/490470596.db2.gz CDAGMBJGKXGRCB-LLVKDONJSA-N 0 3 356.404 0.213 20 5 FCBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000564854021 491331524 /nfs/dbraw/zinc/33/15/24/491331524.db2.gz IROQONXJHOTLBO-AWEZNQCLSA-N 0 3 371.459 0.926 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000525103045 490576116 /nfs/dbraw/zinc/57/61/16/490576116.db2.gz KFNGFNPOVNHFHZ-JSGCOSHPSA-N 0 3 363.418 0.993 20 5 FCBDHN NS(=O)(=O)C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000511582084 490604134 /nfs/dbraw/zinc/60/41/34/490604134.db2.gz QZTQGPHHXBLINR-GFCCVEGCSA-N 0 3 370.431 0.924 20 5 FCBDHN C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000525616194 490614822 /nfs/dbraw/zinc/61/48/22/490614822.db2.gz LCHFKSYDJZHKOJ-MNOVXSKESA-N 0 3 360.370 0.790 20 5 FCBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000572112644 491349127 /nfs/dbraw/zinc/34/91/27/491349127.db2.gz RSENXEMGXDKNFJ-KGLIPLIRSA-N 0 3 367.402 0.562 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000502894321 490728447 /nfs/dbraw/zinc/72/84/47/490728447.db2.gz UWLBUGIMASNOHJ-XHDPSFHLSA-N 0 3 356.427 0.256 20 5 FCBDHN CN1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](CN)C1 ZINC000515842028 490840741 /nfs/dbraw/zinc/84/07/41/490840741.db2.gz KSULBGIDHAYNHE-LBPRGKRZSA-N 0 3 350.375 0.010 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CCN2C1=O ZINC000515870646 490842657 /nfs/dbraw/zinc/84/26/57/490842657.db2.gz UTFKXORRTPOOSJ-ZWNOBZJWSA-N 0 3 355.354 0.527 20 5 FCBDHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000505888687 490843618 /nfs/dbraw/zinc/84/36/18/490843618.db2.gz AOZNBIPLYYZJMK-NEPJUHHUSA-N 0 3 370.431 0.472 20 5 FCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517083887 490894381 /nfs/dbraw/zinc/89/43/81/490894381.db2.gz BCMYQVYGJCZHBB-CQSZACIVSA-N 0 3 352.391 0.326 20 5 FCBDHN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000565207849 491360280 /nfs/dbraw/zinc/36/02/80/491360280.db2.gz YDGIETOFWVAPHF-VIFPVBQESA-N 0 3 358.345 0.598 20 5 FCBDHN CSc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565240583 491364023 /nfs/dbraw/zinc/36/40/23/491364023.db2.gz YTZUSHUVJDLNLF-MNOVXSKESA-N 0 3 350.400 0.701 20 5 FCBDHN CN(C)CCOC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530616083 490916003 /nfs/dbraw/zinc/91/60/03/490916003.db2.gz WDYAAHWUUBRGET-UHFFFAOYSA-N 0 3 358.420 0.721 20 5 FCBDHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000519000516 490958797 /nfs/dbraw/zinc/95/87/97/490958797.db2.gz DTAWQDGBZCENNH-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN COc1ccc(NC(=O)CCN2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000519680729 490983630 /nfs/dbraw/zinc/98/36/30/490983630.db2.gz VDZXYKGQCGJBNT-NHYWBVRUSA-N 0 3 353.375 0.607 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000569757956 491188846 /nfs/dbraw/zinc/18/88/46/491188846.db2.gz GIPXHZWSIRYHGO-UHFFFAOYSA-N 0 3 353.375 0.568 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000559844797 491504160 /nfs/dbraw/zinc/50/41/60/491504160.db2.gz MBUGMTPWNAGKDZ-UHFFFAOYSA-N 0 3 360.374 1.239 20 5 FCBDHN C[C@H](NC1CC1)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000567749164 491526950 /nfs/dbraw/zinc/52/69/50/491526950.db2.gz XSQWHPPWQZEDEH-JTQLQIEISA-N 0 3 370.431 0.667 20 5 FCBDHN C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567912384 491540920 /nfs/dbraw/zinc/54/09/20/491540920.db2.gz NMQIIXZCLPVMJA-ZETOZRRWSA-N 0 3 370.431 0.376 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000575921730 491570383 /nfs/dbraw/zinc/57/03/83/491570383.db2.gz MKLVXLNUXSQABL-GFCCVEGCSA-N 0 3 370.373 0.999 20 5 FCBDHN N[C@H]1C[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN2C1=O ZINC000568415301 491575461 /nfs/dbraw/zinc/57/54/61/491575461.db2.gz NVGVUORUHVMIKO-CBAPKCEASA-N 0 3 356.180 0.501 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414509 491575467 /nfs/dbraw/zinc/57/54/67/491575467.db2.gz MWOAWMJLKFHHOF-STQMWFEESA-N 0 3 370.369 0.165 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(N3CCOCC3)n2)c1 ZINC000569096596 491633538 /nfs/dbraw/zinc/63/35/38/491633538.db2.gz FSOIXQWEGDWAKA-OAHLLOKOSA-N 0 3 362.390 0.174 20 5 FCBDHN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000579286707 491694785 /nfs/dbraw/zinc/69/47/85/491694785.db2.gz UFFMHTCBQRPEGS-GFCCVEGCSA-N 0 3 351.407 0.214 20 5 FCBDHN O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CCCCC1 ZINC000579463444 491698379 /nfs/dbraw/zinc/69/83/79/491698379.db2.gz TUCUMEOIUKMDHT-SWLSCSKDSA-N 0 3 351.407 0.675 20 5 FCBDHN Cn1cc(C[C@@H](CO)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000580194365 491721032 /nfs/dbraw/zinc/72/10/32/491721032.db2.gz KKOKPLMUAYMIDQ-UONOGXRCSA-N 0 3 350.375 0.261 20 5 FCBDHN CN(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000588866245 491750788 /nfs/dbraw/zinc/75/07/88/491750788.db2.gz JCDCJVZECCMQPJ-GFCCVEGCSA-N 0 3 352.391 0.084 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000590371873 491774308 /nfs/dbraw/zinc/77/43/08/491774308.db2.gz LKNAGGHIONGVPQ-STQMWFEESA-N 0 3 368.438 0.400 20 5 FCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000590372183 491774394 /nfs/dbraw/zinc/77/43/94/491774394.db2.gz XSIKBXITJNUFQT-AWEZNQCLSA-N 0 3 364.402 0.288 20 5 FCBDHN CCCc1n[nH]c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590399031 491775456 /nfs/dbraw/zinc/77/54/56/491775456.db2.gz DJLQHCVTIZCVBX-UHFFFAOYSA-N 0 3 350.423 0.590 20 5 FCBDHN CCCc1[nH]nc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590399031 491775458 /nfs/dbraw/zinc/77/54/58/491775458.db2.gz DJLQHCVTIZCVBX-UHFFFAOYSA-N 0 3 350.423 0.590 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971869 491790239 /nfs/dbraw/zinc/79/02/39/491790239.db2.gz RKPALZBFNMPAOT-GFCCVEGCSA-N 0 3 351.359 0.762 20 5 FCBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000595948952 491963686 /nfs/dbraw/zinc/96/36/86/491963686.db2.gz UFWQJDWPQTYPGL-UHFFFAOYSA-N 0 3 361.314 0.250 20 5 FCBDHN Cc1c(CN)c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)nn1C ZINC000595961437 491965862 /nfs/dbraw/zinc/96/58/62/491965862.db2.gz LSFPDMYPUKDBBY-UHFFFAOYSA-N 0 3 370.373 1.237 20 5 FCBDHN CN1CCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000596221160 491980161 /nfs/dbraw/zinc/98/01/61/491980161.db2.gz ACLBBYYNRVIBCW-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C)C ZINC000603577100 492037707 /nfs/dbraw/zinc/03/77/07/492037707.db2.gz SEHDKNODDDIWGM-GFCCVEGCSA-N 0 3 372.447 0.978 20 5 FCBDHN CN(C)CCNC(=O)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000603877763 492044569 /nfs/dbraw/zinc/04/45/69/492044569.db2.gz NIXSMRXXSLOYPH-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000597653492 492056820 /nfs/dbraw/zinc/05/68/20/492056820.db2.gz JSGMAXXDBASPOR-VIFPVBQESA-N 0 3 366.403 0.516 20 5 FCBDHN [NH3+][C@@]12CCC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598669927 492112685 /nfs/dbraw/zinc/11/26/85/492112685.db2.gz NVUCXCGGPYLUNX-XHDPSFHLSA-N 0 3 368.415 0.213 20 5 FCBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000616091112 492117012 /nfs/dbraw/zinc/11/70/12/492117012.db2.gz MKFUCPWAOSQNOK-LRDDRELGSA-N 0 3 367.402 0.955 20 5 FCBDHN COc1cccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598866019 492119963 /nfs/dbraw/zinc/11/99/63/492119963.db2.gz HPNWSWLOBLUXES-UHFFFAOYSA-N 0 3 352.391 0.695 20 5 FCBDHN COCCN1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609280427 492203194 /nfs/dbraw/zinc/20/31/94/492203194.db2.gz OCNDGLCVNQBFBQ-CQSZACIVSA-N 0 3 364.402 0.552 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)CCS(=O)(=O)CC1)OCCO2 ZINC000610162354 492236689 /nfs/dbraw/zinc/23/66/89/492236689.db2.gz VBNKQKGWWKVPIP-UHFFFAOYSA-N 0 3 372.399 0.395 20 5 FCBDHN COc1cc(CNC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000610271171 492241201 /nfs/dbraw/zinc/24/12/01/492241201.db2.gz BAYRCOBEIUHUMH-MRXNPFEDSA-N 0 3 355.391 0.482 20 5 FCBDHN NC(=O)c1ccc(SCC(=O)NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000610632861 492255830 /nfs/dbraw/zinc/25/58/30/492255830.db2.gz OTHWQYHVSRGYMX-UHFFFAOYSA-N 0 3 352.416 0.998 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420017986 535809486 /nfs/dbraw/zinc/80/94/86/535809486.db2.gz PIEHOUDALICQDL-WBMJQRKESA-N 0 3 370.454 0.646 20 5 FCBDHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441852203 535894405 /nfs/dbraw/zinc/89/44/05/535894405.db2.gz ZVWYLTGQMADGRH-UHFFFAOYSA-N 0 3 358.782 0.881 20 5 FCBDHN CN(C)S(=O)(=O)c1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000545874737 546887534 /nfs/dbraw/zinc/88/75/34/546887534.db2.gz SCUZPHANIJMGFR-AWEZNQCLSA-N 0 3 358.420 0.324 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545862654 546887547 /nfs/dbraw/zinc/88/75/47/546887547.db2.gz QGWQFBRXZWDBLZ-ABAIWWIYSA-N 0 3 354.411 0.010 20 5 FCBDHN CC(C)(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000591735588 546939188 /nfs/dbraw/zinc/93/91/88/546939188.db2.gz PCKLVJYKSAFWJU-LBPRGKRZSA-N 0 3 361.420 0.252 20 5 FCBDHN C[NH2+]CC1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592469052 546951950 /nfs/dbraw/zinc/95/19/50/546951950.db2.gz FYZIEUZORCRDNW-UHFFFAOYSA-N 0 3 370.431 0.331 20 5 FCBDHN O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000823647933 599453113 /nfs/dbraw/zinc/45/31/13/599453113.db2.gz QDUUGGBWSFSYCB-NSHDSACASA-N 0 3 369.389 0.845 20 5 FCBDHN O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000823647933 599453115 /nfs/dbraw/zinc/45/31/15/599453115.db2.gz QDUUGGBWSFSYCB-NSHDSACASA-N 0 3 369.389 0.845 20 5 FCBDHN COCc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997767488 667175031 /nfs/dbraw/zinc/17/50/31/667175031.db2.gz GAYCZHGVHIPGII-VXGBXAGGSA-N 0 3 353.379 0.209 20 5 FCBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000819136903 668982842 /nfs/dbraw/zinc/98/28/42/668982842.db2.gz QFMTZTBMTCSGFI-AWEZNQCLSA-N 0 3 370.387 0.325 20 5 FCBDHN C[N@@H+]1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809830853 669642370 /nfs/dbraw/zinc/64/23/70/669642370.db2.gz GNKPJHWOMNJBMW-GFCCVEGCSA-N 0 3 367.786 0.732 20 5 FCBDHN C[N@H+]1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809830853 669642372 /nfs/dbraw/zinc/64/23/72/669642372.db2.gz GNKPJHWOMNJBMW-GFCCVEGCSA-N 0 3 367.786 0.732 20 5 FCBDHN CCN(CCO)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000829551510 669707869 /nfs/dbraw/zinc/70/78/69/669707869.db2.gz JTNKCVOOZUPNBR-UHFFFAOYSA-N 0 3 356.354 0.736 20 5 FCBDHN CC(COC(=O)c1sccc1S(=O)(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813102089 669827265 /nfs/dbraw/zinc/82/72/65/669827265.db2.gz AYGNJYGKILYJIY-SECBINFHSA-N 0 3 364.401 0.591 20 5 FCBDHN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842483619 670694489 /nfs/dbraw/zinc/69/44/89/670694489.db2.gz PEHFOCUGWFRKFI-VIFPVBQESA-N 0 3 374.375 0.040 20 5 FCBDHN CCC(C)(C)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055627420 676028561 /nfs/dbraw/zinc/02/85/61/676028561.db2.gz QCYJDVXSJSYRFZ-ZIAGYGMSSA-N 0 3 354.451 0.785 20 5 FCBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976485667 1185960173 /nfs/dbraw/zinc/96/01/73/1185960173.db2.gz AYTFDFGABOJESF-OVKLUEDNSA-N 0 3 361.402 0.693 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363410 1198327297 /nfs/dbraw/zinc/32/72/97/1198327297.db2.gz RZSDSSAHBMPQAX-RRCSTGOVSA-N 0 3 370.413 0.917 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2ncnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363527 1198328162 /nfs/dbraw/zinc/32/81/62/1198328162.db2.gz ZGWCBNFUVJHDPG-RRCSTGOVSA-N 0 3 370.413 0.917 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000788964663 1200983604 /nfs/dbraw/zinc/98/36/04/1200983604.db2.gz LWHQVJDNDRMNOM-AWEZNQCLSA-N 0 3 364.358 0.703 20 5 FCBDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585937 1209542641 /nfs/dbraw/zinc/54/26/41/1209542641.db2.gz DVJOZEUIJVJROS-IRXDYDNUSA-N 0 3 362.430 0.867 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855695105 1209679967 /nfs/dbraw/zinc/67/99/67/1209679967.db2.gz HAJUJHKKEOHIEG-UHFFFAOYSA-N 0 3 367.362 0.595 20 5 FCBDHN CN(C)c1ccncc1C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000947516184 1212039474 /nfs/dbraw/zinc/03/94/74/1212039474.db2.gz JDKWATYKYJWKNQ-IUODEOHRSA-N 0 3 361.402 0.534 20 5 FCBDHN CN(C(=O)c1ccn(-c2ccncc2)n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954892539 1213116814 /nfs/dbraw/zinc/11/68/14/1213116814.db2.gz DMBYRIPUNQKNKA-UKRRQHHQSA-N 0 3 370.369 0.215 20 5 FCBDHN O=C(c1cncc2nc[nH]c21)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961548312 1214222147 /nfs/dbraw/zinc/22/21/47/1214222147.db2.gz GZUDPLYJPMDSBK-FBKDDSFISA-N 0 3 370.369 0.154 20 5 FCBDHN CCN(C(=O)c1ccn2cncc2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968178965 1215293439 /nfs/dbraw/zinc/29/34/39/1215293439.db2.gz GMFPEFFVRFERPI-HUUCEWRRSA-N 0 3 357.370 0.672 20 5 FCBDHN CCC1(NC(=O)CCc2nnc[nH]2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368525 1216785989 /nfs/dbraw/zinc/78/59/89/1216785989.db2.gz WGFOTWCLXHWVFP-VXGBXAGGSA-N 0 3 364.406 0.290 20 5 FCBDHN O=C(CO[C@@H]1CCN(Cc2ccccc2)C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224798433 1225793591 /nfs/dbraw/zinc/79/35/91/1225793591.db2.gz YNAKIQHCJPSQRH-CQSZACIVSA-N 0 3 364.358 0.369 20 5 FCBDHN CCn1ncnc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525200 1218278125 /nfs/dbraw/zinc/27/81/25/1218278125.db2.gz OTXNRIYTSLKZDP-XLWJZTARSA-N 0 3 362.434 0.822 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cc4n(n3)CCCC4)C[C@H]2C1 ZINC001048814471 1218318453 /nfs/dbraw/zinc/31/84/53/1218318453.db2.gz NFIFGZJCTORRCR-DLTLXFJOSA-N 0 3 359.430 0.775 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483841 1222741204 /nfs/dbraw/zinc/74/12/04/1222741204.db2.gz GOZDHXOJGFXWDL-KBPBESRZSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C(Cc1noc(C[C@H]2CNCCO2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843224754 1222861848 /nfs/dbraw/zinc/86/18/48/1222861848.db2.gz SRRFFJAGPKVEJO-ZDUSSCGKSA-N 0 3 361.358 0.368 20 5 FCBDHN CNC(=O)CN1CCO[C@H]2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254599523 1259888970 /nfs/dbraw/zinc/88/89/70/1259888970.db2.gz ZNJQPKBIKMVVHL-BBWFWOEESA-N 0 3 360.414 0.193 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CN2CCC1CC2 ZINC001336035577 1259954238 /nfs/dbraw/zinc/95/42/38/1259954238.db2.gz OPQGXSGIQADNDR-CYBMUJFWSA-N 0 3 360.370 0.531 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323942213 1264546041 /nfs/dbraw/zinc/54/60/41/1264546041.db2.gz QKAPSVJNPNGEJD-CQSZACIVSA-N 0 3 364.402 0.820 20 5 FCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001327436113 1265320726 /nfs/dbraw/zinc/32/07/26/1265320726.db2.gz ILIATRRDBBGQGZ-LSDHHAIUSA-N 0 3 362.386 0.190 20 5 FCBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001342139345 1269368114 /nfs/dbraw/zinc/36/81/14/1269368114.db2.gz OJRGJTIZMCRIJD-CYBMUJFWSA-N 0 3 366.422 0.288 20 5 FCBDHN CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589322224 1282836109 /nfs/dbraw/zinc/83/61/09/1282836109.db2.gz WXAAUVDOQWJVAL-CQSZACIVSA-N 0 3 372.389 0.857 20 5 FCBDHN CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589322224 1282836120 /nfs/dbraw/zinc/83/61/20/1282836120.db2.gz WXAAUVDOQWJVAL-CQSZACIVSA-N 0 3 372.389 0.857 20 5 FCBDHN C[NH+](C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591012212 1284073231 /nfs/dbraw/zinc/07/32/31/1284073231.db2.gz MHIZFTYMMLLWJS-JTQLQIEISA-N 0 3 358.362 0.658 20 5 FCBDHN C[NH+](C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591012212 1284073241 /nfs/dbraw/zinc/07/32/41/1284073241.db2.gz MHIZFTYMMLLWJS-JTQLQIEISA-N 0 3 358.362 0.658 20 5 FCBDHN C[N@H+](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CCOCCO ZINC001604773604 1287774613 /nfs/dbraw/zinc/77/46/13/1287774613.db2.gz RNVRNTFGQDMEED-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN C[N@@H+](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CCOCCO ZINC001604773604 1287774618 /nfs/dbraw/zinc/77/46/18/1287774618.db2.gz RNVRNTFGQDMEED-UHFFFAOYSA-N 0 3 351.367 0.128 20 5 FCBDHN O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480901 1286174676 /nfs/dbraw/zinc/17/46/76/1286174676.db2.gz SBZISIBWWSMTPY-NSHDSACASA-N 0 3 370.373 0.802 20 5 FCBDHN O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480901 1286174679 /nfs/dbraw/zinc/17/46/79/1286174679.db2.gz SBZISIBWWSMTPY-NSHDSACASA-N 0 3 370.373 0.802 20 5 FCBDHN O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480901 1286174682 /nfs/dbraw/zinc/17/46/82/1286174682.db2.gz SBZISIBWWSMTPY-NSHDSACASA-N 0 3 370.373 0.802 20 5 FCBDHN O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480901 1286174685 /nfs/dbraw/zinc/17/46/85/1286174685.db2.gz SBZISIBWWSMTPY-NSHDSACASA-N 0 3 370.373 0.802 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001593487448 1286175735 /nfs/dbraw/zinc/17/57/35/1286175735.db2.gz OACPVOPPOSPLPV-NSHDSACASA-N 0 3 362.325 0.261 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001593487448 1286175737 /nfs/dbraw/zinc/17/57/37/1286175737.db2.gz OACPVOPPOSPLPV-NSHDSACASA-N 0 3 362.325 0.261 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001593488143 1286175889 /nfs/dbraw/zinc/17/58/89/1286175889.db2.gz ZIFWQEFKAOMFFY-HIFRSBDPSA-N 0 3 370.373 0.609 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001593488143 1286175893 /nfs/dbraw/zinc/17/58/93/1286175893.db2.gz ZIFWQEFKAOMFFY-HIFRSBDPSA-N 0 3 370.373 0.609 20 5 FCBDHN Cn1nc(C(F)(F)F)c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1Cl ZINC001126936450 848713324 /nfs/dbraw/zinc/71/33/24/848713324.db2.gz IOZBSPVRKDXSGT-HTRCEHHLSA-N 0 3 369.731 0.963 20 5 FCBDHN Cn1cc(-c2nc(CNCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cs2)cn1 ZINC001126949077 848714366 /nfs/dbraw/zinc/71/43/66/848714366.db2.gz LMPSRMQKTBCAKT-VXGBXAGGSA-N 0 3 350.404 0.415 20 5 FCBDHN COC(=O)CNC(=O)CN[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185018 850719742 /nfs/dbraw/zinc/71/97/42/850719742.db2.gz UMDKHVYEPJMKEX-VIFPVBQESA-N 0 3 357.338 0.552 20 5 FCBDHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001218328029 855415234 /nfs/dbraw/zinc/41/52/34/855415234.db2.gz HPUTWOGAKYCSLZ-SECBINFHSA-N 0 3 354.363 0.195 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261754059 858657719 /nfs/dbraw/zinc/65/77/19/858657719.db2.gz KVYPXPRWMMXEHK-CQSZACIVSA-N 0 3 350.375 0.126 20 5 FCBDHN COCCN(C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)CC1=O ZINC001307145468 866644904 /nfs/dbraw/zinc/64/49/04/866644904.db2.gz APEZUWCFBJMYRE-GFCCVEGCSA-N 0 3 352.395 0.284 20 5 FCBDHN COc1ccc(CN(CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001308035903 866692188 /nfs/dbraw/zinc/69/21/88/866692188.db2.gz XRCRZSYWCGWKAA-OAHLLOKOSA-N 0 3 350.375 0.655 20 5 FCBDHN CN1CCN(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001352971543 867309521 /nfs/dbraw/zinc/30/95/21/867309521.db2.gz LXXCBAPGFQIFHC-UHFFFAOYSA-N 0 3 350.423 0.420 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001344963028 871123481 /nfs/dbraw/zinc/12/34/81/871123481.db2.gz SJZMLCHBCBDPPT-UHFFFAOYSA-N 0 3 352.391 0.248 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001345685548 871458443 /nfs/dbraw/zinc/45/84/43/871458443.db2.gz VOQVCYBAJKZNMI-GFCCVEGCSA-N 0 3 353.427 0.143 20 5 FCBDHN O=[N+]([O-])Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC1CC1 ZINC001346080480 871635718 /nfs/dbraw/zinc/63/57/18/871635718.db2.gz ZDPBUVXWBSKRPR-UHFFFAOYSA-N 0 3 350.423 0.766 20 5 FCBDHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292131410 214079674 /nfs/dbraw/zinc/07/96/74/214079674.db2.gz SLLONZDORHAQSG-GFCCVEGCSA-N 0 3 372.447 0.718 20 5 FCBDHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292131410 214079675 /nfs/dbraw/zinc/07/96/75/214079675.db2.gz SLLONZDORHAQSG-GFCCVEGCSA-N 0 3 372.447 0.718 20 5 FCBDHN CN(CC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295374342 214295201 /nfs/dbraw/zinc/29/52/01/214295201.db2.gz GODCFHARZUKJPA-AWEZNQCLSA-N 0 3 350.419 0.994 20 5 FCBDHN CN(C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2C1 ZINC000265911804 210248004 /nfs/dbraw/zinc/24/80/04/210248004.db2.gz ICQIXEGQYAEQHZ-UHFFFAOYSA-N 0 3 370.409 0.972 20 5 FCBDHN Cc1c(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000265904534 210247045 /nfs/dbraw/zinc/24/70/45/210247045.db2.gz PJISZHJXDOXMIF-UHFFFAOYSA-N 0 3 350.375 0.415 20 5 FCBDHN NC(=O)c1cccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296959038 214371401 /nfs/dbraw/zinc/37/14/01/214371401.db2.gz YFMZNKXXBMALSJ-INIZCTEOSA-N 0 3 359.386 0.916 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000265885340 210242424 /nfs/dbraw/zinc/24/24/24/210242424.db2.gz JVKZFMODZDRUBN-UHFFFAOYSA-N 0 3 350.375 0.415 20 5 FCBDHN C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000265674217 210193853 /nfs/dbraw/zinc/19/38/53/210193853.db2.gz UGONRXICGFFFGA-NSHDSACASA-N 0 3 358.420 0.282 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367045216 216068772 /nfs/dbraw/zinc/06/87/72/216068772.db2.gz JWELLTUWVCJUTD-HIFRSBDPSA-N 0 3 364.450 0.584 20 5 FCBDHN COCCN(C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277668649 212386318 /nfs/dbraw/zinc/38/63/18/212386318.db2.gz HHRZHJGVOLLORF-UHFFFAOYSA-N 0 3 350.379 0.849 20 5 FCBDHN COCCOCCOCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276309028 212209547 /nfs/dbraw/zinc/20/95/47/212209547.db2.gz WUVJRMQTFBMPMV-MRXNPFEDSA-N 0 3 372.418 0.946 20 5 FCBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000373675070 217043625 /nfs/dbraw/zinc/04/36/25/217043625.db2.gz RGTSDYFLOLPJPS-NWDGAFQWSA-N 0 3 356.404 0.517 20 5 FCBDHN NCCNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419822331 246304815 /nfs/dbraw/zinc/30/48/15/246304815.db2.gz WCZVFXSQVGNNFQ-UHFFFAOYSA-N 0 3 363.296 0.217 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000423583916 247064224 /nfs/dbraw/zinc/06/42/24/247064224.db2.gz LFMYHTHTLFPFDX-LLVKDONJSA-N 0 3 356.404 0.131 20 5 FCBDHN O=C(C(=O)N1CCCNCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423613485 247076902 /nfs/dbraw/zinc/07/69/02/247076902.db2.gz ROWURWITFKWPIS-UHFFFAOYSA-N 0 3 361.402 0.065 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000423701408 247115700 /nfs/dbraw/zinc/11/57/00/247115700.db2.gz VRNDZTOZMCCLHR-GFCCVEGCSA-N 0 3 356.329 0.746 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423733440 247133822 /nfs/dbraw/zinc/13/38/22/247133822.db2.gz NOPWMZSRESLWHG-WCQYABFASA-N 0 3 368.415 0.084 20 5 FCBDHN CN(CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccccc1[N+](=O)[O-] ZINC000424007145 247161113 /nfs/dbraw/zinc/16/11/13/247161113.db2.gz VAJKQHHTYPRSTR-CQSZACIVSA-N 0 3 373.417 0.945 20 5 FCBDHN CN1C(=O)NCC12CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000425547286 247350131 /nfs/dbraw/zinc/35/01/31/247350131.db2.gz VBIYPHINHRHXRQ-ZDUSSCGKSA-N 0 3 364.402 0.824 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000441835285 248262930 /nfs/dbraw/zinc/26/29/30/248262930.db2.gz VDQYKNVYESAJNV-UHFFFAOYSA-N 0 3 354.363 0.236 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453808100 249372345 /nfs/dbraw/zinc/37/23/45/249372345.db2.gz QIJCHGLQVDUURN-AWEZNQCLSA-N 0 3 350.375 0.496 20 5 FCBDHN CN(C)C1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000270922606 211299185 /nfs/dbraw/zinc/29/91/85/211299185.db2.gz WSUIOUKUWHYCQR-UHFFFAOYSA-N 0 3 370.431 0.366 20 5 FCBDHN CCN(CCO)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000470594739 250050559 /nfs/dbraw/zinc/05/05/59/250050559.db2.gz NNEMFXVYFOGKOE-UHFFFAOYSA-N 0 3 353.375 0.339 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472610935 250166389 /nfs/dbraw/zinc/16/63/89/250166389.db2.gz UCEKHCQBRFOOOZ-UHFFFAOYSA-N 0 3 356.354 0.709 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000481032040 250309001 /nfs/dbraw/zinc/30/90/01/250309001.db2.gz CXQWSEKCQNFDCX-UHFFFAOYSA-N 0 3 352.391 0.938 20 5 FCBDHN CC(C)C(=O)NC[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075683297 208062632 /nfs/dbraw/zinc/06/26/32/208062632.db2.gz KXBNTENQOKLWLN-HIFRSBDPSA-N 0 3 353.423 0.636 20 5 FCBDHN Cc1nn(CCC(=O)NCCCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000102487076 208169984 /nfs/dbraw/zinc/16/99/84/208169984.db2.gz SNNMTSDQKRAOBF-UHFFFAOYSA-N 0 3 352.439 0.552 20 5 FCBDHN CN(C[C@H](O)COCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549384 210355567 /nfs/dbraw/zinc/35/55/67/210355567.db2.gz TWRGSCVMJZPYPG-IRXDYDNUSA-N 0 3 364.402 0.662 20 5 FCBDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161974983 229200026 /nfs/dbraw/zinc/20/00/26/229200026.db2.gz VYMFXNYPMLVIAX-UHFFFAOYSA-N 0 3 361.406 0.960 20 5 FCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161418336 229200519 /nfs/dbraw/zinc/20/05/19/229200519.db2.gz ATRIOUBZYKADPR-UHFFFAOYSA-N 0 3 357.432 0.719 20 5 FCBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000278361424 488870757 /nfs/dbraw/zinc/87/07/57/488870757.db2.gz FGPIDXBPJLSTBA-ZDUSSCGKSA-N 0 3 364.402 0.468 20 5 FCBDHN CN1CCN(CC2(C)CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000363815578 488888349 /nfs/dbraw/zinc/88/83/49/488888349.db2.gz IHFOELQQWNHKKW-UHFFFAOYSA-N 0 3 364.450 0.667 20 5 FCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000321417207 488901582 /nfs/dbraw/zinc/90/15/82/488901582.db2.gz KNMDPKGVXUUJGG-SNVBAGLBSA-N 0 3 362.839 0.820 20 5 FCBDHN COCCN(C)CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042773825 487877539 /nfs/dbraw/zinc/87/75/39/487877539.db2.gz IXZBIJOVFVKPLX-ZDUSSCGKSA-N 0 3 366.418 0.798 20 5 FCBDHN Cc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000049278088 488094303 /nfs/dbraw/zinc/09/43/03/488094303.db2.gz OHMNOEQPDKIKPU-UHFFFAOYSA-N 0 3 363.418 0.595 20 5 FCBDHN O=C1NCCN1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051450009 488133604 /nfs/dbraw/zinc/13/36/04/488133604.db2.gz NOJGMMPIIKRZLM-OAHLLOKOSA-N 0 3 364.402 0.824 20 5 FCBDHN COC(=O)c1cnc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000364500782 488966297 /nfs/dbraw/zinc/96/62/97/488966297.db2.gz KIMQDXDBOMXTCV-AWEZNQCLSA-N 0 3 363.418 0.993 20 5 FCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(N2CCSCC2)CCCC1 ZINC000058131975 488279427 /nfs/dbraw/zinc/27/94/27/488279427.db2.gz HKYNFNLMRCVXPU-UHFFFAOYSA-N 0 3 354.436 0.664 20 5 FCBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065939392 488323031 /nfs/dbraw/zinc/32/30/31/488323031.db2.gz OPXNAEHXUHICFR-UHFFFAOYSA-N 0 3 350.354 0.916 20 5 FCBDHN CN(C)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000068341704 488363968 /nfs/dbraw/zinc/36/39/68/488363968.db2.gz NLMDEVUHDDUBHU-ZDUSSCGKSA-N 0 3 362.386 0.873 20 5 FCBDHN CN(C)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193157775 488426061 /nfs/dbraw/zinc/42/60/61/488426061.db2.gz YXGAQEQVQKHYOR-UHFFFAOYSA-N 0 3 363.418 0.030 20 5 FCBDHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000569845314 491198362 /nfs/dbraw/zinc/19/83/62/491198362.db2.gz GWQSBRJKMFOTGU-VXGBXAGGSA-N 0 3 370.431 0.377 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000268976180 488460188 /nfs/dbraw/zinc/46/01/88/488460188.db2.gz NOIYJHHGTLGZRQ-NSHDSACASA-N 0 3 350.379 0.005 20 5 FCBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569867939 491200017 /nfs/dbraw/zinc/20/00/17/491200017.db2.gz QEAVCZLDRWHCAL-GWCFXTLKSA-N 0 3 357.370 0.900 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246715222 488474903 /nfs/dbraw/zinc/47/49/03/488474903.db2.gz KUHVOCLBISBFBY-TZMCWYRMSA-N 0 3 361.406 0.570 20 5 FCBDHN CC(C)c1n[n-]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000269464287 488506066 /nfs/dbraw/zinc/50/60/66/488506066.db2.gz SVAADRDVQHQVGG-UHFFFAOYSA-N 0 3 366.422 0.724 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249529095 488511759 /nfs/dbraw/zinc/51/17/59/488511759.db2.gz ZTBWNGUGMZJKBS-YCPHGPKFSA-N 0 3 353.419 0.721 20 5 FCBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000249853685 488515026 /nfs/dbraw/zinc/51/50/26/488515026.db2.gz NYBAGXOTMAUAQS-NWDGAFQWSA-N 0 3 370.431 0.778 20 5 FCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271951932 488555351 /nfs/dbraw/zinc/55/53/51/488555351.db2.gz RHTOCFFQZVIBCX-QGZVFWFLSA-N 0 3 366.418 0.474 20 5 FCBDHN CCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262244148 488559388 /nfs/dbraw/zinc/55/93/88/488559388.db2.gz QTGGUSFNHZEXRC-GFCCVEGCSA-N 0 3 370.431 0.555 20 5 FCBDHN COC(=O)c1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc([N+](=O)[O-])c1 ZINC000262257351 488560167 /nfs/dbraw/zinc/56/01/67/488560167.db2.gz XGTYLYQBECWQHY-ZDUSSCGKSA-N 0 3 352.347 0.419 20 5 FCBDHN CC(C)C[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262306464 488563076 /nfs/dbraw/zinc/56/30/76/488563076.db2.gz MJIZLGZYKKWYRU-LBPRGKRZSA-N 0 3 372.447 0.900 20 5 FCBDHN C[C@@H](Cn1cccn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000122295873 488577332 /nfs/dbraw/zinc/57/73/32/488577332.db2.gz FWPCMTDWNAQXCQ-LBPRGKRZSA-N 0 3 353.404 0.748 20 5 FCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1 ZINC000123124481 488582550 /nfs/dbraw/zinc/58/25/50/488582550.db2.gz OFWJLYVSYJAVFB-QMMMGPOBSA-N 0 3 350.194 0.998 20 5 FCBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CN1CCN(C)CC1 ZINC000272412699 488579239 /nfs/dbraw/zinc/57/92/39/488579239.db2.gz ZLTHSDASRLLJAL-GFCCVEGCSA-N 0 3 364.402 0.937 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000570037078 491211594 /nfs/dbraw/zinc/21/15/94/491211594.db2.gz MFZORBHCHHDUIZ-INIZCTEOSA-N 0 3 357.374 0.582 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000263928714 488636715 /nfs/dbraw/zinc/63/67/15/488636715.db2.gz KPPLSSJOIYULPJ-LLVKDONJSA-N 0 3 364.402 0.932 20 5 FCBDHN NS(=O)(=O)CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264175162 488652317 /nfs/dbraw/zinc/65/23/17/488652317.db2.gz WQMKKLRKLXRIEY-UHFFFAOYSA-N 0 3 370.431 0.924 20 5 FCBDHN COCCN1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273464367 488652829 /nfs/dbraw/zinc/65/28/29/488652829.db2.gz RAXXACWTKSYCMV-CYBMUJFWSA-N 0 3 357.432 0.679 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133381054 488659322 /nfs/dbraw/zinc/65/93/22/488659322.db2.gz JUFXGEGFSCNGBB-AWEZNQCLSA-N 0 3 366.466 0.880 20 5 FCBDHN CCN1CCN(C[C@@H](C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151280396 488703639 /nfs/dbraw/zinc/70/36/39/488703639.db2.gz SHMBRWHRUIBSQH-AWEZNQCLSA-N 0 3 367.454 0.364 20 5 FCBDHN CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000280857789 489036468 /nfs/dbraw/zinc/03/64/68/489036468.db2.gz DAXAWRWBUSOPEZ-GFCCVEGCSA-N 0 3 370.431 0.426 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588885 489090709 /nfs/dbraw/zinc/09/07/09/489090709.db2.gz NDQLPONVOAAXCJ-MNOVXSKESA-N 0 3 356.404 0.517 20 5 FCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283142437 489219090 /nfs/dbraw/zinc/21/90/90/489219090.db2.gz UQBZALGMXQWIST-MRVPVSSYSA-N 0 3 357.344 0.369 20 5 FCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@]2(O)CN3CCC2CC3)c1F ZINC000563399730 491242253 /nfs/dbraw/zinc/24/22/53/491242253.db2.gz ZHCLOJLBIPBNOX-QGZVFWFLSA-N 0 3 367.377 0.858 20 5 FCBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000369781607 489275405 /nfs/dbraw/zinc/27/54/05/489275405.db2.gz HPAMGLLYZXYDOQ-RBSFLKMASA-N 0 3 354.407 0.404 20 5 FCBDHN COc1ccc(OCCN2C(C)C(=O)N(C)S2(=O)=O)c([N+](=O)[O-])c1 ZINC000283629178 489283160 /nfs/dbraw/zinc/28/31/60/489283160.db2.gz WOTMCZHDRPBFDZ-VIFPVBQESA-N 0 3 359.360 0.390 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298201084 489302864 /nfs/dbraw/zinc/30/28/64/489302864.db2.gz XVCLJLLYNVXZMD-LLVKDONJSA-N 0 3 360.370 0.791 20 5 FCBDHN CC1(C)NC(=O)N(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000370061212 489312168 /nfs/dbraw/zinc/31/21/68/489312168.db2.gz SOABFHHWTMOFIU-UHFFFAOYSA-N 0 3 350.379 0.759 20 5 FCBDHN CC(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489924335 489735910 /nfs/dbraw/zinc/73/59/10/489735910.db2.gz LTRRLTUVTDIKFV-AWEZNQCLSA-N 0 3 370.431 0.411 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCNS(=O)(=O)N(C)C ZINC000459539117 489737774 /nfs/dbraw/zinc/73/77/74/489737774.db2.gz PIXMPROOBLFEIT-NSHDSACASA-N 0 3 373.435 0.298 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000418955444 489803145 /nfs/dbraw/zinc/80/31/45/489803145.db2.gz YDUODUBHNIZJNS-ZDUSSCGKSA-N 0 3 350.375 0.559 20 5 FCBDHN Cc1c(C(=O)N2CCNC(C)(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000477317637 489957895 /nfs/dbraw/zinc/95/78/95/489957895.db2.gz AMEBUJZSQOOERV-UHFFFAOYSA-N 0 3 356.404 0.375 20 5 FCBDHN CN1CCC[C@@H](N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000378173469 490022085 /nfs/dbraw/zinc/02/20/85/490022085.db2.gz BWAYBWWCVGBIIH-CQSZACIVSA-N 0 3 365.438 0.213 20 5 FCBDHN CN1CCN(CCCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000532638516 490089207 /nfs/dbraw/zinc/08/92/07/490089207.db2.gz VMAUMBOMWQZXAC-UHFFFAOYSA-N 0 3 353.427 0.118 20 5 FCBDHN CCOC(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000545863013 490159003 /nfs/dbraw/zinc/15/90/03/490159003.db2.gz LZHHALYSELLUER-MRXNPFEDSA-N 0 3 351.359 0.568 20 5 FCBDHN COC(=O)COc1ccc(CN[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447067429 490186603 /nfs/dbraw/zinc/18/66/03/490186603.db2.gz KFCMBSNXUFFRNY-INIZCTEOSA-N 0 3 354.359 0.778 20 5 FCBDHN Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000521371300 490255129 /nfs/dbraw/zinc/25/51/29/490255129.db2.gz BNVJDHZZPBSWOL-VXGBXAGGSA-N 0 3 368.415 0.144 20 5 FCBDHN N[C@@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498216610 490273877 /nfs/dbraw/zinc/27/38/77/490273877.db2.gz PVNNIVMFJYFHCL-LBPRGKRZSA-N 0 3 356.329 0.862 20 5 FCBDHN CS(=O)(=O)c1cc(C(=O)NCCNc2ccncc2)cc([N+](=O)[O-])c1 ZINC000533810166 490284001 /nfs/dbraw/zinc/28/40/01/490284001.db2.gz DYTROFHNLXYXKW-UHFFFAOYSA-N 0 3 364.383 0.657 20 5 FCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000521676633 490289787 /nfs/dbraw/zinc/28/97/87/490289787.db2.gz CZRSHBGZUAVTKV-CYBMUJFWSA-N 0 3 361.402 0.747 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000533939816 490301117 /nfs/dbraw/zinc/30/11/17/490301117.db2.gz WETXKMQWORFDKU-UHFFFAOYSA-N 0 3 355.391 0.855 20 5 FCBDHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000521853315 490303279 /nfs/dbraw/zinc/30/32/79/490303279.db2.gz RFDOPIVVGWRMNS-OAHLLOKOSA-N 0 3 364.402 0.742 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000521963044 490316886 /nfs/dbraw/zinc/31/68/86/490316886.db2.gz CIHFJQRTFHVUIC-HNNXBMFYSA-N 0 3 363.418 0.995 20 5 FCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000411357481 490438567 /nfs/dbraw/zinc/43/85/67/490438567.db2.gz ROLFYAHTCHXJAE-INIZCTEOSA-N 0 3 350.375 0.333 20 5 FCBDHN C[C@@H](CO)N1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000468749562 490442791 /nfs/dbraw/zinc/44/27/91/490442791.db2.gz NGNVZBIIGKDMGJ-NSHDSACASA-N 0 3 358.420 0.135 20 5 FCBDHN C[NH2+][C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422769757 490475303 /nfs/dbraw/zinc/47/53/03/490475303.db2.gz PLFOPTCEINUOKG-LLVKDONJSA-N 0 3 356.404 0.084 20 5 FCBDHN O=C(CCNCCNC(=O)c1cnccn1)Nc1ccccc1[N+](=O)[O-] ZINC000564849938 491331248 /nfs/dbraw/zinc/33/12/48/491331248.db2.gz YYLYNCLMIARBLW-UHFFFAOYSA-N 0 3 358.358 0.733 20 5 FCBDHN O=C1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000564873197 491332376 /nfs/dbraw/zinc/33/23/76/491332376.db2.gz LUMYQLQUZCAMAO-GFCCVEGCSA-N 0 3 367.427 0.969 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511644436 490612711 /nfs/dbraw/zinc/61/27/11/490612711.db2.gz CIYIYEPSIGDCPK-MVWJERBFSA-N 0 3 352.313 0.645 20 5 FCBDHN COCCN(C)C[C@@H](O)Cn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000565223855 491361593 /nfs/dbraw/zinc/36/15/93/491361593.db2.gz BMLAEVNDKBJHHB-LLVKDONJSA-N 0 3 370.793 0.897 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000557258100 491362808 /nfs/dbraw/zinc/36/28/08/491362808.db2.gz DBHLJQFDOHMICD-GXTWGEPZSA-N 0 3 363.418 0.182 20 5 FCBDHN C[C@@]1(C[NH3+])CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516771805 490877834 /nfs/dbraw/zinc/87/78/34/490877834.db2.gz ZSFUOZKIVWLSKX-AWEZNQCLSA-N 0 3 356.404 0.070 20 5 FCBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000516938232 490886067 /nfs/dbraw/zinc/88/60/67/490886067.db2.gz LRBKWSGCDIZUBQ-WCBMZHEXSA-N 0 3 374.806 0.181 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000516938221 490886239 /nfs/dbraw/zinc/88/62/39/490886239.db2.gz LRBKWSGCDIZUBQ-PSASIEDQSA-N 0 3 374.806 0.181 20 5 FCBDHN CC1(C)C(=O)N[C@H]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517069049 490894045 /nfs/dbraw/zinc/89/40/45/490894045.db2.gz TWWWHHMSRJKKPK-KGLIPLIRSA-N 0 3 351.407 0.389 20 5 FCBDHN CCOc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000517391797 490907487 /nfs/dbraw/zinc/90/74/87/490907487.db2.gz MWMBVPQOJUJSSB-NSHDSACASA-N 0 3 352.391 0.790 20 5 FCBDHN CN(C)CCN1C[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000530577510 490914054 /nfs/dbraw/zinc/91/40/54/490914054.db2.gz BZMUFDNGYBDWOS-ZDUSSCGKSA-N 0 3 364.402 0.500 20 5 FCBDHN COC(=O)[C@H](C)NC(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000543434721 490932772 /nfs/dbraw/zinc/93/27/72/490932772.db2.gz GNLLKRRODVRDSQ-JTQLQIEISA-N 0 3 350.375 0.636 20 5 FCBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000543434722 490933089 /nfs/dbraw/zinc/93/30/89/490933089.db2.gz GNLLKRRODVRDSQ-SNVBAGLBSA-N 0 3 350.375 0.636 20 5 FCBDHN COC(=O)c1cc(C(=O)N(CCN(C)C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000531118647 490941819 /nfs/dbraw/zinc/94/18/19/490941819.db2.gz IUAIVUCQIIWTMK-UHFFFAOYSA-N 0 3 366.418 0.947 20 5 FCBDHN COc1ccc(NC(=O)CCN2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000519680731 490983755 /nfs/dbraw/zinc/98/37/55/490983755.db2.gz VDZXYKGQCGJBNT-XHDPSFHLSA-N 0 3 353.375 0.607 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)C2CCOCC2)cc1 ZINC000565442603 491377105 /nfs/dbraw/zinc/37/71/05/491377105.db2.gz BGJYBGHWPOCPIK-HNNXBMFYSA-N 0 3 358.416 0.746 20 5 FCBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558752971 491445329 /nfs/dbraw/zinc/44/53/29/491445329.db2.gz BQOQBRZUSUVQRN-DZGCQCFKSA-N 0 3 359.386 0.931 20 5 FCBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@]1(O)CN2CCC1CC2 ZINC000574337267 491489822 /nfs/dbraw/zinc/48/98/22/491489822.db2.gz DSNORITUFKYKBS-INIZCTEOSA-N 0 3 355.341 0.988 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000559753109 491496108 /nfs/dbraw/zinc/49/61/08/491496108.db2.gz FAFVHOLCALAADE-UHFFFAOYSA-N 0 3 368.409 0.854 20 5 FCBDHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000567583706 491515212 /nfs/dbraw/zinc/51/52/12/491515212.db2.gz HMNWTBHBRGCIIN-LLVKDONJSA-N 0 3 356.404 0.165 20 5 FCBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000567678369 491522436 /nfs/dbraw/zinc/52/24/36/491522436.db2.gz QUMDDTKMQCTYBO-OAHLLOKOSA-N 0 3 360.370 0.749 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000560325143 491531483 /nfs/dbraw/zinc/53/14/83/491531483.db2.gz CYOMQQHDVBUZCA-LBPRGKRZSA-N 0 3 365.386 0.943 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000576000610 491575020 /nfs/dbraw/zinc/57/50/20/491575020.db2.gz GFXAIZGBYWLEHG-ZDUSSCGKSA-N 0 3 362.434 0.813 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000568410187 491575044 /nfs/dbraw/zinc/57/50/44/491575044.db2.gz DWAZSNZJFMHNDD-KBPBESRZSA-N 0 3 352.391 0.539 20 5 FCBDHN NCc1cn([C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577107448 491590070 /nfs/dbraw/zinc/59/00/70/491590070.db2.gz MPIHINUHBZVSGK-CYBMUJFWSA-N 0 3 360.374 0.888 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000576352396 491607572 /nfs/dbraw/zinc/60/75/72/491607572.db2.gz SLARRPSCQBMGBV-UHFFFAOYSA-N 0 3 351.359 0.859 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000577275323 491608455 /nfs/dbraw/zinc/60/84/55/491608455.db2.gz UUBHIIZSSMDTQZ-BPUTZDHNSA-N 0 3 367.402 0.560 20 5 FCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H](CN)C1 ZINC000577398718 491619291 /nfs/dbraw/zinc/61/92/91/491619291.db2.gz CSEFOOGPTAREDQ-NSHDSACASA-N 0 3 365.415 0.406 20 5 FCBDHN CN(C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000579052305 491690055 /nfs/dbraw/zinc/69/00/55/491690055.db2.gz DIHGJCXQMAXBGD-ZDUSSCGKSA-N 0 3 368.459 0.869 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579242625 491693830 /nfs/dbraw/zinc/69/38/30/491693830.db2.gz NLZNCZQXVBNNHM-KBPBESRZSA-N 0 3 352.391 0.539 20 5 FCBDHN CN1CCC(NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000585687653 491721982 /nfs/dbraw/zinc/72/19/82/491721982.db2.gz ZBRCPZSWVCOUOX-UHFFFAOYSA-N 0 3 360.374 0.298 20 5 FCBDHN NC(=O)c1cccc(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000587866720 491736423 /nfs/dbraw/zinc/73/64/23/491736423.db2.gz QPCRUHFOWWKRFA-UHFFFAOYSA-N 0 3 361.402 0.438 20 5 FCBDHN O=C(CCNC[C@H]1CS(=O)(=O)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000580947198 491752777 /nfs/dbraw/zinc/75/27/77/491752777.db2.gz JKNVPKNWFZVHPR-NSHDSACASA-N 0 3 357.388 0.327 20 5 FCBDHN Cc1c(NC(=O)CCN2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440522 491773380 /nfs/dbraw/zinc/77/33/80/491773380.db2.gz ISVJCMLOJBLXQY-QWHCGFSZSA-N 0 3 361.402 0.476 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590371956 491774286 /nfs/dbraw/zinc/77/42/86/491774286.db2.gz RIDDKXQFYBRARO-ZDUSSCGKSA-N 0 3 359.386 0.967 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)CN2CCCCC2)c1 ZINC000582122333 491798901 /nfs/dbraw/zinc/79/89/01/491798901.db2.gz KGMOSJQGMRBSRT-GOEBONIOSA-N 0 3 353.419 0.771 20 5 FCBDHN CN(CC(C)(C)[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595262470 491908876 /nfs/dbraw/zinc/90/88/76/491908876.db2.gz LOFZVLIFGQVYDB-UHFFFAOYSA-N 0 3 373.435 0.252 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(CO)CC1 ZINC000595732769 491950826 /nfs/dbraw/zinc/95/08/26/491950826.db2.gz NUPFSERMQNZLSG-UHFFFAOYSA-N 0 3 353.375 0.751 20 5 FCBDHN CC(C)[C@H]([NH3+])CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595979483 491967697 /nfs/dbraw/zinc/96/76/97/491967697.db2.gz AJIQBHDUTFCJHV-LLVKDONJSA-N 0 3 358.420 0.363 20 5 FCBDHN CN(C)CCOC1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596125302 491976349 /nfs/dbraw/zinc/97/63/49/491976349.db2.gz NKNNQMOLKLMZTP-UHFFFAOYSA-N 0 3 372.447 0.789 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000596259437 491981603 /nfs/dbraw/zinc/98/16/03/491981603.db2.gz SEFBQVREGMVDKT-GFCCVEGCSA-N 0 3 358.420 0.501 20 5 FCBDHN CN1CCN(CC2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)CC1 ZINC000597695526 492059950 /nfs/dbraw/zinc/05/99/50/492059950.db2.gz SRMQCEKVRZYSNX-UHFFFAOYSA-N 0 3 362.386 0.643 20 5 FCBDHN CCCN1CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341904 492095570 /nfs/dbraw/zinc/09/55/70/492095570.db2.gz IAOMSGCLLYBIRB-AWEZNQCLSA-N 0 3 363.418 0.995 20 5 FCBDHN CC(C)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000598572886 492105276 /nfs/dbraw/zinc/10/52/76/492105276.db2.gz MKEJSKVLJMDCEZ-LBPRGKRZSA-N 0 3 370.431 0.330 20 5 FCBDHN COC(=O)c1ccnc(N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000598598469 492107274 /nfs/dbraw/zinc/10/72/74/492107274.db2.gz RYFHNVVFSPUQMT-ZDUSSCGKSA-N 0 3 363.418 0.993 20 5 FCBDHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598721541 492115994 /nfs/dbraw/zinc/11/59/94/492115994.db2.gz XCCFWDGMZGJDNB-NEPJUHHUSA-N 0 3 368.415 0.144 20 5 FCBDHN C[C@]1(CO)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599624808 492194691 /nfs/dbraw/zinc/19/46/91/492194691.db2.gz WTKXTBJRQADGTO-OIISXLGYSA-N 0 3 354.403 0.647 20 5 FCBDHN CS(=O)(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618618683 492232490 /nfs/dbraw/zinc/23/24/90/492232490.db2.gz KUNDHEMSAUJNTE-UHFFFAOYSA-N 0 3 353.404 0.985 20 5 FCBDHN CN(C)CCN(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000443209931 535848818 /nfs/dbraw/zinc/84/88/18/535848818.db2.gz GZARKFSPPSLHBP-UHFFFAOYSA-N 0 3 358.420 0.283 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000547275982 546903904 /nfs/dbraw/zinc/90/39/04/546903904.db2.gz RSQWJRCKXBAKFW-MRXNPFEDSA-N 0 3 351.359 0.091 20 5 FCBDHN CCNC(=O)N1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591754266 546939964 /nfs/dbraw/zinc/93/99/64/546939964.db2.gz FURBXTQBSIYHLI-CHWSQXEVSA-N 0 3 352.391 0.728 20 5 FCBDHN COC(=O)[C@H]1CNCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592487724 546951864 /nfs/dbraw/zinc/95/18/64/546951864.db2.gz YJTGTLYTEKLAMH-CQSZACIVSA-N 0 3 371.415 0.205 20 5 FCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594765296 547006888 /nfs/dbraw/zinc/00/68/88/547006888.db2.gz JQGIHSHYHUJGON-HNNXBMFYSA-N 0 3 368.415 0.734 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000553789636 547332524 /nfs/dbraw/zinc/33/25/24/547332524.db2.gz NWWPOMSRFUVEDT-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652242 606102159 /nfs/dbraw/zinc/10/21/59/606102159.db2.gz XJSHCGSJOXDAHC-LLVKDONJSA-N 0 3 360.378 0.328 20 5 FCBDHN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCC1 ZINC000981764638 664838853 /nfs/dbraw/zinc/83/88/53/664838853.db2.gz WLJLJDOCWYKDNC-ZIAGYGMSSA-N 0 3 350.419 0.198 20 5 FCBDHN O=C1NCC2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)O1 ZINC000781994422 668542249 /nfs/dbraw/zinc/54/22/49/668542249.db2.gz PMLAIZXMCFDQFE-GFCCVEGCSA-N 0 3 351.359 0.909 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797687 668732402 /nfs/dbraw/zinc/73/24/02/668732402.db2.gz CALKYNXLBNXZGN-QWRGUYRKSA-N 0 3 356.404 0.517 20 5 FCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813101601 669827323 /nfs/dbraw/zinc/82/73/23/669827323.db2.gz DYHVVXDUUUMTTD-LLVKDONJSA-N 0 3 358.372 0.530 20 5 FCBDHN CC(COC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[N+](=O)[O-] ZINC000813110488 669827671 /nfs/dbraw/zinc/82/76/71/669827671.db2.gz BRSLHYWZAIXFRX-LBPRGKRZSA-N 0 3 356.400 0.739 20 5 FCBDHN CC(COC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813115517 669828192 /nfs/dbraw/zinc/82/81/92/669828192.db2.gz UKFSRXCLUKEXPU-RFAUZJTJSA-N 0 3 353.306 0.801 20 5 FCBDHN CC(COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[N+](=O)[O-] ZINC000813111399 669828382 /nfs/dbraw/zinc/82/83/82/669828382.db2.gz TVMLADRGTPSVJJ-LLVKDONJSA-N 0 3 357.388 0.691 20 5 FCBDHN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114615 669828465 /nfs/dbraw/zinc/82/84/65/669828465.db2.gz UKBQINMTSMHRCK-NSHDSACASA-N 0 3 360.388 0.962 20 5 FCBDHN CN1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000831778940 669867545 /nfs/dbraw/zinc/86/75/45/669867545.db2.gz YHXXMXXGPNDCAX-HNNXBMFYSA-N 0 3 350.419 0.770 20 5 FCBDHN C[NH+]1CCC(O[N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000846650751 671135509 /nfs/dbraw/zinc/13/55/09/671135509.db2.gz DBOUNWODDHQBTA-UHFFFAOYSA-N 0 3 357.388 0.754 20 5 FCBDHN CN(C)CCONC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000854945466 671618329 /nfs/dbraw/zinc/61/83/29/671618329.db2.gz RUUGBOAZFXMBLF-UHFFFAOYSA-N 0 3 350.331 0.471 20 5 FCBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000863319850 672113417 /nfs/dbraw/zinc/11/34/17/672113417.db2.gz RXKWZZLKWQBRBA-CYBMUJFWSA-N 0 3 352.347 0.618 20 5 FCBDHN O=C(NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccoc1 ZINC001055574997 676024794 /nfs/dbraw/zinc/02/47/94/676024794.db2.gz HTANQGDJZHJIBX-ZIAGYGMSSA-N 0 3 350.375 0.255 20 5 FCBDHN Cc1cncn1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988571251 1192303664 /nfs/dbraw/zinc/30/36/64/1192303664.db2.gz IUDNLTFKWPGUIC-HUUCEWRRSA-N 0 3 363.418 0.554 20 5 FCBDHN O=C(N[C@H]1C[C@@H](NCc2nnc(C3CC3)n2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063748 1170549208 /nfs/dbraw/zinc/54/92/08/1170549208.db2.gz LCNJIGXOMAOQRS-ZMJPVWNMSA-N 0 3 360.418 0.892 20 5 FCBDHN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC000981764717 1186513931 /nfs/dbraw/zinc/51/39/31/1186513931.db2.gz ACMORNXAKBOYBT-HUUCEWRRSA-N 0 3 364.446 0.589 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000593606006 1196807864 /nfs/dbraw/zinc/80/78/64/1196807864.db2.gz NGASTGPTKOLLRS-SFHVURJKSA-N 0 3 373.413 0.944 20 5 FCBDHN O=C(NC1CC1)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036895 1202940002 /nfs/dbraw/zinc/94/00/02/1202940002.db2.gz ATJQGAUMSIEIOT-DZGCQCFKSA-N 0 3 367.406 0.895 20 5 FCBDHN CN1CCN(CC2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000854643836 1209637815 /nfs/dbraw/zinc/63/78/15/1209637815.db2.gz YRJZZOZONYMOHF-UHFFFAOYSA-N 0 3 366.393 0.819 20 5 FCBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@H]3CO2)ncnc1N1CCOCC1 ZINC000856726429 1209727033 /nfs/dbraw/zinc/72/70/33/1209727033.db2.gz GJVDETOUCOJVIV-QWHCGFSZSA-N 0 3 364.406 0.497 20 5 FCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3noc4c3COCC4)C[C@H]2C1 ZINC001048813000 1218318535 /nfs/dbraw/zinc/31/85/35/1218318535.db2.gz VFTHXVGEBYJUFR-NWJSVONSSA-N 0 3 362.386 0.303 20 5 FCBDHN CCOC(=O)c1ccnc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001155399554 1223035307 /nfs/dbraw/zinc/03/53/07/1223035307.db2.gz ALLPLJAKPCYLDV-UHFFFAOYSA-N 0 3 361.362 0.863 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275255 1245307961 /nfs/dbraw/zinc/30/79/61/1245307961.db2.gz GLASCBSKHRJGSU-QGZVFWFLSA-N 0 3 362.430 0.868 20 5 FCBDHN O=C(CC1CC1)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079155307 1255462030 /nfs/dbraw/zinc/46/20/30/1255462030.db2.gz UOSUQPAESMMNNK-HZPDHXFCSA-N 0 3 366.462 0.882 20 5 FCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCCCc2c[nH]nn2)C1 ZINC001079747055 1255591383 /nfs/dbraw/zinc/59/13/83/1255591383.db2.gz RPYQFFPUQBHXTK-ZIAGYGMSSA-N 0 3 364.406 0.242 20 5 FCBDHN CCOC(=O)[C@@H]1CNCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001261492197 1260150200 /nfs/dbraw/zinc/15/02/00/1260150200.db2.gz UQDGKQVRFQEOCD-ZDUSSCGKSA-N 0 3 361.358 0.982 20 5 FCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546412 1263198974 /nfs/dbraw/zinc/19/89/74/1263198974.db2.gz VNPCNZVGWOTKOC-DZGCQCFKSA-N 0 3 366.418 0.769 20 5 FCBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281572 1264610782 /nfs/dbraw/zinc/61/07/82/1264610782.db2.gz VTDFJTMXXWLXNT-OLZOCXBDSA-N 0 3 366.422 0.144 20 5 FCBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001325927085 1265024568 /nfs/dbraw/zinc/02/45/68/1265024568.db2.gz PAZYKVLRHFXTOH-XJKSGUPXSA-N 0 3 358.398 0.990 20 5 FCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001327436111 1265321253 /nfs/dbraw/zinc/32/12/53/1265321253.db2.gz ILIATRRDBBGQGZ-HUUCEWRRSA-N 0 3 362.386 0.190 20 5 FCBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001344031613 1270079444 /nfs/dbraw/zinc/07/94/44/1270079444.db2.gz LZKNBXFOWGIYBJ-KBPBESRZSA-N 0 3 372.385 0.457 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]C[C@H]2O)c(C(F)(F)F)c1 ZINC001580875154 1279080174 /nfs/dbraw/zinc/08/01/74/1279080174.db2.gz BIVSQTLIPVODSU-RKDXNWHRSA-N 0 3 355.294 0.225 20 5 FCBDHN COc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1nnn[n-]1 ZINC001591537052 1284721287 /nfs/dbraw/zinc/72/12/87/1284721287.db2.gz OYNIKVWMAIGFOR-GFCCVEGCSA-N 0 3 374.361 0.131 20 5 FCBDHN COc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1nn[n-]n1 ZINC001591537052 1284721299 /nfs/dbraw/zinc/72/12/99/1284721299.db2.gz OYNIKVWMAIGFOR-GFCCVEGCSA-N 0 3 374.361 0.131 20 5 FCBDHN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801128 1287785152 /nfs/dbraw/zinc/78/51/52/1287785152.db2.gz JUGGCXFZRSYJMX-NSHDSACASA-N 0 3 364.391 0.526 20 5 FCBDHN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801128 1287785157 /nfs/dbraw/zinc/78/51/57/1287785157.db2.gz JUGGCXFZRSYJMX-NSHDSACASA-N 0 3 364.391 0.526 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592720569 1285621041 /nfs/dbraw/zinc/62/10/41/1285621041.db2.gz NCNZAQBXGHRLGL-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592720569 1285621051 /nfs/dbraw/zinc/62/10/51/1285621051.db2.gz NCNZAQBXGHRLGL-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592720569 1285621056 /nfs/dbraw/zinc/62/10/56/1285621056.db2.gz NCNZAQBXGHRLGL-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592720569 1285621063 /nfs/dbraw/zinc/62/10/63/1285621063.db2.gz NCNZAQBXGHRLGL-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001607083451 1288652331 /nfs/dbraw/zinc/65/23/31/1288652331.db2.gz GURXNVJXDACJAV-GFCCVEGCSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001607083451 1288652334 /nfs/dbraw/zinc/65/23/34/1288652334.db2.gz GURXNVJXDACJAV-GFCCVEGCSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001607083451 1288652339 /nfs/dbraw/zinc/65/23/39/1288652339.db2.gz GURXNVJXDACJAV-GFCCVEGCSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001607083451 1288652343 /nfs/dbraw/zinc/65/23/43/1288652343.db2.gz GURXNVJXDACJAV-GFCCVEGCSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086010 1288653232 /nfs/dbraw/zinc/65/32/32/1288653232.db2.gz HCTCBCNFWDAVCT-CHWSQXEVSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086010 1288653234 /nfs/dbraw/zinc/65/32/34/1288653234.db2.gz HCTCBCNFWDAVCT-CHWSQXEVSA-N 0 3 360.378 0.205 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502014 1289183873 /nfs/dbraw/zinc/18/38/73/1289183873.db2.gz DKYPKZDLNSJSFU-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502014 1289183877 /nfs/dbraw/zinc/18/38/77/1289183877.db2.gz DKYPKZDLNSJSFU-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502014 1289183880 /nfs/dbraw/zinc/18/38/80/1289183880.db2.gz DKYPKZDLNSJSFU-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502014 1289183889 /nfs/dbraw/zinc/18/38/89/1289183889.db2.gz DKYPKZDLNSJSFU-NSHDSACASA-N 0 3 374.405 0.774 20 5 FCBDHN O=C(Cc1n[nH]c2c1CCCC2)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689326390 1294750801 /nfs/dbraw/zinc/75/08/01/1294750801.db2.gz PQPCQFQDUKJDCU-RRSPZVPKSA-N 0 3 361.402 0.285 20 5 FCBDHN COCc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086082808 842118259 /nfs/dbraw/zinc/11/82/59/842118259.db2.gz DWGZOPQZXOKELI-LYIQGSDWSA-N 0 3 354.432 0.939 20 5 FCBDHN COc1cc(CNCC2(O)CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1OC ZINC001117104129 846891313 /nfs/dbraw/zinc/89/13/13/846891313.db2.gz IFSIKGKSTBDNDQ-UHFFFAOYSA-N 0 3 374.415 0.641 20 5 FCBDHN O=C(NCCCNCc1nnc(C(F)(F)F)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767043 849991524 /nfs/dbraw/zinc/99/15/24/849991524.db2.gz FERAVCUQLMQZCI-RNFRBKRXSA-N 0 3 353.326 0.818 20 5 FCBDHN CC(C)(C)NC(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160096919 850153806 /nfs/dbraw/zinc/15/38/06/850153806.db2.gz AQVNQMGZWFGFBQ-ZIAGYGMSSA-N 0 3 352.435 0.705 20 5 FCBDHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020169 850602369 /nfs/dbraw/zinc/60/23/69/850602369.db2.gz KBVPHRRVMCQBRZ-RUCLQGLUSA-N 0 3 355.435 0.768 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC001343482135 870449723 /nfs/dbraw/zinc/44/97/23/870449723.db2.gz XPCPHFMLSPQHCE-UONOGXRCSA-N 0 3 350.379 0.321 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C ZINC000292486662 214103155 /nfs/dbraw/zinc/10/31/55/214103155.db2.gz CFBCDRVAULAHFT-SNVBAGLBSA-N 0 3 359.404 0.857 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C ZINC000292486657 214104207 /nfs/dbraw/zinc/10/42/07/214104207.db2.gz CFBCDRVAULAHFT-JTQLQIEISA-N 0 3 359.404 0.857 20 5 FCBDHN COc1cc(OCC(=O)N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295344093 214291750 /nfs/dbraw/zinc/29/17/50/214291750.db2.gz DVDKHUZTDSXMSI-ZDUSSCGKSA-N 0 3 367.402 0.945 20 5 FCBDHN CN(CC(=O)N1CCCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265666365 210192570 /nfs/dbraw/zinc/19/25/70/210192570.db2.gz ZZEFJJHCRMQFPO-UHFFFAOYSA-N 0 3 370.431 0.379 20 5 FCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000265372970 210109802 /nfs/dbraw/zinc/10/98/02/210109802.db2.gz OQHQVTPPIIGEBG-DOMZBBRYSA-N 0 3 364.402 0.502 20 5 FCBDHN C[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332163517 215103340 /nfs/dbraw/zinc/10/33/40/215103340.db2.gz QJPPNLDGNPQIFC-VXGBXAGGSA-N 0 3 362.386 0.919 20 5 FCBDHN CS(=O)(=O)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCNCC1 ZINC000262577060 209616390 /nfs/dbraw/zinc/61/63/90/209616390.db2.gz TVWPXYUPSSLISX-UHFFFAOYSA-N 0 3 355.416 0.420 20 5 FCBDHN CC[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000368659912 216278155 /nfs/dbraw/zinc/27/81/55/216278155.db2.gz PSULVXXQSJSBEC-HNNXBMFYSA-N 0 3 370.431 0.522 20 5 FCBDHN COC(=O)c1cnc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000189287146 209248348 /nfs/dbraw/zinc/24/83/48/209248348.db2.gz DZDIDPQZLXULJR-UHFFFAOYSA-N 0 3 351.407 0.850 20 5 FCBDHN CCN(C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276816867 212293744 /nfs/dbraw/zinc/29/37/44/212293744.db2.gz FFSLDJQXPJVGQM-UHFFFAOYSA-N 0 3 366.374 0.696 20 5 FCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000276083606 212155920 /nfs/dbraw/zinc/15/59/20/212155920.db2.gz GPQVPWMGNRCJQR-NSHDSACASA-N 0 3 371.415 0.954 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000290660768 213981350 /nfs/dbraw/zinc/98/13/50/213981350.db2.gz CIHAGBINSJFDJO-MRXNPFEDSA-N 0 3 352.391 0.525 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184313524 209160730 /nfs/dbraw/zinc/16/07/30/209160730.db2.gz HGKOVCYVKRJOHW-CYBMUJFWSA-N 0 3 352.439 0.632 20 5 FCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000374801747 217175952 /nfs/dbraw/zinc/17/59/52/217175952.db2.gz ONWKYVIKTGTHRP-KRWDZBQOSA-N 0 3 365.430 0.787 20 5 FCBDHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000183156070 209143156 /nfs/dbraw/zinc/14/31/56/209143156.db2.gz NQYYDDOZPWHXAK-HUUCEWRRSA-N 0 3 362.430 0.946 20 5 FCBDHN COc1ccc([C@H](CCO)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182413629 209131042 /nfs/dbraw/zinc/13/10/42/209131042.db2.gz GCZQUXYCEXECLL-ZBFHGGJFSA-N 0 3 350.375 0.874 20 5 FCBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419350461 246111986 /nfs/dbraw/zinc/11/19/86/246111986.db2.gz NPMJLJXXUQUHLT-HNNXBMFYSA-N 0 3 364.402 0.138 20 5 FCBDHN Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC000419435691 246162165 /nfs/dbraw/zinc/16/21/65/246162165.db2.gz AMSHMLASGGSAOR-LBPRGKRZSA-N 0 3 351.407 0.627 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000423701410 247115025 /nfs/dbraw/zinc/11/50/25/247115025.db2.gz VRNDZTOZMCCLHR-LBPRGKRZSA-N 0 3 356.329 0.746 20 5 FCBDHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423621671 247078308 /nfs/dbraw/zinc/07/83/08/247078308.db2.gz YFKAZMHQQFUBCS-QWRGUYRKSA-N 0 3 356.404 0.130 20 5 FCBDHN CC1(C)[NH2+]CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423741790 247135249 /nfs/dbraw/zinc/13/52/49/247135249.db2.gz TWJHIWITHCZFLV-GFCCVEGCSA-N 0 3 356.404 0.130 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440513994 248194228 /nfs/dbraw/zinc/19/42/28/248194228.db2.gz PRDAWRCWCRNMFE-KRWDZBQOSA-N 0 3 359.386 0.545 20 5 FCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000452346225 249310671 /nfs/dbraw/zinc/31/06/71/249310671.db2.gz GOEBYQIJXCYJRJ-HNNXBMFYSA-N 0 3 374.401 0.752 20 5 FCBDHN CS[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271010870 211316084 /nfs/dbraw/zinc/31/60/84/211316084.db2.gz GWGCBHKIEPEESQ-KBPBESRZSA-N 0 3 366.443 0.829 20 5 FCBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583693 211228224 /nfs/dbraw/zinc/22/82/24/211228224.db2.gz RGQVLDSRDCIBLZ-KBPBESRZSA-N 0 3 366.418 0.620 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270335669 211187187 /nfs/dbraw/zinc/18/71/87/211187187.db2.gz CVZIHUTVAKELLU-KBPBESRZSA-N 0 3 374.488 0.985 20 5 FCBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000074137827 208051242 /nfs/dbraw/zinc/05/12/42/208051242.db2.gz XGIXFBLXGILHDR-AWEZNQCLSA-N 0 3 350.419 0.973 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000068467989 208027371 /nfs/dbraw/zinc/02/73/71/208027371.db2.gz ANULURLXFZSOHQ-UHFFFAOYSA-N 0 3 364.450 0.586 20 5 FCBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266718043 210388476 /nfs/dbraw/zinc/38/84/76/210388476.db2.gz GRSHVYRDEODLEI-AAEUAGOBSA-N 0 3 357.411 0.997 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000178477113 209050870 /nfs/dbraw/zinc/05/08/70/209050870.db2.gz VXMPKRGPMJQJPK-DOTOQJQBSA-N 0 3 365.430 0.989 20 5 FCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC000278445635 488875471 /nfs/dbraw/zinc/87/54/71/488875471.db2.gz VJQXHXIZIOPVJX-PHIMTYICSA-N 0 3 369.399 0.548 20 5 FCBDHN C[C@@H](CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C1CC1 ZINC000287761087 488903236 /nfs/dbraw/zinc/90/32/36/488903236.db2.gz HLVPGJWACAODJR-JTQLQIEISA-N 0 3 374.401 0.686 20 5 FCBDHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041719823 487838642 /nfs/dbraw/zinc/83/86/42/487838642.db2.gz CKYBNBFOTLHZDW-UHFFFAOYSA-N 0 3 363.418 0.677 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288261030 488962839 /nfs/dbraw/zinc/96/28/39/488962839.db2.gz BXWNJXUWNQTGCW-LBPRGKRZSA-N 0 3 374.401 0.688 20 5 FCBDHN C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000046408683 487980815 /nfs/dbraw/zinc/98/08/15/487980815.db2.gz QGRKGJRAGOYVPS-LBPRGKRZSA-N 0 3 362.386 0.921 20 5 FCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000268214806 488397203 /nfs/dbraw/zinc/39/72/03/488397203.db2.gz PIMNVVUTUSFVKE-GWCFXTLKSA-N 0 3 372.381 0.790 20 5 FCBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000268482154 488422981 /nfs/dbraw/zinc/42/29/81/488422981.db2.gz ZAIAGZNCJHZXQK-GFCCVEGCSA-N 0 3 352.439 0.884 20 5 FCBDHN CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000268845707 488452866 /nfs/dbraw/zinc/45/28/66/488452866.db2.gz PNHFHSZJLJPJGI-NSHDSACASA-N 0 3 358.420 0.330 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269176818 488476190 /nfs/dbraw/zinc/47/61/90/488476190.db2.gz YUXPLRXDWRIPCJ-UHFFFAOYSA-N 0 3 359.390 0.933 20 5 FCBDHN COc1cc(CCNC(=O)C[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000269215586 488479666 /nfs/dbraw/zinc/47/96/66/488479666.db2.gz UYLPAUSQBRHOJU-GFCCVEGCSA-N 0 3 353.375 0.649 20 5 FCBDHN CN(C)CCn1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000109537543 488523574 /nfs/dbraw/zinc/52/35/74/488523574.db2.gz LKKSWKYZAQBSFJ-UHFFFAOYSA-N 0 3 360.374 0.721 20 5 FCBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000271669147 488537237 /nfs/dbraw/zinc/53/72/37/488537237.db2.gz WNMOQPGNASTPHJ-RYUDHWBXSA-N 0 3 360.461 0.724 20 5 FCBDHN NC(=O)c1ccc(NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000114450819 488541034 /nfs/dbraw/zinc/54/10/34/488541034.db2.gz NLKOGMKKWTUMLM-UHFFFAOYSA-N 0 3 365.434 0.496 20 5 FCBDHN [NH3+][C@@H]1CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262264145 488560098 /nfs/dbraw/zinc/56/00/98/488560098.db2.gz GXHQQWNGOQXNTK-NWDGAFQWSA-N 0 3 370.431 0.507 20 5 FCBDHN COCCN(C)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000263815286 488628965 /nfs/dbraw/zinc/62/89/65/488628965.db2.gz YCVPZJQHXIYBAU-UHFFFAOYSA-N 0 3 370.431 0.480 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129354294 488630377 /nfs/dbraw/zinc/63/03/77/488630377.db2.gz PPJKPZBMYVVZKJ-NVXWUHKLSA-N 0 3 365.430 0.989 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000133355729 488659376 /nfs/dbraw/zinc/65/93/76/488659376.db2.gz VSNYEGYNCJCMOY-HNNXBMFYSA-N 0 3 366.466 0.878 20 5 FCBDHN COCCN1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000264436856 488673753 /nfs/dbraw/zinc/67/37/53/488673753.db2.gz CVVPWHUDPXLVQQ-ZDUSSCGKSA-N 0 3 350.375 0.162 20 5 FCBDHN COCCN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000148547193 488696932 /nfs/dbraw/zinc/69/69/32/488696932.db2.gz BFKVBDQDZMWQHU-UHFFFAOYSA-N 0 3 350.375 0.760 20 5 FCBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000150940200 488701253 /nfs/dbraw/zinc/70/12/53/488701253.db2.gz FZRIEKMZFHGJSV-UHFFFAOYSA-N 0 3 374.401 0.650 20 5 FCBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266855252 488737296 /nfs/dbraw/zinc/73/72/96/488737296.db2.gz SPWSUEKVUIUIFT-LLVKDONJSA-N 0 3 370.431 0.765 20 5 FCBDHN Cc1c(C(=O)NCC2(O)CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000267198866 488769185 /nfs/dbraw/zinc/76/91/85/488769185.db2.gz XUXZNABUFLCRQX-UHFFFAOYSA-N 0 3 374.401 0.670 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000288548160 488991320 /nfs/dbraw/zinc/99/13/20/488991320.db2.gz IPSQNHUHVRYFFX-GFCCVEGCSA-N 0 3 350.375 0.524 20 5 FCBDHN COc1cc(CNCCCn2cc(CO)nn2)c([N+](=O)[O-])cc1OC ZINC000289823038 489095500 /nfs/dbraw/zinc/09/55/00/489095500.db2.gz MEZAOZMCMZRYNP-UHFFFAOYSA-N 0 3 351.363 0.876 20 5 FCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N(C)C ZINC000290267482 489126009 /nfs/dbraw/zinc/12/60/09/489126009.db2.gz VUQBKZMDIOYPBK-LLVKDONJSA-N 0 3 358.420 0.793 20 5 FCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366030555 489137149 /nfs/dbraw/zinc/13/71/49/489137149.db2.gz BUNXCNNBYKKSEN-AWEZNQCLSA-N 0 3 350.423 0.418 20 5 FCBDHN CN(C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762360 489163971 /nfs/dbraw/zinc/16/39/71/489163971.db2.gz KETKTPQNKJGJKR-PBHICJAKSA-N 0 3 362.386 0.817 20 5 FCBDHN CN1CC[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000291492000 489174258 /nfs/dbraw/zinc/17/42/58/489174258.db2.gz BHZCGDZYJYQGTJ-FZMZJTMJSA-N 0 3 372.381 0.743 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000563551477 491254680 /nfs/dbraw/zinc/25/46/80/491254680.db2.gz ZMSSTQHRBHVJCI-ZIAGYGMSSA-N 0 3 373.413 0.579 20 5 FCBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000362933035 489406106 /nfs/dbraw/zinc/40/61/06/489406106.db2.gz RLUGADATNYXLKL-QWHCGFSZSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363096192 489423392 /nfs/dbraw/zinc/42/33/92/489423392.db2.gz ZVIUKYLECDCVAT-CABCVRRESA-N 0 3 362.386 0.304 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363218274 489439978 /nfs/dbraw/zinc/43/99/78/489439978.db2.gz HFPUTFMKEKUBQS-GFCCVEGCSA-N 0 3 350.423 0.732 20 5 FCBDHN CCc1[nH]nc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000363218274 489439979 /nfs/dbraw/zinc/43/99/79/489439979.db2.gz HFPUTFMKEKUBQS-GFCCVEGCSA-N 0 3 350.423 0.732 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000286899877 489441182 /nfs/dbraw/zinc/44/11/82/489441182.db2.gz GVLUJDYYDRYYKV-VIFPVBQESA-N 0 3 365.419 0.949 20 5 FCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCCCN1CCN(c2ccncc2)CC1 ZINC000299583285 489458428 /nfs/dbraw/zinc/45/84/28/489458428.db2.gz RKNHOFYGWYXHGJ-UHFFFAOYSA-N 0 3 373.417 0.515 20 5 FCBDHN C[C@@H](CN(C)C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000287267575 489473762 /nfs/dbraw/zinc/47/37/62/489473762.db2.gz QRLJCUDQWYVBGN-NSHDSACASA-N 0 3 373.435 0.122 20 5 FCBDHN O=C1CCCCN1[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363576648 489480131 /nfs/dbraw/zinc/48/01/31/489480131.db2.gz BLZIGFPFXMCVCO-UKRRQHHQSA-N 0 3 351.407 0.629 20 5 FCBDHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](CN)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000415453305 489522332 /nfs/dbraw/zinc/52/23/32/489522332.db2.gz MWJSVENYKXJTBZ-LBPRGKRZSA-N 0 3 364.358 0.482 20 5 FCBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000426886317 489585925 /nfs/dbraw/zinc/58/59/25/489585925.db2.gz KXDAJVWMTJHNHZ-CQSZACIVSA-N 0 3 363.374 0.731 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428553529 489653558 /nfs/dbraw/zinc/65/35/58/489653558.db2.gz XGXZLMKCQSDAMH-MRXNPFEDSA-N 0 3 372.381 0.962 20 5 FCBDHN C[C@H]([NH3+])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000570846282 491269066 /nfs/dbraw/zinc/26/90/66/491269066.db2.gz UWTZGTPKCCXGAZ-QWRGUYRKSA-N 0 3 356.404 0.069 20 5 FCBDHN C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417676267 489660803 /nfs/dbraw/zinc/66/08/03/489660803.db2.gz FACQMWLFJMPHGO-QWRGUYRKSA-N 0 3 371.419 0.004 20 5 FCBDHN Cc1ccc(NCCCNC(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000417721770 489662721 /nfs/dbraw/zinc/66/27/21/489662721.db2.gz ULEHSYVROJQFJX-CYBMUJFWSA-N 0 3 351.407 0.993 20 5 FCBDHN CC(C)(N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489940354 489736841 /nfs/dbraw/zinc/73/68/41/489736841.db2.gz RXMQYTQSPKPLGK-UHFFFAOYSA-N 0 3 356.404 0.165 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869147 489767214 /nfs/dbraw/zinc/76/72/14/489767214.db2.gz OJQQNMWSTCTGEC-RISCZKNCSA-N 0 3 364.402 0.483 20 5 FCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(O)CCN(C)CC1 ZINC000474985207 489799051 /nfs/dbraw/zinc/79/90/51/489799051.db2.gz SWMKVAJQOLNSKK-LBPRGKRZSA-N 0 3 368.438 0.400 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000418949641 489801882 /nfs/dbraw/zinc/80/18/82/489801882.db2.gz RTMSPTQQSGAPRY-CQSZACIVSA-N 0 3 364.402 0.853 20 5 FCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042026 489831251 /nfs/dbraw/zinc/83/12/51/489831251.db2.gz OSFNCCNQNCTEQR-DGCLKSJQSA-N 0 3 364.402 0.483 20 5 FCBDHN C[C@@H]1CN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000432557374 489847376 /nfs/dbraw/zinc/84/73/76/489847376.db2.gz LMGZVNZFAGYDJU-CYBMUJFWSA-N 0 3 352.391 0.374 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420020019 489882219 /nfs/dbraw/zinc/88/22/19/489882219.db2.gz RTBLMBGROFKAGW-QGZVFWFLSA-N 0 3 367.402 0.727 20 5 FCBDHN C[C@H](CN)NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420020510 489882890 /nfs/dbraw/zinc/88/28/90/489882890.db2.gz FPBNMYOLKVLJDU-LLVKDONJSA-N 0 3 350.375 0.428 20 5 FCBDHN CNC(=O)C[NH+]1CCC(NC(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433831561 489902075 /nfs/dbraw/zinc/90/20/75/489902075.db2.gz NGXGBYRKVMROOA-UHFFFAOYSA-N 0 3 352.395 0.382 20 5 FCBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@]1(CO)CCOC1 ZINC000461377481 489907463 /nfs/dbraw/zinc/90/74/63/489907463.db2.gz VXIWXZKTHLRKCO-INIZCTEOSA-N 0 3 351.359 0.976 20 5 FCBDHN C[C@@H]1NCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000434710831 489951677 /nfs/dbraw/zinc/95/16/77/489951677.db2.gz ZOTBEEKCHWKRFH-RYUDHWBXSA-N 0 3 370.431 0.472 20 5 FCBDHN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000420443054 489977717 /nfs/dbraw/zinc/97/77/17/489977717.db2.gz AAEMAYPICKYIDJ-UWVGGRQHSA-N 0 3 357.388 0.772 20 5 FCBDHN [NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000445547522 490139003 /nfs/dbraw/zinc/13/90/03/490139003.db2.gz HIGHXFBFCUCDFL-NXEZZACHSA-N 0 3 357.388 0.914 20 5 FCBDHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571359404 491303260 /nfs/dbraw/zinc/30/32/60/491303260.db2.gz MRZRCDMMLBZSGZ-CZUORRHYSA-N 0 3 368.386 0.580 20 5 FCBDHN CC(C)NC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000520611924 490171622 /nfs/dbraw/zinc/17/16/22/490171622.db2.gz VLANJUWPPAFMTF-STQMWFEESA-N 0 3 361.402 0.481 20 5 FCBDHN CCn1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000407990991 490196736 /nfs/dbraw/zinc/19/67/36/490196736.db2.gz RKJBOCKGOXQBKO-VXGBXAGGSA-N 0 3 357.436 0.916 20 5 FCBDHN CCCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000497716287 490201542 /nfs/dbraw/zinc/20/15/42/490201542.db2.gz YISBPEQMLLRSPX-CYBMUJFWSA-N 0 3 358.420 0.507 20 5 FCBDHN CCn1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])n1 ZINC000533634694 490270632 /nfs/dbraw/zinc/27/06/32/490270632.db2.gz KZFPTLKVTYFPLN-UHFFFAOYSA-N 0 3 361.424 0.200 20 5 FCBDHN CN1CC[C@@H](Cn2nnnc2Sc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000564558887 491314097 /nfs/dbraw/zinc/31/40/97/491314097.db2.gz NIFBAHGHIYMFFD-MRVPVSSYSA-N 0 3 364.391 0.178 20 5 FCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712477 490333331 /nfs/dbraw/zinc/33/33/31/490333331.db2.gz ZQWOIDKGYQCYAO-RISCZKNCSA-N 0 3 374.397 0.919 20 5 FCBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000522265181 490361870 /nfs/dbraw/zinc/36/18/70/490361870.db2.gz KKSOACVCZOICTC-CYBMUJFWSA-N 0 3 352.439 0.526 20 5 FCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000449653118 490418100 /nfs/dbraw/zinc/41/81/00/490418100.db2.gz BTSDSPMRKAZLAW-LBPRGKRZSA-N 0 3 356.329 0.828 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449662942 490420617 /nfs/dbraw/zinc/42/06/17/490420617.db2.gz HUKKYPCGLSFTGR-ZJUUUORDSA-N 0 3 360.365 0.941 20 5 FCBDHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000571776733 491328352 /nfs/dbraw/zinc/32/83/52/491328352.db2.gz KIMBKDRBDRGFMQ-QWRGUYRKSA-N 0 3 367.793 0.431 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450597659 490477472 /nfs/dbraw/zinc/47/74/72/490477472.db2.gz PJRQMBOVTFVBMI-NSHDSACASA-N 0 3 358.420 0.501 20 5 FCBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000536176608 490559799 /nfs/dbraw/zinc/55/97/99/490559799.db2.gz KHCUWPXYAWACSP-UHFFFAOYSA-N 0 3 351.407 0.110 20 5 FCBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000525103044 490576323 /nfs/dbraw/zinc/57/63/23/490576323.db2.gz KFNGFNPOVNHFHZ-GXTWGEPZSA-N 0 3 363.418 0.993 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511644439 490612488 /nfs/dbraw/zinc/61/24/88/490612488.db2.gz CIYIYEPSIGDCPK-YUSALJHKSA-N 0 3 352.313 0.645 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525765882 490629189 /nfs/dbraw/zinc/62/91/89/490629189.db2.gz TYDNGRDAYQOYBY-DGCLKSJQSA-N 0 3 364.402 0.932 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525765883 490629270 /nfs/dbraw/zinc/62/92/70/490629270.db2.gz TYDNGRDAYQOYBY-WCQYABFASA-N 0 3 364.402 0.932 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000564976707 491342486 /nfs/dbraw/zinc/34/24/86/491342486.db2.gz WDNUBJNIUCVJRH-DOMZBBRYSA-N 0 3 358.416 0.746 20 5 FCBDHN CS(=O)(=O)CC1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000572029542 491344162 /nfs/dbraw/zinc/34/41/62/491344162.db2.gz WVSGWWLJJNYMFW-LBPRGKRZSA-N 0 3 358.416 0.749 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000513831022 490750970 /nfs/dbraw/zinc/75/09/70/490750970.db2.gz IMPDSNKIWKHDKX-ZDUSSCGKSA-N 0 3 364.402 0.934 20 5 FCBDHN CS(=O)(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000565090027 491352540 /nfs/dbraw/zinc/35/25/40/491352540.db2.gz WZKJFIQLGFYVLQ-XQQFMLRXSA-N 0 3 357.436 0.899 20 5 FCBDHN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000505888689 490843429 /nfs/dbraw/zinc/84/34/29/490843429.db2.gz AOZNBIPLYYZJMK-RYUDHWBXSA-N 0 3 370.431 0.472 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542065900 490884134 /nfs/dbraw/zinc/88/41/34/490884134.db2.gz SKJDXVLYDDVGJK-NSHDSACASA-N 0 3 350.375 1.000 20 5 FCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240245 491363765 /nfs/dbraw/zinc/36/37/65/491363765.db2.gz UAAQARURAJBTMG-GXSJLCMTSA-N 0 3 372.303 0.998 20 5 FCBDHN COc1ccc(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000519536443 490974953 /nfs/dbraw/zinc/97/49/53/490974953.db2.gz FYUQQOUHMJKAJK-UHFFFAOYSA-N 0 3 361.362 0.312 20 5 FCBDHN CN(C)CCOc1cc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)ccn1 ZINC000545072828 490987414 /nfs/dbraw/zinc/98/74/14/490987414.db2.gz MGITUGPJWHUFFJ-UHFFFAOYSA-N 0 3 360.334 0.620 20 5 FCBDHN CCOc1ccc(NC(=O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000565535851 491382748 /nfs/dbraw/zinc/38/27/48/491382748.db2.gz NAERDXWYDFTFHD-CQSZACIVSA-N 0 3 363.374 0.779 20 5 FCBDHN N[C@H]1C[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCN2C1=O ZINC000573387047 491430287 /nfs/dbraw/zinc/43/02/87/491430287.db2.gz YTMBGVLWHOZCCF-OLZOCXBDSA-N 0 3 358.358 0.389 20 5 FCBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558752972 491445360 /nfs/dbraw/zinc/44/53/60/491445360.db2.gz BQOQBRZUSUVQRN-HIFRSBDPSA-N 0 3 359.386 0.931 20 5 FCBDHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573685041 491448279 /nfs/dbraw/zinc/44/82/79/491448279.db2.gz ZEBSCJCEOBJLIX-NWDGAFQWSA-N 0 3 370.431 0.507 20 5 FCBDHN COCCN(C)C[C@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000566572302 491454082 /nfs/dbraw/zinc/45/40/82/491454082.db2.gz QUFWEUJNKWCAKV-HNNXBMFYSA-N 0 3 362.386 0.758 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000567166718 491489782 /nfs/dbraw/zinc/48/97/82/491489782.db2.gz LJSWILDNBBARNE-CHWSQXEVSA-N 0 3 358.416 0.603 20 5 FCBDHN CS(=O)(=O)CC1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567345264 491500736 /nfs/dbraw/zinc/50/07/36/491500736.db2.gz BFWVGWLPBWZEAB-CYBMUJFWSA-N 0 3 358.416 0.749 20 5 FCBDHN Cc1c(Br)c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000574532760 491503028 /nfs/dbraw/zinc/50/30/28/491503028.db2.gz QDPYIGMBNIXQGK-DTWKUNHWSA-N 0 3 370.207 0.809 20 5 FCBDHN C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567912383 491540722 /nfs/dbraw/zinc/54/07/22/491540722.db2.gz NMQIIXZCLPVMJA-UEKVPHQBSA-N 0 3 370.431 0.376 20 5 FCBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000560598403 491546983 /nfs/dbraw/zinc/54/69/83/491546983.db2.gz FEBLKHXAGXSLNO-ZDUSSCGKSA-N 0 3 374.401 0.337 20 5 FCBDHN CO[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000568985184 491624331 /nfs/dbraw/zinc/62/43/31/491624331.db2.gz JVSOQOWZZYQKSF-UONOGXRCSA-N 0 3 357.432 0.807 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578450619 491677609 /nfs/dbraw/zinc/67/76/09/491677609.db2.gz GTJFACXYXBIXOJ-HNNXBMFYSA-N 0 3 353.423 0.051 20 5 FCBDHN N[C@H]1C[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CCN2C1=O ZINC000579615402 491701716 /nfs/dbraw/zinc/70/17/16/491701716.db2.gz HMTYFNZTCFINAB-OLZOCXBDSA-N 0 3 359.386 0.235 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580845224 491748778 /nfs/dbraw/zinc/74/87/78/491748778.db2.gz VKARWFWTTROPON-STQMWFEESA-N 0 3 363.374 0.057 20 5 FCBDHN Cc1c(NC(=O)CCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440523 491773239 /nfs/dbraw/zinc/77/32/39/491773239.db2.gz ISVJCMLOJBLXQY-STQMWFEESA-N 0 3 361.402 0.476 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)CN2CCCCC2)c1 ZINC000582122335 491798780 /nfs/dbraw/zinc/79/87/80/491798780.db2.gz KGMOSJQGMRBSRT-ZBFHGGJFSA-N 0 3 353.419 0.771 20 5 FCBDHN CCc1n[n-]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000582308811 491807160 /nfs/dbraw/zinc/80/71/60/491807160.db2.gz NRBDHXZDAIHKTJ-UHFFFAOYSA-N 0 3 352.395 0.163 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3nnnn3CC2)cc1 ZINC000591771694 491823405 /nfs/dbraw/zinc/82/34/05/491823405.db2.gz KAQUTSIFERFVHR-LLVKDONJSA-N 0 3 366.403 0.350 20 5 FCBDHN C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1N(C)C ZINC000583010418 491836023 /nfs/dbraw/zinc/83/60/23/491836023.db2.gz IZRVUOSVKUJCTQ-MLGOLLRUSA-N 0 3 360.414 0.888 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccncc2OCC(F)F)c1 ZINC000583748423 491851086 /nfs/dbraw/zinc/85/10/86/491851086.db2.gz CHMVPXKXVPTDOE-LBPRGKRZSA-N 0 3 357.317 0.981 20 5 FCBDHN CN1CC[C@@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000583854053 491853427 /nfs/dbraw/zinc/85/34/27/491853427.db2.gz UZNIUPSGFRWWBY-RISCZKNCSA-N 0 3 360.370 0.483 20 5 FCBDHN N[C@H]1C[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594877553 491870368 /nfs/dbraw/zinc/87/03/68/491870368.db2.gz VOIKQYPTLBDMFY-GJZGRUSLSA-N 0 3 361.402 0.557 20 5 FCBDHN CCOC(=O)CC1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOCC1 ZINC000595876295 491958749 /nfs/dbraw/zinc/95/87/49/491958749.db2.gz BNBREPFUFWIIRQ-UHFFFAOYSA-N 0 3 353.375 0.849 20 5 FCBDHN Cc1c(CN)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1C ZINC000595958744 491965364 /nfs/dbraw/zinc/96/53/64/491965364.db2.gz GZNCAKVSSIBLEN-UHFFFAOYSA-N 0 3 360.374 0.772 20 5 FCBDHN NS(=O)(=O)c1ccc(NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000596085963 491975159 /nfs/dbraw/zinc/97/51/59/491975159.db2.gz QOGHVHNYTXVRKQ-UHFFFAOYSA-N 0 3 358.420 0.501 20 5 FCBDHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000596179794 491978872 /nfs/dbraw/zinc/97/88/72/491978872.db2.gz QPVUDAWMZURGFC-RYUDHWBXSA-N 0 3 360.461 0.724 20 5 FCBDHN CN1CCN(CC2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)CC1 ZINC000597696034 492060098 /nfs/dbraw/zinc/06/00/98/492060098.db2.gz UWULDEPTRDBRDK-UHFFFAOYSA-N 0 3 362.386 0.643 20 5 FCBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598194765 492088363 /nfs/dbraw/zinc/08/83/63/492088363.db2.gz HWVCCLXKBWHZRO-HNNXBMFYSA-N 0 3 358.402 0.962 20 5 FCBDHN CCCN1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000598342571 492095660 /nfs/dbraw/zinc/09/56/60/492095660.db2.gz KZTJKZNSBRWWHH-LBPRGKRZSA-N 0 3 362.386 0.921 20 5 FCBDHN CCN1CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598585946 492105834 /nfs/dbraw/zinc/10/58/34/492105834.db2.gz BNFKDSBCDSUMBE-UHFFFAOYSA-N 0 3 365.438 0.271 20 5 FCBDHN Nc1nc(N)nc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000599071906 492133394 /nfs/dbraw/zinc/13/33/94/492133394.db2.gz BITMGWYTYFQTJR-UHFFFAOYSA-N 0 3 370.377 0.198 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608783903 492193131 /nfs/dbraw/zinc/19/31/31/492193131.db2.gz BTYCKAYZOPYOMP-CYBMUJFWSA-N 0 3 351.407 0.606 20 5 FCBDHN CCCN(C)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609316757 492205153 /nfs/dbraw/zinc/20/51/53/492205153.db2.gz CQLKVIHAWPJYPD-UHFFFAOYSA-N 0 3 372.447 0.868 20 5 FCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383406 492207449 /nfs/dbraw/zinc/20/74/49/492207449.db2.gz NKDJULWAXAWCIE-CYBMUJFWSA-N 0 3 374.397 0.921 20 5 FCBDHN C[NH+](C)CCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743306 492221070 /nfs/dbraw/zinc/22/10/70/492221070.db2.gz VTMTYODKYJCCKH-UHFFFAOYSA-N 0 3 372.447 0.721 20 5 FCBDHN CN1CCN(C(=O)CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566846 492231662 /nfs/dbraw/zinc/23/16/62/492231662.db2.gz HTGRCAHHDBTXFU-ZIAGYGMSSA-N 0 3 350.423 0.639 20 5 FCBDHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000610187769 492236881 /nfs/dbraw/zinc/23/68/81/492236881.db2.gz HBSLNYCIAVOZSR-ZDUSSCGKSA-N 0 3 362.386 0.873 20 5 FCBDHN NS(=O)(=O)c1cc(NC2CCN([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000611165828 492280157 /nfs/dbraw/zinc/28/01/57/492280157.db2.gz XZTOGGRXRWGLQV-ZDUSSCGKSA-N 0 3 370.431 0.907 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000611184893 492280968 /nfs/dbraw/zinc/28/09/68/492280968.db2.gz ADLSFBQPWLTSLF-MRXNPFEDSA-N 0 3 350.419 0.943 20 5 FCBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000546586630 546888521 /nfs/dbraw/zinc/88/85/21/546888521.db2.gz IZNOVESXAHLAJC-OAHLLOKOSA-N 0 3 355.416 0.476 20 5 FCBDHN CN1CC[C@](O)(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000547276448 546904008 /nfs/dbraw/zinc/90/40/08/546904008.db2.gz RKRRTSJXMTVRPM-HNNXBMFYSA-N 0 3 370.793 0.161 20 5 FCBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCCC1 ZINC000591756223 546939837 /nfs/dbraw/zinc/93/98/37/546939837.db2.gz RZMIWLHLBXOHOF-HUUCEWRRSA-N 0 3 351.407 0.675 20 5 FCBDHN CC1(C)CN[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592021581 546943951 /nfs/dbraw/zinc/94/39/51/546943951.db2.gz SHLNFLFHODXAMX-GFCCVEGCSA-N 0 3 352.416 0.939 20 5 FCBDHN [NH3+]C1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000592445629 546950441 /nfs/dbraw/zinc/95/04/41/546950441.db2.gz SMRWIJZPJKEJOS-UHFFFAOYSA-N 0 3 370.431 0.651 20 5 FCBDHN CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000592543806 546953111 /nfs/dbraw/zinc/95/31/11/546953111.db2.gz MKEJSKVLJMDCEZ-GFCCVEGCSA-N 0 3 370.431 0.330 20 5 FCBDHN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000592555255 546954521 /nfs/dbraw/zinc/95/45/21/546954521.db2.gz RVVZCPIOWQLJLG-QWRGUYRKSA-N 0 3 374.394 0.079 20 5 FCBDHN CCOc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000552440418 547326403 /nfs/dbraw/zinc/32/64/03/547326403.db2.gz BRKYMHFVQPYYTM-STQMWFEESA-N 0 3 353.375 0.749 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737746879 598374244 /nfs/dbraw/zinc/37/42/44/598374244.db2.gz SSNAWSURXPMKAO-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737746879 598374246 /nfs/dbraw/zinc/37/42/46/598374246.db2.gz SSNAWSURXPMKAO-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737746879 598374247 /nfs/dbraw/zinc/37/42/47/598374247.db2.gz SSNAWSURXPMKAO-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737746879 598374249 /nfs/dbraw/zinc/37/42/49/598374249.db2.gz SSNAWSURXPMKAO-LBPRGKRZSA-N 0 3 374.405 0.774 20 5 FCBDHN CCn1cc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001029964581 665219521 /nfs/dbraw/zinc/21/95/21/665219521.db2.gz PRLOFAVWJIENEE-HUUCEWRRSA-N 0 3 350.423 0.634 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785801218 668732320 /nfs/dbraw/zinc/73/23/20/668732320.db2.gz QGABHLFIWLEDCC-RYUDHWBXSA-N 0 3 356.404 0.517 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797689 668732349 /nfs/dbraw/zinc/73/23/49/668732349.db2.gz CALKYNXLBNXZGN-WDEREUQCSA-N 0 3 356.404 0.517 20 5 FCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000813104271 669827752 /nfs/dbraw/zinc/82/77/52/669827752.db2.gz LFJNKKOAJBGQGC-VIFPVBQESA-N 0 3 358.372 0.958 20 5 FCBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813108602 669827810 /nfs/dbraw/zinc/82/78/10/669827810.db2.gz IBSBQJILCNWQKA-DGCLKSJQSA-N 0 3 372.399 0.966 20 5 FCBDHN NS(=O)(=O)c1ccc(C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000801439432 675784384 /nfs/dbraw/zinc/78/43/84/675784384.db2.gz HLYLBKAEXOMUQL-UHFFFAOYSA-N 0 3 357.388 0.885 20 5 FCBDHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261811591 1169876907 /nfs/dbraw/zinc/87/69/07/1169876907.db2.gz SPRNNPFGIKBXMX-INIZCTEOSA-N 0 3 370.413 0.864 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979752315 1186115375 /nfs/dbraw/zinc/11/53/75/1186115375.db2.gz DTBSQWXIBONUEY-FMKGYKFTSA-N 0 3 364.402 0.631 20 5 FCBDHN O=C(NC[C@H]1C[C@@H](NCc2cnn(-c3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084505 1198144338 /nfs/dbraw/zinc/14/43/38/1198144338.db2.gz UGHSECDYUQLYGN-DLTLXFJOSA-N 0 3 370.413 0.917 20 5 FCBDHN O=C(NC[C@H]1C[C@H](NCc2nnc3n2CCCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363097 1198326776 /nfs/dbraw/zinc/32/67/76/1198326776.db2.gz BLWHRBMIOFJNNR-AAVRWANBSA-N 0 3 362.434 0.654 20 5 FCBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000788964671 1200983287 /nfs/dbraw/zinc/98/32/87/1200983287.db2.gz LWHQVJDNDRMNOM-CQSZACIVSA-N 0 3 364.358 0.703 20 5 FCBDHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846959963 1204674706 /nfs/dbraw/zinc/67/47/06/1204674706.db2.gz SQABYYMGQCXXKZ-HOTGVXAUSA-N 0 3 362.430 0.992 20 5 FCBDHN Cc1cncn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952748415 1212977367 /nfs/dbraw/zinc/97/73/67/1212977367.db2.gz JEZMPRWQLZARJG-LXTVHRRPSA-N 0 3 361.402 0.449 20 5 FCBDHN CCCn1cc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000953926932 1213023838 /nfs/dbraw/zinc/02/38/38/1213023838.db2.gz JAWHTCWSZOXKHS-TZMCWYRMSA-N 0 3 364.406 0.416 20 5 FCBDHN O=C(c1cnn(-c2ccncc2)c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114631 1213830906 /nfs/dbraw/zinc/83/09/06/1213830906.db2.gz KUPOJTLYEYHQDU-HUUCEWRRSA-N 0 3 370.369 0.217 20 5 FCBDHN O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn2cncc2c1 ZINC001017593244 1214120530 /nfs/dbraw/zinc/12/05/30/1214120530.db2.gz JGCHBIZJYZADBS-HZPDHXFCSA-N 0 3 369.381 0.888 20 5 FCBDHN O=C(c1cccc2c[nH]nc21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014047 1214178921 /nfs/dbraw/zinc/17/89/21/1214178921.db2.gz SAQUWKGRPMOTNQ-ZIAGYGMSSA-N 0 3 369.381 0.903 20 5 FCBDHN CCN(C(=O)c1cnccc1N(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968167994 1215292885 /nfs/dbraw/zinc/29/28/85/1215292885.db2.gz IHFGEGSDCUOSPV-IUODEOHRSA-N 0 3 361.402 0.486 20 5 FCBDHN O=C(NCC1(NCc2ncnn2CCF)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530663 1221311770 /nfs/dbraw/zinc/31/17/70/1221311770.db2.gz JQRVGHNWHYUKDG-CHWSQXEVSA-N 0 3 368.413 0.822 20 5 FCBDHN CC(C)(CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC001116970182 1221413897 /nfs/dbraw/zinc/41/38/97/1221413897.db2.gz LZDHXIAIGFGGFE-UHFFFAOYSA-N 0 3 366.422 0.288 20 5 FCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151249 1221482460 /nfs/dbraw/zinc/48/24/60/1221482460.db2.gz LCQSOINVANXEIO-HOTGVXAUSA-N 0 3 374.397 0.416 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC001118083954 1221707362 /nfs/dbraw/zinc/70/73/62/1221707362.db2.gz HKGDNPHELVIXOP-AWEZNQCLSA-N 0 3 364.402 0.772 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCCN(CCCO)C1 ZINC000833565482 1222556651 /nfs/dbraw/zinc/55/66/51/1222556651.db2.gz HYYRBROBJBTDSQ-AWEZNQCLSA-N 0 3 361.402 0.908 20 5 FCBDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483844 1222741354 /nfs/dbraw/zinc/74/13/54/1222741354.db2.gz GOZDHXOJGFXWDL-ZIAGYGMSSA-N 0 3 362.386 0.821 20 5 FCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](CO)CN1CCCCC1 ZINC000840458266 1222786818 /nfs/dbraw/zinc/78/68/18/1222786818.db2.gz WPLZBXGSCFDBJN-AWEZNQCLSA-N 0 3 361.402 0.908 20 5 FCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCO[C@H](CN3CCCC3)C2)n1 ZINC001158315066 1223094399 /nfs/dbraw/zinc/09/43/99/1223094399.db2.gz OGRQHWROIIGLBT-CYBMUJFWSA-N 0 3 364.406 0.953 20 5 FCBDHN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccn2cncc2c1 ZINC000976888452 1248445111 /nfs/dbraw/zinc/44/51/11/1248445111.db2.gz JKAPVTVPVUNHCS-QMIVOQANSA-N 0 3 355.354 0.186 20 5 FCBDHN O=C(NCC1CN(C(=O)c2cnn(-c3ccncc3)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809477 1252354432 /nfs/dbraw/zinc/35/44/32/1252354432.db2.gz FBJHLYWYKZMFNJ-HUUCEWRRSA-N 0 3 370.369 0.121 20 5 FCBDHN Cc1nccn1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730266 1254135039 /nfs/dbraw/zinc/13/50/39/1254135039.db2.gz GENJGPNFTUHRCJ-KBUPBQIOSA-N 0 3 363.418 0.648 20 5 FCBDHN CN(C)Cc1ccoc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064251873 1254416483 /nfs/dbraw/zinc/41/64/83/1254416483.db2.gz QZFMDXPCDRZWGL-CHWSQXEVSA-N 0 3 364.402 0.775 20 5 FCBDHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001257297855 1260006335 /nfs/dbraw/zinc/00/63/35/1260006335.db2.gz AUHZCPMHVITEEZ-ZDUSSCGKSA-N 0 3 366.418 0.809 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC001261170308 1260088530 /nfs/dbraw/zinc/08/85/30/1260088530.db2.gz IBTGNVMMJAITPA-UHFFFAOYSA-N 0 3 364.402 0.774 20 5 FCBDHN COC(=O)[C@]1(O)CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001308032307 1263207723 /nfs/dbraw/zinc/20/77/23/1263207723.db2.gz FKQXUSITMJITGU-INIZCTEOSA-N 0 3 367.358 0.542 20 5 FCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[C@H]1N1CCN(C)CC1 ZINC001320275448 1263780241 /nfs/dbraw/zinc/78/02/41/1263780241.db2.gz OFYGFWOSQHTIPP-IUODEOHRSA-N 0 3 362.434 0.670 20 5 FCBDHN C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC001323906172 1264537797 /nfs/dbraw/zinc/53/77/97/1264537797.db2.gz QQICXHDFGUPGPY-QWHCGFSZSA-N 0 3 366.422 0.144 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593481763 1286174127 /nfs/dbraw/zinc/17/41/27/1286174127.db2.gz KNXNJVJTAJUXKF-ZDUSSCGKSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593481763 1286174130 /nfs/dbraw/zinc/17/41/30/1286174130.db2.gz KNXNJVJTAJUXKF-ZDUSSCGKSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593481763 1286174134 /nfs/dbraw/zinc/17/41/34/1286174134.db2.gz KNXNJVJTAJUXKF-ZDUSSCGKSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593481763 1286174139 /nfs/dbraw/zinc/17/41/39/1286174139.db2.gz KNXNJVJTAJUXKF-ZDUSSCGKSA-N 0 3 373.417 0.806 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593486433 1286176297 /nfs/dbraw/zinc/17/62/97/1286176297.db2.gz SLLRBVJUWDZZHB-GFCCVEGCSA-N 0 3 374.405 0.907 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593486433 1286176299 /nfs/dbraw/zinc/17/62/99/1286176299.db2.gz SLLRBVJUWDZZHB-GFCCVEGCSA-N 0 3 374.405 0.907 20 5 FCBDHN COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001605104485 1287880973 /nfs/dbraw/zinc/88/09/73/1287880973.db2.gz CMJWTSRUJAJCAI-UHFFFAOYSA-N 0 3 362.394 0.880 20 5 FCBDHN COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001605104485 1287880978 /nfs/dbraw/zinc/88/09/78/1287880978.db2.gz CMJWTSRUJAJCAI-UHFFFAOYSA-N 0 3 362.394 0.880 20 5 FCBDHN O=C(NCC1(NCCS(=O)(=O)c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001754514056 1290630472 /nfs/dbraw/zinc/63/04/72/1290630472.db2.gz OMUXXMBYLOEXKB-ZIAGYGMSSA-N 0 3 367.427 0.364 20 5 FCBDHN CC(C)C(=O)N1CCN(CCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079161098 839490783 /nfs/dbraw/zinc/49/07/83/839490783.db2.gz ULZYDHWOXVDAFU-HUUCEWRRSA-N 0 3 354.451 0.738 20 5 FCBDHN CCCCn1nnnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363145 842126757 /nfs/dbraw/zinc/12/67/57/842126757.db2.gz DOSVLEAAHYRYQR-FDYHWXHSSA-N 0 3 351.411 0.123 20 5 FCBDHN CCC(CC)NC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507964 849583303 /nfs/dbraw/zinc/58/33/03/849583303.db2.gz SJZCSNMBVRJJDD-ZIAGYGMSSA-N 0 3 352.435 0.491 20 5 FCBDHN N[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]1F ZINC001246523514 857583365 /nfs/dbraw/zinc/58/33/65/857583365.db2.gz CCUDAMJUXIKFFD-OLZOCXBDSA-N 0 3 372.422 0.729 20 5 FCBDHN CN(CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001303625726 866445908 /nfs/dbraw/zinc/44/59/08/866445908.db2.gz BQKSRASAAAWGBT-LLVKDONJSA-N 0 3 370.431 0.301 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC001303801609 866465498 /nfs/dbraw/zinc/46/54/98/866465498.db2.gz ORRVSTXKNIDRJT-JQWIXIFHSA-N 0 3 350.375 0.542 20 5 FCBDHN COc1ccc(CN(CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001308035902 866692496 /nfs/dbraw/zinc/69/24/96/866692496.db2.gz XRCRZSYWCGWKAA-HNNXBMFYSA-N 0 3 350.375 0.655 20 5 FCBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]34CN(C)C[C@]3(C2)CCCC4)n1 ZINC001309964561 866993078 /nfs/dbraw/zinc/99/30/78/866993078.db2.gz YIYBSXKEMMHVQJ-GASCZTMLSA-N 0 3 369.447 0.825 20 5 FCBDHN CN(CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001345360627 871301943 /nfs/dbraw/zinc/30/19/43/871301943.db2.gz WVHDIAYQLLIONM-UHFFFAOYSA-N 0 3 350.375 0.300 20 5 FCBDHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000292790987 214123590 /nfs/dbraw/zinc/12/35/90/214123590.db2.gz QSWIHKALPYVJOD-UHFFFAOYSA-N 0 3 369.403 0.450 20 5 FCBDHN CN1CC[C@]2(CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000294027496 214218462 /nfs/dbraw/zinc/21/84/62/214218462.db2.gz ZNFVFESMGVBOSX-SFHVURJKSA-N 0 3 372.381 0.745 20 5 FCBDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265908850 210246593 /nfs/dbraw/zinc/24/65/93/210246593.db2.gz QJEUWVZEXAOQDB-UHFFFAOYSA-N 0 3 370.793 0.760 20 5 FCBDHN C[NH+](C)C/C=C/C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265721410 210206551 /nfs/dbraw/zinc/20/65/51/210206551.db2.gz ZENKAPJNDVOMAG-VMPITWQZSA-N 0 3 356.404 0.107 20 5 FCBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000265102715 210055201 /nfs/dbraw/zinc/05/52/01/210055201.db2.gz TXDXLTPIQKGMCG-UHFFFAOYSA-N 0 3 373.431 0.993 20 5 FCBDHN CN1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285760912 213391048 /nfs/dbraw/zinc/39/10/48/213391048.db2.gz LZGIYYOMNCURNF-HUUCEWRRSA-N 0 3 362.386 0.256 20 5 FCBDHN C[C@@H]1CN(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889871 215373510 /nfs/dbraw/zinc/37/35/10/215373510.db2.gz WBERQHGAROLFNH-CZUORRHYSA-N 0 3 353.423 0.337 20 5 FCBDHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262761254 209655601 /nfs/dbraw/zinc/65/56/01/209655601.db2.gz FYFOAHNWPZWHDV-NXEZZACHSA-N 0 3 357.388 0.785 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367045217 216069270 /nfs/dbraw/zinc/06/92/70/216069270.db2.gz JWELLTUWVCJUTD-UKRRQHHQSA-N 0 3 364.450 0.584 20 5 FCBDHN CCc1n[nH]c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143245 216353053 /nfs/dbraw/zinc/35/30/53/216353053.db2.gz JKHFBJFKMJVBQZ-LBPRGKRZSA-N 0 3 364.406 0.435 20 5 FCBDHN NCC(=O)N1CCC[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677122 245312475 /nfs/dbraw/zinc/31/24/75/245312475.db2.gz WBVVRCPHANYAEK-OAHLLOKOSA-N 0 3 361.446 0.914 20 5 FCBDHN NCC(=O)N1CCC[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703742 245315073 /nfs/dbraw/zinc/31/50/73/245315073.db2.gz LWZDJBLXSSLSNS-OAHLLOKOSA-N 0 3 361.446 0.914 20 5 FCBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000374290022 217115261 /nfs/dbraw/zinc/11/52/61/217115261.db2.gz XVJCFJFBHWTGQA-ZFWWWQNUSA-N 0 3 350.423 0.276 20 5 FCBDHN C[S@@](=O)C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183098465 209141313 /nfs/dbraw/zinc/14/13/13/209141313.db2.gz NTKAQEZQBMRBRX-DAOMAXFVSA-N 0 3 352.416 0.862 20 5 FCBDHN COc1ccc([C@@H](CCO)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182413607 209131821 /nfs/dbraw/zinc/13/18/21/209131821.db2.gz GCZQUXYCEXECLL-GDBMZVCRSA-N 0 3 350.375 0.874 20 5 FCBDHN O=C1Nc2ccccc2[C@]12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000375319650 217249809 /nfs/dbraw/zinc/24/98/09/217249809.db2.gz NDOWWSVJENHYJA-SUMWQHHRSA-N 0 3 357.370 0.748 20 5 FCBDHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420191436 246522529 /nfs/dbraw/zinc/52/25/29/246522529.db2.gz HBDVDBOCRMRMJW-OAHLLOKOSA-N 0 3 362.386 0.190 20 5 FCBDHN C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423621670 247078298 /nfs/dbraw/zinc/07/82/98/247078298.db2.gz YFKAZMHQQFUBCS-MNOVXSKESA-N 0 3 356.404 0.130 20 5 FCBDHN Cc1n[nH]c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000436788976 248052054 /nfs/dbraw/zinc/05/20/54/248052054.db2.gz ANSHCEDYINNVNL-LLVKDONJSA-N 0 3 352.395 0.347 20 5 FCBDHN CC(C)N(C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000444173339 248349979 /nfs/dbraw/zinc/34/99/79/248349979.db2.gz CSLJNYHFRBNASM-UHFFFAOYSA-N 0 3 359.404 0.985 20 5 FCBDHN CNS(=O)(=O)c1ccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270335674 211187672 /nfs/dbraw/zinc/18/76/72/211187672.db2.gz CVZIHUTVAKELLU-ZIAGYGMSSA-N 0 3 374.488 0.985 20 5 FCBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481797001 250361596 /nfs/dbraw/zinc/36/15/96/250361596.db2.gz PTLRTWFILGHWBX-LBPRGKRZSA-N 0 3 363.374 0.882 20 5 FCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)COCc1ccccc1 ZINC000266549385 210354900 /nfs/dbraw/zinc/35/49/00/210354900.db2.gz TWRGSCVMJZPYPG-SJORKVTESA-N 0 3 364.402 0.662 20 5 FCBDHN CCN1CCN(CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029622903 487727942 /nfs/dbraw/zinc/72/79/42/487727942.db2.gz BMGTYVZHAHIFIX-UHFFFAOYSA-N 0 3 371.463 0.682 20 5 FCBDHN C[C@H](CN1CCOCC1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279690388 488961899 /nfs/dbraw/zinc/96/18/99/488961899.db2.gz HNWGJRMGGXIQFV-ZBFHGGJFSA-N 0 3 353.419 0.987 20 5 FCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183780165 488393356 /nfs/dbraw/zinc/39/33/56/488393356.db2.gz FJEDGRCWXQTSRX-AWEZNQCLSA-N 0 3 359.386 0.825 20 5 FCBDHN Cc1nn(CCC(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000184347975 488395859 /nfs/dbraw/zinc/39/58/59/488395859.db2.gz RFKAQSNTUDPQCW-CYBMUJFWSA-N 0 3 366.466 0.940 20 5 FCBDHN Cc1nn(CCC(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000184347956 488395942 /nfs/dbraw/zinc/39/59/42/488395942.db2.gz RFKAQSNTUDPQCW-ZDUSSCGKSA-N 0 3 366.466 0.940 20 5 FCBDHN CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000268527981 488428345 /nfs/dbraw/zinc/42/83/45/488428345.db2.gz WICSVCBNTKZZBU-CQSZACIVSA-N 0 3 372.447 0.576 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962360 488459261 /nfs/dbraw/zinc/45/92/61/488459261.db2.gz FAFQSEGQRVFPEC-UONOGXRCSA-N 0 3 359.386 0.992 20 5 FCBDHN Cc1n[n-]c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962360 488459264 /nfs/dbraw/zinc/45/92/64/488459264.db2.gz FAFQSEGQRVFPEC-UONOGXRCSA-N 0 3 359.386 0.992 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246715205 488474833 /nfs/dbraw/zinc/47/48/33/488474833.db2.gz KUHVOCLBISBFBY-OCCSQVGLSA-N 0 3 361.406 0.570 20 5 FCBDHN O=C(C[C@@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269209049 488479338 /nfs/dbraw/zinc/47/93/38/488479338.db2.gz FYMLLTMPROVOMS-OAHLLOKOSA-N 0 3 362.386 0.258 20 5 FCBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247493053 488486361 /nfs/dbraw/zinc/48/63/61/488486361.db2.gz LCZJDDGYYZCAFT-DZGCQCFKSA-N 0 3 353.423 0.781 20 5 FCBDHN CCN1CCN([C@H](C)CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000102488583 488497723 /nfs/dbraw/zinc/49/77/23/488497723.db2.gz VFGBALCFDGCEPU-CYBMUJFWSA-N 0 3 366.466 0.940 20 5 FCBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000271669145 488537027 /nfs/dbraw/zinc/53/70/27/488537027.db2.gz WNMOQPGNASTPHJ-NWDGAFQWSA-N 0 3 360.461 0.724 20 5 FCBDHN [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261865985 488539208 /nfs/dbraw/zinc/53/92/08/488539208.db2.gz XJWOQLUOWBCXIP-VXGBXAGGSA-N 0 3 370.431 0.364 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CCCCN2)c([N+](=O)[O-])c1 ZINC000262459709 488571553 /nfs/dbraw/zinc/57/15/53/488571553.db2.gz VKRIRPWGNWOEPD-ZDUSSCGKSA-N 0 3 370.431 0.669 20 5 FCBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000272789490 488605742 /nfs/dbraw/zinc/60/57/42/488605742.db2.gz BVDCZCXQWAUAMI-NEPJUHHUSA-N 0 3 360.461 0.724 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272905420 488616093 /nfs/dbraw/zinc/61/60/93/488616093.db2.gz KTSHAGCLOWBISZ-UHFFFAOYSA-N 0 3 368.390 0.626 20 5 FCBDHN Cc1cc(C(=O)NCC(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000273019827 488626099 /nfs/dbraw/zinc/62/60/99/488626099.db2.gz CKWWUOSRTDFTCA-MRXNPFEDSA-N 0 3 352.391 0.062 20 5 FCBDHN CCN1CCN(Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000130047061 488635292 /nfs/dbraw/zinc/63/52/92/488635292.db2.gz KCLTWZMZGGHTKH-UHFFFAOYSA-N 0 3 373.417 0.963 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000263974302 488640119 /nfs/dbraw/zinc/64/01/19/488640119.db2.gz WYLMVUVPSKWZAH-AWEZNQCLSA-N 0 3 363.418 0.850 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000570016171 491210200 /nfs/dbraw/zinc/21/02/00/491210200.db2.gz YOWZPLLXJYODEC-LLVKDONJSA-N 0 3 358.420 0.501 20 5 FCBDHN O=C(CCN[C@H]1CCCN(CCO)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000570093798 491215877 /nfs/dbraw/zinc/21/58/77/491215877.db2.gz SJQLXQZQSWQWJH-ZDUSSCGKSA-N 0 3 350.375 0.496 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152590004 488720191 /nfs/dbraw/zinc/72/01/91/488720191.db2.gz DZPJNWCHACLFPJ-MRXNPFEDSA-N 0 3 360.414 0.902 20 5 FCBDHN CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266855254 488737532 /nfs/dbraw/zinc/73/75/32/488737532.db2.gz SPWSUEKVUIUIFT-NSHDSACASA-N 0 3 370.431 0.765 20 5 FCBDHN Cc1c(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267211238 488769656 /nfs/dbraw/zinc/76/96/56/488769656.db2.gz YYYDQQLINLGSOY-UHFFFAOYSA-N 0 3 352.347 0.998 20 5 FCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000267411904 488784202 /nfs/dbraw/zinc/78/42/02/488784202.db2.gz RUQWPFGBXDEQEJ-GFCCVEGCSA-N 0 3 370.431 0.401 20 5 FCBDHN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160038656 488789115 /nfs/dbraw/zinc/78/91/15/488789115.db2.gz BIKQIPFAXVKSSD-UHFFFAOYSA-N 0 3 358.402 0.866 20 5 FCBDHN C[NH+](C)CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280883557 489038143 /nfs/dbraw/zinc/03/81/43/489038143.db2.gz ZNLGOTHNQFWPFI-UHFFFAOYSA-N 0 3 372.447 0.577 20 5 FCBDHN CN1CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1(C)C ZINC000281559002 489086027 /nfs/dbraw/zinc/08/60/27/489086027.db2.gz CWBOWAHGUINTHP-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C)CCn1nccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000297646771 489218659 /nfs/dbraw/zinc/21/86/59/489218659.db2.gz DDFGLRHOUDFUDD-UHFFFAOYSA-N 0 3 374.357 0.900 20 5 FCBDHN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000563413624 491243004 /nfs/dbraw/zinc/24/30/04/491243004.db2.gz QMBBAUXXENZQBK-LLVKDONJSA-N 0 3 364.406 0.292 20 5 FCBDHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000369781606 489275345 /nfs/dbraw/zinc/27/53/45/489275345.db2.gz HPAMGLLYZXYDOQ-QLFBSQMISA-N 0 3 354.407 0.404 20 5 FCBDHN N[C@H]1C[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000563432691 491244695 /nfs/dbraw/zinc/24/46/95/491244695.db2.gz KAAHEEIGWFKIEY-BDAKNGLRSA-N 0 3 356.180 0.501 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCCCN1CCN(c2ccncc2)CC1 ZINC000299456191 489443778 /nfs/dbraw/zinc/44/37/78/489443778.db2.gz AQISISFKJLSITC-UHFFFAOYSA-N 0 3 373.417 0.515 20 5 FCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363540605 489477460 /nfs/dbraw/zinc/47/74/60/489477460.db2.gz YQVHWVGBNFHDME-AWEZNQCLSA-N 0 3 350.423 0.338 20 5 FCBDHN COC(=O)c1cc(NC(=O)NC[C@@H]2CNCCO2)c(C)c([N+](=O)[O-])c1 ZINC000415601623 489535271 /nfs/dbraw/zinc/53/52/71/489535271.db2.gz PWFJFVJPOCVFKN-NSHDSACASA-N 0 3 352.347 0.800 20 5 FCBDHN NC(=O)c1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372428393 489583522 /nfs/dbraw/zinc/58/35/22/489583522.db2.gz OCYZGFXYHJENID-CQSZACIVSA-N 0 3 361.402 0.612 20 5 FCBDHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000417686023 489660818 /nfs/dbraw/zinc/66/08/18/489660818.db2.gz ZDENTSPZJJMAFD-UHFFFAOYSA-N 0 3 371.419 0.004 20 5 FCBDHN CC(C)[C@H]([NH3+])CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689239 489661287 /nfs/dbraw/zinc/66/12/87/489661287.db2.gz FSYMJZZICNEMAF-LLVKDONJSA-N 0 3 373.435 0.156 20 5 FCBDHN CN1CCN(CCC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000474800420 489786285 /nfs/dbraw/zinc/78/62/85/489786285.db2.gz HNNSFIHQVIFCLG-UHFFFAOYSA-N 0 3 365.434 0.289 20 5 FCBDHN CN1CCC(O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000474990605 489799669 /nfs/dbraw/zinc/79/96/69/489799669.db2.gz ZJKQLTSGBSWENF-UHFFFAOYSA-N 0 3 359.386 0.967 20 5 FCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCCCN1CCN(CCO)CC1 ZINC000432529679 489846339 /nfs/dbraw/zinc/84/63/39/489846339.db2.gz YSDKLQRDYFPLPQ-UHFFFAOYSA-N 0 3 364.446 0.644 20 5 FCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCN1CCN(CCO)CC1 ZINC000432539994 489847721 /nfs/dbraw/zinc/84/77/21/489847721.db2.gz FOSNBBZLKBWBGA-UHFFFAOYSA-N 0 3 364.446 0.644 20 5 FCBDHN CNc1nccc(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000571059819 491283470 /nfs/dbraw/zinc/28/34/70/491283470.db2.gz WMCAOZTWNRDHSY-GFCCVEGCSA-N 0 3 351.407 1.262 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000420058823 489898352 /nfs/dbraw/zinc/89/83/52/489898352.db2.gz JDPVJGRGSGIAGZ-CYBMUJFWSA-N 0 3 361.402 0.097 20 5 FCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C1CCN(C)CC1 ZINC000476665855 489907860 /nfs/dbraw/zinc/90/78/60/489907860.db2.gz TVQBDMHMZPAGHG-LBPRGKRZSA-N 0 3 350.423 0.569 20 5 FCBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420345522 489965377 /nfs/dbraw/zinc/96/53/77/489965377.db2.gz ZRFUHPGBJYVKJE-OAHLLOKOSA-N 0 3 354.338 0.895 20 5 FCBDHN C[C@]1(F)CNCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420345520 489965559 /nfs/dbraw/zinc/96/55/59/489965559.db2.gz ZRFUHPGBJYVKJE-HNNXBMFYSA-N 0 3 354.338 0.895 20 5 FCBDHN CCn1cc(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000420477623 489983355 /nfs/dbraw/zinc/98/33/55/489983355.db2.gz UDSXVJXHBPGOON-NSHDSACASA-N 0 3 351.388 0.890 20 5 FCBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000497459776 490164042 /nfs/dbraw/zinc/16/40/42/490164042.db2.gz VLBFESCJNIMVRX-GDBMZVCRSA-N 0 3 364.450 0.666 20 5 FCBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000521457689 490264475 /nfs/dbraw/zinc/26/44/75/490264475.db2.gz XCPMCSSVUFIPIA-UHFFFAOYSA-N 0 3 364.406 0.245 20 5 FCBDHN O=C(CCN(CCO)CCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411310849 490428590 /nfs/dbraw/zinc/42/85/90/490428590.db2.gz VLKIGBIJLINCBJ-UHFFFAOYSA-N 0 3 366.418 0.550 20 5 FCBDHN Nc1nccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000548386531 490477924 /nfs/dbraw/zinc/47/79/24/490477924.db2.gz CNKYQBMRYKATPU-AWEZNQCLSA-N 0 3 371.397 1.069 20 5 FCBDHN C[C@@H]1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000524721236 490554656 /nfs/dbraw/zinc/55/46/56/490554656.db2.gz CKNRFQJKSKMGHD-LLVKDONJSA-N 0 3 360.370 0.649 20 5 FCBDHN NS(=O)(=O)C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000511582085 490604681 /nfs/dbraw/zinc/60/46/81/490604681.db2.gz QZTQGPHHXBLINR-LBPRGKRZSA-N 0 3 370.431 0.924 20 5 FCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000537167319 490656360 /nfs/dbraw/zinc/65/63/60/490656360.db2.gz DDHJLNGMLSTGHO-GXFFZTMASA-N 0 3 369.403 0.150 20 5 FCBDHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000502144080 490681729 /nfs/dbraw/zinc/68/17/29/490681729.db2.gz RKECQLNHZGVCQP-CHWSQXEVSA-N 0 3 360.461 0.724 20 5 FCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537962128 490703767 /nfs/dbraw/zinc/70/37/67/490703767.db2.gz LQLWDVLMDGDKQV-BXUZGUMPSA-N 0 3 371.415 0.715 20 5 FCBDHN CN1CCN(C(=O)CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085816 490761793 /nfs/dbraw/zinc/76/17/93/490761793.db2.gz ZDBKJBGARBCJGX-CQSZACIVSA-N 0 3 362.434 0.640 20 5 FCBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)NCCN(C)C ZINC000515310591 490817222 /nfs/dbraw/zinc/81/72/22/490817222.db2.gz WQNQVRZBPGLWAN-SNVBAGLBSA-N 0 3 366.374 0.162 20 5 FCBDHN CC1CCN(C[C@H](O)CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000541117634 490850551 /nfs/dbraw/zinc/85/05/51/490850551.db2.gz VOPJKELWCWODAP-CYBMUJFWSA-N 0 3 372.447 0.747 20 5 FCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565237974 491363405 /nfs/dbraw/zinc/36/34/05/491363405.db2.gz DZSCHUJCUJOWPY-QWHCGFSZSA-N 0 3 368.415 0.144 20 5 FCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000557258114 491363026 /nfs/dbraw/zinc/36/30/26/491363026.db2.gz DBHLJQFDOHMICD-JSGCOSHPSA-N 0 3 363.418 0.182 20 5 FCBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240014 491364122 /nfs/dbraw/zinc/36/41/22/491364122.db2.gz PRYLJDDYUKIZNL-VHSXEESVSA-N 0 3 374.806 0.181 20 5 FCBDHN CN1CCN(c2ccncc2NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000517651940 490915667 /nfs/dbraw/zinc/91/56/67/490915667.db2.gz TYOPEZNODDXSHA-UHFFFAOYSA-N 0 3 359.390 0.967 20 5 FCBDHN CCN1CCN([C@@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000530908597 490931622 /nfs/dbraw/zinc/93/16/22/490931622.db2.gz RTKCGZHQUISKIW-LBPRGKRZSA-N 0 3 371.463 0.680 20 5 FCBDHN CN1CCC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518659440 490948271 /nfs/dbraw/zinc/94/82/71/490948271.db2.gz KZTFRJIRCJWKJB-AWEZNQCLSA-N 0 3 363.418 0.852 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000531583281 490965644 /nfs/dbraw/zinc/96/56/44/490965644.db2.gz IBUYTTSMEAODRQ-CYBMUJFWSA-N 0 3 350.423 0.867 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000531583281 490965645 /nfs/dbraw/zinc/96/56/45/490965645.db2.gz IBUYTTSMEAODRQ-CYBMUJFWSA-N 0 3 350.423 0.867 20 5 FCBDHN CCCc1n[nH]c(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000519599062 490978592 /nfs/dbraw/zinc/97/85/92/490978592.db2.gz HQRMNRAGLWYTAQ-LLVKDONJSA-N 0 3 362.394 0.798 20 5 FCBDHN CCCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000519599062 490978594 /nfs/dbraw/zinc/97/85/94/490978594.db2.gz HQRMNRAGLWYTAQ-LLVKDONJSA-N 0 3 362.394 0.798 20 5 FCBDHN Cc1ccc(CN2CC[C@@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000573083765 491411324 /nfs/dbraw/zinc/41/13/24/491411324.db2.gz IKOQGNPUDSOVIV-IAGOWNOFSA-N 0 3 373.413 0.851 20 5 FCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000573311195 491425579 /nfs/dbraw/zinc/42/55/79/491425579.db2.gz SYFQESUMMSULHV-GFCCVEGCSA-N 0 3 370.431 0.565 20 5 FCBDHN Nc1nccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574463843 491498972 /nfs/dbraw/zinc/49/89/72/491498972.db2.gz VVQKZCNNUIVGKR-SFHVURJKSA-N 0 3 371.397 0.939 20 5 FCBDHN CCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000574771436 491519225 /nfs/dbraw/zinc/51/92/25/491519225.db2.gz WJGWMKQTSJLKOI-DGCLKSJQSA-N 0 3 368.415 0.090 20 5 FCBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000567678368 491522894 /nfs/dbraw/zinc/52/28/94/491522894.db2.gz QUMDDTKMQCTYBO-HNNXBMFYSA-N 0 3 360.370 0.749 20 5 FCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000575842710 491564137 /nfs/dbraw/zinc/56/41/37/491564137.db2.gz PUTWRBFIVRQZRU-UHFFFAOYSA-N 0 3 374.401 1.547 20 5 FCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000584378089 491584648 /nfs/dbraw/zinc/58/46/48/491584648.db2.gz VADJSZMFBNDJBZ-KRWDZBQOSA-N 0 3 372.385 0.362 20 5 FCBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000577275322 491608289 /nfs/dbraw/zinc/60/82/89/491608289.db2.gz UUBHIIZSSMDTQZ-BMFZPTHFSA-N 0 3 367.402 0.560 20 5 FCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569356565 491655782 /nfs/dbraw/zinc/65/57/82/491655782.db2.gz GAJCPCJGQVCTHL-OLZOCXBDSA-N 0 3 368.415 0.090 20 5 FCBDHN [NH3+][C@@H]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000578014275 491668010 /nfs/dbraw/zinc/66/80/10/491668010.db2.gz HOFJSRIDWIBPMV-NWDGAFQWSA-N 0 3 370.431 0.507 20 5 FCBDHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000579615199 491701793 /nfs/dbraw/zinc/70/17/93/491701793.db2.gz AIWZFQFAMZPLOV-PWSUYJOCSA-N 0 3 367.793 0.431 20 5 FCBDHN C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000588224628 491742453 /nfs/dbraw/zinc/74/24/53/491742453.db2.gz ZIWSTGVBKLHLTR-QWRGUYRKSA-N 0 3 374.401 0.686 20 5 FCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588869228 491750760 /nfs/dbraw/zinc/75/07/60/491750760.db2.gz IXTWMZPBJXEOHD-ZDUSSCGKSA-N 0 3 359.386 0.967 20 5 FCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000588882244 491751082 /nfs/dbraw/zinc/75/10/82/491751082.db2.gz NSIGPEYLLQFKMS-ZDUSSCGKSA-N 0 3 364.402 0.504 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000590371852 491774360 /nfs/dbraw/zinc/77/43/60/491774360.db2.gz LKNAGGHIONGVPQ-CHWSQXEVSA-N 0 3 368.438 0.400 20 5 FCBDHN Cc1c(C(=O)N[C@@H](CO)CN2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548384 491778691 /nfs/dbraw/zinc/77/86/91/491778691.db2.gz BQRRIQYYZCFSSU-CYBMUJFWSA-N 0 3 374.401 0.670 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000590776529 491786337 /nfs/dbraw/zinc/78/63/37/491786337.db2.gz SGKQISVHCNDFDS-YNEHKIRRSA-N 0 3 350.423 0.990 20 5 FCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875264 491869247 /nfs/dbraw/zinc/86/92/47/491869247.db2.gz GYOIVJTXTKLKOC-ZIAGYGMSSA-N 0 3 361.402 0.476 20 5 FCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](N2CCOCC2)CC1 ZINC000595470497 491933981 /nfs/dbraw/zinc/93/39/81/491933981.db2.gz ONGNRRCNCVCUDW-HNNXBMFYSA-N 0 3 350.419 0.943 20 5 FCBDHN COC(=O)c1cc(C)nc(N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000596462713 491987134 /nfs/dbraw/zinc/98/71/34/491987134.db2.gz OGKMMLHSQPHKOW-UHFFFAOYSA-N 0 3 367.406 0.541 20 5 FCBDHN COc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000603896436 492045159 /nfs/dbraw/zinc/04/51/59/492045159.db2.gz RAJLCHNWRWSZFU-UHFFFAOYSA-N 0 3 364.402 0.935 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598183939 492087868 /nfs/dbraw/zinc/08/78/68/492087868.db2.gz BWROEFRKPSKPIC-UHFFFAOYSA-N 0 3 365.434 0.875 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598185346 492087953 /nfs/dbraw/zinc/08/79/53/492087953.db2.gz ILIBTLHCDQWJIX-UHFFFAOYSA-N 0 3 354.382 0.755 20 5 FCBDHN Cc1c(CC(=O)N(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000598186094 492088026 /nfs/dbraw/zinc/08/80/26/492088026.db2.gz LDHILQVJYPHUHM-UHFFFAOYSA-N 0 3 350.419 0.924 20 5 FCBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233398 492146567 /nfs/dbraw/zinc/14/65/67/492146567.db2.gz SZUHIJAMBUGAJU-UHFFFAOYSA-N 0 3 363.440 0.307 20 5 FCBDHN CCN1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609161077 492199317 /nfs/dbraw/zinc/19/93/17/492199317.db2.gz VMWPLGQKDUAEGQ-UHFFFAOYSA-N 0 3 363.418 0.995 20 5 FCBDHN CCN(CCO)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599770229 492207033 /nfs/dbraw/zinc/20/70/33/492207033.db2.gz HUFDIAQKMWFHFV-UHFFFAOYSA-N 0 3 365.365 0.964 20 5 FCBDHN CN1CCC[C@@H](N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000609664589 492217702 /nfs/dbraw/zinc/21/77/02/492217702.db2.gz AOGGHXAKNVODQD-CQSZACIVSA-N 0 3 364.450 0.765 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599940071 492219050 /nfs/dbraw/zinc/21/90/50/492219050.db2.gz KQBBUHKQYJYQEZ-JTQLQIEISA-N 0 3 351.338 0.572 20 5 FCBDHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610810718 492263123 /nfs/dbraw/zinc/26/31/23/492263123.db2.gz YYNLUWLRCOBSFM-CYBMUJFWSA-N 0 3 356.448 0.823 20 5 FCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000610892236 492266622 /nfs/dbraw/zinc/26/66/22/492266622.db2.gz QSDXQIIBKQZICE-QGZVFWFLSA-N 0 3 359.386 0.545 20 5 FCBDHN CCNC(=O)N1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591754269 546939927 /nfs/dbraw/zinc/93/99/27/546939927.db2.gz FURBXTQBSIYHLI-QWHCGFSZSA-N 0 3 352.391 0.728 20 5 FCBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202595 546946517 /nfs/dbraw/zinc/94/65/17/546946517.db2.gz FWPMEEFNQSCUBI-VXGBXAGGSA-N 0 3 351.359 0.779 20 5 FCBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000592466650 546950207 /nfs/dbraw/zinc/95/02/07/546950207.db2.gz VQCKSMLOOIDRNS-NSHDSACASA-N 0 3 356.404 0.131 20 5 FCBDHN COC(=O)[C@@H]1CNCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592490537 546951299 /nfs/dbraw/zinc/95/12/99/546951299.db2.gz ZBLLCPBJJHZQCL-AWEZNQCLSA-N 0 3 350.375 0.760 20 5 FCBDHN C[N@@H+]1CCCN(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625409 606704974 /nfs/dbraw/zinc/70/49/74/606704974.db2.gz NAJYHPHKRHSNMP-UHFFFAOYSA-N 0 3 361.410 0.609 20 5 FCBDHN C[N@H+]1CCCN(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625409 606704975 /nfs/dbraw/zinc/70/49/75/606704975.db2.gz NAJYHPHKRHSNMP-UHFFFAOYSA-N 0 3 361.410 0.609 20 5 FCBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000762715013 667927507 /nfs/dbraw/zinc/92/75/07/667927507.db2.gz DWDLUQACSDXKDJ-HNNXBMFYSA-N 0 3 352.347 0.916 20 5 FCBDHN NS(=O)(=O)c1c(NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797684 668732340 /nfs/dbraw/zinc/73/23/40/668732340.db2.gz CALKYNXLBNXZGN-MNOVXSKESA-N 0 3 356.404 0.517 20 5 FCBDHN CC(COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813106215 669827706 /nfs/dbraw/zinc/82/77/06/669827706.db2.gz ASQSTAZBJPLPTQ-NSHDSACASA-N 0 3 358.372 0.530 20 5 FCBDHN NS(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000853241189 671544466 /nfs/dbraw/zinc/54/44/66/671544466.db2.gz JEHOQYULHIIIDS-RYUDHWBXSA-N 0 3 356.404 0.517 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855698840 671661213 /nfs/dbraw/zinc/66/12/13/671661213.db2.gz UGAJQLCWONVNMT-UHFFFAOYSA-N 0 3 355.370 0.408 20 5 FCBDHN CN1CCN(CC2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000868555755 672403760 /nfs/dbraw/zinc/40/37/60/672403760.db2.gz SIFMOAIKRVMXML-UHFFFAOYSA-N 0 3 350.394 0.982 20 5 FCBDHN CN(C)c1ccncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978796142 1186008477 /nfs/dbraw/zinc/00/84/77/1186008477.db2.gz QDAHUIKXCHIKQI-NWJSVONSSA-N 0 3 361.402 0.437 20 5 FCBDHN Cc1[nH]nc(C(C)C)c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058834272 1186214810 /nfs/dbraw/zinc/21/48/10/1186214810.db2.gz RIAMYFSCMYJPTQ-VXGBXAGGSA-N 0 3 367.406 0.057 20 5 FCBDHN Cc1n[nH]c(C(C)C)c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058834272 1186214816 /nfs/dbraw/zinc/21/48/16/1186214816.db2.gz RIAMYFSCMYJPTQ-VXGBXAGGSA-N 0 3 367.406 0.057 20 5 FCBDHN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CCCC1 ZINC000981764752 1186513985 /nfs/dbraw/zinc/51/39/85/1186513985.db2.gz BJIWNUSXFXYEMX-HUUCEWRRSA-N 0 3 364.446 0.635 20 5 FCBDHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261811595 1187785871 /nfs/dbraw/zinc/78/58/71/1187785871.db2.gz SPRNNPFGIKBXMX-MRXNPFEDSA-N 0 3 370.413 0.864 20 5 FCBDHN Nc1ccc2n(C(=O)[C@@H]3COC4(CNC4)CN3)c3ccccc3cc-2c1=O ZINC001219253752 1224403138 /nfs/dbraw/zinc/40/31/38/1224403138.db2.gz IOOJPBNUIFSDLQ-HNNXBMFYSA-N 0 3 364.405 0.659 20 5 FCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769701435 1200350850 /nfs/dbraw/zinc/35/08/50/1200350850.db2.gz OVCKPWADDBBCJZ-HNNXBMFYSA-N 0 3 363.418 0.850 20 5 FCBDHN Cc1ccc(N2CC[C@@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000819102566 1203149754 /nfs/dbraw/zinc/14/97/54/1203149754.db2.gz LOJZDANYMMPYPX-JKSUJKDBSA-N 0 3 359.386 0.856 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223233 1206266876 /nfs/dbraw/zinc/26/68/76/1206266876.db2.gz AHHXUUVHHWMQNY-FZKQIMNGSA-N 0 3 360.414 0.949 20 5 FCBDHN C[C@]1(C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000776592991 1209545264 /nfs/dbraw/zinc/54/52/64/1209545264.db2.gz SJELBMIKURJUPO-WMLDXEAASA-N 0 3 362.386 0.938 20 5 FCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197491 1211290548 /nfs/dbraw/zinc/29/05/48/1211290548.db2.gz OKRILMSKGCLGHA-ZIAGYGMSSA-N 0 3 372.385 0.769 20 5 FCBDHN O=C(N[C@H]1C[C@H](NCc2cnn(-c3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140502 1214313756 /nfs/dbraw/zinc/31/37/56/1214313756.db2.gz LEEZACSVJHTCSF-CZPYZCIJSA-N 0 3 356.386 0.669 20 5 FCBDHN COc1ccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)nn1 ZINC001050517024 1216328919 /nfs/dbraw/zinc/32/89/19/1216328919.db2.gz NAKJMBINMUHJGS-ZIAGYGMSSA-N 0 3 361.402 0.575 20 5 FCBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544524 1216352129 /nfs/dbraw/zinc/35/21/29/1216352129.db2.gz GBCHBJYTRVCDPZ-VXGBXAGGSA-N 0 3 367.406 0.057 20 5 FCBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccnc1 ZINC001055501198 1219060973 /nfs/dbraw/zinc/06/09/73/1219060973.db2.gz SMJRGXNJKXLCON-HUUCEWRRSA-N 0 3 361.402 0.057 20 5 FCBDHN CCCn1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530562 1221311227 /nfs/dbraw/zinc/31/12/27/1221311227.db2.gz DLDDXNUVRICRJQ-CHWSQXEVSA-N 0 3 365.438 0.657 20 5 FCBDHN CN(Cc1noc2c1COCC2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434134 1248920670 /nfs/dbraw/zinc/92/06/70/1248920670.db2.gz QORGGBYLVGTRID-IUODEOHRSA-N 0 3 364.402 0.835 20 5 FCBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001517379574 1265596988 /nfs/dbraw/zinc/59/69/88/1265596988.db2.gz LYMZRHCHNJDDFR-CQSZACIVSA-N 0 3 352.439 0.869 20 5 FCBDHN O=C(CCc1nnc[nH]1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060729967 1254131623 /nfs/dbraw/zinc/13/16/23/1254131623.db2.gz SWNRDYUMGLZRPZ-FDYHWXHSSA-N 0 3 364.406 0.194 20 5 FCBDHN CN1CCN(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001331096853 1266145840 /nfs/dbraw/zinc/14/58/40/1266145840.db2.gz HCIRTGMRZVEOCG-UHFFFAOYSA-N 0 3 365.438 0.213 20 5 FCBDHN NCC(=O)N[C@@H](CO)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211958848 1259431663 /nfs/dbraw/zinc/43/16/63/1259431663.db2.gz MHLDROBGFMSKEH-ZDUSSCGKSA-N 0 3 364.365 0.941 20 5 FCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001258148708 1260037451 /nfs/dbraw/zinc/03/74/51/1260037451.db2.gz CRRNSYGFZYNMDQ-HNNXBMFYSA-N 0 3 360.414 0.854 20 5 FCBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281575 1264610722 /nfs/dbraw/zinc/61/07/22/1264610722.db2.gz VTDFJTMXXWLXNT-STQMWFEESA-N 0 3 366.422 0.144 20 5 FCBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281570 1264611079 /nfs/dbraw/zinc/61/10/79/1264611079.db2.gz VTDFJTMXXWLXNT-CHWSQXEVSA-N 0 3 366.422 0.144 20 5 FCBDHN COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001341640355 1269125808 /nfs/dbraw/zinc/12/58/08/1269125808.db2.gz MYHOJKXTALKPKG-UONOGXRCSA-N 0 3 368.438 0.421 20 5 FCBDHN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCOC2(CNC2)C1 ZINC001580816217 1278981336 /nfs/dbraw/zinc/98/13/36/1278981336.db2.gz SQJGGPPBSOKRQA-UHFFFAOYSA-N 0 3 357.370 0.654 20 5 FCBDHN C[NH+]1CCC(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001579338730 1277181353 /nfs/dbraw/zinc/18/13/53/1277181353.db2.gz VEQSESGSDOYDRO-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN C[NH+]1CCC(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001579338730 1277181357 /nfs/dbraw/zinc/18/13/57/1277181357.db2.gz VEQSESGSDOYDRO-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN C[N@@H+]1CC[C@@](O)(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181340 1284281549 /nfs/dbraw/zinc/28/15/49/1284281549.db2.gz ZIAMVOJGFITSDB-MRXNPFEDSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@H+]1CC[C@@](O)(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181340 1284281559 /nfs/dbraw/zinc/28/15/59/1284281559.db2.gz ZIAMVOJGFITSDB-MRXNPFEDSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@@H+]1CC[C@@](O)(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181340 1284281569 /nfs/dbraw/zinc/28/15/69/1284281569.db2.gz ZIAMVOJGFITSDB-MRXNPFEDSA-N 0 3 370.373 0.802 20 5 FCBDHN C[N@H+]1CC[C@@](O)(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181340 1284281577 /nfs/dbraw/zinc/28/15/77/1284281577.db2.gz ZIAMVOJGFITSDB-MRXNPFEDSA-N 0 3 370.373 0.802 20 5 FCBDHN CN1CC[NH+](C2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)CC1 ZINC001591191672 1284308232 /nfs/dbraw/zinc/30/82/32/1284308232.db2.gz MJBIRZIQKCVMBM-UHFFFAOYSA-N 0 3 372.433 0.991 20 5 FCBDHN C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604683062 1287729820 /nfs/dbraw/zinc/72/98/20/1287729820.db2.gz QCUVHZRNNIUGNR-HAQNSBGRSA-N 0 3 374.405 0.786 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593470446 1286172100 /nfs/dbraw/zinc/17/21/00/1286172100.db2.gz NHXXITBCWBOVDR-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593470446 1286172107 /nfs/dbraw/zinc/17/21/07/1286172107.db2.gz NHXXITBCWBOVDR-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593470446 1286172113 /nfs/dbraw/zinc/17/21/13/1286172113.db2.gz NHXXITBCWBOVDR-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593470446 1286172118 /nfs/dbraw/zinc/17/21/18/1286172118.db2.gz NHXXITBCWBOVDR-LBPRGKRZSA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1-c1nnn[n-]1 ZINC001593471627 1286172689 /nfs/dbraw/zinc/17/26/89/1286172689.db2.gz PRXLFZLCRLKUKN-LBPRGKRZSA-N 0 3 359.390 0.933 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001593481240 1286174799 /nfs/dbraw/zinc/17/47/99/1286174799.db2.gz PPDJVSZPLSKTCM-QWHCGFSZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481240 1286174802 /nfs/dbraw/zinc/17/48/02/1286174802.db2.gz PPDJVSZPLSKTCM-QWHCGFSZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001593481240 1286174805 /nfs/dbraw/zinc/17/48/05/1286174805.db2.gz PPDJVSZPLSKTCM-QWHCGFSZSA-N 0 3 359.390 0.810 20 5 FCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481240 1286174809 /nfs/dbraw/zinc/17/48/09/1286174809.db2.gz PPDJVSZPLSKTCM-QWHCGFSZSA-N 0 3 359.390 0.810 20 5 FCBDHN CC(C)Cn1ncnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363507 842127690 /nfs/dbraw/zinc/12/76/90/842127690.db2.gz YDLITNNIRNKTJX-AAVRWANBSA-N 0 3 350.423 0.584 20 5 FCBDHN COc1nc(NCc2nnn3c2CNCCC3)nc(OC)c1[N+](=O)[O-] ZINC001155393964 849851057 /nfs/dbraw/zinc/85/10/57/849851057.db2.gz LHPZYSLPGLNCPF-UHFFFAOYSA-N 0 3 350.339 0.099 20 5 FCBDHN O=C(CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CC1 ZINC001160098149 850153573 /nfs/dbraw/zinc/15/35/73/850153573.db2.gz UZJLDPBCYCIIPR-HUUCEWRRSA-N 0 3 350.419 0.316 20 5 FCBDHN COC(=O)c1cc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)cc1OC ZINC001168740400 850592951 /nfs/dbraw/zinc/59/29/51/850592951.db2.gz IAVADRHZIFRTIO-UHFFFAOYSA-N 0 3 351.363 0.984 20 5 FCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273794 866405810 /nfs/dbraw/zinc/40/58/10/866405810.db2.gz OFEPAFYCEHJCQD-NWDGAFQWSA-N 0 3 368.415 0.551 20 5 FCBDHN COc1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC001304083378 866495350 /nfs/dbraw/zinc/49/53/50/866495350.db2.gz DKCWVCPBVDXEGF-SNVBAGLBSA-N 0 3 351.359 0.815 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599462210 998293278 /nfs/dbraw/zinc/29/32/78/998293278.db2.gz UOWBFOIOZLYVKQ-ZDUSSCGKSA-N 0 3 366.374 0.681 20 5 FCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599462210 998293286 /nfs/dbraw/zinc/29/32/86/998293286.db2.gz UOWBFOIOZLYVKQ-ZDUSSCGKSA-N 0 3 366.374 0.681 20 5 FCBDHN COC[C@@]1(C(=O)OC)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150297 214280419 /nfs/dbraw/zinc/28/04/19/214280419.db2.gz MADGXVSUQVEKGN-CXAGYDPISA-N 0 3 368.386 0.846 20 5 FCBDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265876267 210239849 /nfs/dbraw/zinc/23/98/49/210239849.db2.gz ZUACHMKNWGWEDU-NSHDSACASA-N 0 3 370.431 0.717 20 5 FCBDHN CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000265431198 210134239 /nfs/dbraw/zinc/13/42/39/210134239.db2.gz VJJZSHHYJLCCJD-UHFFFAOYSA-N 0 3 370.431 0.765 20 5 FCBDHN Cc1c(C(=O)NC2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265425743 210132494 /nfs/dbraw/zinc/13/24/94/210132494.db2.gz SOKMNXHEXYJDCT-UHFFFAOYSA-N 0 3 356.404 0.375 20 5 FCBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](N2CCCC2)C1 ZINC000361258750 215386771 /nfs/dbraw/zinc/38/67/71/215386771.db2.gz RGGXTVJPYALTFM-LBPRGKRZSA-N 0 3 372.381 0.888 20 5 FCBDHN Cc1c(NC(=O)CCN2CCC(S(N)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000361745651 215403119 /nfs/dbraw/zinc/40/31/19/215403119.db2.gz RXAUOXHGXDVZER-UHFFFAOYSA-N 0 3 370.431 0.985 20 5 FCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000411432723 236979039 /nfs/dbraw/zinc/97/90/39/236979039.db2.gz ZIOVFIBYCNGBNM-UHFFFAOYSA-N 0 3 352.391 0.845 20 5 FCBDHN COC1(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000277123553 212331665 /nfs/dbraw/zinc/33/16/65/212331665.db2.gz YYHGHKKQLFGVTJ-UHFFFAOYSA-N 0 3 373.431 0.658 20 5 FCBDHN COCCN(C)CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373357856 217011229 /nfs/dbraw/zinc/01/12/29/217011229.db2.gz GJAXSRMQBGPONM-UHFFFAOYSA-N 0 3 354.411 0.716 20 5 FCBDHN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000418025326 245746041 /nfs/dbraw/zinc/74/60/41/245746041.db2.gz UZXVFTMHZVXNOA-UHFFFAOYSA-N 0 3 356.404 0.373 20 5 FCBDHN C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424007871 247160847 /nfs/dbraw/zinc/16/08/47/247160847.db2.gz VOMMFBOTQAMDDH-VXGBXAGGSA-N 0 3 370.431 0.316 20 5 FCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424390757 247203830 /nfs/dbraw/zinc/20/38/30/247203830.db2.gz LHLGEDUNRQAKHJ-QWHCGFSZSA-N 0 3 365.415 0.752 20 5 FCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271104043 211337091 /nfs/dbraw/zinc/33/70/91/211337091.db2.gz UBEWWNQAXBLIJD-INIZCTEOSA-N 0 3 363.418 0.343 20 5 FCBDHN CS[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271010873 211316489 /nfs/dbraw/zinc/31/64/89/211316489.db2.gz GWGCBHKIEPEESQ-KGLIPLIRSA-N 0 3 366.443 0.829 20 5 FCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270889444 211293610 /nfs/dbraw/zinc/29/36/10/211293610.db2.gz QAWDVDYDEFVAQA-DOTOQJQBSA-N 0 3 373.413 0.791 20 5 FCBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583728 211229268 /nfs/dbraw/zinc/22/92/68/211229268.db2.gz RGQVLDSRDCIBLZ-ZIAGYGMSSA-N 0 3 366.418 0.620 20 5 FCBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000473267243 250212037 /nfs/dbraw/zinc/21/20/37/250212037.db2.gz ADLDJSVWIWHVLP-OAHLLOKOSA-N 0 3 373.431 0.431 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000481677555 250350637 /nfs/dbraw/zinc/35/06/37/250350637.db2.gz OHDXHPINIIPMAH-CABCVRRESA-N 0 3 373.413 0.941 20 5 FCBDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000266767964 210399458 /nfs/dbraw/zinc/39/94/58/210399458.db2.gz ZZJLFXXGJMZZOJ-UHFFFAOYSA-N 0 3 352.391 0.926 20 5 FCBDHN COc1cc(OCC(=O)N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000413821416 533091123 /nfs/dbraw/zinc/09/11/23/533091123.db2.gz RRPLUJJHOUIVMN-CYBMUJFWSA-N 0 3 367.402 0.945 20 5 FCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000161450844 229198589 /nfs/dbraw/zinc/19/85/89/229198589.db2.gz HPXOHCALBMGNIK-GFCCVEGCSA-N 0 3 351.812 0.839 20 5 FCBDHN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C ZINC000056967425 488261755 /nfs/dbraw/zinc/26/17/55/488261755.db2.gz POXJRHBRZXPIJU-JTQLQIEISA-N 0 3 358.420 0.717 20 5 FCBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CN1CCN(C)CC1 ZINC000074137664 488387745 /nfs/dbraw/zinc/38/77/45/488387745.db2.gz DWOGRIATEBERHH-LLVKDONJSA-N 0 3 353.398 0.929 20 5 FCBDHN COc1cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000268228376 488398621 /nfs/dbraw/zinc/39/86/21/488398621.db2.gz FAMCNNFCDNSGBW-UHFFFAOYSA-N 0 3 373.431 0.993 20 5 FCBDHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269097424 488469089 /nfs/dbraw/zinc/46/90/89/488469089.db2.gz RCIDCESOQKRMRU-CQSZACIVSA-N 0 3 370.431 0.411 20 5 FCBDHN CCCCNC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247196877 488482377 /nfs/dbraw/zinc/48/23/77/488482377.db2.gz BWZIZFVQJLDBFE-DZGCQCFKSA-N 0 3 353.423 0.781 20 5 FCBDHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248827897 488503423 /nfs/dbraw/zinc/50/34/23/488503423.db2.gz HDJOWKNSSQITJM-KKUMJFAQSA-N 0 3 353.419 0.721 20 5 FCBDHN O=C1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1F ZINC000563010556 491207791 /nfs/dbraw/zinc/20/77/91/491207791.db2.gz FRGBJPDTMRNHEK-YPMHNXCESA-N 0 3 363.349 0.686 20 5 FCBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000562989958 491206055 /nfs/dbraw/zinc/20/60/55/491206055.db2.gz UNMGQWJQAILWKZ-ZBFHGGJFSA-N 0 3 367.402 0.562 20 5 FCBDHN NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000262435680 488570112 /nfs/dbraw/zinc/57/01/12/488570112.db2.gz LKJVRFCEZPJORL-UHFFFAOYSA-N 0 3 356.404 0.261 20 5 FCBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000262451015 488571336 /nfs/dbraw/zinc/57/13/36/488571336.db2.gz FTNNNBFSOJJOQN-NSHDSACASA-N 0 3 356.404 0.131 20 5 FCBDHN CCC[C@@](C)([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262705737 488587315 /nfs/dbraw/zinc/58/73/15/488587315.db2.gz LXIQDDWVHJPRMG-CQSZACIVSA-N 0 3 358.420 0.507 20 5 FCBDHN C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000272551605 488588430 /nfs/dbraw/zinc/58/84/30/488588430.db2.gz KRDZJKOWMIKPAE-NEPJUHHUSA-N 0 3 370.431 0.424 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000262745777 488589732 /nfs/dbraw/zinc/58/97/32/488589732.db2.gz LNMVOWHNKIFNQO-JTQLQIEISA-N 0 3 357.388 0.644 20 5 FCBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1C[C@H]3CC[C@@H](C1)[NH2+]3)OCCO2 ZINC000262767941 488592044 /nfs/dbraw/zinc/59/20/44/488592044.db2.gz UXHJNGCIIJLNCJ-ZACCUICWSA-N 0 3 369.399 0.927 20 5 FCBDHN COCCN(CCN(C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264206039 488654733 /nfs/dbraw/zinc/65/47/33/488654733.db2.gz RZJURBBYQPECOA-UHFFFAOYSA-N 0 3 366.418 0.751 20 5 FCBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCCC1 ZINC000273536814 488657481 /nfs/dbraw/zinc/65/74/81/488657481.db2.gz SKGSHPAKEVAPNW-UONOGXRCSA-N 0 3 366.443 0.795 20 5 FCBDHN CN(C)[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264518620 488681629 /nfs/dbraw/zinc/68/16/29/488681629.db2.gz BXIXKTQHSKEHEL-NSHDSACASA-N 0 3 360.370 0.743 20 5 FCBDHN CCc1n[nH]c(C(=O)NCCCN2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000264588558 488688070 /nfs/dbraw/zinc/68/80/70/488688070.db2.gz APNRFZKBOMSJAS-UHFFFAOYSA-N 0 3 367.406 0.885 20 5 FCBDHN COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563083280 491214038 /nfs/dbraw/zinc/21/40/38/491214038.db2.gz FITUTYVLDJWJBT-CMPLNLGQSA-N 0 3 351.363 0.283 20 5 FCBDHN CCN(CCO)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274568155 488720300 /nfs/dbraw/zinc/72/03/00/488720300.db2.gz QQIDOLNTLIIVLZ-LBPRGKRZSA-N 0 3 352.391 0.144 20 5 FCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153018727 488726279 /nfs/dbraw/zinc/72/62/79/488726279.db2.gz PBHMRRAFLNSEMH-MRXNPFEDSA-N 0 3 360.414 0.902 20 5 FCBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000288364241 488974113 /nfs/dbraw/zinc/97/41/13/488974113.db2.gz HHYRXZXPMOFRMM-LBPRGKRZSA-N 0 3 374.401 0.640 20 5 FCBDHN Cc1nn(CCC(=O)N[C@@H](CO)CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000288642765 489000508 /nfs/dbraw/zinc/00/05/08/489000508.db2.gz XNDQCLKFHLWTSW-CQSZACIVSA-N 0 3 353.423 0.761 20 5 FCBDHN CN1CCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1(C)C ZINC000281591233 489089383 /nfs/dbraw/zinc/08/93/83/489089383.db2.gz GYHYZYMBZGPRSD-UHFFFAOYSA-N 0 3 371.463 0.680 20 5 FCBDHN CN(C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760018 489163516 /nfs/dbraw/zinc/16/35/16/489163516.db2.gz JYTVTZUXPZTASC-RHSMWYFYSA-N 0 3 362.386 0.817 20 5 FCBDHN CN(C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760017 489163773 /nfs/dbraw/zinc/16/37/73/489163773.db2.gz JYTVTZUXPZTASC-PBHICJAKSA-N 0 3 362.386 0.817 20 5 FCBDHN CN(C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762374 489164259 /nfs/dbraw/zinc/16/42/59/489164259.db2.gz KETKTPQNKJGJKR-YOEHRIQHSA-N 0 3 362.386 0.817 20 5 FCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563443045 491247088 /nfs/dbraw/zinc/24/70/88/491247088.db2.gz VMIWQYKKZMMQEV-CABZTGNLSA-N 0 3 350.400 0.701 20 5 FCBDHN COc1cc(CCNC(=O)C(C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000298522068 489334505 /nfs/dbraw/zinc/33/45/05/489334505.db2.gz WASOGQWFOGFPGX-SECBINFHSA-N 0 3 360.388 0.704 20 5 FCBDHN N[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000423094338 489492605 /nfs/dbraw/zinc/49/26/05/489492605.db2.gz JXWMYORLJDBHIU-ZDUSSCGKSA-N 0 3 356.404 0.117 20 5 FCBDHN NC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000415457611 489522304 /nfs/dbraw/zinc/52/23/04/489522304.db2.gz SZGAEWFHXSURJT-SNVBAGLBSA-N 0 3 358.301 0.988 20 5 FCBDHN COC(=O)c1cc(NC(=O)NC[C@H]2CNCCO2)c(C)c([N+](=O)[O-])c1 ZINC000415601620 489535145 /nfs/dbraw/zinc/53/51/45/489535145.db2.gz PWFJFVJPOCVFKN-LLVKDONJSA-N 0 3 352.347 0.800 20 5 FCBDHN CNc1nc(C(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456065115 489605971 /nfs/dbraw/zinc/60/59/71/489605971.db2.gz KVUCWIHXMRGUMI-GFCCVEGCSA-N 0 3 350.423 0.787 20 5 FCBDHN C[C@@H](CCC[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417686343 489661103 /nfs/dbraw/zinc/66/11/03/489661103.db2.gz ZVHWFYOOTSNVMD-NSHDSACASA-N 0 3 373.435 0.300 20 5 FCBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000563838287 491272264 /nfs/dbraw/zinc/27/22/64/491272264.db2.gz YOUQUSLPNBFTMT-JTQLQIEISA-N 0 3 356.810 0.973 20 5 FCBDHN COCCNCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418516450 489703990 /nfs/dbraw/zinc/70/39/90/489703990.db2.gz ZZBNEIZVHLZAQY-UHFFFAOYSA-N 0 3 351.407 0.662 20 5 FCBDHN COC(=O)COc1ccc(CNCCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474362478 489756764 /nfs/dbraw/zinc/75/67/64/489756764.db2.gz OCHMHRNQXZFKAZ-ZDUSSCGKSA-N 0 3 367.402 0.957 20 5 FCBDHN COC1CCN(C(C)(C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000490333939 489762352 /nfs/dbraw/zinc/76/23/52/489762352.db2.gz CEJQWHYAAKOGIS-UHFFFAOYSA-N 0 3 368.438 0.980 20 5 FCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869148 489767202 /nfs/dbraw/zinc/76/72/02/489767202.db2.gz OJQQNMWSTCTGEC-SMDDNHRTSA-N 0 3 364.402 0.483 20 5 FCBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000376664549 489772818 /nfs/dbraw/zinc/77/28/18/489772818.db2.gz QFSDUDQOSQCBLL-MFKMUULPSA-N 0 3 368.415 0.408 20 5 FCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000490632859 489777859 /nfs/dbraw/zinc/77/78/59/489777859.db2.gz YZXDUVTXBHBTMY-WBVHZDCISA-N 0 3 363.462 0.714 20 5 FCBDHN Cc1c([C@H]2OCC[C@@H]2NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000431942871 489823928 /nfs/dbraw/zinc/82/39/28/489823928.db2.gz RASXHFPKCOAAHV-VHDGCEQUSA-N 0 3 350.379 0.314 20 5 FCBDHN CN(C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494131750 489871381 /nfs/dbraw/zinc/87/13/81/489871381.db2.gz IQONBHAGTAJYFY-CQSZACIVSA-N 0 3 370.431 0.426 20 5 FCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476360511 489882773 /nfs/dbraw/zinc/88/27/73/489882773.db2.gz YBIOIDLEQGWFPV-LLVKDONJSA-N 0 3 352.395 0.001 20 5 FCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000476664133 489907612 /nfs/dbraw/zinc/90/76/12/489907612.db2.gz UFVGLZAQVPHTDY-AWEZNQCLSA-N 0 3 359.386 0.825 20 5 FCBDHN CN(C)Cc1ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000477474055 489968113 /nfs/dbraw/zinc/96/81/13/489968113.db2.gz JMKIIZQZWBWEIR-UHFFFAOYSA-N 0 3 353.404 0.831 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c2ncccc12 ZINC000420481089 489983635 /nfs/dbraw/zinc/98/36/35/489983635.db2.gz QDWFUZGBBNPZTF-JTQLQIEISA-N 0 3 352.372 0.410 20 5 FCBDHN CCN(CC)CC(=O)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420586212 489999085 /nfs/dbraw/zinc/99/90/85/489999085.db2.gz OSTIPFURXSEMBY-UHFFFAOYSA-N 0 3 363.418 0.684 20 5 FCBDHN COCCN(C)CCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465020709 490075536 /nfs/dbraw/zinc/07/55/36/490075536.db2.gz IWRYABKCQZCUNF-UHFFFAOYSA-N 0 3 367.402 0.993 20 5 FCBDHN CN(C[C@H]1CCCN1C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000421707503 490099249 /nfs/dbraw/zinc/09/92/49/490099249.db2.gz XSCGEHOEMGGVEA-CYBMUJFWSA-N 0 3 362.386 0.873 20 5 FCBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462866 490164387 /nfs/dbraw/zinc/16/43/87/490164387.db2.gz PZKAEACAAWGGKL-AAEUAGOBSA-N 0 3 350.423 0.724 20 5 FCBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462866 490164393 /nfs/dbraw/zinc/16/43/93/490164393.db2.gz PZKAEACAAWGGKL-AAEUAGOBSA-N 0 3 350.423 0.724 20 5 FCBDHN COC[C@H](C)OC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305190 490216239 /nfs/dbraw/zinc/21/62/39/490216239.db2.gz LDAUMGWYZWMYDN-GUTXKFCHSA-N 0 3 354.407 0.888 20 5 FCBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000481361328 490227420 /nfs/dbraw/zinc/22/74/20/490227420.db2.gz ASHLRYJOVNEKBD-UHFFFAOYSA-N 0 3 353.379 0.333 20 5 FCBDHN CN(C)CCO[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000534496348 490371105 /nfs/dbraw/zinc/37/11/05/490371105.db2.gz BCIUARNLKNNLCT-NSHDSACASA-N 0 3 358.420 0.399 20 5 FCBDHN COC(=O)CNC(=O)c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450795048 490489618 /nfs/dbraw/zinc/48/96/18/490489618.db2.gz QJCZFPOCDHFRDG-SWLSCSKDSA-N 0 3 362.386 0.638 20 5 FCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H](N)C2CCC2)c([N+](=O)[O-])c1 ZINC000422933162 490501767 /nfs/dbraw/zinc/50/17/67/490501767.db2.gz HGIAFCDYJMQCCM-CQSZACIVSA-N 0 3 370.431 0.654 20 5 FCBDHN CC(=O)N1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000523977065 490506181 /nfs/dbraw/zinc/50/61/81/490506181.db2.gz UKYRUONWCHPGEO-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CN(CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000485617537 490548301 /nfs/dbraw/zinc/54/83/01/490548301.db2.gz FDPDOTKMZLXJJF-UHFFFAOYSA-N 0 3 360.374 0.298 20 5 FCBDHN COc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000524709629 490551969 /nfs/dbraw/zinc/55/19/69/490551969.db2.gz RCOJXDDQJZHMGJ-UHFFFAOYSA-N 0 3 374.463 0.717 20 5 FCBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000500790859 490553061 /nfs/dbraw/zinc/55/30/61/490553061.db2.gz BMRZZFZYNTYYFZ-UHFFFAOYSA-N 0 3 359.386 0.742 20 5 FCBDHN C[C@H]1CN(C)C[C@@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159081 490698603 /nfs/dbraw/zinc/69/86/03/490698603.db2.gz WKAMQUVQKRGTKG-FZMZJTMJSA-N 0 3 355.416 0.682 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000537962892 490703712 /nfs/dbraw/zinc/70/37/12/490703712.db2.gz PCWNXNDKMGFORC-SMDDNHRTSA-N 0 3 371.415 0.715 20 5 FCBDHN C[C@@H]1CN(C[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000488745203 490773883 /nfs/dbraw/zinc/77/38/83/490773883.db2.gz KUXDAIOXWUFODD-FMKPAKJESA-N 0 3 367.450 0.898 20 5 FCBDHN CS[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1N(C)C ZINC000540296944 490814084 /nfs/dbraw/zinc/81/40/84/490814084.db2.gz IGWWLDORHPAXFQ-NEPJUHHUSA-N 0 3 360.461 0.724 20 5 FCBDHN COc1cc(OC)c(OC)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515283274 490815690 /nfs/dbraw/zinc/81/56/90/490815690.db2.gz WYEFMPYZHONISW-CYBMUJFWSA-N 0 3 366.374 0.968 20 5 FCBDHN COc1cc(OC)c(OC)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515283275 490815744 /nfs/dbraw/zinc/81/57/44/490815744.db2.gz WYEFMPYZHONISW-ZDUSSCGKSA-N 0 3 366.374 0.968 20 5 FCBDHN COc1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000541142136 490852038 /nfs/dbraw/zinc/85/20/38/490852038.db2.gz BIUZMPMINFYOFS-UHFFFAOYSA-N 0 3 366.374 0.115 20 5 FCBDHN CC[C@H](CNS(C)(=O)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517359866 490905572 /nfs/dbraw/zinc/90/55/72/490905572.db2.gz UFNSOWZEBHWGPW-LLVKDONJSA-N 0 3 358.420 0.841 20 5 FCBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565240013 491363666 /nfs/dbraw/zinc/36/36/66/491363666.db2.gz PRYLJDDYUKIZNL-UWVGGRQHSA-N 0 3 374.806 0.181 20 5 FCBDHN CN(C)CCOCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000543388296 490931579 /nfs/dbraw/zinc/93/15/79/490931579.db2.gz SOAWBFZLENRQKH-UHFFFAOYSA-N 0 3 353.375 0.603 20 5 FCBDHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000519000514 490958716 /nfs/dbraw/zinc/95/87/16/490958716.db2.gz DTAWQDGBZCENNH-NWDGAFQWSA-N 0 3 368.415 0.144 20 5 FCBDHN CCN(CC)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000519187633 490964984 /nfs/dbraw/zinc/96/49/84/490964984.db2.gz YRYMDNADTSKEIV-UHFFFAOYSA-N 0 3 358.420 0.331 20 5 FCBDHN NC(=O)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000544459468 490969128 /nfs/dbraw/zinc/96/91/28/490969128.db2.gz SMDIKPGNCJTRIF-CYBMUJFWSA-N 0 3 350.375 0.454 20 5 FCBDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573084486 491411142 /nfs/dbraw/zinc/41/11/42/491411142.db2.gz XYIMVZVFLHWFQG-GXTWGEPZSA-N 0 3 373.431 0.348 20 5 FCBDHN CN(C)CCn1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000573106863 491413168 /nfs/dbraw/zinc/41/31/68/491413168.db2.gz OKJYORTXBNUZCO-UHFFFAOYSA-N 0 3 373.417 0.710 20 5 FCBDHN CNc1nccc(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000566688313 491460605 /nfs/dbraw/zinc/46/06/05/491460605.db2.gz ZCVSJFMUOFMJCY-UHFFFAOYSA-N 0 3 350.423 0.789 20 5 FCBDHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000574083794 491473623 /nfs/dbraw/zinc/47/36/23/491473623.db2.gz AXFRZZXEOSGCLF-CYBMUJFWSA-N 0 3 370.431 0.473 20 5 FCBDHN CC1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000574454101 491498045 /nfs/dbraw/zinc/49/80/45/491498045.db2.gz PIIJZXNYVDHCJS-UHFFFAOYSA-N 0 3 356.404 0.131 20 5 FCBDHN Cc1c(Br)c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000574532759 491502892 /nfs/dbraw/zinc/50/28/92/491502892.db2.gz QDPYIGMBNIXQGK-BDAKNGLRSA-N 0 3 370.207 0.809 20 5 FCBDHN CCOC(=O)c1cc(C(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000567383497 491503204 /nfs/dbraw/zinc/50/32/04/491503204.db2.gz DVJGLIVRUBSEAU-CQSZACIVSA-N 0 3 350.375 0.486 20 5 FCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567387406 491503304 /nfs/dbraw/zinc/50/33/04/491503304.db2.gz PBBOXPKQJNHCQF-UHFFFAOYSA-N 0 3 350.423 0.864 20 5 FCBDHN COC(=O)c1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000574550146 491504643 /nfs/dbraw/zinc/50/46/43/491504643.db2.gz POKRBICCEGWKHG-JTQLQIEISA-N 0 3 366.374 0.178 20 5 FCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CCN2C1=O ZINC000575196031 491544956 /nfs/dbraw/zinc/54/49/56/491544956.db2.gz BWRSTANUIMHUAE-VXGBXAGGSA-N 0 3 370.369 0.165 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)C2CCOCC2)cc1 ZINC000575312348 491548209 /nfs/dbraw/zinc/54/82/09/491548209.db2.gz NDDJMCKYNMSLKK-OAHLLOKOSA-N 0 3 358.416 0.746 20 5 FCBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NCCN(C)C ZINC000568651287 491597151 /nfs/dbraw/zinc/59/71/51/491597151.db2.gz ACJFVNXKDXFLQW-SECBINFHSA-N 0 3 374.344 0.992 20 5 FCBDHN CCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540383 491602446 /nfs/dbraw/zinc/60/24/46/491602446.db2.gz WTLIOPAGOGUZDL-CJNGLKHVSA-N 0 3 350.375 0.674 20 5 FCBDHN CCN(Cc1ccccc1)C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577364817 491614974 /nfs/dbraw/zinc/61/49/74/491614974.db2.gz BZKSEUWCBLSMHP-INIZCTEOSA-N 0 3 361.402 0.791 20 5 FCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000569011125 491627139 /nfs/dbraw/zinc/62/71/39/491627139.db2.gz XXEOAAPWOSPOKY-WCQYABFASA-N 0 3 370.431 0.935 20 5 FCBDHN CS(=O)(=O)Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577948177 491664906 /nfs/dbraw/zinc/66/49/06/491664906.db2.gz QFTCRAVRLYEFIN-OAHLLOKOSA-N 0 3 368.415 0.487 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCN(CCCO)C2)cc1 ZINC000579108690 491691113 /nfs/dbraw/zinc/69/11/13/491691113.db2.gz FMLACNLIQJZEAS-AWEZNQCLSA-N 0 3 371.459 0.805 20 5 FCBDHN COc1ccc(CC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000579610661 491701615 /nfs/dbraw/zinc/70/16/15/491701615.db2.gz AVEIIDXQEPSQMF-LLVKDONJSA-N 0 3 352.391 0.328 20 5 FCBDHN Cc1[nH]cnc1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000580336418 491726850 /nfs/dbraw/zinc/72/68/50/491726850.db2.gz MIRWHJLBXLQUEC-UHFFFAOYSA-N 0 3 355.358 1.340 20 5 FCBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000580436046 491731195 /nfs/dbraw/zinc/73/11/95/491731195.db2.gz RAVNOHUFYMFMBJ-LBPRGKRZSA-N 0 3 358.416 0.891 20 5 FCBDHN Cc1nn(CCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860619 491750538 /nfs/dbraw/zinc/75/05/38/491750538.db2.gz KEUQZSKKXPBJNC-KGLIPLIRSA-N 0 3 351.407 0.466 20 5 FCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000589101382 491755310 /nfs/dbraw/zinc/75/53/10/491755310.db2.gz BJDQZUVWMWLGGX-LBPRGKRZSA-N 0 3 372.447 0.714 20 5 FCBDHN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101797 491755464 /nfs/dbraw/zinc/75/54/64/491755464.db2.gz LIUAWZJZTQRFNU-GFCCVEGCSA-N 0 3 374.463 0.960 20 5 FCBDHN NS(=O)(=O)c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000589112139 491755618 /nfs/dbraw/zinc/75/56/18/491755618.db2.gz CVJVWWGPJJLFJC-GFCCVEGCSA-N 0 3 370.431 0.401 20 5 FCBDHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000590369433 491773951 /nfs/dbraw/zinc/77/39/51/491773951.db2.gz GITQERNEBULUAY-VIFPVBQESA-N 0 3 358.782 0.017 20 5 FCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000590371870 491774313 /nfs/dbraw/zinc/77/43/13/491774313.db2.gz LKNAGGHIONGVPQ-QWHCGFSZSA-N 0 3 368.438 0.400 20 5 FCBDHN COCCN(C)C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809631 /nfs/dbraw/zinc/80/96/31/491809631.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 0 3 353.423 0.415 20 5 FCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000591685931 491818777 /nfs/dbraw/zinc/81/87/77/491818777.db2.gz AEWQCFJSANZAEH-GARJFASQSA-N 0 3 354.338 0.609 20 5 FCBDHN CCc1n[n-]c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000583080846 491837548 /nfs/dbraw/zinc/83/75/48/491837548.db2.gz XYGAVNDJHWKMBM-LBPRGKRZSA-N 0 3 364.406 0.305 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2CCCCS2(=O)=O)c1 ZINC000583808372 491852348 /nfs/dbraw/zinc/85/23/48/491852348.db2.gz OVHYLLZLZOKIKZ-HIFRSBDPSA-N 0 3 358.416 0.891 20 5 FCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CCCCS2(=O)=O)c1 ZINC000583808373 491852461 /nfs/dbraw/zinc/85/24/61/491852461.db2.gz OVHYLLZLZOKIKZ-UKRRQHHQSA-N 0 3 358.416 0.891 20 5 FCBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594877382 491870269 /nfs/dbraw/zinc/87/02/69/491870269.db2.gz PBTYERUCVLTJFS-ZKYQVNSYSA-N 0 3 364.427 0.846 20 5 FCBDHN CN(CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000600817551 491884452 /nfs/dbraw/zinc/88/44/52/491884452.db2.gz PEOWGYMNHLFLMG-UHFFFAOYSA-N 0 3 370.431 0.474 20 5 FCBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(N)c([N+](=O)[O-])n2)c1 ZINC000596105372 491975385 /nfs/dbraw/zinc/97/53/85/491975385.db2.gz OVDWFHUCMJHHSG-UHFFFAOYSA-N 0 3 358.402 1.476 20 5 FCBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000596220865 491979963 /nfs/dbraw/zinc/97/99/63/491979963.db2.gz DYMKXHNIYMODOL-LLVKDONJSA-N 0 3 372.447 0.524 20 5 FCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000602784725 491998123 /nfs/dbraw/zinc/99/81/23/491998123.db2.gz JMEWRTGKKNEDLV-AWEZNQCLSA-N 0 3 350.423 0.338 20 5 FCBDHN COCC(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000603681931 492040051 /nfs/dbraw/zinc/04/00/51/492040051.db2.gz OOBIQXIPDSLTEQ-HNNXBMFYSA-N 0 3 367.402 0.562 20 5 FCBDHN Cc1cc(OCC(=O)N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000597696724 492059936 /nfs/dbraw/zinc/05/99/36/492059936.db2.gz XMMAONLJMBRJCT-UHFFFAOYSA-N 0 3 362.430 0.988 20 5 FCBDHN CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342432 492095399 /nfs/dbraw/zinc/09/53/99/492095399.db2.gz IOJNMNLGWVLUHA-CYBMUJFWSA-N 0 3 364.402 0.934 20 5 FCBDHN COC(=O)c1ccnc(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000598589069 492105964 /nfs/dbraw/zinc/10/59/64/492105964.db2.gz CUTHTJFQACQDNL-UHFFFAOYSA-N 0 3 351.407 1.216 20 5 FCBDHN [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598669924 492112825 /nfs/dbraw/zinc/11/28/25/492112825.db2.gz NVUCXCGGPYLUNX-ABAIWWIYSA-N 0 3 368.415 0.213 20 5 FCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571504 492214363 /nfs/dbraw/zinc/21/43/63/492214363.db2.gz BMFFLVNZXKKJQT-GFCCVEGCSA-N 0 3 350.423 0.535 20 5 FCBDHN CCN1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609582962 492215089 /nfs/dbraw/zinc/21/50/89/492215089.db2.gz FXNDHYSFNDASNT-UHFFFAOYSA-N 0 3 350.375 0.691 20 5 FCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(CN)CCOCC1 ZINC000599898404 492215746 /nfs/dbraw/zinc/21/57/46/492215746.db2.gz UMUNMXJRYYMESU-UHFFFAOYSA-N 0 3 352.347 0.166 20 5 FCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000619669935 492275617 /nfs/dbraw/zinc/27/56/17/492275617.db2.gz WFKSUDLRTCEWNL-OAHLLOKOSA-N 0 3 362.386 0.903 20 5 FCBDHN CC(C)NS(=O)(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591763656 546939657 /nfs/dbraw/zinc/93/96/57/546939657.db2.gz XDYQFSBSRSOVCY-UHFFFAOYSA-N 0 3 373.435 0.345 20 5 FCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)Cn2cccn2)cc1 ZINC000591760395 546940063 /nfs/dbraw/zinc/94/00/63/546940063.db2.gz AENPVNUPAFPKPO-CYBMUJFWSA-N 0 3 354.388 0.216 20 5 FCBDHN CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544724 546953254 /nfs/dbraw/zinc/95/32/54/546953254.db2.gz IKPKKVQTTKOLPX-VXGBXAGGSA-N 0 3 370.431 0.459 20 5 FCBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760373 547005677 /nfs/dbraw/zinc/00/56/77/547005677.db2.gz RPTZUUDXHZYTOZ-UHFFFAOYSA-N 0 3 360.436 0.969 20 5 FCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854197 599060311 /nfs/dbraw/zinc/06/03/11/599060311.db2.gz BJCFBWPUTYUJGW-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854197 599060312 /nfs/dbraw/zinc/06/03/12/599060312.db2.gz BJCFBWPUTYUJGW-CQSZACIVSA-N 0 3 372.433 0.991 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737746878 598374277 /nfs/dbraw/zinc/37/42/77/598374277.db2.gz SSNAWSURXPMKAO-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737746878 598374279 /nfs/dbraw/zinc/37/42/79/598374279.db2.gz SSNAWSURXPMKAO-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737746878 598374281 /nfs/dbraw/zinc/37/42/81/598374281.db2.gz SSNAWSURXPMKAO-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737746878 598374283 /nfs/dbraw/zinc/37/42/83/598374283.db2.gz SSNAWSURXPMKAO-GFCCVEGCSA-N 0 3 374.405 0.774 20 5 FCBDHN C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736768954 598756003 /nfs/dbraw/zinc/75/60/03/598756003.db2.gz KJPVZUBSLDAXDX-UHFFFAOYSA-N 0 3 362.394 0.717 20 5 FCBDHN C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736768954 598756005 /nfs/dbraw/zinc/75/60/05/598756005.db2.gz KJPVZUBSLDAXDX-UHFFFAOYSA-N 0 3 362.394 0.717 20 5 FCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226612 608438624 /nfs/dbraw/zinc/43/86/24/608438624.db2.gz CPBWTLVMUYJBHD-MNOVXSKESA-N 0 3 350.408 0.652 20 5 FCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000826226612 608438626 /nfs/dbraw/zinc/43/86/26/608438626.db2.gz CPBWTLVMUYJBHD-MNOVXSKESA-N 0 3 350.408 0.652 20 5 FCBDHN C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824570925 608491946 /nfs/dbraw/zinc/49/19/46/608491946.db2.gz OQKVVRJYMRAPJG-IINYFYTJSA-N 0 3 358.362 0.683 20 5 FCBDHN C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570925 608491947 /nfs/dbraw/zinc/49/19/47/608491947.db2.gz OQKVVRJYMRAPJG-IINYFYTJSA-N 0 3 358.362 0.683 20 5 FCBDHN COCCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429745 666921158 /nfs/dbraw/zinc/92/11/58/666921158.db2.gz VUAPRESDIQZKMO-VXGBXAGGSA-N 0 3 353.379 0.004 20 5 FCBDHN CCOC(=O)N(C)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743845809 668052918 /nfs/dbraw/zinc/05/29/18/668052918.db2.gz QBVWFSAGNWZQKY-AWEZNQCLSA-N 0 3 355.395 0.705 20 5 FCBDHN O=C1NCC2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)O1 ZINC000781994425 668542302 /nfs/dbraw/zinc/54/23/02/668542302.db2.gz PMLAIZXMCFDQFE-LBPRGKRZSA-N 0 3 351.359 0.909 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801205 668732270 /nfs/dbraw/zinc/73/22/70/668732270.db2.gz QCQMAPNXRUGXFT-DGCLKSJQSA-N 0 3 356.404 0.517 20 5 FCBDHN NS(=O)(=O)c1cc(NC[C@@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801206 668732302 /nfs/dbraw/zinc/73/23/02/668732302.db2.gz QCQMAPNXRUGXFT-WCQYABFASA-N 0 3 356.404 0.517 20 5 FCBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCNS(=O)(=O)c2cccnc2)cc1 ZINC000819180633 668986255 /nfs/dbraw/zinc/98/62/55/668986255.db2.gz UVORZZCZXXHTNB-OAHLLOKOSA-N 0 3 366.399 0.591 20 5 FCBDHN COc1cc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)on1 ZINC001050516504 676085273 /nfs/dbraw/zinc/08/52/73/676085273.db2.gz DGACVPAFDWZIDE-CHWSQXEVSA-N 0 3 350.375 0.773 20 5 FCBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCCCC1 ZINC001025776673 1182832419 /nfs/dbraw/zinc/83/24/19/1182832419.db2.gz DWBCVFYWLJZUMR-GAGVYUBLSA-N 0 3 364.446 0.491 20 5 FCBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000593908328 1196838659 /nfs/dbraw/zinc/83/86/59/1196838659.db2.gz MGLGSMBNMSZFFW-HNNXBMFYSA-N 0 3 359.386 0.866 20 5 FCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786863962 1200855598 /nfs/dbraw/zinc/85/55/98/1200855598.db2.gz AFCGRUAVOJPQDD-OAHLLOKOSA-N 0 3 361.402 0.731 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808161086 1202875140 /nfs/dbraw/zinc/87/51/40/1202875140.db2.gz QHNYQMZBTZXIPC-DCGLDWPTSA-N 0 3 374.397 0.755 20 5 FCBDHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808222917 1202876729 /nfs/dbraw/zinc/87/67/29/1202876729.db2.gz PSBOBJOYGQEZLC-WBMJQRKESA-N 0 3 362.386 0.661 20 5 FCBDHN COCCCCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131353964 1202888860 /nfs/dbraw/zinc/88/88/60/1202888860.db2.gz KMWUEASJYBWFLW-HUUCEWRRSA-N 0 3 370.450 0.119 20 5 FCBDHN O=C(NC1CC1)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036897 1202939848 /nfs/dbraw/zinc/93/98/48/1202939848.db2.gz ATJQGAUMSIEIOT-UKRRQHHQSA-N 0 3 367.406 0.895 20 5 FCBDHN O=C(NC1CC1)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036896 1202940135 /nfs/dbraw/zinc/94/01/35/1202940135.db2.gz ATJQGAUMSIEIOT-HIFRSBDPSA-N 0 3 367.406 0.895 20 5 FCBDHN Cc1ccc(N2CC[C@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000819102564 1203150071 /nfs/dbraw/zinc/15/00/71/1203150071.db2.gz LOJZDANYMMPYPX-HOTGVXAUSA-N 0 3 359.386 0.856 20 5 FCBDHN CN(C)CCN(CC(=O)N(C)C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000853834871 1209606974 /nfs/dbraw/zinc/60/69/74/1209606974.db2.gz XMMIDXRHGZQNFF-UHFFFAOYSA-N 0 3 363.418 0.936 20 5 FCBDHN O=C(c1cncc2nc[nH]c21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019015354 1214180086 /nfs/dbraw/zinc/18/00/86/1214180086.db2.gz SPJBOAAWOGUJSK-ZWNOBZJWSA-N 0 3 370.369 0.298 20 5 FCBDHN Cn1nnc(CNCC(C)(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001101540567 1220377512 /nfs/dbraw/zinc/37/75/12/1220377512.db2.gz JUQYROKEXQKRMT-CHWSQXEVSA-N 0 3 365.438 0.230 20 5 FCBDHN O=C(NCCO)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784139947 1221232174 /nfs/dbraw/zinc/23/21/74/1221232174.db2.gz ZOBBXVVKHMDYDV-CQSZACIVSA-N 0 3 367.402 0.155 20 5 FCBDHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(N[C@H]2CCOC2)C1 ZINC001157012483 1223065747 /nfs/dbraw/zinc/06/57/47/1223065747.db2.gz GGRUYYQZMCPFKR-ZBEGNZNMSA-N 0 3 360.370 0.677 20 5 FCBDHN O=C(CN1CCCC1)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275254 1245307978 /nfs/dbraw/zinc/30/79/78/1245307978.db2.gz GLASCBSKHRJGSU-KRWDZBQOSA-N 0 3 362.430 0.868 20 5 FCBDHN CC1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001005378635 1253538295 /nfs/dbraw/zinc/53/82/95/1253538295.db2.gz NWONVAIOSCFWEQ-HZPDHXFCSA-N 0 3 366.462 0.833 20 5 FCBDHN CC(=O)N1CC(=O)NC[C@@]12CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555929 1259890209 /nfs/dbraw/zinc/89/02/09/1259890209.db2.gz JQEFHAVBYSFXCK-FZKQIMNGSA-N 0 3 360.414 0.949 20 5 FCBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001319730633 1263725456 /nfs/dbraw/zinc/72/54/56/1263725456.db2.gz VBORNFULBUXTKU-OCCSQVGLSA-N 0 3 364.450 0.735 20 5 FCBDHN C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC001323906170 1264537821 /nfs/dbraw/zinc/53/78/21/1264537821.db2.gz QQICXHDFGUPGPY-CHWSQXEVSA-N 0 3 366.422 0.144 20 5 FCBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001342895416 1269667633 /nfs/dbraw/zinc/66/76/33/1269667633.db2.gz QAXUXBRNWQDGLR-UHFFFAOYSA-N 0 3 365.482 0.927 20 5 FCBDHN C[C@](N)(C(=O)N[C@@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082302 1272854010 /nfs/dbraw/zinc/85/40/10/1272854010.db2.gz XBSLVHCZKAICBC-RHSMWYFYSA-N 0 3 350.419 0.732 20 5 FCBDHN C[C@@]1(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CNCCO1 ZINC001576518092 1273402981 /nfs/dbraw/zinc/40/29/81/1273402981.db2.gz SFZNBUSFNVYVNS-KRWDZBQOSA-N 0 3 359.386 0.948 20 5 FCBDHN C[NH+](C)CC1(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001591012962 1284072289 /nfs/dbraw/zinc/07/22/89/1284072289.db2.gz KVWMUDHBMXFFNX-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN C[NH+](C)CC1(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001591012962 1284072299 /nfs/dbraw/zinc/07/22/99/1284072299.db2.gz KVWMUDHBMXFFNX-UHFFFAOYSA-N 0 3 374.405 0.645 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284366 1289046628 /nfs/dbraw/zinc/04/66/28/1289046628.db2.gz MJOASXITRYNYTH-ZDUSSCGKSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284366 1289046630 /nfs/dbraw/zinc/04/66/30/1289046630.db2.gz MJOASXITRYNYTH-ZDUSSCGKSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284366 1289046635 /nfs/dbraw/zinc/04/66/35/1289046635.db2.gz MJOASXITRYNYTH-ZDUSSCGKSA-N 0 3 373.421 0.386 20 5 FCBDHN C[N@H+]1CCC[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284366 1289046640 /nfs/dbraw/zinc/04/66/40/1289046640.db2.gz MJOASXITRYNYTH-ZDUSSCGKSA-N 0 3 373.421 0.386 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001593487446 1286176453 /nfs/dbraw/zinc/17/64/53/1286176453.db2.gz OACPVOPPOSPLPV-LLVKDONJSA-N 0 3 362.325 0.261 20 5 FCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001593487446 1286176457 /nfs/dbraw/zinc/17/64/57/1286176457.db2.gz OACPVOPPOSPLPV-LLVKDONJSA-N 0 3 362.325 0.261 20 5 FCBDHN Nc1cc[nH+]c2c1CN(c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CC2 ZINC001606452206 1288324855 /nfs/dbraw/zinc/32/48/55/1288324855.db2.gz HEKNWAXVIJJEQK-UHFFFAOYSA-N 0 3 353.346 0.897 20 5 FCBDHN Nc1cc[nH+]c2c1CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CC2 ZINC001606452206 1288324861 /nfs/dbraw/zinc/32/48/61/1288324861.db2.gz HEKNWAXVIJJEQK-UHFFFAOYSA-N 0 3 353.346 0.897 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086013 1288653193 /nfs/dbraw/zinc/65/31/93/1288653193.db2.gz HCTCBCNFWDAVCT-STQMWFEESA-N 0 3 360.378 0.205 20 5 FCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(-c2nnn[n-]2)c1 ZINC001607086013 1288653195 /nfs/dbraw/zinc/65/31/95/1288653195.db2.gz HCTCBCNFWDAVCT-STQMWFEESA-N 0 3 360.378 0.205 20 5 FCBDHN O=c1c2c(ncn1Cc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001607089588 1288656006 /nfs/dbraw/zinc/65/60/06/1288656006.db2.gz BROYCZXOYXWAEG-UHFFFAOYSA-N 0 3 368.357 0.068 20 5 FCBDHN O=c1c2c(ncn1Cc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001607089588 1288656008 /nfs/dbraw/zinc/65/60/08/1288656008.db2.gz BROYCZXOYXWAEG-UHFFFAOYSA-N 0 3 368.357 0.068 20 5 FCBDHN CN(C)Cc1ccsc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688336553 1294482513 /nfs/dbraw/zinc/48/25/13/1294482513.db2.gz XBAQVJRAQLAFAQ-VXGBXAGGSA-N 0 3 354.432 0.663 20 5 FCBDHN