smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N(C)C)c1 ZINC000097335767 927341036 /nfs/dbraw/zinc/34/10/36/927341036.db2.gz UVTTVWWXIUHDHC-IBGZPJMESA-N 0 3 366.421 3.866 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000558229497 927439455 /nfs/dbraw/zinc/43/94/55/927439455.db2.gz CVFURRWJDKLJEE-HIFRSBDPSA-N 0 3 360.414 3.747 20 5 FHBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000246864315 927708007 /nfs/dbraw/zinc/70/80/07/927708007.db2.gz DLAYTOQKYZOFMA-ZFWWWQNUSA-N 0 3 359.451 3.508 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000471136922 927725591 /nfs/dbraw/zinc/72/55/91/927725591.db2.gz OIHIRSVULZFOMU-OXJNMPFZSA-N 0 3 369.465 3.941 20 5 FHBDHN CN(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000162600821 937191442 /nfs/dbraw/zinc/19/14/42/937191442.db2.gz OZZAIFDRWKDUES-UHFFFAOYSA-N 0 3 373.478 3.624 20 5 FHBDHN CCc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471539401 930246402 /nfs/dbraw/zinc/24/64/02/930246402.db2.gz KWHGODVGZADNJS-LIRRHRJNSA-N 0 3 355.438 3.578 20 5 FHBDHN Cc1c([C@@H](C)NCCNC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000165512609 930533578 /nfs/dbraw/zinc/53/35/78/930533578.db2.gz HBLJFRZTMTVIMG-CYBMUJFWSA-N 0 3 361.829 3.637 20 5 FHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000580417878 930659648 /nfs/dbraw/zinc/65/96/48/930659648.db2.gz LUCJOHYFKVJEIK-UHFFFAOYSA-N 0 3 369.343 3.605 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383287 931812016 /nfs/dbraw/zinc/81/20/16/931812016.db2.gz ZYVBGQMUKDZMQA-YJBOKZPZSA-N 0 3 356.401 3.693 20 5 FHBDHN COc1ccc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000891434677 932295571 /nfs/dbraw/zinc/29/55/71/932295571.db2.gz XFVACIHEHYVBTD-UHFFFAOYSA-N 0 3 367.405 3.545 20 5 FHBDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661810 932836694 /nfs/dbraw/zinc/83/66/94/932836694.db2.gz HOIXBUXLJMBWCL-HOCLYGCPSA-N 0 3 363.458 3.515 20 5 FHBDHN COc1cc(N2CCCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000610715024 933900062 /nfs/dbraw/zinc/90/00/62/933900062.db2.gz PHMXMLVPGFZFTE-UHFFFAOYSA-N 0 3 373.428 3.763 20 5 FHBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000471943238 933986510 /nfs/dbraw/zinc/98/65/10/933986510.db2.gz VHDCOFDOPRFYBM-UHFFFAOYSA-N 0 3 373.428 3.500 20 5 FHBDHN CC[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000535810288 934401396 /nfs/dbraw/zinc/40/13/96/934401396.db2.gz BOOOBWONVHBRJP-UZLBHIALSA-N 0 3 355.438 3.565 20 5 FHBDHN C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827920 934502156 /nfs/dbraw/zinc/50/21/56/934502156.db2.gz DSYAIYMYNWYPGR-HNAYVOBHSA-N 0 3 350.422 3.963 20 5 FHBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176283693 934748435 /nfs/dbraw/zinc/74/84/35/934748435.db2.gz HHRZOQYBQCQXOV-UHFFFAOYSA-N 0 3 373.434 3.607 20 5 FHBDHN CC[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492148 934809228 /nfs/dbraw/zinc/80/92/28/934809228.db2.gz WNYNOZNDTYMQPX-NHCUHLMSSA-N 0 3 369.465 3.537 20 5 FHBDHN CC[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492151 934809271 /nfs/dbraw/zinc/80/92/71/934809271.db2.gz WNYNOZNDTYMQPX-RTWAWAEBSA-N 0 3 369.465 3.537 20 5 FHBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808896 934875667 /nfs/dbraw/zinc/87/56/67/934875667.db2.gz FCGMEGINDMJUPG-QGZVFWFLSA-N 0 3 368.437 3.553 20 5 FHBDHN CC[C@@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051626 935092584 /nfs/dbraw/zinc/09/25/84/935092584.db2.gz RXSXKNDPBUACPO-PKOBYXMFSA-N 0 3 368.437 3.942 20 5 FHBDHN C[C@@H](CNCc1ccccc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000540611643 935505751 /nfs/dbraw/zinc/50/57/51/935505751.db2.gz UNZVPGQAGJJHSP-LBPRGKRZSA-N 0 3 365.227 3.914 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC001167568081 935585279 /nfs/dbraw/zinc/58/52/79/935585279.db2.gz MWVPLQGUWUVXLW-NRFANRHFSA-N 0 3 370.449 3.697 20 5 FHBDHN COC(=O)COc1ccc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000187743450 935630564 /nfs/dbraw/zinc/63/05/64/935630564.db2.gz OBUUBPYMKMNTPL-OAHLLOKOSA-N 0 3 372.421 3.648 20 5 FHBDHN O=[N+]([O-])c1ccccc1CNCCOc1ccc(Br)cc1 ZINC000050015677 935744144 /nfs/dbraw/zinc/74/41/44/935744144.db2.gz WJYAVVLGEDGIRC-UHFFFAOYSA-N 0 3 351.200 3.526 20 5 FHBDHN CCN(CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611701236 935940564 /nfs/dbraw/zinc/94/05/64/935940564.db2.gz OTRCOLIUNVLJLX-QGZVFWFLSA-N 0 3 371.466 3.516 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000075623578 936013725 /nfs/dbraw/zinc/01/37/25/936013725.db2.gz REJJCIHUNUVRKM-HOTGVXAUSA-N 0 3 369.469 3.853 20 5 FHBDHN CCc1ccc([C@@H](N[C@H]2CCN(CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410062 936240417 /nfs/dbraw/zinc/24/04/17/936240417.db2.gz YCVUASLUDRINSX-UWJYYQICSA-N 0 3 369.465 3.914 20 5 FHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432134259 945159184 /nfs/dbraw/zinc/15/91/84/945159184.db2.gz SKOKIHMLDXDPNB-YOEHRIQHSA-N 0 3 360.845 3.772 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(F)cc1 ZINC000583888330 938467529 /nfs/dbraw/zinc/46/75/29/938467529.db2.gz IDYCSYZOSGKQGG-HOTGVXAUSA-N 0 3 364.442 3.928 20 5 FHBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000179012202 938488659 /nfs/dbraw/zinc/48/86/59/938488659.db2.gz IKMWVIFYXWPGPC-IRXDYDNUSA-N 0 3 374.828 3.815 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573012121 938489275 /nfs/dbraw/zinc/48/92/75/938489275.db2.gz ADQYTSSXDLGINU-BETUJISGSA-N 0 3 373.375 3.895 20 5 FHBDHN Cc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000584191555 938637039 /nfs/dbraw/zinc/63/70/39/938637039.db2.gz MICLLDJMCXUWRS-MAUKXSAKSA-N 0 3 368.437 3.688 20 5 FHBDHN C[C@@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101825898 938936525 /nfs/dbraw/zinc/93/65/25/938936525.db2.gz ZFAAGQKMXVJJLY-OXQOHEQNSA-N 0 3 367.449 3.652 20 5 FHBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336993 938995428 /nfs/dbraw/zinc/99/54/28/938995428.db2.gz GPBZOEUJODAIBE-WMZOPIPTSA-N 0 3 367.449 3.511 20 5 FHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(F)cccc21 ZINC000188052127 939017338 /nfs/dbraw/zinc/01/73/38/939017338.db2.gz STNGDOUFGSBJTL-SJCJKPOMSA-N 0 3 373.384 3.564 20 5 FHBDHN NC(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000102419697 939017928 /nfs/dbraw/zinc/01/79/28/939017928.db2.gz XAYNYHGQEMPNBV-UHFFFAOYSA-N 0 3 367.430 3.712 20 5 FHBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000411894089 940151311 /nfs/dbraw/zinc/15/13/11/940151311.db2.gz PVCVVSYMAHVARA-CZUORRHYSA-N 0 3 357.410 3.671 20 5 FHBDHN COc1ccc(OCCN(C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000173712606 940662183 /nfs/dbraw/zinc/66/21/83/940662183.db2.gz SKOQRLUXNQGUNB-GFCCVEGCSA-N 0 3 365.455 3.749 20 5 FHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000613390062 940662245 /nfs/dbraw/zinc/66/22/45/940662245.db2.gz VWCPBGQBYXJBHY-DNVCBOLYSA-N 0 3 358.438 3.636 20 5 FHBDHN CC[C@@H](C)N[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320443 940665190 /nfs/dbraw/zinc/66/51/90/940665190.db2.gz CWTUXEVHWYMWJV-RHSMWYFYSA-N 0 3 373.453 3.711 20 5 FHBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186308088 940979926 /nfs/dbraw/zinc/97/99/26/940979926.db2.gz GIVIPMISCNIFJK-GOSISDBHSA-N 0 3 367.449 3.640 20 5 FHBDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000540962418 940994459 /nfs/dbraw/zinc/99/44/59/940994459.db2.gz VJPZCPREILYAPD-AEFFLSMTSA-N 0 3 369.465 3.956 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCS[C@H]4COCC[C@@H]43)o2)c1 ZINC000180456585 941022848 /nfs/dbraw/zinc/02/28/48/941022848.db2.gz JGGFWWAVYYRTRC-WMZOPIPTSA-N 0 3 360.435 3.561 20 5 FHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1(CO)CC1 ZINC000188951020 941133080 /nfs/dbraw/zinc/13/30/80/941133080.db2.gz GYXCUSTXFOIXHI-UHFFFAOYSA-N 0 3 350.802 3.713 20 5 FHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000311311225 941226211 /nfs/dbraw/zinc/22/62/11/941226211.db2.gz YBZCLFRBQONBAP-MRXNPFEDSA-N 0 3 363.458 3.768 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000182660212 941949375 /nfs/dbraw/zinc/94/93/75/941949375.db2.gz NJKDRHGNCMEJSC-NVXWUHKLSA-N 0 3 373.497 3.935 20 5 FHBDHN Cc1cc(C)cc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000513488936 941959702 /nfs/dbraw/zinc/95/97/02/941959702.db2.gz CLJKDZLWLSZORC-FQEVSTJZSA-N 0 3 372.465 3.862 20 5 FHBDHN CCCCNC(=O)c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000236797533 941961554 /nfs/dbraw/zinc/96/15/54/941961554.db2.gz BHWDMLJUFCYHMP-SOFGYWHQSA-N 0 3 367.449 3.928 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000182785419 941967005 /nfs/dbraw/zinc/96/70/05/941967005.db2.gz QYKRCNSOVZTPNQ-JKSUJKDBSA-N 0 3 361.486 3.839 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccccc2OC(F)(F)F)cc1 ZINC000517581445 942025256 /nfs/dbraw/zinc/02/52/56/942025256.db2.gz QGMPANDGZBJRFD-UHFFFAOYSA-N 0 3 356.300 3.662 20 5 FHBDHN Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319726 942351766 /nfs/dbraw/zinc/35/17/66/942351766.db2.gz KECVIKJVBSEGNY-QGZVFWFLSA-N 0 3 354.454 3.816 20 5 FHBDHN COc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000413699791 942523704 /nfs/dbraw/zinc/52/37/04/942523704.db2.gz VEAICWCHNKQGFF-UHFFFAOYSA-N 0 3 369.421 3.842 20 5 FHBDHN COc1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000511542099 942620256 /nfs/dbraw/zinc/62/02/56/942620256.db2.gz NNVFEXMJJOCKOR-KRWDZBQOSA-N 0 3 374.412 3.958 20 5 FHBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000421700059 942771359 /nfs/dbraw/zinc/77/13/59/942771359.db2.gz CXWKRUWYAMXCJS-MRXNPFEDSA-N 0 3 369.421 3.553 20 5 FHBDHN C[C@@H]1[C@H](c2ccccc2)CCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892330 943022494 /nfs/dbraw/zinc/02/24/94/943022494.db2.gz QJXMTNJSLLAQLB-YSGRDPCXSA-N 0 3 365.433 3.578 20 5 FHBDHN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](c1ccccc1)N(C)C ZINC000505607623 943165629 /nfs/dbraw/zinc/16/56/29/943165629.db2.gz MNBRATZENQBPSM-ORAYPTAESA-N 0 3 367.405 3.762 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000760016908 943184334 /nfs/dbraw/zinc/18/43/34/943184334.db2.gz KDIVMSZGJWCPCJ-KRWDZBQOSA-N 0 3 354.406 3.721 20 5 FHBDHN Cc1c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001269933360 943308153 /nfs/dbraw/zinc/30/81/53/943308153.db2.gz VIDLIQDOLRCCOC-LJQANCHMSA-N 0 3 369.465 3.790 20 5 FHBDHN Cc1ccsc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506046611 943788988 /nfs/dbraw/zinc/78/89/88/943788988.db2.gz ZZOFTXHEBWYAEG-UHFFFAOYSA-N 0 3 356.451 3.997 20 5 FHBDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000515333381 943804217 /nfs/dbraw/zinc/80/42/17/943804217.db2.gz NCJNFZHWWPZRDH-UHFFFAOYSA-N 0 3 362.817 3.918 20 5 FHBDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000515333381 943804229 /nfs/dbraw/zinc/80/42/29/943804229.db2.gz NCJNFZHWWPZRDH-UHFFFAOYSA-N 0 3 362.817 3.918 20 5 FHBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390399 944259067 /nfs/dbraw/zinc/25/90/67/944259067.db2.gz OZEMNVZCGWTYTO-ICSRJNTNSA-N 0 3 374.437 3.511 20 5 FHBDHN Cc1cc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473788361 944466965 /nfs/dbraw/zinc/46/69/65/944466965.db2.gz QQGYHWSXYWUJKR-OAHLLOKOSA-N 0 3 356.426 3.545 20 5 FHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OC4CCCC4)c3)CC2)n1 ZINC000425981675 944501775 /nfs/dbraw/zinc/50/17/75/944501775.db2.gz SIBQFAHNWRKBKC-UHFFFAOYSA-N 0 3 370.453 3.950 20 5 FHBDHN CC1(C)CCC[C@](O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000438350959 944514682 /nfs/dbraw/zinc/51/46/82/944514682.db2.gz ZIDFYDNJBWSKSB-QGZVFWFLSA-N 0 3 358.385 3.617 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3Cc4ccccc4O3)o2)cc1 ZINC000518772543 944728916 /nfs/dbraw/zinc/72/89/16/944728916.db2.gz KDTCGNHBJBVHGW-SFHVURJKSA-N 0 3 350.374 3.948 20 5 FHBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000439627518 944834366 /nfs/dbraw/zinc/83/43/66/944834366.db2.gz VDBCSHVEMOAUSE-UHFFFAOYSA-N 0 3 370.453 3.751 20 5 FHBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000506296372 944836406 /nfs/dbraw/zinc/83/64/06/944836406.db2.gz YPUVOJVLWLMADB-AHKGRUIUSA-N 0 3 365.433 3.959 20 5 FHBDHN CC(C)(C)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000507002777 944870254 /nfs/dbraw/zinc/87/02/54/944870254.db2.gz RWNXINKIADSDJF-FQEVSTJZSA-N 0 3 367.449 3.861 20 5 FHBDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543205844 944993400 /nfs/dbraw/zinc/99/34/00/944993400.db2.gz BWPOFYUYXFDODB-DKSSEZFCSA-N 0 3 374.412 3.557 20 5 FHBDHN CCOC(=O)CC(C)(C)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549531888 945765950 /nfs/dbraw/zinc/76/59/50/945765950.db2.gz KKMIIVPRQNBYCP-UHFFFAOYSA-N 0 3 362.348 3.777 20 5 FHBDHN COc1ccccc1[C@@H](CNc1cccc(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000475454561 946077860 /nfs/dbraw/zinc/07/78/60/946077860.db2.gz XZNPUPYXNVZVJW-QGZVFWFLSA-N 0 3 371.437 3.861 20 5 FHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCOc1ccccc1Cl ZINC000520059513 946081152 /nfs/dbraw/zinc/08/11/52/946081152.db2.gz IMTVQMWBPBNMOM-UHFFFAOYSA-N 0 3 350.802 3.638 20 5 FHBDHN CSc1cccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186485369 946395857 /nfs/dbraw/zinc/39/58/57/946395857.db2.gz BLUOLLWYMMSNGP-CQSZACIVSA-N 0 3 373.478 3.567 20 5 FHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001126120533 946397186 /nfs/dbraw/zinc/39/71/86/946397186.db2.gz FUNMFFJKIHHYEW-OAHLLOKOSA-N 0 3 374.824 3.984 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3Cc3ccccc3)n2)c1 ZINC000025938035 946905254 /nfs/dbraw/zinc/90/52/54/946905254.db2.gz CKFGGDKKEMXXHD-KRWDZBQOSA-N 0 3 364.405 3.852 20 5 FHBDHN Cc1cccnc1[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000112657503 946920072 /nfs/dbraw/zinc/92/00/72/946920072.db2.gz KIQZLLYREZLZBV-LJQANCHMSA-N 0 3 370.453 3.922 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000475361808 946953739 /nfs/dbraw/zinc/95/37/39/946953739.db2.gz KMUAUHQSUQNRBX-DZGCQCFKSA-N 0 3 374.462 3.954 20 5 FHBDHN Cc1c(CN2CCC(CO)(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444791132 947230778 /nfs/dbraw/zinc/23/07/78/947230778.db2.gz LXYKOEPBVYEHJF-UHFFFAOYSA-N 0 3 354.450 3.720 20 5 FHBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000523486509 947304290 /nfs/dbraw/zinc/30/42/90/947304290.db2.gz UEKAIPFKXXKFNR-INIZCTEOSA-N 0 3 369.465 3.509 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278863763 947738600 /nfs/dbraw/zinc/73/86/00/947738600.db2.gz LKYQSUJQOUFXSV-UHFFFAOYSA-N 0 3 370.453 3.516 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)Cc3ccccc3)o2)cc1 ZINC000105492970 948044604 /nfs/dbraw/zinc/04/46/04/948044604.db2.gz FPSDSXDRSHJKBB-GOSISDBHSA-N 0 3 352.390 3.548 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)co2)cc1 ZINC000279251371 948660162 /nfs/dbraw/zinc/66/01/62/948660162.db2.gz LGNCEAFXYKNWBY-KSZLIROESA-N 0 3 369.421 3.687 20 5 FHBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000109531856 206058533 /nfs/dbraw/zinc/05/85/33/206058533.db2.gz VQGXMDZNZPMTQM-OAHLLOKOSA-N 0 3 357.385 3.585 20 5 FHBDHN CCCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109869028 206066406 /nfs/dbraw/zinc/06/64/06/206066406.db2.gz QAUGERBXIOWEIT-INIZCTEOSA-N 0 3 355.438 3.877 20 5 FHBDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000452862605 567835185 /nfs/dbraw/zinc/83/51/85/567835185.db2.gz UXXCXSBWMNWPLL-LJQANCHMSA-N 0 3 367.449 3.676 20 5 FHBDHN CCN(Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000481463652 567970323 /nfs/dbraw/zinc/97/03/23/567970323.db2.gz HUVLYFWRNYOFLV-UHFFFAOYSA-N 0 3 367.449 3.818 20 5 FHBDHN Cc1c(CNC(=O)c2oc3ccccc3c2CN(C)C)cccc1[N+](=O)[O-] ZINC000481488412 567988379 /nfs/dbraw/zinc/98/83/79/567988379.db2.gz CSBQTBXBYBDTJD-UHFFFAOYSA-N 0 3 367.405 3.641 20 5 FHBDHN O=[N+]([O-])c1ccc2oc(CNCCCCOCc3ccccc3)nc2c1 ZINC000602534437 567992199 /nfs/dbraw/zinc/99/21/99/567992199.db2.gz UCPCAOLCKDSOKS-UHFFFAOYSA-N 0 3 355.394 3.823 20 5 FHBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873085 568049547 /nfs/dbraw/zinc/04/95/47/568049547.db2.gz HVEWWEXITLBLRI-YWZLYKJASA-N 0 3 355.438 3.579 20 5 FHBDHN C[C@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237199 568086097 /nfs/dbraw/zinc/08/60/97/568086097.db2.gz QJEXMIAUEYFEKI-GJZGRUSLSA-N 0 3 368.437 3.926 20 5 FHBDHN COc1cc(CNCCC2(F)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000568683923 568122498 /nfs/dbraw/zinc/12/24/98/568122498.db2.gz DXXIATLWSHEKGR-UHFFFAOYSA-N 0 3 362.348 3.619 20 5 FHBDHN CCOc1ccc(NC(=O)CN(C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000603875059 568174759 /nfs/dbraw/zinc/17/47/59/568174759.db2.gz XKKNKTPLVOWKEL-UHFFFAOYSA-N 0 3 361.442 3.729 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000541935026 568261202 /nfs/dbraw/zinc/26/12/02/568261202.db2.gz HGGMBFWIZLBJLJ-SFHVURJKSA-N 0 3 354.454 3.565 20 5 FHBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000569024351 568275068 /nfs/dbraw/zinc/27/50/68/568275068.db2.gz HDEUOAJIBGDQQK-UHFFFAOYSA-N 0 3 373.375 3.560 20 5 FHBDHN COc1ccc(-c2ccc(CNCC3([C@@H](O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000569348171 568395767 /nfs/dbraw/zinc/39/57/67/568395767.db2.gz JPNLREHOKYMAIO-IBGZPJMESA-N 0 3 374.437 3.750 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000569635370 568411569 /nfs/dbraw/zinc/41/15/69/568411569.db2.gz ZXTKKOIPHFGFSW-RBUKOAKNSA-N 0 3 366.465 3.565 20 5 FHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248027 568466226 /nfs/dbraw/zinc/46/62/26/568466226.db2.gz HOEHNFIBCAIBQF-QXSWTLKVSA-N 0 3 367.453 3.873 20 5 FHBDHN CCC[C@H](NCc1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178742814 936355456 /nfs/dbraw/zinc/35/54/56/936355456.db2.gz HJMLBUYONGTCGK-IBGZPJMESA-N 0 3 351.410 3.807 20 5 FHBDHN CC1(C)[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCO[C@@H]21 ZINC000153934893 927562474 /nfs/dbraw/zinc/56/24/74/927562474.db2.gz YGSSLFSMOZCVIE-JYJNAYRXSA-N 0 3 359.451 3.621 20 5 FHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2CCc2ccccc2)c1 ZINC001167070767 928211423 /nfs/dbraw/zinc/21/14/23/928211423.db2.gz IUUGCTSLWDKDOG-IBGZPJMESA-N 0 3 368.433 3.979 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000187209657 929539054 /nfs/dbraw/zinc/53/90/54/929539054.db2.gz FTIDXCCIFSLRCO-SCLBCKFNSA-N 0 3 373.478 3.738 20 5 FHBDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000560910199 930240795 /nfs/dbraw/zinc/24/07/95/930240795.db2.gz QYFQUROLDPYIPP-WILYLXEWSA-N 0 3 361.392 3.969 20 5 FHBDHN Cc1c([C@@H](C)NCc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000119259959 930974958 /nfs/dbraw/zinc/97/49/58/930974958.db2.gz KYPGVMDDMCCWGU-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000119262286 930992353 /nfs/dbraw/zinc/99/23/53/930992353.db2.gz UTBQZPBFHCKQJL-ZDUSSCGKSA-N 0 3 373.409 3.751 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccsc1 ZINC000471613392 931058420 /nfs/dbraw/zinc/05/84/20/931058420.db2.gz XMMNMWUHHJRDNS-KBPBESRZSA-N 0 3 352.481 3.850 20 5 FHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC001125500332 932034542 /nfs/dbraw/zinc/03/45/42/932034542.db2.gz WOSQDDIFQKODDV-UHFFFAOYSA-N 0 3 359.451 3.525 20 5 FHBDHN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1-n1cncn1 ZINC000175985985 933013604 /nfs/dbraw/zinc/01/36/04/933013604.db2.gz PXPDRDWQPUSLHH-UHFFFAOYSA-N 0 3 351.410 3.509 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000178323510 933208673 /nfs/dbraw/zinc/20/86/73/933208673.db2.gz VBYBRELZOHHGIZ-HUUCEWRRSA-N 0 3 351.410 3.896 20 5 FHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000535733804 934328554 /nfs/dbraw/zinc/32/85/54/934328554.db2.gz UULKBTCWAOEILA-UHFFFAOYSA-N 0 3 353.378 3.963 20 5 FHBDHN Cc1c([C@@H](C)NCc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000178503829 934967486 /nfs/dbraw/zinc/96/74/86/934967486.db2.gz LVCPTBJDKGVKRY-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000072049015 935250389 /nfs/dbraw/zinc/25/03/89/935250389.db2.gz CQRIKJHMMFDFBG-FQEVSTJZSA-N 0 3 367.449 3.779 20 5 FHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000052908359 935959338 /nfs/dbraw/zinc/95/93/38/935959338.db2.gz QNJKIQQKCDVJCX-UHFFFAOYSA-N 0 3 370.247 3.560 20 5 FHBDHN COc1cc(CN[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520762 935978981 /nfs/dbraw/zinc/97/89/81/935978981.db2.gz UEZQTRYLBNEMPB-SNVBAGLBSA-N 0 3 366.311 3.525 20 5 FHBDHN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000472262299 936140946 /nfs/dbraw/zinc/14/09/46/936140946.db2.gz URDGWTCBDNHDDW-DNVCBOLYSA-N 0 3 367.449 3.709 20 5 FHBDHN C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178684159 936204834 /nfs/dbraw/zinc/20/48/34/936204834.db2.gz CBAUGNAISSROPA-RYUDHWBXSA-N 0 3 362.817 3.711 20 5 FHBDHN C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178684194 936205123 /nfs/dbraw/zinc/20/51/23/936205123.db2.gz CBAUGNAISSROPA-VXGBXAGGSA-N 0 3 362.817 3.711 20 5 FHBDHN COC[C@H](C)N(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000179373208 939126703 /nfs/dbraw/zinc/12/67/03/939126703.db2.gz LNQFQKIPFYVNBL-HNNXBMFYSA-N 0 3 374.437 3.649 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179509813 939222315 /nfs/dbraw/zinc/22/23/15/939222315.db2.gz FBMKZGRWUFKJMF-LBPRGKRZSA-N 0 3 361.833 3.623 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179509813 939222318 /nfs/dbraw/zinc/22/23/18/939222318.db2.gz FBMKZGRWUFKJMF-LBPRGKRZSA-N 0 3 361.833 3.623 20 5 FHBDHN CN(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000518272688 945278460 /nfs/dbraw/zinc/27/84/60/945278460.db2.gz FBXPRBGBRPYJAM-UHFFFAOYSA-N 0 3 365.380 3.812 20 5 FHBDHN Cc1noc([C@@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000179714288 939925595 /nfs/dbraw/zinc/92/55/95/939925595.db2.gz OAEQCLGVDWYSSI-OAHLLOKOSA-N 0 3 368.393 3.926 20 5 FHBDHN Cc1nn(C)c(C)c1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180045483 940320776 /nfs/dbraw/zinc/32/07/76/940320776.db2.gz YSPNRVDOYSWKLY-OAQYLSRUSA-N 0 3 364.449 3.867 20 5 FHBDHN Cc1c(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000412004894 940339433 /nfs/dbraw/zinc/33/94/33/940339433.db2.gz DNQFLVGPERJKSP-FQEVSTJZSA-N 0 3 370.449 3.523 20 5 FHBDHN COc1ccc(-c2ccc(CNCCOCC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000613175390 940476399 /nfs/dbraw/zinc/47/63/99/940476399.db2.gz UCDLPZWBYZJCPL-UHFFFAOYSA-N 0 3 360.410 3.770 20 5 FHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798235 940487579 /nfs/dbraw/zinc/48/75/79/940487579.db2.gz YSKDRWWMIIMHJG-FOIQADDNSA-N 0 3 358.413 3.722 20 5 FHBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452033440 940874920 /nfs/dbraw/zinc/87/49/20/940874920.db2.gz GEHRXULYEMWPFB-IUIKQTSFSA-N 0 3 369.849 3.513 20 5 FHBDHN C[C@]12CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452048429 940953009 /nfs/dbraw/zinc/95/30/09/940953009.db2.gz PZMMPRKBFTVMGK-PGSNGQOISA-N 0 3 354.410 3.513 20 5 FHBDHN CN(C)C(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180334855 940977595 /nfs/dbraw/zinc/97/75/95/940977595.db2.gz PHORGXIFORSFGF-UHFFFAOYSA-N 0 3 371.437 3.545 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471422 941019292 /nfs/dbraw/zinc/01/92/92/941019292.db2.gz XLBRUAXEBFACSV-VXKWHMMOSA-N 0 3 362.429 3.877 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000180454529 941022824 /nfs/dbraw/zinc/02/28/24/941022824.db2.gz ZASZDWAABGYXCU-FUHWJXTLSA-N 0 3 360.435 3.561 20 5 FHBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511507693 941033682 /nfs/dbraw/zinc/03/36/82/941033682.db2.gz QXOIJGQPDCJCQZ-OWUNDVQQSA-N 0 3 359.470 3.625 20 5 FHBDHN CCN1CCN(c2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000472617210 941122314 /nfs/dbraw/zinc/12/23/14/941122314.db2.gz HSPYICNKBHZLSL-SOFGYWHQSA-N 0 3 366.465 3.862 20 5 FHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311495635 941314855 /nfs/dbraw/zinc/31/48/55/941314855.db2.gz VQJTXPATTIQGEI-MRXNPFEDSA-N 0 3 373.840 3.595 20 5 FHBDHN C[C@@H]1[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311929194 941659252 /nfs/dbraw/zinc/65/92/52/941659252.db2.gz FYFDVNYPJJGVNA-CXAGYDPISA-N 0 3 373.840 3.641 20 5 FHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182334986 941736108 /nfs/dbraw/zinc/73/61/08/941736108.db2.gz PHBBNJVBYXOZDL-KBPBESRZSA-N 0 3 357.410 3.590 20 5 FHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000102693180 942083685 /nfs/dbraw/zinc/08/36/85/942083685.db2.gz XDAWSTRJZGXSMH-FQEVSTJZSA-N 0 3 371.437 3.837 20 5 FHBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416017754 942266472 /nfs/dbraw/zinc/26/64/72/942266472.db2.gz VTEUODXFCVDUQI-MRXNPFEDSA-N 0 3 366.421 3.610 20 5 FHBDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1ccccc1[N+](=O)[O-] ZINC000502216918 942295705 /nfs/dbraw/zinc/29/57/05/942295705.db2.gz OMNUDEWAYCIRIJ-UHFFFAOYSA-N 0 3 369.343 3.956 20 5 FHBDHN COc1ccc(OCCN[C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420999512 942296858 /nfs/dbraw/zinc/29/68/58/942296858.db2.gz VGYZNWSJODKBSZ-HNNXBMFYSA-N 0 3 366.364 3.968 20 5 FHBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000413157589 942353242 /nfs/dbraw/zinc/35/32/42/942353242.db2.gz IAIATGJJXBPDMH-XHDPSFHLSA-N 0 3 350.419 3.685 20 5 FHBDHN Cc1nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000366531042 942539231 /nfs/dbraw/zinc/53/92/31/942539231.db2.gz HOAYIMFHLZCLGC-UHFFFAOYSA-N 0 3 358.364 3.515 20 5 FHBDHN COc1ccc(NC(=O)CN2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000514234847 942845854 /nfs/dbraw/zinc/84/58/54/942845854.db2.gz SZSPHYXJBYYSOJ-KRWDZBQOSA-N 0 3 361.442 3.587 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000435061540 943136571 /nfs/dbraw/zinc/13/65/71/943136571.db2.gz QDOOUZOXKVPQOP-UHFFFAOYSA-N 0 3 354.454 3.816 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503405638 943165763 /nfs/dbraw/zinc/16/57/63/943165763.db2.gz KCICCFXNCYESOC-INIZCTEOSA-N 0 3 370.453 3.516 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(OCCO)cc1)CCCC2 ZINC000417304179 943496407 /nfs/dbraw/zinc/49/64/07/943496407.db2.gz BRHGRQLTTZOMMY-HXUWFJFHSA-N 0 3 356.422 3.523 20 5 FHBDHN COc1cc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000435737022 943588724 /nfs/dbraw/zinc/58/87/24/943588724.db2.gz CWGYPQXCSCINQF-FUKZOUPISA-N 0 3 364.348 3.623 20 5 FHBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000500069612 944053130 /nfs/dbraw/zinc/05/31/30/944053130.db2.gz ISDZTBXJDGBVPP-WMLDXEAASA-N 0 3 357.410 3.990 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846466 944444532 /nfs/dbraw/zinc/44/45/32/944444532.db2.gz VHOIUGLSQDCHDC-DOTOQJQBSA-N 0 3 359.470 3.735 20 5 FHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000518832900 944824817 /nfs/dbraw/zinc/82/48/17/944824817.db2.gz ZIBRVYSNWYTGJR-UHFFFAOYSA-N 0 3 363.801 3.571 20 5 FHBDHN CC(C)(C)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000507002778 944870048 /nfs/dbraw/zinc/87/00/48/944870048.db2.gz RWNXINKIADSDJF-HXUWFJFHSA-N 0 3 367.449 3.861 20 5 FHBDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000543206897 944991763 /nfs/dbraw/zinc/99/17/63/944991763.db2.gz DXHIAHFLPXYDTR-ZVZYQTTQSA-N 0 3 374.437 3.709 20 5 FHBDHN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCOC1 ZINC000426505412 945008875 /nfs/dbraw/zinc/00/88/75/945008875.db2.gz WOXLMLONXCWVTG-MRXNPFEDSA-N 0 3 362.451 3.561 20 5 FHBDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000516583917 945037723 /nfs/dbraw/zinc/03/77/23/945037723.db2.gz LVRJOPOARJVIGH-UKBAYJJMSA-N 0 3 370.453 3.566 20 5 FHBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccsc1 ZINC000187777085 945593510 /nfs/dbraw/zinc/59/35/10/945593510.db2.gz WIASZODANVEKFJ-CYBMUJFWSA-N 0 3 362.451 3.976 20 5 FHBDHN CN1CC[C@H](NCc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000125447597 946063802 /nfs/dbraw/zinc/06/38/02/946063802.db2.gz YSYXZFNPYPKAHP-HOCLYGCPSA-N 0 3 351.859 3.845 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475561024 946666030 /nfs/dbraw/zinc/66/60/30/946666030.db2.gz XEQYYGKUTBRLCG-CJNGLKHVSA-N 0 3 360.385 3.874 20 5 FHBDHN COc1cccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000237311065 946721108 /nfs/dbraw/zinc/72/11/08/946721108.db2.gz WIUFGYXZPVHADF-GOSISDBHSA-N 0 3 363.845 3.649 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475339699 946908965 /nfs/dbraw/zinc/90/89/65/946908965.db2.gz RIXFBGUNPZBSIF-CJNGLKHVSA-N 0 3 360.385 3.874 20 5 FHBDHN CC[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123894214 946917102 /nfs/dbraw/zinc/91/71/02/946917102.db2.gz SJTQLMGVOAXEGO-HKUYNNGSSA-N 0 3 359.470 3.817 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000475361238 946952602 /nfs/dbraw/zinc/95/26/02/946952602.db2.gz FSHXZAHSXCTMIA-GUYCJALGSA-N 0 3 374.462 3.954 20 5 FHBDHN O=C(NC1CC1)[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151825127 947302440 /nfs/dbraw/zinc/30/24/40/947302440.db2.gz GHFDKORBDLNYOX-FQEVSTJZSA-N 0 3 367.449 3.527 20 5 FHBDHN Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(CN(C)C)c1 ZINC000072839732 947569973 /nfs/dbraw/zinc/56/99/73/947569973.db2.gz KYPDFHGGSJUQGE-UHFFFAOYSA-N 0 3 352.394 3.698 20 5 FHBDHN CN(C)C1(CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1 ZINC000279129168 948535283 /nfs/dbraw/zinc/53/52/83/948535283.db2.gz WWFOAKRCOSWABY-UHFFFAOYSA-N 0 3 363.461 3.650 20 5 FHBDHN C[C@@H]1C[C@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602609727 567997395 /nfs/dbraw/zinc/99/73/95/567997395.db2.gz QZYKKWAQWZHNOH-NXEZZACHSA-N 0 3 363.277 3.714 20 5 FHBDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000481495987 567999612 /nfs/dbraw/zinc/99/96/12/567999612.db2.gz NSCRNDZQHUZVCY-SCLBCKFNSA-N 0 3 364.829 3.993 20 5 FHBDHN CCC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582671 568059587 /nfs/dbraw/zinc/05/95/87/568059587.db2.gz OUBXAUBAHOMQOU-MJGOQNOKSA-N 0 3 362.401 3.605 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000568831069 568231123 /nfs/dbraw/zinc/23/11/23/568231123.db2.gz IKUKJNTWWVDXCV-UHFFFAOYSA-N 0 3 354.454 3.550 20 5 FHBDHN CC(C)Oc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000569735414 568414930 /nfs/dbraw/zinc/41/49/30/568414930.db2.gz XPNHLRDSDVTUDO-HXUWFJFHSA-N 0 3 357.454 3.775 20 5 FHBDHN CC1=C(c2ccco2)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569869993 568432119 /nfs/dbraw/zinc/43/21/19/568432119.db2.gz LOHUJJYXJRNMNC-UHFFFAOYSA-N 0 3 355.394 3.696 20 5 FHBDHN COc1ccc(CCNCc2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000569990630 568446791 /nfs/dbraw/zinc/44/67/91/568446791.db2.gz BMMOANRCISXXEF-UHFFFAOYSA-N 0 3 350.802 3.598 20 5 FHBDHN CSc1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187093020 927908028 /nfs/dbraw/zinc/90/80/28/927908028.db2.gz WYCNLIXTKHUXDU-DYVFJYSZSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1c(C(=O)OCC2CCN(Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000120602007 929067452 /nfs/dbraw/zinc/06/74/52/929067452.db2.gz WWRUDUFBEHRMBZ-UHFFFAOYSA-N 0 3 358.394 3.565 20 5 FHBDHN CSc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471556915 930493912 /nfs/dbraw/zinc/49/39/12/930493912.db2.gz SDUFLZYCOSSFED-SCLBCKFNSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1ccc([C@H](C)NC(=O)c2cccc(CN3CCCC3)c2)cc1[N+](=O)[O-] ZINC000177839429 931268403 /nfs/dbraw/zinc/26/84/03/931268403.db2.gz ARNXKXSUTWNGDC-INIZCTEOSA-N 0 3 367.449 3.990 20 5 FHBDHN COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)c1 ZINC000074726131 933075994 /nfs/dbraw/zinc/07/59/94/933075994.db2.gz FUDPOMMMXCNVTI-SFHVURJKSA-N 0 3 356.426 3.556 20 5 FHBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156513135 933088068 /nfs/dbraw/zinc/08/80/68/933088068.db2.gz IQTLGZPSZPEVBU-HNNXBMFYSA-N 0 3 355.438 3.880 20 5 FHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535706465 934303269 /nfs/dbraw/zinc/30/32/69/934303269.db2.gz VSHNIKXOSOHLGB-UHFFFAOYSA-N 0 3 352.394 3.698 20 5 FHBDHN CCC[C@H](NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453338 934586776 /nfs/dbraw/zinc/58/67/76/934586776.db2.gz MYAZCAJKBSURFK-SFHVURJKSA-N 0 3 359.401 3.595 20 5 FHBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444740 934808812 /nfs/dbraw/zinc/80/88/12/934808812.db2.gz HAZAGWBYGQFUIG-WMLDXEAASA-N 0 3 371.437 3.980 20 5 FHBDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000119454879 934815449 /nfs/dbraw/zinc/81/54/49/934815449.db2.gz OKDITBLLZCSIKI-CQSZACIVSA-N 0 3 371.466 3.916 20 5 FHBDHN CC[C@H](c1ccccc1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167509548 935028106 /nfs/dbraw/zinc/02/81/06/935028106.db2.gz PAUVFLYHHSXOHY-OAQYLSRUSA-N 0 3 369.465 3.743 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000119724854 935134844 /nfs/dbraw/zinc/13/48/44/935134844.db2.gz ZSAKQHXAAFQCNK-LJQANCHMSA-N 0 3 371.412 3.609 20 5 FHBDHN COc1ccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000072027277 935225708 /nfs/dbraw/zinc/22/57/08/935225708.db2.gz QKOTUKLFLTTXKM-SFHVURJKSA-N 0 3 359.401 3.992 20 5 FHBDHN C/C=C/C[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161431 935247456 /nfs/dbraw/zinc/24/74/56/935247456.db2.gz VWZIZCGIEABNCV-KZSQQDEKSA-N 0 3 360.385 3.943 20 5 FHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201301 935396280 /nfs/dbraw/zinc/39/62/80/935396280.db2.gz NNQUBAWLGJRXMD-IAQYHMDHSA-N 0 3 365.817 3.700 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320445 935517282 /nfs/dbraw/zinc/51/72/82/935517282.db2.gz CWTUXEVHWYMWJV-YOEHRIQHSA-N 0 3 373.453 3.711 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000194495713 936078389 /nfs/dbraw/zinc/07/83/89/936078389.db2.gz QLLDPPKEKZZREK-GOSISDBHSA-N 0 3 367.449 3.688 20 5 FHBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167640474 936308329 /nfs/dbraw/zinc/30/83/29/936308329.db2.gz BOQWZXSGTYJOEZ-IBGZPJMESA-N 0 3 357.429 3.830 20 5 FHBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397634 938385910 /nfs/dbraw/zinc/38/59/10/938385910.db2.gz FKZLFHYFVNJVLB-DJJJIMSYSA-N 0 3 365.433 3.842 20 5 FHBDHN O=C(CCN[C@H]1CCCOc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548825411 938712435 /nfs/dbraw/zinc/71/24/35/938712435.db2.gz ALRCEKHSUSAJEZ-HNNXBMFYSA-N 0 3 373.384 3.566 20 5 FHBDHN COCc1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179224699 938994309 /nfs/dbraw/zinc/99/43/09/938994309.db2.gz CMRNTLYRKJAAIC-UHFFFAOYSA-N 0 3 356.422 3.785 20 5 FHBDHN COC[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102418947 939017813 /nfs/dbraw/zinc/01/78/13/939017813.db2.gz OMVDMTBUUYEZMN-SNVBAGLBSA-N 0 3 369.215 3.742 20 5 FHBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC000614236026 939902219 /nfs/dbraw/zinc/90/22/19/939902219.db2.gz WTSSTROLHSFMPJ-QGZVFWFLSA-N 0 3 350.422 3.857 20 5 FHBDHN Cc1noc([C@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000179714302 939926313 /nfs/dbraw/zinc/92/63/13/939926313.db2.gz OAEQCLGVDWYSSI-HNNXBMFYSA-N 0 3 368.393 3.926 20 5 FHBDHN CCC(CC)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179786600 939934853 /nfs/dbraw/zinc/93/48/53/939934853.db2.gz HMRKMCYTDZDBLL-LJQANCHMSA-N 0 3 355.438 3.961 20 5 FHBDHN CCOc1ccc(NC(=O)CCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411452464 940049184 /nfs/dbraw/zinc/04/91/84/940049184.db2.gz IOVGDPWFDLRGOY-CQSZACIVSA-N 0 3 357.410 3.673 20 5 FHBDHN CCOc1ccccc1NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411775849 940116326 /nfs/dbraw/zinc/11/63/26/940116326.db2.gz YWFWTIIMHLNZFN-AWEZNQCLSA-N 0 3 357.410 3.673 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798238 940487600 /nfs/dbraw/zinc/48/76/00/940487600.db2.gz YSKDRWWMIIMHJG-YWZLYKJASA-N 0 3 358.413 3.722 20 5 FHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnccc1C(C)(C)C ZINC000414233146 940809521 /nfs/dbraw/zinc/80/95/21/940809521.db2.gz RBIBKIPFFAWSNZ-AWEZNQCLSA-N 0 3 370.453 3.794 20 5 FHBDHN CC(C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393336 941003333 /nfs/dbraw/zinc/00/33/33/941003333.db2.gz QNVDRWPZZYSFBA-MAUKXSAKSA-N 0 3 358.438 3.809 20 5 FHBDHN C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180452779 941018318 /nfs/dbraw/zinc/01/83/18/941018318.db2.gz MZUUEJIZMSXRLF-PAXLWEDBSA-N 0 3 370.449 3.701 20 5 FHBDHN O=C(NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000180930578 941093562 /nfs/dbraw/zinc/09/35/62/941093562.db2.gz XSEBZYHOOQHNMC-HXUWFJFHSA-N 0 3 367.449 3.580 20 5 FHBDHN CC(C)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000189797120 941282484 /nfs/dbraw/zinc/28/24/84/941282484.db2.gz YGRRRVICTADFKM-UHFFFAOYSA-N 0 3 361.486 3.911 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CNCCC3(F)F)o2)c(Cl)c1 ZINC000414997298 941534258 /nfs/dbraw/zinc/53/42/58/941534258.db2.gz HLPVRNLRUHUBGD-HNNXBMFYSA-N 0 3 371.771 3.595 20 5 FHBDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412216758 941925565 /nfs/dbraw/zinc/92/55/65/941925565.db2.gz KHKYRPPZYSNTAS-RBUKOAKNSA-N 0 3 353.422 3.707 20 5 FHBDHN Cc1c(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000101917040 942019989 /nfs/dbraw/zinc/01/99/89/942019989.db2.gz CXEDKRAWVSRPSS-UHFFFAOYSA-N 0 3 371.412 3.893 20 5 FHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@H]1C ZINC000549365743 942060372 /nfs/dbraw/zinc/06/03/72/942060372.db2.gz CCVFDRAJUWRFKD-VXGBXAGGSA-N 0 3 373.375 3.606 20 5 FHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501837479 942085500 /nfs/dbraw/zinc/08/55/00/942085500.db2.gz QKUUCAHPRGCJNR-GOSISDBHSA-N 0 3 354.410 3.553 20 5 FHBDHN CC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000179721627 942275656 /nfs/dbraw/zinc/27/56/56/942275656.db2.gz HFAFWYILEYNYSD-UHFFFAOYSA-N 0 3 350.802 3.855 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1C ZINC001269735155 942445103 /nfs/dbraw/zinc/44/51/03/942445103.db2.gz VEQPAWBJGYQXCX-HNAYVOBHSA-N 0 3 355.438 3.633 20 5 FHBDHN CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000413330522 942667794 /nfs/dbraw/zinc/66/77/94/942667794.db2.gz OYXAJPZIUVLUEE-OAHLLOKOSA-N 0 3 350.419 3.566 20 5 FHBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000505559554 943029586 /nfs/dbraw/zinc/02/95/86/943029586.db2.gz LGFLHXOIDRKPHO-GOSISDBHSA-N 0 3 356.422 3.655 20 5 FHBDHN C[C@H](c1ccncc1)N1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000425246174 943050447 /nfs/dbraw/zinc/05/04/47/943050447.db2.gz XWHAJVFLXCXBQY-CQSZACIVSA-N 0 3 367.453 3.595 20 5 FHBDHN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](c1ccccc1)N(C)C ZINC000505607619 943165974 /nfs/dbraw/zinc/16/59/74/943165974.db2.gz MNBRATZENQBPSM-BFUOFWGJSA-N 0 3 367.405 3.762 20 5 FHBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000120269041 943345423 /nfs/dbraw/zinc/34/54/23/943345423.db2.gz HLDLQGVNKNJBAN-KRWDZBQOSA-N 0 3 361.829 3.952 20 5 FHBDHN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000504737036 943763031 /nfs/dbraw/zinc/76/30/31/943763031.db2.gz HXJPOVWDXCDUJQ-UHFFFAOYSA-N 0 3 368.437 3.553 20 5 FHBDHN CN(C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436309383 944205573 /nfs/dbraw/zinc/20/55/73/944205573.db2.gz OWFFDSHWUWAHBQ-CYBMUJFWSA-N 0 3 372.322 3.863 20 5 FHBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390404 944259559 /nfs/dbraw/zinc/25/95/59/944259559.db2.gz OZEMNVZCGWTYTO-UYAOXDASSA-N 0 3 374.437 3.511 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)Cc3ccc(F)cc3)o2)cc1 ZINC000500241403 944325996 /nfs/dbraw/zinc/32/59/96/944325996.db2.gz HLXJOHILTFKWHY-QGZVFWFLSA-N 0 3 370.380 3.687 20 5 FHBDHN CCC[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124769 944433994 /nfs/dbraw/zinc/43/39/94/944433994.db2.gz XSULGLWZCZMWGG-VQTJNVASSA-N 0 3 369.465 3.725 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846839 944444706 /nfs/dbraw/zinc/44/47/06/944444706.db2.gz VHOIUGLSQDCHDC-RDJZCZTQSA-N 0 3 359.470 3.735 20 5 FHBDHN Cc1c(CNC[C@@H](O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000516049941 944453092 /nfs/dbraw/zinc/45/30/92/944453092.db2.gz FIXPDVWXSQPYDM-QGZVFWFLSA-N 0 3 358.438 3.556 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000473782606 944456110 /nfs/dbraw/zinc/45/61/10/944456110.db2.gz CKBMCFMLGWLGJV-UHFFFAOYSA-N 0 3 370.453 3.807 20 5 FHBDHN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000102176362 944675133 /nfs/dbraw/zinc/67/51/33/944675133.db2.gz AZQYSVFZKAVMPD-UHFFFAOYSA-N 0 3 370.449 3.909 20 5 FHBDHN C[C@H](O)[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706888 945479752 /nfs/dbraw/zinc/47/97/52/945479752.db2.gz ZXTWIPIRONIZAH-DOTOQJQBSA-N 0 3 355.438 3.565 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107071802 945479990 /nfs/dbraw/zinc/47/99/90/945479990.db2.gz OYAGAJWLVGMTJW-GJZGRUSLSA-N 0 3 371.437 3.898 20 5 FHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186008199 946089622 /nfs/dbraw/zinc/08/96/22/946089622.db2.gz VKABVTMCTZXRSF-UHFFFAOYSA-N 0 3 373.478 3.521 20 5 FHBDHN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186478813 946371112 /nfs/dbraw/zinc/37/11/12/946371112.db2.gz GLSLUZQNCUZFNL-SJCJKPOMSA-N 0 3 361.829 3.669 20 5 FHBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000048053195 946484974 /nfs/dbraw/zinc/48/49/74/946484974.db2.gz NYXBEKRUYPTBJB-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186586538 946614971 /nfs/dbraw/zinc/61/49/71/946614971.db2.gz IXJNGKZZPYPWCQ-UHFFFAOYSA-N 0 3 358.413 3.612 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N(C)C)cc1 ZINC000475555155 946639626 /nfs/dbraw/zinc/63/96/26/946639626.db2.gz LCDKNOIGHGCDLF-IBGZPJMESA-N 0 3 370.453 3.944 20 5 FHBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475314304 946873862 /nfs/dbraw/zinc/87/38/62/946873862.db2.gz SSANQFAQMWUNFJ-QGZVFWFLSA-N 0 3 373.840 3.595 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncccc3O)o2)c(Cl)c1 ZINC000475354568 946932480 /nfs/dbraw/zinc/93/24/80/946932480.db2.gz HRAAYNILMTYODV-UHFFFAOYSA-N 0 3 359.769 3.899 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000475361809 946954207 /nfs/dbraw/zinc/95/42/07/946954207.db2.gz KMUAUHQSUQNRBX-HIFRSBDPSA-N 0 3 374.462 3.954 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074446258 947067658 /nfs/dbraw/zinc/06/76/58/947067658.db2.gz DZCINNLKZWNAHI-IBGZPJMESA-N 0 3 367.449 3.640 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCOc2ccc(Br)cc2)cc1 ZINC000049596030 947088399 /nfs/dbraw/zinc/08/83/99/947088399.db2.gz SUKYDQMKZTVZLV-UHFFFAOYSA-N 0 3 351.200 3.526 20 5 FHBDHN O=[N+]([O-])c1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)c(F)c1 ZINC000278865642 947855022 /nfs/dbraw/zinc/85/50/22/947855022.db2.gz LQQOSQZOKXPKDG-UHFFFAOYSA-N 0 3 358.417 3.646 20 5 FHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000549610121 947992842 /nfs/dbraw/zinc/99/28/42/947992842.db2.gz HFUJRCPWBRMLRV-LBPRGKRZSA-N 0 3 352.312 3.576 20 5 FHBDHN CCOC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC000549613500 948019591 /nfs/dbraw/zinc/01/95/91/948019591.db2.gz KIHHZRNKOAJMLI-UHFFFAOYSA-N 0 3 374.359 3.969 20 5 FHBDHN O=[N+]([O-])c1cccc2c(NC[C@@H](c3ccco3)N3CCCC3)ccnc21 ZINC000432320912 948029796 /nfs/dbraw/zinc/02/97/96/948029796.db2.gz CHSPSDIVHVEOCT-KRWDZBQOSA-N 0 3 352.394 3.985 20 5 FHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN(C)C ZINC000184652797 948066385 /nfs/dbraw/zinc/06/63/85/948066385.db2.gz PBQFPDRVDUQNCV-QGZVFWFLSA-N 0 3 369.465 3.542 20 5 FHBDHN O=[N+]([O-])c1ccc(CNC2CCN(CCC(F)(F)F)CC2)c(Cl)c1 ZINC000184667579 948120412 /nfs/dbraw/zinc/12/04/12/948120412.db2.gz GSZVXFWLZXZYJG-UHFFFAOYSA-N 0 3 365.783 3.755 20 5 FHBDHN CN(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000432337910 948156352 /nfs/dbraw/zinc/15/63/52/948156352.db2.gz COJGDMFTJYWNCC-GOSISDBHSA-N 0 3 354.385 3.997 20 5 FHBDHN COc1ccc(-c2ccc(CNCCc3c(C)noc3C)o2)c([N+](=O)[O-])c1 ZINC000107321118 948466710 /nfs/dbraw/zinc/46/67/10/948466710.db2.gz YPGLVHYAFMOGKY-UHFFFAOYSA-N 0 3 371.393 3.801 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)co2)cc1 ZINC000279251382 948660402 /nfs/dbraw/zinc/66/04/02/948660402.db2.gz LGNCEAFXYKNWBY-RCCFBDPRSA-N 0 3 369.421 3.687 20 5 FHBDHN O=[N+]([O-])c1ccc2nc(N3CCN(CCc4ccccc4)CC3)ccc2c1 ZINC000097261967 132305760 /nfs/dbraw/zinc/30/57/60/132305760.db2.gz PGCVUGAOHTXVOE-UHFFFAOYSA-N 0 3 362.433 3.508 20 5 FHBDHN CC(C)(CO)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000290940541 567864960 /nfs/dbraw/zinc/86/49/60/567864960.db2.gz PWZWUOROZDYQLW-INIZCTEOSA-N 0 3 361.467 3.605 20 5 FHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCOC1CCOCC1 ZINC000290991963 567926134 /nfs/dbraw/zinc/92/61/34/567926134.db2.gz ZYRHILJQWBDLPW-UHFFFAOYSA-N 0 3 363.241 3.577 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000481436972 567935721 /nfs/dbraw/zinc/93/57/21/567935721.db2.gz GAZIHPPJSJHTAX-KBXCAEBGSA-N 0 3 356.426 3.716 20 5 FHBDHN O=[N+]([O-])c1sc(CNCCCc2nccs2)cc1Br ZINC000602592425 567995246 /nfs/dbraw/zinc/99/52/46/567995246.db2.gz FIKLYDGZCFXNBD-UHFFFAOYSA-N 0 3 362.274 3.598 20 5 FHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)Cc1ccccc1 ZINC000568306279 568018178 /nfs/dbraw/zinc/01/81/78/568018178.db2.gz XOKKKODHVOEGFX-QGZVFWFLSA-N 0 3 366.417 3.890 20 5 FHBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000291200092 568075825 /nfs/dbraw/zinc/07/58/25/568075825.db2.gz MYDPPFUDEYNGEV-LSDHHAIUSA-N 0 3 368.437 3.926 20 5 FHBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237210 568084869 /nfs/dbraw/zinc/08/48/69/568084869.db2.gz QJEXMIAUEYFEKI-LSDHHAIUSA-N 0 3 368.437 3.926 20 5 FHBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000481826824 568136269 /nfs/dbraw/zinc/13/62/69/568136269.db2.gz VZFUGTJANYECDN-HNNXBMFYSA-N 0 3 367.449 3.684 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000481833644 568146529 /nfs/dbraw/zinc/14/65/29/568146529.db2.gz DSHLCYUBYVCPBE-TZMCWYRMSA-N 0 3 360.385 3.874 20 5 FHBDHN C[C@H](O)[C@@](C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000570697025 568499911 /nfs/dbraw/zinc/49/99/11/568499911.db2.gz ZKWZVFMMJTXFBP-NYSBEXSLSA-N 0 3 354.450 3.802 20 5 FHBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H]2CCCN2Cc2ccccc21 ZINC000175756633 928320200 /nfs/dbraw/zinc/32/02/00/928320200.db2.gz QQPKLPBKDDSFIU-CQSZACIVSA-N 0 3 371.824 3.873 20 5 FHBDHN Cc1ccccc1C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466898762 928750499 /nfs/dbraw/zinc/75/04/99/928750499.db2.gz BHKPSNZALFLGPG-SFHVURJKSA-N 0 3 366.417 3.856 20 5 FHBDHN Cc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(-c2cnn(C)c2)c1 ZINC000583275832 937307372 /nfs/dbraw/zinc/30/73/72/937307372.db2.gz ZEWPWKYOVBKSMT-UHFFFAOYSA-N 0 3 350.422 3.902 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294686 929355603 /nfs/dbraw/zinc/35/56/03/929355603.db2.gz BLFKUKXVPKGCQL-HOTGVXAUSA-N 0 3 353.422 3.641 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000187209636 929539215 /nfs/dbraw/zinc/53/92/15/929539215.db2.gz FTIDXCCIFSLRCO-ACJLOTCBSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000548010743 929937417 /nfs/dbraw/zinc/93/74/17/929937417.db2.gz ZLMXMRYKPIIJSA-NVXWUHKLSA-N 0 3 354.454 3.987 20 5 FHBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000247260458 930531834 /nfs/dbraw/zinc/53/18/34/930531834.db2.gz FAVJKJHUWOJBBI-ABAIWWIYSA-N 0 3 365.480 3.531 20 5 FHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610451900 931018215 /nfs/dbraw/zinc/01/82/15/931018215.db2.gz MIRKFRUFWVOAGO-MRXNPFEDSA-N 0 3 357.429 3.830 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477084522 931909915 /nfs/dbraw/zinc/90/99/15/931909915.db2.gz MTHLTGDNJHGGNR-UHFFFAOYSA-N 0 3 362.474 3.941 20 5 FHBDHN CN1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247417980 932955471 /nfs/dbraw/zinc/95/54/71/932955471.db2.gz NSYJPQLMDXVSIR-ABAIWWIYSA-N 0 3 365.480 3.531 20 5 FHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000588445842 933146899 /nfs/dbraw/zinc/14/68/99/933146899.db2.gz LWELZGYYMNMRPW-SSZFMOIBSA-N 0 3 359.470 3.577 20 5 FHBDHN CC[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000535810286 934418645 /nfs/dbraw/zinc/41/86/45/934418645.db2.gz BOOOBWONVHBRJP-OXJNMPFZSA-N 0 3 355.438 3.565 20 5 FHBDHN COc1cc(CN2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426525990 945080898 /nfs/dbraw/zinc/08/08/98/945080898.db2.gz SYTSXBMVNQLWHP-AAEUAGOBSA-N 0 3 356.369 3.622 20 5 FHBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000511103242 935574278 /nfs/dbraw/zinc/57/42/78/935574278.db2.gz BTXGPUBOXOVGKN-CQSZACIVSA-N 0 3 368.359 3.690 20 5 FHBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@@H]1C ZINC000478562593 935646032 /nfs/dbraw/zinc/64/60/32/935646032.db2.gz PJNGRHXKPICJBV-QWHCGFSZSA-N 0 3 361.467 3.802 20 5 FHBDHN Cc1ccnc(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000582807984 936149819 /nfs/dbraw/zinc/14/98/19/936149819.db2.gz NEADVSXAIJKERF-KRWDZBQOSA-N 0 3 358.442 3.800 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000245529131 938302843 /nfs/dbraw/zinc/30/28/43/938302843.db2.gz QYKRCNSOVZTPNQ-HOTGVXAUSA-N 0 3 361.486 3.839 20 5 FHBDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000052474152 938322110 /nfs/dbraw/zinc/32/21/10/938322110.db2.gz IIYWHHJKFONLTO-QGZVFWFLSA-N 0 3 356.426 3.638 20 5 FHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000052486054 938339559 /nfs/dbraw/zinc/33/95/59/938339559.db2.gz DLRRLQWFXCVHSW-IBGZPJMESA-N 0 3 354.385 3.997 20 5 FHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN(C)C ZINC000583726939 938379044 /nfs/dbraw/zinc/37/90/44/938379044.db2.gz QBPPMGNXUZVQEP-INIZCTEOSA-N 0 3 355.438 3.864 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000052611788 938435599 /nfs/dbraw/zinc/43/55/99/938435599.db2.gz JHZQKTYZKNZCHQ-HNNXBMFYSA-N 0 3 367.405 3.994 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000052611787 938436169 /nfs/dbraw/zinc/43/61/69/938436169.db2.gz JHZQKTYZKNZCHQ-OAHLLOKOSA-N 0 3 367.405 3.994 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000454455469 945205564 /nfs/dbraw/zinc/20/55/64/945205564.db2.gz MZEOSMAUNOPQGF-HNAYVOBHSA-N 0 3 370.453 3.566 20 5 FHBDHN Cc1oc2ccccc2c1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613338499 940611343 /nfs/dbraw/zinc/61/13/43/940611343.db2.gz IRUJKBBOKZNWRQ-UHFFFAOYSA-N 0 3 368.389 3.753 20 5 FHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000613390064 940662439 /nfs/dbraw/zinc/66/24/39/940662439.db2.gz VWCPBGQBYXJBHY-HNAYVOBHSA-N 0 3 358.438 3.636 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414535461 941375450 /nfs/dbraw/zinc/37/54/50/941375450.db2.gz IFCIUJJEACTACA-HXUWFJFHSA-N 0 3 370.449 3.523 20 5 FHBDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414545661 941376848 /nfs/dbraw/zinc/37/68/48/941376848.db2.gz XEXCTVQCTXJMSN-FQEVSTJZSA-N 0 3 370.449 3.523 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CNCCC3(F)F)o2)c(Cl)c1 ZINC000414997303 941534311 /nfs/dbraw/zinc/53/43/11/941534311.db2.gz HLPVRNLRUHUBGD-OAHLLOKOSA-N 0 3 371.771 3.595 20 5 FHBDHN CCCCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182653165 941958392 /nfs/dbraw/zinc/95/83/92/941958392.db2.gz HUKLTLKTDKQJMH-INIZCTEOSA-N 0 3 361.486 3.983 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000182720477 941961968 /nfs/dbraw/zinc/96/19/68/941961968.db2.gz PXGZTSPJTVGPAK-JKSUJKDBSA-N 0 3 361.486 3.837 20 5 FHBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513506820 941969779 /nfs/dbraw/zinc/96/97/79/941969779.db2.gz CJURETFHSXEHKM-UHFFFAOYSA-N 0 3 354.838 3.588 20 5 FHBDHN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000412257057 941992976 /nfs/dbraw/zinc/99/29/76/941992976.db2.gz MZNBKWGAPZPJJZ-ZVEHZALQSA-N 0 3 367.449 3.506 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000085619962 942034727 /nfs/dbraw/zinc/03/47/27/942034727.db2.gz MGSZBHGTGNRFDP-UHFFFAOYSA-N 0 3 370.453 3.807 20 5 FHBDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102425424 942059216 /nfs/dbraw/zinc/05/92/16/942059216.db2.gz KRBOWUNSWQYVIH-INIZCTEOSA-N 0 3 361.467 3.574 20 5 FHBDHN Cc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541190179 942163469 /nfs/dbraw/zinc/16/34/69/942163469.db2.gz LFNBXAAFHWWKDX-CYBMUJFWSA-N 0 3 357.410 3.619 20 5 FHBDHN CSc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000188090253 942333766 /nfs/dbraw/zinc/33/37/66/942333766.db2.gz WXHUBDYYUNPXGC-INIZCTEOSA-N 0 3 373.478 3.658 20 5 FHBDHN COc1ccc(OCCN[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580131 942340962 /nfs/dbraw/zinc/34/09/62/942340962.db2.gz GNUZCMJAHJEYGI-LLVKDONJSA-N 0 3 352.337 3.611 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000501249858 942364183 /nfs/dbraw/zinc/36/41/83/942364183.db2.gz ULWFRYDSVUJUDQ-UHFFFAOYSA-N 0 3 372.469 3.660 20 5 FHBDHN CCNC(=O)c1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468648358 942376213 /nfs/dbraw/zinc/37/62/13/942376213.db2.gz PCEFYHDJWZTUIS-XNTDXEJSSA-N 0 3 353.422 3.538 20 5 FHBDHN CC(C)[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504048 942482565 /nfs/dbraw/zinc/48/25/65/942482565.db2.gz YTMWFHKIXLNLKH-MOPGFXCFSA-N 0 3 371.412 3.826 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700341 942597236 /nfs/dbraw/zinc/59/72/36/942597236.db2.gz HFPZHKJAKFWDMF-FQEVSTJZSA-N 0 3 353.422 3.973 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000421526899 942637594 /nfs/dbraw/zinc/63/75/94/942637594.db2.gz XPFLPZBVZDGTBJ-HNAYVOBHSA-N 0 3 355.438 3.633 20 5 FHBDHN COc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000425231664 943024275 /nfs/dbraw/zinc/02/42/75/943024275.db2.gz DUNKOZUDUKONKE-ZDUSSCGKSA-N 0 3 374.416 3.775 20 5 FHBDHN COc1cccc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245261 943048853 /nfs/dbraw/zinc/04/88/53/943048853.db2.gz WJBWBTPYGFRHKF-AWEZNQCLSA-N 0 3 356.426 3.636 20 5 FHBDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000435234966 943271921 /nfs/dbraw/zinc/27/19/21/943271921.db2.gz BPORYYRMFIMZIU-HNNXBMFYSA-N 0 3 358.394 3.630 20 5 FHBDHN CC(C)Oc1ccc([C@@H](CNCc2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000515250260 943586039 /nfs/dbraw/zinc/58/60/39/943586039.db2.gz XTBMDCWJAUYQIP-QGZVFWFLSA-N 0 3 363.483 3.836 20 5 FHBDHN COc1cc(CN[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000424200072 943784433 /nfs/dbraw/zinc/78/44/33/943784433.db2.gz QZFHXJRFQGFAAQ-QWHCGFSZSA-N 0 3 374.359 3.823 20 5 FHBDHN Cc1c([C@@H](C)NCCNC(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000424327169 943845961 /nfs/dbraw/zinc/84/59/61/943845961.db2.gz OEBKJBVHBHWCOH-QGZVFWFLSA-N 0 3 369.465 3.693 20 5 FHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922062 943900588 /nfs/dbraw/zinc/90/05/88/943900588.db2.gz XDPJDMLXGSJJAB-WDEREUQCSA-N 0 3 350.337 3.612 20 5 FHBDHN C[C@H]1[C@@H](CO)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993012 944557823 /nfs/dbraw/zinc/55/78/23/944557823.db2.gz JDNBEOJUGHGDJQ-DOTOQJQBSA-N 0 3 355.438 3.565 20 5 FHBDHN Cc1cc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)oc2cc1C ZINC000425993610 944567782 /nfs/dbraw/zinc/56/77/82/944567782.db2.gz CKXWSZGQWIMNRM-UHFFFAOYSA-N 0 3 354.410 3.991 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181745336 945635351 /nfs/dbraw/zinc/63/53/51/945635351.db2.gz HHLJUFBTEZPEBW-HUUCEWRRSA-N 0 3 351.410 3.896 20 5 FHBDHN COc1ccccc1[C@H](CNc1cccc(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000475454560 946078552 /nfs/dbraw/zinc/07/85/52/946078552.db2.gz XZNPUPYXNVZVJW-KRWDZBQOSA-N 0 3 371.437 3.861 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111700562 946513609 /nfs/dbraw/zinc/51/36/09/946513609.db2.gz QFXVUOMAHXPLOA-HNNXBMFYSA-N 0 3 356.426 3.545 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCO)[C@@H]2CCCSC2)o1 ZINC000475510255 946522979 /nfs/dbraw/zinc/52/29/79/946522979.db2.gz NDVCTOAEKWFCCL-CQSZACIVSA-N 0 3 362.451 3.545 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2C2(CC2)C1 ZINC000186231441 946637512 /nfs/dbraw/zinc/63/75/12/946637512.db2.gz UHNQFHIZNLMJSV-UHFFFAOYSA-N 0 3 365.433 3.779 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000541639034 946734644 /nfs/dbraw/zinc/73/46/44/946734644.db2.gz LFESEWCFBKPFIY-LLVKDONJSA-N 0 3 363.439 3.517 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000843771473 946927602 /nfs/dbraw/zinc/92/76/02/946927602.db2.gz KZPFXRDAQZCJBB-GDBMZVCRSA-N 0 3 371.412 3.608 20 5 FHBDHN Cc1c([C@@H](C)N[C@@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862425 947069436 /nfs/dbraw/zinc/06/94/36/947069436.db2.gz GGRLTLBETJSADQ-GDBMZVCRSA-N 0 3 357.410 3.674 20 5 FHBDHN Cc1c([C@H](C)N[C@@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862426 947069642 /nfs/dbraw/zinc/06/96/42/947069642.db2.gz GGRLTLBETJSADQ-GOEBONIOSA-N 0 3 357.410 3.674 20 5 FHBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000523582049 947397785 /nfs/dbraw/zinc/39/77/85/947397785.db2.gz GSQGMJBDRBZCLH-UHFFFAOYSA-N 0 3 351.450 3.870 20 5 FHBDHN C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311929196 948032686 /nfs/dbraw/zinc/03/26/86/948032686.db2.gz FYFDVNYPJJGVNA-DYVFJYSZSA-N 0 3 373.840 3.641 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)Cc2ccccc2)o1 ZINC000105492974 948045014 /nfs/dbraw/zinc/04/50/14/948045014.db2.gz KFRJJVWVRPLFCD-MRXNPFEDSA-N 0 3 352.390 3.548 20 5 FHBDHN CN(C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000432337911 948156629 /nfs/dbraw/zinc/15/66/29/948156629.db2.gz COJGDMFTJYWNCC-SFHVURJKSA-N 0 3 354.385 3.997 20 5 FHBDHN COc1ccc(OCCN[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438622318 948568725 /nfs/dbraw/zinc/56/87/25/948568725.db2.gz GPZSLCDASOLYDM-LBPRGKRZSA-N 0 3 350.802 3.986 20 5 FHBDHN CN(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000108105615 206027689 /nfs/dbraw/zinc/02/76/89/206027689.db2.gz DECAQLXWHVONMN-MRXNPFEDSA-N 0 3 350.422 3.728 20 5 FHBDHN CC(C)(CO)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000290940543 567864491 /nfs/dbraw/zinc/86/44/91/567864491.db2.gz PWZWUOROZDYQLW-MRXNPFEDSA-N 0 3 361.467 3.605 20 5 FHBDHN CCCOc1ncccc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481412894 567906102 /nfs/dbraw/zinc/90/61/02/567906102.db2.gz GYJAVDRKPNLLAT-GOSISDBHSA-N 0 3 355.438 3.890 20 5 FHBDHN COC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000159186883 567907226 /nfs/dbraw/zinc/90/72/26/567907226.db2.gz FWTTUQSBOCFLBE-UHFFFAOYSA-N 0 3 360.435 3.708 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291035137 567985852 /nfs/dbraw/zinc/98/58/52/567985852.db2.gz FRCGFGKMYYSLMK-OAHLLOKOSA-N 0 3 368.437 3.674 20 5 FHBDHN CCC[C@H](NC[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582669 568060502 /nfs/dbraw/zinc/06/05/02/568060502.db2.gz OUBXAUBAHOMQOU-HKUYNNGSSA-N 0 3 362.401 3.605 20 5 FHBDHN CC[C@H](CN(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000481688623 568088808 /nfs/dbraw/zinc/08/88/08/568088808.db2.gz LPJMAWBLEMHOSO-OAHLLOKOSA-N 0 3 355.438 3.709 20 5 FHBDHN CCOc1ccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236906214 568248029 /nfs/dbraw/zinc/24/80/29/568248029.db2.gz RZPBUVOHRVTIQV-KRWDZBQOSA-N 0 3 371.437 3.547 20 5 FHBDHN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000604540786 568309541 /nfs/dbraw/zinc/30/95/41/568309541.db2.gz RAPLMNBOKIMYPZ-HNNXBMFYSA-N 0 3 356.422 3.715 20 5 FHBDHN Cc1ccccc1C[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466912103 936336817 /nfs/dbraw/zinc/33/68/17/936336817.db2.gz DDYBQLXDQDDDCC-KRWDZBQOSA-N 0 3 366.417 3.856 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000061502336 936379091 /nfs/dbraw/zinc/37/90/91/936379091.db2.gz CQRIKJHMMFDFBG-HXUWFJFHSA-N 0 3 367.449 3.779 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274868180 928918512 /nfs/dbraw/zinc/91/85/12/928918512.db2.gz DEKVETCZDKNPFI-HNNXBMFYSA-N 0 3 369.469 3.772 20 5 FHBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676340 929834507 /nfs/dbraw/zinc/83/45/07/929834507.db2.gz BTYXXPYWCKLNBV-JLTOFOAXSA-N 0 3 363.461 3.506 20 5 FHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000134086577 929952521 /nfs/dbraw/zinc/95/25/21/929952521.db2.gz YGUFYZFKJYQLNG-UHFFFAOYSA-N 0 3 365.499 3.511 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)CC(F)(F)F)s1 ZINC000536005767 937388011 /nfs/dbraw/zinc/38/80/11/937388011.db2.gz LLJSDJMHMONESZ-SNVBAGLBSA-N 0 3 360.357 3.726 20 5 FHBDHN CCOC1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000091678062 937409769 /nfs/dbraw/zinc/40/97/69/937409769.db2.gz CBOTVTLSOQKYCM-UHFFFAOYSA-N 0 3 360.410 3.864 20 5 FHBDHN CC[C@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000165517699 930543561 /nfs/dbraw/zinc/54/35/61/930543561.db2.gz ZYHAMIKUOPQWCR-KRWDZBQOSA-N 0 3 361.829 3.719 20 5 FHBDHN O=[N+]([O-])c1ccc(CCNCc2cccc(F)c2Br)cc1 ZINC000156714195 931382958 /nfs/dbraw/zinc/38/29/58/931382958.db2.gz JYOYVKINDIFVNF-UHFFFAOYSA-N 0 3 353.191 3.829 20 5 FHBDHN Cc1c(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178051094 932223403 /nfs/dbraw/zinc/22/34/03/932223403.db2.gz NXLIBKFVYBMKLP-QGZVFWFLSA-N 0 3 367.449 3.545 20 5 FHBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581764387 932632339 /nfs/dbraw/zinc/63/23/39/932632339.db2.gz IVFIKJWABHUUIP-UHFFFAOYSA-N 0 3 367.327 3.928 20 5 FHBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000090942802 932911311 /nfs/dbraw/zinc/91/13/11/932911311.db2.gz QYFQUROLDPYIPP-OEPMTFCVSA-N 0 3 361.392 3.969 20 5 FHBDHN CC[C@H](NC[C@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804522 934440148 /nfs/dbraw/zinc/44/01/48/934440148.db2.gz WZZJXCLZBGPERM-OALUTQOASA-N 0 3 358.438 3.692 20 5 FHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929658 934626310 /nfs/dbraw/zinc/62/63/10/934626310.db2.gz BSNQCGFOYWDDRC-AWEZNQCLSA-N 0 3 360.845 3.744 20 5 FHBDHN CC[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492155 934809053 /nfs/dbraw/zinc/80/90/53/934809053.db2.gz WNYNOZNDTYMQPX-SFTDATJTSA-N 0 3 369.465 3.537 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084293536 934817583 /nfs/dbraw/zinc/81/75/83/934817583.db2.gz LLSAKDGAFSBWBX-UHFFFAOYSA-N 0 3 362.455 3.560 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCO[C@H](C4CC4)C3)cs2)c1 ZINC000157091561 935021158 /nfs/dbraw/zinc/02/11/58/935021158.db2.gz GHVYHINPIQQCHH-YOEHRIQHSA-N 0 3 359.451 3.766 20 5 FHBDHN CC1CCN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006493 935201212 /nfs/dbraw/zinc/20/12/12/935201212.db2.gz GEDRUDGFRFMWQJ-FQEVSTJZSA-N 0 3 367.449 3.798 20 5 FHBDHN COc1ccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000072027276 935225628 /nfs/dbraw/zinc/22/56/28/935225628.db2.gz QKOTUKLFLTTXKM-GOSISDBHSA-N 0 3 359.401 3.992 20 5 FHBDHN COc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000511075183 935286625 /nfs/dbraw/zinc/28/66/25/935286625.db2.gz QOEOCEJLBDTPTM-UHFFFAOYSA-N 0 3 366.364 3.879 20 5 FHBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccsc1 ZINC000187777063 935961730 /nfs/dbraw/zinc/96/17/30/935961730.db2.gz WIASZODANVEKFJ-ZDUSSCGKSA-N 0 3 362.451 3.976 20 5 FHBDHN CCSc1cc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000187795118 936019509 /nfs/dbraw/zinc/01/95/09/936019509.db2.gz HKRAYWNIZFTECU-ZDUSSCGKSA-N 0 3 374.466 3.609 20 5 FHBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167640475 936308474 /nfs/dbraw/zinc/30/84/74/936308474.db2.gz BOQWZXSGTYJOEZ-LJQANCHMSA-N 0 3 357.429 3.830 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H]2CCCC[C@H]21 ZINC000246117140 938336786 /nfs/dbraw/zinc/33/67/86/938336786.db2.gz KUIIYTSRTHVXAH-SJORKVTESA-N 0 3 363.483 3.592 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000140564980 945180513 /nfs/dbraw/zinc/18/05/13/945180513.db2.gz LXWIMYMGQAFGOD-UHFFFAOYSA-N 0 3 371.393 3.589 20 5 FHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000519163401 945182609 /nfs/dbraw/zinc/18/26/09/945182609.db2.gz HFUSQKOUZMXBIB-UHFFFAOYSA-N 0 3 370.453 3.623 20 5 FHBDHN CSc1ccccc1NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411772055 940115769 /nfs/dbraw/zinc/11/57/69/940115769.db2.gz PTNYPCSNIGPBCF-ZDUSSCGKSA-N 0 3 359.451 3.996 20 5 FHBDHN CN(CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Cc1ccc(F)cc1 ZINC000612999303 940383216 /nfs/dbraw/zinc/38/32/16/940383216.db2.gz XBXLCWNSVSBUSV-UHFFFAOYSA-N 0 3 354.385 3.729 20 5 FHBDHN CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186313133 940980848 /nfs/dbraw/zinc/98/08/48/940980848.db2.gz WMNHTOHOWMLEQB-LJQANCHMSA-N 0 3 367.449 3.640 20 5 FHBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000311925121 941651939 /nfs/dbraw/zinc/65/19/39/941651939.db2.gz FLDQYKRKBXMKBC-CXAGYDPISA-N 0 3 373.840 3.641 20 5 FHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(CN2CCCCC2)c1 ZINC000412151067 941846281 /nfs/dbraw/zinc/84/62/81/941846281.db2.gz YIEPNSHSEGZQPA-UHFFFAOYSA-N 0 3 367.449 3.553 20 5 FHBDHN Cc1cccc(NC[C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000119198687 941873503 /nfs/dbraw/zinc/87/35/03/941873503.db2.gz QEUZSHBBGPBTQI-CQSZACIVSA-N 0 3 360.845 3.886 20 5 FHBDHN C[C@H](c1ccco1)N(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000119269690 941875539 /nfs/dbraw/zinc/87/55/39/941875539.db2.gz WGIKVJXXPLKBLH-CYBMUJFWSA-N 0 3 371.393 3.711 20 5 FHBDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000412257055 941992769 /nfs/dbraw/zinc/99/27/69/941992769.db2.gz MZNBKWGAPZPJJZ-VVHHDAOASA-N 0 3 367.449 3.506 20 5 FHBDHN COc1ccc(OCCN[C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420999513 942297068 /nfs/dbraw/zinc/29/70/68/942297068.db2.gz VGYZNWSJODKBSZ-OAHLLOKOSA-N 0 3 366.364 3.968 20 5 FHBDHN Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319725 942351823 /nfs/dbraw/zinc/35/18/23/942351823.db2.gz KECVIKJVBSEGNY-KRWDZBQOSA-N 0 3 354.454 3.816 20 5 FHBDHN CCNC(=O)c1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468648356 942376252 /nfs/dbraw/zinc/37/62/52/942376252.db2.gz PCEFYHDJWZTUIS-GDNBJRDFSA-N 0 3 353.422 3.538 20 5 FHBDHN COc1ccc(NC(=O)CN2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000514234848 942846254 /nfs/dbraw/zinc/84/62/54/942846254.db2.gz SZSPHYXJBYYSOJ-QGZVFWFLSA-N 0 3 361.442 3.587 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCC)CCN(C)C ZINC000503137458 943004222 /nfs/dbraw/zinc/00/42/22/943004222.db2.gz IBVILUXAMMBTSN-UHFFFAOYSA-N 0 3 353.488 3.511 20 5 FHBDHN CCc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000514510981 943073463 /nfs/dbraw/zinc/07/34/63/943073463.db2.gz HWIVBTXYHVJJIB-IBGZPJMESA-N 0 3 370.453 3.890 20 5 FHBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455480 943191852 /nfs/dbraw/zinc/19/18/52/943191852.db2.gz UFLQXNSWKWEPHI-NZVBXONLSA-N 0 3 371.890 3.839 20 5 FHBDHN CCc1oc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)OC ZINC000566384660 943200108 /nfs/dbraw/zinc/20/01/08/943200108.db2.gz VKHTYCHBRWAEPY-UHFFFAOYSA-N 0 3 366.801 3.523 20 5 FHBDHN CCOc1ccc([C@H](C)NCCOc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504905123 943903215 /nfs/dbraw/zinc/90/32/15/943903215.db2.gz CPVQSTYGGQORKP-AWEZNQCLSA-N 0 3 360.410 3.732 20 5 FHBDHN CO[C@](C)([C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425477000 944072856 /nfs/dbraw/zinc/07/28/56/944072856.db2.gz NUFZDTUUEOYHBE-MEBBXXQBSA-N 0 3 357.248 3.651 20 5 FHBDHN C[C@@H]1[C@H](CO)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993015 944557735 /nfs/dbraw/zinc/55/77/35/944557735.db2.gz JDNBEOJUGHGDJQ-WBVHZDCISA-N 0 3 355.438 3.565 20 5 FHBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](C)C1 ZINC000506259771 944711502 /nfs/dbraw/zinc/71/15/02/944711502.db2.gz NLMPPJOUOJEGFP-QWHCGFSZSA-N 0 3 361.467 3.660 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181745316 945635163 /nfs/dbraw/zinc/63/51/63/945635163.db2.gz HHLJUFBTEZPEBW-GJZGRUSLSA-N 0 3 351.410 3.896 20 5 FHBDHN CCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479935 945667068 /nfs/dbraw/zinc/66/70/68/945667068.db2.gz JINNMFYFSOQMPU-QGZVFWFLSA-N 0 3 363.458 3.816 20 5 FHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)c1ccccc1 ZINC000519898531 945848986 /nfs/dbraw/zinc/84/89/86/945848986.db2.gz ZAOWFSCBQKFQSI-OAHLLOKOSA-N 0 3 373.478 3.670 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000109505072 946319102 /nfs/dbraw/zinc/31/91/02/946319102.db2.gz WKRSPCHBBHJORB-HXUWFJFHSA-N 0 3 367.449 3.779 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000475361236 946952716 /nfs/dbraw/zinc/95/27/16/946952716.db2.gz FSHXZAHSXCTMIA-DYVFJYSZSA-N 0 3 374.462 3.954 20 5 FHBDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373562 947223119 /nfs/dbraw/zinc/22/31/19/947223119.db2.gz JSOZAGAAAMYIFK-XJKSGUPXSA-N 0 3 364.829 3.681 20 5 FHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032217016 948151525 /nfs/dbraw/zinc/15/15/25/948151525.db2.gz ZTFOMTMCHWNCKY-GOSISDBHSA-N 0 3 373.840 3.815 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000067443668 205370751 /nfs/dbraw/zinc/37/07/51/205370751.db2.gz CUCIAXQGNBNAQB-AWEZNQCLSA-N 0 3 351.410 3.578 20 5 FHBDHN CC[C@H](Cc1ccccc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128723180 568220319 /nfs/dbraw/zinc/22/03/19/568220319.db2.gz UKOJBHLLZIDETK-GOSISDBHSA-N 0 3 356.422 3.914 20 5 FHBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291639858 568236433 /nfs/dbraw/zinc/23/64/33/568236433.db2.gz GFNNXSAMWBYXEM-SNVBAGLBSA-N 0 3 374.268 3.704 20 5 FHBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000128792378 568305165 /nfs/dbraw/zinc/30/51/65/568305165.db2.gz TZPUSWQUXCVEDG-UHFFFAOYSA-N 0 3 353.422 3.680 20 5 FHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1c1ccccc1 ZINC000569298012 568344323 /nfs/dbraw/zinc/34/43/23/568344323.db2.gz NWHFQAFVSPINJL-ROUUACIJSA-N 0 3 356.422 3.562 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000569635371 568411593 /nfs/dbraw/zinc/41/15/93/568411593.db2.gz ZXTKKOIPHFGFSW-RTBURBONSA-N 0 3 366.465 3.565 20 5 FHBDHN COc1cccc(N2CC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252448 568529354 /nfs/dbraw/zinc/52/93/54/568529354.db2.gz BANSREGPZVVFNY-JKSUJKDBSA-N 0 3 355.438 3.841 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241350 927835390 /nfs/dbraw/zinc/83/53/90/927835390.db2.gz OGJJZIITGMMBGU-GOSISDBHSA-N 0 3 363.421 3.760 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246892015 928334017 /nfs/dbraw/zinc/33/40/17/928334017.db2.gz BOQWALBPCAAMPH-GDBMZVCRSA-N 0 3 351.410 3.578 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296405 929398469 /nfs/dbraw/zinc/39/84/69/929398469.db2.gz JBTIHIORUVJLNY-NVXWUHKLSA-N 0 3 353.422 3.641 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000187209613 929539457 /nfs/dbraw/zinc/53/94/57/929539457.db2.gz FTIDXCCIFSLRCO-UGSOOPFHSA-N 0 3 373.478 3.738 20 5 FHBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C ZINC000275754775 930155824 /nfs/dbraw/zinc/15/58/24/930155824.db2.gz JQQYDDBAJCRGHN-GOEBONIOSA-N 0 3 363.461 3.648 20 5 FHBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C ZINC000275754783 930156067 /nfs/dbraw/zinc/15/60/67/930156067.db2.gz JQQYDDBAJCRGHN-HOCLYGCPSA-N 0 3 363.461 3.648 20 5 FHBDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000560909877 930241325 /nfs/dbraw/zinc/24/13/25/930241325.db2.gz QYFQUROLDPYIPP-KHDYIWLOSA-N 0 3 361.392 3.969 20 5 FHBDHN COc1ccc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000537290313 930897821 /nfs/dbraw/zinc/89/78/21/930897821.db2.gz QFBIFFLPMKGBAV-FQEVSTJZSA-N 0 3 369.421 3.591 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN([C@H](C)c1ccco1)C1CC1 ZINC000119262399 930992055 /nfs/dbraw/zinc/99/20/55/930992055.db2.gz UTBQZPBFHCKQJL-CYBMUJFWSA-N 0 3 373.409 3.751 20 5 FHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000580706800 931035942 /nfs/dbraw/zinc/03/59/42/931035942.db2.gz QOJDTBYMXUJWOZ-MRXNPFEDSA-N 0 3 367.449 3.898 20 5 FHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000084250484 932975441 /nfs/dbraw/zinc/97/54/41/932975441.db2.gz JEKFZZJSMHPVCE-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN Cc1cccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000247511392 934011893 /nfs/dbraw/zinc/01/18/93/934011893.db2.gz VSBRCUNWKOPXMR-KBXCAEBGSA-N 0 3 373.478 3.778 20 5 FHBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000458194450 934366319 /nfs/dbraw/zinc/36/63/19/934366319.db2.gz ANLQSLWEGQZJRR-UHFFFAOYSA-N 0 3 373.434 3.607 20 5 FHBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804511 934439928 /nfs/dbraw/zinc/43/99/28/934439928.db2.gz UXOMYWOVLMQCEG-IRXDYDNUSA-N 0 3 358.438 3.611 20 5 FHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000065222875 934731927 /nfs/dbraw/zinc/73/19/27/934731927.db2.gz VVCDUIAGGJDLHQ-UHFFFAOYSA-N 0 3 355.438 3.706 20 5 FHBDHN C/C=C\C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472140774 935172034 /nfs/dbraw/zinc/17/20/34/935172034.db2.gz TYGOJQPGQAKNKI-DLGQBQFBSA-N 0 3 350.802 3.925 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000072064487 935265044 /nfs/dbraw/zinc/26/50/44/935265044.db2.gz PFMBYMXWGMQJRC-FQEVSTJZSA-N 0 3 367.449 3.779 20 5 FHBDHN COc1cc(CN[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520761 935978441 /nfs/dbraw/zinc/97/84/41/935978441.db2.gz UEZQTRYLBNEMPB-JTQLQIEISA-N 0 3 366.311 3.525 20 5 FHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(COc2ccccc2)CC1 ZINC000065612414 936250267 /nfs/dbraw/zinc/25/02/67/936250267.db2.gz XAXQSISTXDGDTC-UHFFFAOYSA-N 0 3 356.422 3.765 20 5 FHBDHN CC1(C)C[C@H](NCc2cccnc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278600400 938574203 /nfs/dbraw/zinc/57/42/03/938574203.db2.gz AOTOVMYXQVBIFZ-SFHVURJKSA-N 0 3 363.421 3.688 20 5 FHBDHN Cc1c(NC(=O)[C@H](C)N(C)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000052802823 938594446 /nfs/dbraw/zinc/59/44/46/938594446.db2.gz WOFIWXNNOXVGJJ-INIZCTEOSA-N 0 3 355.438 3.795 20 5 FHBDHN Cc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000584191554 938636967 /nfs/dbraw/zinc/63/69/67/938636967.db2.gz MICLLDJMCXUWRS-CRAIPNDOSA-N 0 3 368.437 3.688 20 5 FHBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065675113 938858419 /nfs/dbraw/zinc/85/84/19/938858419.db2.gz FIXVXNAPHWIHPL-QWHCGFSZSA-N 0 3 361.467 3.660 20 5 FHBDHN CSc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584432850 938871582 /nfs/dbraw/zinc/87/15/82/938871582.db2.gz YWCOZWWPAWXDRS-SFHVURJKSA-N 0 3 373.478 3.658 20 5 FHBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1OC ZINC000106367098 945256231 /nfs/dbraw/zinc/25/62/31/945256231.db2.gz QWYYHGSKOHKLOE-UHFFFAOYSA-N 0 3 350.802 3.598 20 5 FHBDHN Cc1noc([C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000179712346 939924647 /nfs/dbraw/zinc/92/46/47/939924647.db2.gz SOYNYNGOXJXHHZ-OAHLLOKOSA-N 0 3 368.393 3.926 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000136688005 940115703 /nfs/dbraw/zinc/11/57/03/940115703.db2.gz JPDJALJOHLPXDF-INIZCTEOSA-N 0 3 361.829 3.589 20 5 FHBDHN Cc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(-c2ccnn2C)c1 ZINC000548980705 940416574 /nfs/dbraw/zinc/41/65/74/940416574.db2.gz PLMIDFIPEITLAB-UHFFFAOYSA-N 0 3 350.422 3.902 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798236 940487547 /nfs/dbraw/zinc/48/75/47/940487547.db2.gz YSKDRWWMIIMHJG-MGPUTAFESA-N 0 3 358.413 3.722 20 5 FHBDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000310870102 940962547 /nfs/dbraw/zinc/96/25/47/940962547.db2.gz ZIHRSEWTHWYFRG-SFHVURJKSA-N 0 3 351.447 3.624 20 5 FHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186328621 940977796 /nfs/dbraw/zinc/97/77/96/940977796.db2.gz YQOAZGJTQMBPQG-IBGZPJMESA-N 0 3 367.449 3.640 20 5 FHBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511507692 941033945 /nfs/dbraw/zinc/03/39/45/941033945.db2.gz QXOIJGQPDCJCQZ-NKAACUPNSA-N 0 3 359.470 3.625 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180604865 941052471 /nfs/dbraw/zinc/05/24/71/941052471.db2.gz ZNMZEBKAWYRDDV-UWJYYQICSA-N 0 3 370.449 3.717 20 5 FHBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000188814435 941095747 /nfs/dbraw/zinc/09/57/47/941095747.db2.gz XAWAHTXJBRUITO-AWEZNQCLSA-N 0 3 362.451 3.561 20 5 FHBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000188814657 941095797 /nfs/dbraw/zinc/09/57/97/941095797.db2.gz RXSGOWIRVLSMKZ-MRXNPFEDSA-N 0 3 362.451 3.561 20 5 FHBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@@H]1O ZINC000190054762 941722674 /nfs/dbraw/zinc/72/26/74/941722674.db2.gz ZTCPBZKGERDIOX-BZNIZROVSA-N 0 3 350.802 3.711 20 5 FHBDHN CSC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120680237 941765775 /nfs/dbraw/zinc/76/57/75/941765775.db2.gz PMGXUJORUIUMDT-MRXNPFEDSA-N 0 3 370.858 3.712 20 5 FHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cn(C)nc1C(F)(F)F ZINC000468604975 941821090 /nfs/dbraw/zinc/82/10/90/941821090.db2.gz FISWDXNHRYDMRL-WDZFZDKYSA-N 0 3 354.332 3.540 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CN2CCCCC2=O)CC1 ZINC000182877697 941977343 /nfs/dbraw/zinc/97/73/43/941977343.db2.gz NMLRWIKEAVDJKJ-INIZCTEOSA-N 0 3 359.470 3.689 20 5 FHBDHN COc1cc(CN(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000544107057 942037838 /nfs/dbraw/zinc/03/78/38/942037838.db2.gz BRYZVQWWEAPYES-GFCCVEGCSA-N 0 3 356.369 3.993 20 5 FHBDHN COc1ccc([C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1 ZINC000102693173 942083473 /nfs/dbraw/zinc/08/34/73/942083473.db2.gz NOEDRSMUGSNINB-HXUWFJFHSA-N 0 3 371.437 3.837 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000085637639 942333215 /nfs/dbraw/zinc/33/32/15/942333215.db2.gz YQZVPIHJDSRWQE-OAHLLOKOSA-N 0 3 370.453 3.854 20 5 FHBDHN O=C(CN[C@H](c1ccccc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104697792 942597263 /nfs/dbraw/zinc/59/72/63/942597263.db2.gz CKJWZPMDMZNJGJ-OAQYLSRUSA-N 0 3 365.433 3.615 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000378510007 942837725 /nfs/dbraw/zinc/83/77/25/942837725.db2.gz YWUJAJMKQBUHBV-OAHLLOKOSA-N 0 3 368.437 3.710 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCCN3C3CC3)cs2)c1 ZINC000434782730 942961677 /nfs/dbraw/zinc/96/16/77/942961677.db2.gz DNKHFCZPYJOEQX-SFHVURJKSA-N 0 3 372.494 3.825 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000505552604 943009318 /nfs/dbraw/zinc/00/93/18/943009318.db2.gz BLVKDXCBRBMSDF-FQEVSTJZSA-N 0 3 356.422 3.655 20 5 FHBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000505559555 943029932 /nfs/dbraw/zinc/02/99/32/943029932.db2.gz LGFLHXOIDRKPHO-SFHVURJKSA-N 0 3 356.422 3.655 20 5 FHBDHN COc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425235761 943033354 /nfs/dbraw/zinc/03/33/54/943033354.db2.gz IWHYKKWVCZFFMU-AWEZNQCLSA-N 0 3 356.426 3.636 20 5 FHBDHN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505602929 943151023 /nfs/dbraw/zinc/15/10/23/943151023.db2.gz BERDRWWVQRXQCP-SJCJKPOMSA-N 0 3 361.829 3.669 20 5 FHBDHN C[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000162331790 943333373 /nfs/dbraw/zinc/33/33/73/943333373.db2.gz JRGGNQMZCNPODC-HXUWFJFHSA-N 0 3 371.412 3.518 20 5 FHBDHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000120269179 943352874 /nfs/dbraw/zinc/35/28/74/943352874.db2.gz HLDLQGVNKNJBAN-QGZVFWFLSA-N 0 3 361.829 3.952 20 5 FHBDHN COc1cc(CN[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000425356948 943364518 /nfs/dbraw/zinc/36/45/18/943364518.db2.gz REMVHLKGAHEPGB-QWHCGFSZSA-N 0 3 356.369 3.526 20 5 FHBDHN Cc1cnn([C@@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000584501902 943927109 /nfs/dbraw/zinc/92/71/09/943927109.db2.gz ZZVIBOCSSKMMJE-QGZVFWFLSA-N 0 3 352.394 3.807 20 5 FHBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000425493514 944112355 /nfs/dbraw/zinc/11/23/55/944112355.db2.gz OYGUHUDHCGULEB-YUELXQCFSA-N 0 3 369.259 3.651 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CO)Cc3ccc(F)cc3)o2)c1 ZINC000500246932 944327549 /nfs/dbraw/zinc/32/75/49/944327549.db2.gz ZNDSXFNPNIPIQV-KRWDZBQOSA-N 0 3 370.380 3.687 20 5 FHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)c1ccccc1 ZINC000517536093 944381850 /nfs/dbraw/zinc/38/18/50/944381850.db2.gz RMDTUFWRGMYMOW-CYBMUJFWSA-N 0 3 365.380 3.811 20 5 FHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000425967487 944447080 /nfs/dbraw/zinc/44/70/80/944447080.db2.gz ODJDQEUDCFWKDS-UHFFFAOYSA-N 0 3 370.331 3.527 20 5 FHBDHN Cc1cc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789234 944468794 /nfs/dbraw/zinc/46/87/94/944468794.db2.gz RTDBPIHMKOOCLY-QAPCUYQASA-N 0 3 368.437 3.860 20 5 FHBDHN C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947113 944787816 /nfs/dbraw/zinc/78/78/16/944787816.db2.gz SKDZJATXMVPWPX-OYYNGEPBSA-N 0 3 373.840 3.871 20 5 FHBDHN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511762753 945051910 /nfs/dbraw/zinc/05/19/10/945051910.db2.gz OITFDMSKMRHOTP-AYBZRNKSSA-N 0 3 356.397 3.738 20 5 FHBDHN CCOC(=O)[C@](C)(CN[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468860837 945413229 /nfs/dbraw/zinc/41/32/29/945413229.db2.gz FOLKBMYDNYCPJT-FOIQADDNSA-N 0 3 356.422 3.766 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778383 946096851 /nfs/dbraw/zinc/09/68/51/946096851.db2.gz FLCIWFUAHVYBEA-AEFFLSMTSA-N 0 3 374.485 3.748 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000109288210 946223997 /nfs/dbraw/zinc/22/39/97/946223997.db2.gz CWCJAYFPHLYVPW-GOSISDBHSA-N 0 3 373.478 3.658 20 5 FHBDHN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186478860 946371017 /nfs/dbraw/zinc/37/10/17/946371017.db2.gz GLSLUZQNCUZFNL-SJKOYZFVSA-N 0 3 361.829 3.669 20 5 FHBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000048050822 946485224 /nfs/dbraw/zinc/48/52/24/946485224.db2.gz OLCYCNPNTQZKGE-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000843771474 946927645 /nfs/dbraw/zinc/92/76/45/946927645.db2.gz KZPFXRDAQZCJBB-GOEBONIOSA-N 0 3 371.412 3.608 20 5 FHBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491438 947141282 /nfs/dbraw/zinc/14/12/82/947141282.db2.gz QPXBQDMTZUEKOS-UKRRQHHQSA-N 0 3 372.396 3.978 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444779240 947191515 /nfs/dbraw/zinc/19/15/15/947191515.db2.gz BEHOHQHFKKQVQC-KRWDZBQOSA-N 0 3 354.450 3.973 20 5 FHBDHN CC(C)c1ccc(CN2CCC[C@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182088632 948632919 /nfs/dbraw/zinc/63/29/19/948632919.db2.gz SUMLCFRDLJJIJS-MRXNPFEDSA-N 0 3 356.470 3.906 20 5 FHBDHN COc1ccc([C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000108081888 206028331 /nfs/dbraw/zinc/02/83/31/206028331.db2.gz CQSMCKALSXHMSD-IBGZPJMESA-N 0 3 356.422 3.992 20 5 FHBDHN CCCOc1ncccc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481412895 567905660 /nfs/dbraw/zinc/90/56/60/567905660.db2.gz GYJAVDRKPNLLAT-SFHVURJKSA-N 0 3 355.438 3.890 20 5 FHBDHN Cc1noc(C)c1C[C@@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602553924 567991017 /nfs/dbraw/zinc/99/10/17/567991017.db2.gz XGRACXFNQMUBAS-SSDOTTSWSA-N 0 3 374.260 3.744 20 5 FHBDHN COCCOCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000291066527 568049078 /nfs/dbraw/zinc/04/90/78/568049078.db2.gz AQSHLSPOJHRFRB-INIZCTEOSA-N 0 3 358.438 3.917 20 5 FHBDHN CC(C)(C)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000568510206 568051755 /nfs/dbraw/zinc/05/17/55/568051755.db2.gz RAKKWJKVDOTJKV-MRXNPFEDSA-N 0 3 373.478 3.812 20 5 FHBDHN CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000291237316 568084908 /nfs/dbraw/zinc/08/49/08/568084908.db2.gz APLDQUXLDWCIIM-QMTHXVAHSA-N 0 3 374.268 3.704 20 5 FHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291237195 568088189 /nfs/dbraw/zinc/08/81/89/568088189.db2.gz QJEXMIAUEYFEKI-CABCVRRESA-N 0 3 368.437 3.926 20 5 FHBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000481826825 568136359 /nfs/dbraw/zinc/13/63/59/568136359.db2.gz VZFUGTJANYECDN-OAHLLOKOSA-N 0 3 367.449 3.684 20 5 FHBDHN Cc1ccc([C@H](C)NCCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000482033042 568232981 /nfs/dbraw/zinc/23/29/81/568232981.db2.gz NEQWLVURLICECO-INIZCTEOSA-N 0 3 350.422 3.982 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000482135319 568277067 /nfs/dbraw/zinc/27/70/67/568277067.db2.gz ZOOFRAHTJDPVBV-UHFFFAOYSA-N 0 3 362.474 3.941 20 5 FHBDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255685 568321027 /nfs/dbraw/zinc/32/10/27/568321027.db2.gz CSIPUMKSOWQWMD-XHDPSFHLSA-N 0 3 374.466 3.824 20 5 FHBDHN O=C(c1csc([N+](=O)[O-])c1)N(CCN1CCCCCC1)C1CCC1 ZINC000569523295 568404726 /nfs/dbraw/zinc/40/47/26/568404726.db2.gz HFASQPMEWWBETC-UHFFFAOYSA-N 0 3 351.472 3.527 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1cccs1 ZINC000569626038 568410843 /nfs/dbraw/zinc/41/08/43/568410843.db2.gz ZTODPAOFPBUWRE-UHFFFAOYSA-N 0 3 363.439 3.518 20 5 FHBDHN COc1ccc(-c2ccc(CN(C)[C@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000570008897 568449444 /nfs/dbraw/zinc/44/94/44/568449444.db2.gz JXSMKXKNJBXBGU-AWEZNQCLSA-N 0 3 362.426 3.702 20 5 FHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248025 568466256 /nfs/dbraw/zinc/46/62/56/568466256.db2.gz HOEHNFIBCAIBQF-OOXMNIKJSA-N 0 3 367.453 3.873 20 5 FHBDHN COc1cccc(N2CC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252445 568529132 /nfs/dbraw/zinc/52/91/32/568529132.db2.gz BANSREGPZVVFNY-CVEARBPZSA-N 0 3 355.438 3.841 20 5 FHBDHN COC[C@@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889115 568620559 /nfs/dbraw/zinc/62/05/59/568620559.db2.gz JROOOTLGDWQAAN-HRAATJIYSA-N 0 3 370.449 3.668 20 5 FHBDHN CSc1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187093040 927907973 /nfs/dbraw/zinc/90/79/73/927907973.db2.gz WYCNLIXTKHUXDU-SUMWQHHRSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000548010744 929937622 /nfs/dbraw/zinc/93/76/22/929937622.db2.gz ZLMXMRYKPIIJSA-RDJZCZTQSA-N 0 3 354.454 3.987 20 5 FHBDHN CSc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000580177281 930330506 /nfs/dbraw/zinc/33/05/06/930330506.db2.gz JDCUPUZWWZGSEU-GOSISDBHSA-N 0 3 373.478 3.658 20 5 FHBDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872277 931397124 /nfs/dbraw/zinc/39/71/24/931397124.db2.gz UCRPHASUCHLTKQ-JSGCOSHPSA-N 0 3 359.451 3.643 20 5 FHBDHN Cc1ccc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000177934270 931633742 /nfs/dbraw/zinc/63/37/42/931633742.db2.gz OBLJUWDEKKJTNU-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000156087116 931747615 /nfs/dbraw/zinc/74/76/15/931747615.db2.gz OIZSBTQJIONVIE-UHFFFAOYSA-N 0 3 362.455 3.560 20 5 FHBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156513257 933087720 /nfs/dbraw/zinc/08/77/20/933087720.db2.gz IQTLGZPSZPEVBU-OAHLLOKOSA-N 0 3 355.438 3.880 20 5 FHBDHN COc1cc(CN(C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158064215 934418606 /nfs/dbraw/zinc/41/86/06/934418606.db2.gz ZVYCTSKXAACVEX-SNVBAGLBSA-N 0 3 362.348 3.775 20 5 FHBDHN C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827919 934501957 /nfs/dbraw/zinc/50/19/57/934501957.db2.gz DSYAIYMYNWYPGR-DNVCBOLYSA-N 0 3 350.422 3.963 20 5 FHBDHN Cc1ccccc1CN1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928958 934626413 /nfs/dbraw/zinc/62/64/13/934626413.db2.gz WDNVDSIUYXXGIH-UHFFFAOYSA-N 0 3 360.845 3.664 20 5 FHBDHN COc1ccc(Cl)cc1[C@H](CC(C)C)NCCn1ccc([N+](=O)[O-])n1 ZINC000538212900 934808846 /nfs/dbraw/zinc/80/88/46/934808846.db2.gz BJRAWHOBAICQGL-HNNXBMFYSA-N 0 3 366.849 3.830 20 5 FHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000071895723 934951607 /nfs/dbraw/zinc/95/16/07/934951607.db2.gz JJNASMQVYUVRLA-IBGZPJMESA-N 0 3 359.401 3.992 20 5 FHBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000472125321 935098602 /nfs/dbraw/zinc/09/86/02/935098602.db2.gz BSCRQPBCZOXAFC-YVEFUNNKSA-N 0 3 360.389 3.547 20 5 FHBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000472125318 935098897 /nfs/dbraw/zinc/09/88/97/935098897.db2.gz BSCRQPBCZOXAFC-PXAZEXFGSA-N 0 3 360.389 3.547 20 5 FHBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000472125320 935098923 /nfs/dbraw/zinc/09/89/23/935098923.db2.gz BSCRQPBCZOXAFC-SJKOYZFVSA-N 0 3 360.389 3.547 20 5 FHBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000539248564 935105946 /nfs/dbraw/zinc/10/59/46/935105946.db2.gz VVOUXLFMOCOVCT-LBPRGKRZSA-N 0 3 352.337 3.926 20 5 FHBDHN CC(C)c1ccccc1OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511073659 935250593 /nfs/dbraw/zinc/25/05/93/935250593.db2.gz PZDQPECXKXNTFV-SFHVURJKSA-N 0 3 372.465 3.632 20 5 FHBDHN CC(C)CNC(=O)c1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511075161 935270956 /nfs/dbraw/zinc/27/09/56/935270956.db2.gz YNIPFLBPWXQUMF-UHFFFAOYSA-N 0 3 369.465 3.655 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201303 935396036 /nfs/dbraw/zinc/39/60/36/935396036.db2.gz NNQUBAWLGJRXMD-XHDPSFHLSA-N 0 3 365.817 3.700 20 5 FHBDHN CC(C)C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000540719137 935539873 /nfs/dbraw/zinc/53/98/73/935539873.db2.gz FMUWNPTTYHJOKX-ZFWWWQNUSA-N 0 3 358.385 3.880 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCc2nc3ccccc3n2C(F)F)c(F)c1 ZINC000478252749 935597333 /nfs/dbraw/zinc/59/73/33/935597333.db2.gz LITXHIFPTPFBMU-UHFFFAOYSA-N 0 3 364.327 3.811 20 5 FHBDHN Cc1c(CN[C@@H](C)c2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000478505720 935638931 /nfs/dbraw/zinc/63/89/31/935638931.db2.gz GQQBJCIGSPLEIW-INIZCTEOSA-N 0 3 355.438 3.591 20 5 FHBDHN CN(CCCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccco1 ZINC000516672424 945115797 /nfs/dbraw/zinc/11/57/97/945115797.db2.gz QHIMNZLRKATXBU-UHFFFAOYSA-N 0 3 372.347 3.560 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2ccco2)C1 ZINC000511119208 935678520 /nfs/dbraw/zinc/67/85/20/935678520.db2.gz DAGXGMFIYBXARM-UHFFFAOYSA-N 0 3 355.394 3.614 20 5 FHBDHN CC(C)C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000277979021 936301947 /nfs/dbraw/zinc/30/19/47/936301947.db2.gz MEIXSTVCMOEFGV-OAHLLOKOSA-N 0 3 365.477 3.800 20 5 FHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000052486055 938339434 /nfs/dbraw/zinc/33/94/34/938339434.db2.gz DLRRLQWFXCVHSW-LJQANCHMSA-N 0 3 354.385 3.997 20 5 FHBDHN Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000583721598 938375914 /nfs/dbraw/zinc/37/59/14/938375914.db2.gz GNHILKOVQPDIEA-IBGZPJMESA-N 0 3 356.422 3.573 20 5 FHBDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397632 938385822 /nfs/dbraw/zinc/38/58/22/938385822.db2.gz FKZLFHYFVNJVLB-BFUOFWGJSA-N 0 3 365.433 3.842 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750166 938520790 /nfs/dbraw/zinc/52/07/90/938520790.db2.gz BAQONVYFQOZPQF-GRDNDAEWSA-N 0 3 374.441 3.677 20 5 FHBDHN CC[C@@H](C)N[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750167 938520905 /nfs/dbraw/zinc/52/09/05/938520905.db2.gz BAQONVYFQOZPQF-JKIFEVAISA-N 0 3 374.441 3.677 20 5 FHBDHN CC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849221 938898427 /nfs/dbraw/zinc/89/84/27/938898427.db2.gz UDJMDFMYFUWPNB-KUHUBIRLSA-N 0 3 351.410 3.977 20 5 FHBDHN C[C@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101825895 938936539 /nfs/dbraw/zinc/93/65/39/938936539.db2.gz ZFAAGQKMXVJJLY-OXJNMPFZSA-N 0 3 367.449 3.652 20 5 FHBDHN COC(=O)c1ccccc1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000480585922 938997040 /nfs/dbraw/zinc/99/70/40/938997040.db2.gz ZZNRLLASMDUBIM-UHFFFAOYSA-N 0 3 354.406 3.589 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000120850289 945252441 /nfs/dbraw/zinc/25/24/41/945252441.db2.gz OXRVRXLLGIBSBW-UHFFFAOYSA-N 0 3 373.478 3.521 20 5 FHBDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411282500 940027557 /nfs/dbraw/zinc/02/75/57/940027557.db2.gz UZYLJCKTSRVQFR-GFCCVEGCSA-N 0 3 362.455 3.690 20 5 FHBDHN COC(=O)c1cc2cc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000180437777 941014615 /nfs/dbraw/zinc/01/46/15/941014615.db2.gz YLOFRDZCJNKWGR-GFCCVEGCSA-N 0 3 354.362 3.978 20 5 FHBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000188814677 941095697 /nfs/dbraw/zinc/09/56/97/941095697.db2.gz RXSGOWIRVLSMKZ-INIZCTEOSA-N 0 3 362.451 3.561 20 5 FHBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000189170353 941149426 /nfs/dbraw/zinc/14/94/26/941149426.db2.gz ZMNCQKDWTLNRPT-INIZCTEOSA-N 0 3 367.449 3.529 20 5 FHBDHN Cn1cc(CN2CCSC3(CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414479239 941328480 /nfs/dbraw/zinc/32/84/80/941328480.db2.gz RMHBSIAMXZTHLI-UHFFFAOYSA-N 0 3 372.494 3.857 20 5 FHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000311925124 941651829 /nfs/dbraw/zinc/65/18/29/941651829.db2.gz FLDQYKRKBXMKBC-DYVFJYSZSA-N 0 3 373.840 3.641 20 5 FHBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCCN(Cc2ccccc2)CC1 ZINC000473528017 941941302 /nfs/dbraw/zinc/94/13/02/941941302.db2.gz LQFGCSDSILYYEV-UHFFFAOYSA-N 0 3 362.433 3.855 20 5 FHBDHN Cc1ccc(Sc2ccc(CNC[C@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513649328 942054462 /nfs/dbraw/zinc/05/44/62/942054462.db2.gz WSKBJBIRCAFCBE-INIZCTEOSA-N 0 3 374.462 3.559 20 5 FHBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000187877624 942236766 /nfs/dbraw/zinc/23/67/66/942236766.db2.gz XNMMXCSSXWFDAP-UHFFFAOYSA-N 0 3 359.426 3.515 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000421419328 942550304 /nfs/dbraw/zinc/55/03/04/942550304.db2.gz KMPWFQINOGOOAF-UHFFFAOYSA-N 0 3 371.437 3.541 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434350072 942597958 /nfs/dbraw/zinc/59/79/58/942597958.db2.gz OORWTAFBCUARKX-LJQANCHMSA-N 0 3 374.485 3.532 20 5 FHBDHN COc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000237226815 942603837 /nfs/dbraw/zinc/60/38/37/942603837.db2.gz RCJZLAISMZGGQV-UHFFFAOYSA-N 0 3 366.421 3.602 20 5 FHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421709793 942763378 /nfs/dbraw/zinc/76/33/78/942763378.db2.gz HFYTVYLCXNEPHS-OAHLLOKOSA-N 0 3 365.499 3.653 20 5 FHBDHN COc1cc(CNC[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000237260689 942768599 /nfs/dbraw/zinc/76/85/99/942768599.db2.gz HFLOWSVXRWVKED-NSHDSACASA-N 0 3 366.801 3.520 20 5 FHBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000421700058 942771473 /nfs/dbraw/zinc/77/14/73/942771473.db2.gz CXWKRUWYAMXCJS-INIZCTEOSA-N 0 3 369.421 3.553 20 5 FHBDHN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505602931 943150852 /nfs/dbraw/zinc/15/08/52/943150852.db2.gz BERDRWWVQRXQCP-YVEFUNNKSA-N 0 3 361.829 3.669 20 5 FHBDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000435246088 943277495 /nfs/dbraw/zinc/27/74/95/943277495.db2.gz PLZOAJYXAJSPDO-HNNXBMFYSA-N 0 3 358.394 3.630 20 5 FHBDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000435246089 943277685 /nfs/dbraw/zinc/27/76/85/943277685.db2.gz PLZOAJYXAJSPDO-OAHLLOKOSA-N 0 3 358.394 3.630 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(OCCO)cc1)CCCC2 ZINC000417304178 943496731 /nfs/dbraw/zinc/49/67/31/943496731.db2.gz BRHGRQLTTZOMMY-FQEVSTJZSA-N 0 3 356.422 3.523 20 5 FHBDHN COc1ccc(CC2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000504537680 943661296 /nfs/dbraw/zinc/66/12/96/943661296.db2.gz BPNVJAXMQFQCOB-UHFFFAOYSA-N 0 3 370.449 3.937 20 5 FHBDHN CC(C)(C)CCN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436320159 943843488 /nfs/dbraw/zinc/84/34/88/943843488.db2.gz SLNXNAFUFLMWEB-UHFFFAOYSA-N 0 3 360.380 3.567 20 5 FHBDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425494129 944116181 /nfs/dbraw/zinc/11/61/81/944116181.db2.gz QCODDYKBYZFAOD-UKRRQHHQSA-N 0 3 357.248 3.795 20 5 FHBDHN COc1ccc(-c2ccc(CNCCc3nc(C)oc3C)o2)c([N+](=O)[O-])c1 ZINC000500242245 944318993 /nfs/dbraw/zinc/31/89/93/944318993.db2.gz OGZAQEAOZWJGBD-UHFFFAOYSA-N 0 3 371.393 3.801 20 5 FHBDHN CCCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425990779 944547444 /nfs/dbraw/zinc/54/74/44/944547444.db2.gz OWJHZFGKOJVPLZ-UHFFFAOYSA-N 0 3 358.442 3.807 20 5 FHBDHN COCC[C@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000566708562 944659535 /nfs/dbraw/zinc/65/95/35/944659535.db2.gz NYUHHPXBPDKQFA-GFCCVEGCSA-N 0 3 368.817 3.649 20 5 FHBDHN Cc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278902 944774585 /nfs/dbraw/zinc/77/45/85/944774585.db2.gz CKSLUBVUUINLSC-QAPCUYQASA-N 0 3 368.437 3.860 20 5 FHBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000506296374 944836752 /nfs/dbraw/zinc/83/67/52/944836752.db2.gz YPUVOJVLWLMADB-OTIVFRFGSA-N 0 3 365.433 3.959 20 5 FHBDHN O=[N+]([O-])c1cc(CN(CCO)C2CCC2)ccc1Oc1ccc(F)cc1 ZINC000439765160 944947740 /nfs/dbraw/zinc/94/77/40/944947740.db2.gz DZZAIYZTAWSHLH-UHFFFAOYSA-N 0 3 360.385 3.873 20 5 FHBDHN COc1cc(CN2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000506675122 944966812 /nfs/dbraw/zinc/96/68/12/944966812.db2.gz KDNYQBCNHDWICG-QGZVFWFLSA-N 0 3 356.422 3.819 20 5 FHBDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000516583916 945037239 /nfs/dbraw/zinc/03/72/39/945037239.db2.gz LVRJOPOARJVIGH-RNIPGJKVSA-N 0 3 370.453 3.566 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516593746 945056036 /nfs/dbraw/zinc/05/60/36/945056036.db2.gz OGFFDDHMQVIXOR-RHSMWYFYSA-N 0 3 354.410 3.552 20 5 FHBDHN CC1(C)CCCN(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000444016773 945727112 /nfs/dbraw/zinc/72/71/12/945727112.db2.gz NEBATJBCVRDYBZ-UHFFFAOYSA-N 0 3 374.510 3.930 20 5 FHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)c1ccccc1 ZINC000519898530 945848418 /nfs/dbraw/zinc/84/84/18/945848418.db2.gz ZAOWFSCBQKFQSI-HNNXBMFYSA-N 0 3 373.478 3.670 20 5 FHBDHN Cc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000018898864 946264642 /nfs/dbraw/zinc/26/46/42/946264642.db2.gz VUMDTINFACLIOW-UHFFFAOYSA-N 0 3 362.433 3.774 20 5 FHBDHN Cc1cccnc1[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000112657506 946919952 /nfs/dbraw/zinc/91/99/52/946919952.db2.gz KIQZLLYREZLZBV-IBGZPJMESA-N 0 3 370.453 3.922 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000523862235 947672819 /nfs/dbraw/zinc/67/28/19/947672819.db2.gz MMHYPMCRDPELPF-KRWDZBQOSA-N 0 3 373.428 3.891 20 5 FHBDHN COC(=O)COc1ccc(CN[C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000473986673 947893423 /nfs/dbraw/zinc/89/34/23/947893423.db2.gz KONZBWOFOQREMD-HNNXBMFYSA-N 0 3 372.421 3.614 20 5 FHBDHN CN(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000432332394 948119130 /nfs/dbraw/zinc/11/91/30/948119130.db2.gz XKNPXECQBXIEDI-GOSISDBHSA-N 0 3 354.385 3.997 20 5 FHBDHN CCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000109869032 206065193 /nfs/dbraw/zinc/06/51/93/206065193.db2.gz QAUGERBXIOWEIT-MRXNPFEDSA-N 0 3 355.438 3.877 20 5 FHBDHN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)c2ncccc12 ZINC000029871596 132374285 /nfs/dbraw/zinc/37/42/85/132374285.db2.gz UIYDIBOIMHSZRZ-UHFFFAOYSA-N 0 3 362.433 3.508 20 5 FHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCc1cn2c(n1)SCC2 ZINC000290932482 567823740 /nfs/dbraw/zinc/82/37/40/567823740.db2.gz SFTGZQZLMZNXBZ-UHFFFAOYSA-N 0 3 373.265 3.536 20 5 FHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2cnn(C)c2)s1 ZINC000517911423 567909612 /nfs/dbraw/zinc/90/96/12/567909612.db2.gz WWGKFWSYJHTVAH-UHFFFAOYSA-N 0 3 356.451 3.731 20 5 FHBDHN Cc1c([C@@H](C)NCCc2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000482030486 568232876 /nfs/dbraw/zinc/23/28/76/568232876.db2.gz GBSDKKDBMVHOIK-MRXNPFEDSA-N 0 3 350.422 3.982 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000541931845 568251764 /nfs/dbraw/zinc/25/17/64/568251764.db2.gz CSZAXYFAGQTOPU-KRWDZBQOSA-N 0 3 354.454 3.707 20 5 FHBDHN CC(C)Oc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000569735413 568414920 /nfs/dbraw/zinc/41/49/20/568414920.db2.gz XPNHLRDSDVTUDO-FQEVSTJZSA-N 0 3 357.454 3.775 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](COC(F)F)C3)o2)c1 ZINC000570128342 568453007 /nfs/dbraw/zinc/45/30/07/568453007.db2.gz FVAVFJRLWVRBCJ-LBPRGKRZSA-N 0 3 352.337 3.916 20 5 FHBDHN CCOc1ccc([C@H](C)NCC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470865 568482713 /nfs/dbraw/zinc/48/27/13/568482713.db2.gz OWXIASUAULSRBU-GOEBONIOSA-N 0 3 372.421 3.874 20 5 FHBDHN CCC[C@@H](NCc1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178742824 936355637 /nfs/dbraw/zinc/35/56/37/936355637.db2.gz HJMLBUYONGTCGK-LJQANCHMSA-N 0 3 351.410 3.807 20 5 FHBDHN CC[C@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000153936643 927574169 /nfs/dbraw/zinc/57/41/69/927574169.db2.gz CRDSXNAJGRSEKI-FQEVSTJZSA-N 0 3 367.449 3.958 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000430209131 928091042 /nfs/dbraw/zinc/09/10/42/928091042.db2.gz XASVUWOPBIRQPC-KRWDZBQOSA-N 0 3 366.421 3.618 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000430233340 928358046 /nfs/dbraw/zinc/35/80/46/928358046.db2.gz PXUAALYPJGTKPX-UHFFFAOYSA-N 0 3 370.453 3.516 20 5 FHBDHN Cc1c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000052314986 937389047 /nfs/dbraw/zinc/38/90/47/937389047.db2.gz WEXZUPQAEISUCY-KRWDZBQOSA-N 0 3 353.422 3.754 20 5 FHBDHN COc1ccc(OCCN2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000610390100 930302146 /nfs/dbraw/zinc/30/21/46/930302146.db2.gz GNVWJDCVEADUAQ-QGZVFWFLSA-N 0 3 358.394 3.525 20 5 FHBDHN Cc1ccc([C@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000177993484 931988573 /nfs/dbraw/zinc/98/85/73/931988573.db2.gz LBNRFXDUYKXYQU-INIZCTEOSA-N 0 3 367.449 3.876 20 5 FHBDHN COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000610511552 932280346 /nfs/dbraw/zinc/28/03/46/932280346.db2.gz ANEFMTBRLXUIOY-PWSUYJOCSA-N 0 3 362.348 3.767 20 5 FHBDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661744 932837361 /nfs/dbraw/zinc/83/73/61/932837361.db2.gz HOIXBUXLJMBWCL-GDBMZVCRSA-N 0 3 363.458 3.515 20 5 FHBDHN CN1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247417991 932955576 /nfs/dbraw/zinc/95/55/76/932955576.db2.gz NSYJPQLMDXVSIR-NHYWBVRUSA-N 0 3 365.480 3.531 20 5 FHBDHN Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(CN(C)C)c1 ZINC000535694308 934271043 /nfs/dbraw/zinc/27/10/43/934271043.db2.gz ZBGDJTDMCRYBME-UHFFFAOYSA-N 0 3 352.394 3.698 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COc1c(C)cccc1C ZINC000610804506 934439831 /nfs/dbraw/zinc/43/98/31/934439831.db2.gz TUDIZHXYQNGPPG-FUHWJXTLSA-N 0 3 358.438 3.611 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COc1c(C)cccc1C ZINC000610804508 934439897 /nfs/dbraw/zinc/43/98/97/934439897.db2.gz TUDIZHXYQNGPPG-WMZOPIPTSA-N 0 3 358.438 3.611 20 5 FHBDHN COC(=O)CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611255398 934833491 /nfs/dbraw/zinc/83/34/91/934833491.db2.gz VRMWYGQQWNLLAL-XFFZJAGNSA-N 0 3 354.406 3.673 20 5 FHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(F)c1 ZINC000024107874 934946968 /nfs/dbraw/zinc/94/69/68/934946968.db2.gz ZHMBVXSKKZDFJH-IBGZPJMESA-N 0 3 354.385 3.997 20 5 FHBDHN Cc1cnc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277489362 935313110 /nfs/dbraw/zinc/31/31/10/935313110.db2.gz RAVWFWXZUMNHCL-UHFFFAOYSA-N 0 3 374.466 3.568 20 5 FHBDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921278 935332786 /nfs/dbraw/zinc/33/27/86/935332786.db2.gz RLSQZICCPBASSZ-HZMBPMFUSA-N 0 3 369.849 3.511 20 5 FHBDHN Cn1cc(CN2CC3(CCC3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582273239 935477920 /nfs/dbraw/zinc/47/79/20/935477920.db2.gz GTFQFAFUGCEXFZ-LJQANCHMSA-N 0 3 352.438 3.760 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCc2nc(-c3ccncc3)cs2)c(F)c1 ZINC000478214943 935593529 /nfs/dbraw/zinc/59/35/29/935593529.db2.gz YUJZSDGAJWJQQY-UHFFFAOYSA-N 0 3 358.398 3.585 20 5 FHBDHN Cc1c(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000507293691 945111088 /nfs/dbraw/zinc/11/10/88/945111088.db2.gz SVLCQBZOYLCRCN-UHFFFAOYSA-N 0 3 371.412 3.893 20 5 FHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479868806 935909974 /nfs/dbraw/zinc/90/99/74/935909974.db2.gz UOSUBCIGOHOIEH-CQSZACIVSA-N 0 3 365.355 3.982 20 5 FHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121919889 936094552 /nfs/dbraw/zinc/09/45/52/936094552.db2.gz QMMILNRJTWTHNC-ICSRJNTNSA-N 0 3 365.433 3.660 20 5 FHBDHN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000472262306 936140847 /nfs/dbraw/zinc/14/08/47/936140847.db2.gz URDGWTCBDNHDDW-KXBFYZLASA-N 0 3 367.449 3.709 20 5 FHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000584143116 938616099 /nfs/dbraw/zinc/61/60/99/938616099.db2.gz KJRIEHRGCGKKCU-OAHLLOKOSA-N 0 3 370.453 3.799 20 5 FHBDHN CCN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000018057052 945192469 /nfs/dbraw/zinc/19/24/69/945192469.db2.gz DQTRGODBPNISOC-UHFFFAOYSA-N 0 3 353.422 3.722 20 5 FHBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000584255390 938661609 /nfs/dbraw/zinc/66/16/09/938661609.db2.gz HIXDAGMXKCGRCS-UHFFFAOYSA-N 0 3 369.421 3.597 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000085637521 938836591 /nfs/dbraw/zinc/83/65/91/938836591.db2.gz NYBVLFJEBRVWTQ-UHFFFAOYSA-N 0 3 362.474 3.797 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2sccc2[C@@H]1C ZINC000150260360 938963715 /nfs/dbraw/zinc/96/37/15/938963715.db2.gz WLNQJLIOLHFILN-ZDUSSCGKSA-N 0 3 359.451 3.913 20 5 FHBDHN Cc1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000480561238 938989621 /nfs/dbraw/zinc/98/96/21/938989621.db2.gz YVZROPMKRSXYBP-UHFFFAOYSA-N 0 3 358.364 3.515 20 5 FHBDHN COc1cc(CN[C@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611935390 938993079 /nfs/dbraw/zinc/99/30/79/938993079.db2.gz WSNUEBSUFQDRGH-LJQANCHMSA-N 0 3 369.465 3.920 20 5 FHBDHN CN(C)CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000065746062 939021790 /nfs/dbraw/zinc/02/17/90/939021790.db2.gz PNEMTWKFTQXALM-UHFFFAOYSA-N 0 3 374.485 3.506 20 5 FHBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC000310053708 939113734 /nfs/dbraw/zinc/11/37/34/939113734.db2.gz RQJPVVXGOHHOLD-ZDUSSCGKSA-N 0 3 355.460 3.536 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCCc2nc(-c3ccc(F)cc3)no2)c(F)c1 ZINC000612192008 939222772 /nfs/dbraw/zinc/22/27/72/939222772.db2.gz HZNKHKZVKMFEDF-UHFFFAOYSA-N 0 3 374.347 3.645 20 5 FHBDHN Cc1c(CN2CCC(C(=O)NC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000065964328 940121763 /nfs/dbraw/zinc/12/17/63/940121763.db2.gz JETWPHNQBKAABA-UHFFFAOYSA-N 0 3 359.470 3.564 20 5 FHBDHN CC(C)CCSc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000612578579 940159251 /nfs/dbraw/zinc/15/92/51/940159251.db2.gz YEDFYCUYNGQFFY-UHFFFAOYSA-N 0 3 365.499 3.559 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507599571 945361021 /nfs/dbraw/zinc/36/10/21/945361021.db2.gz KEQHJNHRKBQJSG-XJKSGUPXSA-N 0 3 373.840 3.814 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000414321511 940961755 /nfs/dbraw/zinc/96/17/55/940961755.db2.gz FDEVSZVQKJRVFD-DZGCQCFKSA-N 0 3 358.467 3.825 20 5 FHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186328599 940977746 /nfs/dbraw/zinc/97/77/46/940977746.db2.gz YQOAZGJTQMBPQG-LJQANCHMSA-N 0 3 367.449 3.640 20 5 FHBDHN C[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402647 940999847 /nfs/dbraw/zinc/99/98/47/940999847.db2.gz CXSUHBHAPUYTML-QRWLVFNGSA-N 0 3 366.417 3.839 20 5 FHBDHN CC(=O)N1CCC(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180478696 941026116 /nfs/dbraw/zinc/02/61/16/941026116.db2.gz GSPHNPYLXYZTAJ-OAQYLSRUSA-N 0 3 367.449 3.532 20 5 FHBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511507695 941033874 /nfs/dbraw/zinc/03/38/74/941033874.db2.gz QXOIJGQPDCJCQZ-XPAKDJPHSA-N 0 3 359.470 3.625 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(Cc3ccccn3)C3CC3)o2)c1 ZINC000180857418 941085901 /nfs/dbraw/zinc/08/59/01/941085901.db2.gz MSLVPRLWOLUSBE-UHFFFAOYSA-N 0 3 364.405 3.852 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000452085041 941089079 /nfs/dbraw/zinc/08/90/79/941089079.db2.gz LOJHZGGBTHBKKY-ZIAGYGMSSA-N 0 3 357.410 3.590 20 5 FHBDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)cc([N+](=O)[O-])c1C ZINC000188946160 941132849 /nfs/dbraw/zinc/13/28/49/941132849.db2.gz SZHQWRJAWLITLZ-UHFFFAOYSA-N 0 3 357.410 3.534 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCO[C@@H](CF)C3)s2)cc1 ZINC000414479633 941330375 /nfs/dbraw/zinc/33/03/75/941330375.db2.gz SGJSNIHQMJBGKV-HNNXBMFYSA-N 0 3 350.415 3.884 20 5 FHBDHN CC(C)c1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414552498 941377888 /nfs/dbraw/zinc/37/78/88/941377888.db2.gz QICGTHPDWDGWRR-KRWDZBQOSA-N 0 3 359.470 3.695 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000182720533 941961805 /nfs/dbraw/zinc/96/18/05/941961805.db2.gz PXGZTSPJTVGPAK-CVEARBPZSA-N 0 3 361.486 3.837 20 5 FHBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413568029 942361136 /nfs/dbraw/zinc/36/11/36/942361136.db2.gz CJMIBBQVQHLXNI-ZWKOTPCHSA-N 0 3 353.422 3.707 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336328 942500983 /nfs/dbraw/zinc/50/09/83/942500983.db2.gz OUTZBJHDDDJGNL-VIBAHUMZSA-N 0 3 371.437 3.537 20 5 FHBDHN COc1ccc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104700304 942597272 /nfs/dbraw/zinc/59/72/72/942597272.db2.gz BQGLAIRVZBOIKQ-HXUWFJFHSA-N 0 3 369.421 3.673 20 5 FHBDHN CN(C(=O)CN[C@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104698449 942597396 /nfs/dbraw/zinc/59/73/96/942597396.db2.gz SFKKUENSIWIOGG-HXUWFJFHSA-N 0 3 353.422 3.689 20 5 FHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710393 942763921 /nfs/dbraw/zinc/76/39/21/942763921.db2.gz KITKEZZZVKZVSW-HNNXBMFYSA-N 0 3 365.499 3.509 20 5 FHBDHN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000505574829 943062899 /nfs/dbraw/zinc/06/28/99/943062899.db2.gz LUULZZUTCKPPDD-BEFAXECRSA-N 0 3 369.465 3.680 20 5 FHBDHN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)N(C)C ZINC000505607625 943165930 /nfs/dbraw/zinc/16/59/30/943165930.db2.gz MNBRATZENQBPSM-YJYMSZOUSA-N 0 3 367.405 3.762 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000760016910 943185151 /nfs/dbraw/zinc/18/51/51/943185151.db2.gz KDIVMSZGJWCPCJ-QGZVFWFLSA-N 0 3 354.406 3.721 20 5 FHBDHN CN(C)Cc1ccc(-c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000417272152 943478902 /nfs/dbraw/zinc/47/89/02/943478902.db2.gz SUADEPUTCRDXOQ-ZWKOTPCHSA-N 0 3 364.405 3.978 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(-n3cncn3)c1)CCCC2 ZINC000417313118 943509104 /nfs/dbraw/zinc/50/91/04/943509104.db2.gz OTXUPTWEOMQHMW-HXUWFJFHSA-N 0 3 363.421 3.733 20 5 FHBDHN CNC(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417326846 943518151 /nfs/dbraw/zinc/51/81/51/943518151.db2.gz RSDNSEBFCDAPRN-LJQANCHMSA-N 0 3 353.422 3.512 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389988 943567189 /nfs/dbraw/zinc/56/71/89/943567189.db2.gz QEDBRSSUOVWECR-LPHOPBHVSA-N 0 3 361.392 3.613 20 5 FHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000584508952 943986304 /nfs/dbraw/zinc/98/63/04/943986304.db2.gz OSPORGWWDSKBJD-UHFFFAOYSA-N 0 3 353.850 3.503 20 5 FHBDHN CN(C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000436265778 944141463 /nfs/dbraw/zinc/14/14/63/944141463.db2.gz MSMAYRRGDNUJLJ-LLVKDONJSA-N 0 3 360.361 3.785 20 5 FHBDHN CN(C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000436273040 944171851 /nfs/dbraw/zinc/17/18/51/944171851.db2.gz IONCKTNNVTUVLG-CYBMUJFWSA-N 0 3 372.322 3.863 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000505786568 944171868 /nfs/dbraw/zinc/17/18/68/944171868.db2.gz CBDJXEPUHMOBMF-AWEZNQCLSA-N 0 3 365.499 3.559 20 5 FHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000515777043 944201378 /nfs/dbraw/zinc/20/13/78/944201378.db2.gz XPJPYRKPQPMDOC-UHFFFAOYSA-N 0 3 365.227 3.868 20 5 FHBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379409 944265587 /nfs/dbraw/zinc/26/55/87/944265587.db2.gz XUFMKORLGJIRLG-ICSRJNTNSA-N 0 3 374.437 3.511 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)Cc2ccc(F)cc2)o1 ZINC000500227408 944297481 /nfs/dbraw/zinc/29/74/81/944297481.db2.gz FRSOTACTILLQFD-INIZCTEOSA-N 0 3 370.380 3.687 20 5 FHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(F)c1 ZINC000105701091 944357198 /nfs/dbraw/zinc/35/71/98/944357198.db2.gz HTGAXHZGDUASSZ-GOSISDBHSA-N 0 3 354.385 3.997 20 5 FHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ccccc4)o3)CC2)n1 ZINC000425956525 944402301 /nfs/dbraw/zinc/40/23/01/944402301.db2.gz DPORAPUSZVYDIH-UHFFFAOYSA-N 0 3 352.394 3.888 20 5 FHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000505844004 944411948 /nfs/dbraw/zinc/41/19/48/944411948.db2.gz CRPOKQMRXVUZMK-WIMDODNTSA-N 0 3 368.433 3.512 20 5 FHBDHN O=C(Nc1ccccc1)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000506296373 944836887 /nfs/dbraw/zinc/83/68/87/944836887.db2.gz YPUVOJVLWLMADB-KKMIYCERSA-N 0 3 365.433 3.959 20 5 FHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(F)cccc21 ZINC000437081538 944997665 /nfs/dbraw/zinc/99/76/65/944997665.db2.gz YBWMTETZBRRZRG-YVEFUNNKSA-N 0 3 373.384 3.564 20 5 FHBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190429914 945544168 /nfs/dbraw/zinc/54/41/68/945544168.db2.gz NUDRTYALZLBLJK-HKUYNNGSSA-N 0 3 372.469 3.945 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000048050854 946484890 /nfs/dbraw/zinc/48/48/90/946484890.db2.gz GAXSLBPGUXMXKQ-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN Cc1c([C@@H](C)NCc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000178445270 946561881 /nfs/dbraw/zinc/56/18/81/946561881.db2.gz OCZCDLYBTNSOGQ-OAHLLOKOSA-N 0 3 353.422 3.881 20 5 FHBDHN CC(=O)c1cc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000323980183 946749661 /nfs/dbraw/zinc/74/96/61/946749661.db2.gz DZPJGXLPJUNCAO-MRXNPFEDSA-N 0 3 367.449 3.756 20 5 FHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000444613297 947040089 /nfs/dbraw/zinc/04/00/89/947040089.db2.gz WDTOXCYNDNVCSJ-AWEZNQCLSA-N 0 3 368.437 3.933 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000428370904 947044658 /nfs/dbraw/zinc/04/46/58/947044658.db2.gz CEYZROSQPLWZML-SFHVURJKSA-N 0 3 374.824 3.997 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(F)cc(F)c1 ZINC000444698957 947122874 /nfs/dbraw/zinc/12/28/74/947122874.db2.gz DKUJDXAYLOWPGC-UHFFFAOYSA-N 0 3 363.364 3.642 20 5 FHBDHN Cc1c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000074448268 947171164 /nfs/dbraw/zinc/17/11/64/947171164.db2.gz WYCFXMPJSDSISO-SFHVURJKSA-N 0 3 367.449 3.640 20 5 FHBDHN CC1(C)C[C@H](NCc2ccc(NC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000278971706 948354101 /nfs/dbraw/zinc/35/41/01/948354101.db2.gz CCEGSGJGOVFGAO-KRWDZBQOSA-N 0 3 354.410 3.598 20 5 FHBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Cl)cc1 ZINC000481401841 567892223 /nfs/dbraw/zinc/89/22/23/567892223.db2.gz JHPDJQQJDXBBSX-KRWDZBQOSA-N 0 3 373.840 3.798 20 5 FHBDHN COCC1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602689416 568011792 /nfs/dbraw/zinc/01/17/92/568011792.db2.gz HJLZCIKDYLAOPF-UHFFFAOYSA-N 0 3 363.277 3.714 20 5 FHBDHN Cc1c(CC(=O)N(CCN2CCCCCC2)C2CCC2)cccc1[N+](=O)[O-] ZINC000568905893 568251779 /nfs/dbraw/zinc/25/17/79/568251779.db2.gz CZEMUQAWQAXRIR-UHFFFAOYSA-N 0 3 373.497 3.703 20 5 FHBDHN C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN(Cc2ccccc2)C1 ZINC000584723877 568554785 /nfs/dbraw/zinc/55/47/85/568554785.db2.gz PHANVOUKRMEFRC-LJQANCHMSA-N 0 3 372.400 3.520 20 5 FHBDHN Cc1ccccc1C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466898761 928750156 /nfs/dbraw/zinc/75/01/56/928750156.db2.gz BHKPSNZALFLGPG-GOSISDBHSA-N 0 3 366.417 3.856 20 5 FHBDHN Cc1cc(F)cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000176683495 937370943 /nfs/dbraw/zinc/37/09/43/937370943.db2.gz IYEZKKZRIOHVPW-SFHVURJKSA-N 0 3 371.412 3.609 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)cc1 ZINC000175876803 930143374 /nfs/dbraw/zinc/14/33/74/930143374.db2.gz QAVBQYGVRVWDEV-MRXNPFEDSA-N 0 3 361.829 3.589 20 5 FHBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C ZINC000275754788 930155893 /nfs/dbraw/zinc/15/58/93/930155893.db2.gz JQQYDDBAJCRGHN-ZBFHGGJFSA-N 0 3 363.461 3.648 20 5 FHBDHN CCc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471539398 930246756 /nfs/dbraw/zinc/24/67/56/930246756.db2.gz KWHGODVGZADNJS-AUUYWEPGSA-N 0 3 355.438 3.578 20 5 FHBDHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000537029289 930773400 /nfs/dbraw/zinc/77/34/00/930773400.db2.gz OKTLWQXIHNDDLQ-KRWDZBQOSA-N 0 3 373.840 3.878 20 5 FHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798237 931156346 /nfs/dbraw/zinc/15/63/46/931156346.db2.gz YSKDRWWMIIMHJG-QRWLVFNGSA-N 0 3 358.413 3.722 20 5 FHBDHN CCC[C@H](NCc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177905291 931545659 /nfs/dbraw/zinc/54/56/59/931545659.db2.gz MAJNAXPZXPULJX-SFHVURJKSA-N 0 3 351.410 3.807 20 5 FHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610475799 931545858 /nfs/dbraw/zinc/54/58/58/931545858.db2.gz MMWCBRGZDNFWCR-MRXNPFEDSA-N 0 3 368.437 3.723 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178043223 932217040 /nfs/dbraw/zinc/21/70/40/932217040.db2.gz VQJBPLNAMOLDAQ-IAGOWNOFSA-N 0 3 367.449 3.798 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1C ZINC000276398111 932339327 /nfs/dbraw/zinc/33/93/27/932339327.db2.gz JZKZWJXQYJKLLN-YOEHRIQHSA-N 0 3 365.429 3.577 20 5 FHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929659 934626427 /nfs/dbraw/zinc/62/64/27/934626427.db2.gz BSNQCGFOYWDDRC-CQSZACIVSA-N 0 3 360.845 3.744 20 5 FHBDHN CC[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492146 934809089 /nfs/dbraw/zinc/80/90/89/934809089.db2.gz WNYNOZNDTYMQPX-LEWJYISDSA-N 0 3 369.465 3.537 20 5 FHBDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000119460935 934817641 /nfs/dbraw/zinc/81/76/41/934817641.db2.gz PGYYHNGMHGWJPP-CQSZACIVSA-N 0 3 371.466 3.916 20 5 FHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157755964 935179936 /nfs/dbraw/zinc/17/99/36/935179936.db2.gz GUYDFZHARJYXJK-CYBMUJFWSA-N 0 3 373.457 3.534 20 5 FHBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511080213 935314733 /nfs/dbraw/zinc/31/47/33/935314733.db2.gz HUGVMLURDGMEDP-AWEZNQCLSA-N 0 3 368.359 3.690 20 5 FHBDHN C[C@@]12CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360162 935365870 /nfs/dbraw/zinc/36/58/70/935365870.db2.gz DYLKNTMABTYLIE-QIJLZVCCSA-N 0 3 351.406 3.894 20 5 FHBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@H]1C ZINC000478562590 935646648 /nfs/dbraw/zinc/64/66/48/935646648.db2.gz PJNGRHXKPICJBV-CHWSQXEVSA-N 0 3 361.467 3.802 20 5 FHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000511125780 935706006 /nfs/dbraw/zinc/70/60/06/935706006.db2.gz WTZCVALRXIEGFS-UHFFFAOYSA-N 0 3 362.813 3.694 20 5 FHBDHN COc1cc(C[NH2+]CC2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000509573508 945124800 /nfs/dbraw/zinc/12/48/00/945124800.db2.gz VFSBJVNXKFCORD-UHFFFAOYSA-N 0 3 356.422 3.911 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000479562354 935857915 /nfs/dbraw/zinc/85/79/15/935857915.db2.gz KAUZTTCKJAIZQR-UHFFFAOYSA-N 0 3 362.474 3.941 20 5 FHBDHN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000245524303 938302698 /nfs/dbraw/zinc/30/26/98/938302698.db2.gz NJOSELNDUSCYDR-RHSMWYFYSA-N 0 3 357.458 3.585 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(F)cc1 ZINC000583888332 938467553 /nfs/dbraw/zinc/46/75/53/938467553.db2.gz IDYCSYZOSGKQGG-JKSUJKDBSA-N 0 3 364.442 3.928 20 5 FHBDHN O=[N+]([O-])c1cc(F)c(CNC2(Cc3ccccc3)CCOCC2)c(F)c1 ZINC000451945494 939048779 /nfs/dbraw/zinc/04/87/79/939048779.db2.gz UZCBTCWGQMKCAD-UHFFFAOYSA-N 0 3 362.376 3.755 20 5 FHBDHN CN(c1ccccc1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065956052 940107406 /nfs/dbraw/zinc/10/74/06/940107406.db2.gz LZRKKXZOROQVCJ-UHFFFAOYSA-N 0 3 355.438 3.574 20 5 FHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005603140 940116584 /nfs/dbraw/zinc/11/65/84/940116584.db2.gz SIECSGGEJJVNSS-UHFFFAOYSA-N 0 3 373.840 3.643 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOC[C@H]2CCCO2)c2ccccc2)c1 ZINC000180022257 940249984 /nfs/dbraw/zinc/24/99/84/940249984.db2.gz QTOJHNMSDJAKQO-RTWAWAEBSA-N 0 3 370.449 3.860 20 5 FHBDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782650911 940304112 /nfs/dbraw/zinc/30/41/12/940304112.db2.gz JMTUOMJJRHURTG-LLVKDONJSA-N 0 3 367.755 3.753 20 5 FHBDHN C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402681 940999742 /nfs/dbraw/zinc/99/97/42/940999742.db2.gz CXSUHBHAPUYTML-FOIQADDNSA-N 0 3 366.417 3.839 20 5 FHBDHN CC(C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393355 941003349 /nfs/dbraw/zinc/00/33/49/941003349.db2.gz QNVDRWPZZYSFBA-YJBOKZPZSA-N 0 3 358.438 3.809 20 5 FHBDHN CC(C)N(CCOCC(F)(F)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879400 941127691 /nfs/dbraw/zinc/12/76/91/941127691.db2.gz JWLSMZOTAAPDBI-UHFFFAOYSA-N 0 3 352.328 3.722 20 5 FHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000177755083 941149077 /nfs/dbraw/zinc/14/90/77/941149077.db2.gz PYVKGXAVEWLOFP-CVEARBPZSA-N 0 3 359.470 3.591 20 5 FHBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510473 941159537 /nfs/dbraw/zinc/15/95/37/941159537.db2.gz RNLBEVNBXPETGG-LSDHHAIUSA-N 0 3 371.890 3.841 20 5 FHBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595567 941213482 /nfs/dbraw/zinc/21/34/82/941213482.db2.gz DTZNRPCLCZHDIO-SMDDNHRTSA-N 0 3 366.767 3.821 20 5 FHBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000311925128 941652014 /nfs/dbraw/zinc/65/20/14/941652014.db2.gz FLDQYKRKBXMKBC-GUYCJALGSA-N 0 3 373.840 3.641 20 5 FHBDHN CCCCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182653184 941958287 /nfs/dbraw/zinc/95/82/87/941958287.db2.gz HUKLTLKTDKQJMH-MRXNPFEDSA-N 0 3 361.486 3.983 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@H](Cc3ccccc3)C3CC3)n2)c1 ZINC000181556032 941982827 /nfs/dbraw/zinc/98/28/27/941982827.db2.gz VXMXONRYISOGHE-GOSISDBHSA-N 0 3 364.405 3.756 20 5 FHBDHN O=C(c1cccc(CN2CCCCC2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000413486708 942239111 /nfs/dbraw/zinc/23/91/11/942239111.db2.gz YOFAMKUABBYWGW-UHFFFAOYSA-N 0 3 365.433 3.784 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000085635571 942251733 /nfs/dbraw/zinc/25/17/33/942251733.db2.gz FUAYVQSHIDHDKP-GOSISDBHSA-N 0 3 370.453 3.944 20 5 FHBDHN O=C(c1cccc(CN2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413112121 942308990 /nfs/dbraw/zinc/30/89/90/942308990.db2.gz UUHFJLZBIDBFNM-UHFFFAOYSA-N 0 3 365.433 3.784 20 5 FHBDHN CN1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000501354411 942429432 /nfs/dbraw/zinc/42/94/32/942429432.db2.gz KJIUWXLJCMKESE-UHFFFAOYSA-N 0 3 370.409 3.557 20 5 FHBDHN COc1ccc(CN2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000505274969 942440707 /nfs/dbraw/zinc/44/07/07/942440707.db2.gz WRPIMFBZBIQHBX-UHFFFAOYSA-N 0 3 369.465 3.620 20 5 FHBDHN O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104706346 942618471 /nfs/dbraw/zinc/61/84/71/942618471.db2.gz CXVVERISHGEVJZ-IBGZPJMESA-N 0 3 357.385 3.803 20 5 FHBDHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104706343 942619002 /nfs/dbraw/zinc/61/90/02/942619002.db2.gz CXVVERISHGEVJZ-LJQANCHMSA-N 0 3 357.385 3.803 20 5 FHBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000417346921 943526956 /nfs/dbraw/zinc/52/69/56/943526956.db2.gz GEYFQJIXPCRUHN-WCIQWLHISA-N 0 3 370.453 3.567 20 5 FHBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000417345353 943533450 /nfs/dbraw/zinc/53/34/50/943533450.db2.gz UCQOBYCKSSOMBK-LJQANCHMSA-N 0 3 371.412 3.521 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389989 943567351 /nfs/dbraw/zinc/56/73/51/943567351.db2.gz QEDBRSSUOVWECR-QFBILLFUSA-N 0 3 361.392 3.613 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1CCC(O)(c2cccnc2)CC1 ZINC000274415742 944165748 /nfs/dbraw/zinc/16/57/48/944165748.db2.gz JFSLLPYHNGZVJD-UHFFFAOYSA-N 0 3 361.829 3.563 20 5 FHBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376471 944245980 /nfs/dbraw/zinc/24/59/80/944245980.db2.gz HUWLGEYRIHQRQA-QUCCMNQESA-N 0 3 374.437 3.511 20 5 FHBDHN CCOc1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425559243 944340825 /nfs/dbraw/zinc/34/08/25/944340825.db2.gz ZCKQVAKROHQNFZ-IBGZPJMESA-N 0 3 360.454 3.775 20 5 FHBDHN CCOc1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425559244 944340868 /nfs/dbraw/zinc/34/08/68/944340868.db2.gz ZCKQVAKROHQNFZ-LJQANCHMSA-N 0 3 360.454 3.775 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846252 944444509 /nfs/dbraw/zinc/44/45/09/944444509.db2.gz VHOIUGLSQDCHDC-NVXWUHKLSA-N 0 3 359.470 3.735 20 5 FHBDHN CC1(C)CCC[C@@](O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000438350958 944514983 /nfs/dbraw/zinc/51/49/83/944514983.db2.gz ZIDFYDNJBWSKSB-KRWDZBQOSA-N 0 3 358.385 3.617 20 5 FHBDHN CCc1ccc([C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000843759033 944580010 /nfs/dbraw/zinc/58/00/10/944580010.db2.gz YUYDWJCIIZTHTM-GOSISDBHSA-N 0 3 373.428 3.637 20 5 FHBDHN COc1ccc(OCCN[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438622316 944855690 /nfs/dbraw/zinc/85/56/90/944855690.db2.gz GPZSLCDASOLYDM-GFCCVEGCSA-N 0 3 350.802 3.986 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN(CCO)C2CC2)cc1 ZINC000507109153 944959589 /nfs/dbraw/zinc/95/95/89/944959589.db2.gz BEMWMOFGKFUXJM-UHFFFAOYSA-N 0 3 362.813 3.997 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107071799 945480011 /nfs/dbraw/zinc/48/00/11/945480011.db2.gz OYAGAJWLVGMTJW-CABCVRRESA-N 0 3 371.437 3.898 20 5 FHBDHN C[C@@H]1C[C@H](c2ccccc2F)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544150606 945492062 /nfs/dbraw/zinc/49/20/62/945492062.db2.gz OMNWLJOAIPOXOK-SPYBWZPUSA-N 0 3 374.412 3.557 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129418049 945773175 /nfs/dbraw/zinc/77/31/75/945773175.db2.gz KDYSXAOTPKAZGO-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000143163020 945854216 /nfs/dbraw/zinc/85/42/16/945854216.db2.gz GBFDAEIZJFNKLA-LJQANCHMSA-N 0 3 367.449 3.779 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000475555473 946640076 /nfs/dbraw/zinc/64/00/76/946640076.db2.gz MTDGSHQPTJPARP-KRWDZBQOSA-N 0 3 370.453 3.506 20 5 FHBDHN CC[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123893991 946916621 /nfs/dbraw/zinc/91/66/21/946916621.db2.gz SJTQLMGVOAXEGO-IEBWSBKVSA-N 0 3 359.470 3.817 20 5 FHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000444678591 947103153 /nfs/dbraw/zinc/10/31/53/947103153.db2.gz ZLAZOJUVXMMVRJ-ZKTNFTSUSA-N 0 3 352.394 3.514 20 5 FHBDHN O=[N+]([O-])c1cccc2c(N3CCN(CCc4cccs4)CC3)ccnc21 ZINC000432327902 948083603 /nfs/dbraw/zinc/08/36/03/948083603.db2.gz UPNYFGNXCZVFEW-UHFFFAOYSA-N 0 3 368.462 3.569 20 5 FHBDHN Cc1ccc(CN2CCC[C@@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000574726285 948397728 /nfs/dbraw/zinc/39/77/28/948397728.db2.gz LWOQVCOCPNIPRH-QGZVFWFLSA-N 0 3 350.422 3.918 20 5 FHBDHN Cc1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000574726283 948397989 /nfs/dbraw/zinc/39/79/89/948397989.db2.gz LWOQVCOCPNIPRH-KRWDZBQOSA-N 0 3 350.422 3.918 20 5 FHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110193911 209319426 /nfs/dbraw/zinc/31/94/26/209319426.db2.gz ASEUFCRKNOMQML-UHFFFAOYSA-N 0 3 373.840 3.643 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000109288211 209302325 /nfs/dbraw/zinc/30/23/25/209302325.db2.gz CWCJAYFPHLYVPW-SFHVURJKSA-N 0 3 373.478 3.658 20 5 FHBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873103 568049578 /nfs/dbraw/zinc/04/95/78/568049578.db2.gz HVEWWEXITLBLRI-QRWLVFNGSA-N 0 3 355.438 3.579 20 5 FHBDHN CC1(C)C[C@H](NCc2ccc(-n3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279178571 568060576 /nfs/dbraw/zinc/06/05/76/568060576.db2.gz VKBHETOPBPPZFZ-IBGZPJMESA-N 0 3 363.421 3.688 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000481996425 568219132 /nfs/dbraw/zinc/21/91/32/568219132.db2.gz AEWNVKJYNQQTPL-NRFANRHFSA-N 0 3 366.465 3.791 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000482049260 568238713 /nfs/dbraw/zinc/23/87/13/568238713.db2.gz NJOJCQWZXRAOEB-INIZCTEOSA-N 0 3 362.474 3.563 20 5 FHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCNC2 ZINC000569095291 568281688 /nfs/dbraw/zinc/28/16/88/568281688.db2.gz SKDYOTBMFRTNCC-UHFFFAOYSA-N 0 3 357.435 3.605 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000569219204 568313375 /nfs/dbraw/zinc/31/33/75/568313375.db2.gz ZEPDPWKNXBVGNP-BTORSOPLSA-N 0 3 368.433 3.618 20 5 FHBDHN CC(C)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCN(C)CC1 ZINC000265095861 568375919 /nfs/dbraw/zinc/37/59/19/568375919.db2.gz FCIIEHCOYNUUPX-UHFFFAOYSA-N 0 3 359.426 3.533 20 5 FHBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164624682 719054709 /nfs/dbraw/zinc/05/47/09/719054709.db2.gz OUGUICJUVQIIQE-YJBOKZPZSA-N 0 3 372.856 3.744 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000061502562 936379021 /nfs/dbraw/zinc/37/90/21/936379021.db2.gz XIPMJCAHTSIWCM-LJQANCHMSA-N 0 3 371.412 3.609 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCN(C)CC2)c1 ZINC000610224361 928317709 /nfs/dbraw/zinc/31/77/09/928317709.db2.gz DRIKBRMADCKKIS-UHFFFAOYSA-N 0 3 353.422 3.644 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246892051 928334948 /nfs/dbraw/zinc/33/49/48/928334948.db2.gz BOQWALBPCAAMPH-GOEBONIOSA-N 0 3 351.410 3.578 20 5 FHBDHN COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000134794356 929274673 /nfs/dbraw/zinc/27/46/73/929274673.db2.gz QDKUIFOMHVCKBW-HKUYNNGSSA-N 0 3 374.412 3.831 20 5 FHBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000560628531 929933014 /nfs/dbraw/zinc/93/30/14/929933014.db2.gz FPDTUODDHFUJPQ-QGZVFWFLSA-N 0 3 369.465 3.957 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)n1 ZINC000580116737 930264344 /nfs/dbraw/zinc/26/43/44/930264344.db2.gz RVYLHZVJIPXJQO-SFHVURJKSA-N 0 3 358.442 3.800 20 5 FHBDHN CC(C)Oc1ccc([C@@H](CNCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000583403950 937412130 /nfs/dbraw/zinc/41/21/30/937412130.db2.gz ZCJLMZKJZSOGMH-HXUWFJFHSA-N 0 3 357.454 3.775 20 5 FHBDHN CSc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471556914 930494162 /nfs/dbraw/zinc/49/41/62/930494162.db2.gz SDUFLZYCOSSFED-FZKQIMNGSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000537604977 931054765 /nfs/dbraw/zinc/05/47/65/931054765.db2.gz JOGJVAOLNBAQCM-HXUWFJFHSA-N 0 3 353.422 3.683 20 5 FHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610475819 931545403 /nfs/dbraw/zinc/54/54/03/931545403.db2.gz VFRDQDONWGTXLJ-INIZCTEOSA-N 0 3 368.437 3.723 20 5 FHBDHN CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000537945512 932168847 /nfs/dbraw/zinc/16/88/47/932168847.db2.gz PNNAYERTTUOXTL-OFQRWUPVSA-N 0 3 357.458 3.898 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1C ZINC000276398062 932339462 /nfs/dbraw/zinc/33/94/62/932339462.db2.gz JZKZWJXQYJKLLN-PBHICJAKSA-N 0 3 365.429 3.577 20 5 FHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000477291022 932453278 /nfs/dbraw/zinc/45/32/78/932453278.db2.gz KIJVRZMKHXPDDH-INIZCTEOSA-N 0 3 361.829 3.589 20 5 FHBDHN CC(C)c1ccc(C(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561748690 933969427 /nfs/dbraw/zinc/96/94/27/933969427.db2.gz PATOJRWUUUFFPY-MPGHIAIKSA-N 0 3 359.470 3.521 20 5 FHBDHN COc1cc(CN(C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158064061 934416896 /nfs/dbraw/zinc/41/68/96/934416896.db2.gz ZVYCTSKXAACVEX-JTQLQIEISA-N 0 3 362.348 3.775 20 5 FHBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804509 934440181 /nfs/dbraw/zinc/44/01/81/934440181.db2.gz UXOMYWOVLMQCEG-DLBZAZTESA-N 0 3 358.438 3.611 20 5 FHBDHN C/C=C\C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472140775 935172157 /nfs/dbraw/zinc/17/21/57/935172157.db2.gz TYGOJQPGQAKNKI-ZZKXABKFSA-N 0 3 350.802 3.925 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000072064486 935264454 /nfs/dbraw/zinc/26/44/54/935264454.db2.gz PFMBYMXWGMQJRC-HXUWFJFHSA-N 0 3 367.449 3.779 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419495 935276107 /nfs/dbraw/zinc/27/61/07/935276107.db2.gz WVIUMGSEXBLMPW-HDMKZQKVSA-N 0 3 356.422 3.666 20 5 FHBDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921403 935332799 /nfs/dbraw/zinc/33/27/99/935332799.db2.gz RLSQZICCPBASSZ-YGRLFVJLSA-N 0 3 369.849 3.511 20 5 FHBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000277876536 936076339 /nfs/dbraw/zinc/07/63/39/936076339.db2.gz CEMMSPXKJWZFNY-CABCVRRESA-N 0 3 363.461 3.648 20 5 FHBDHN Cc1c(NC(=O)CCN2CCS[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246085418 938337629 /nfs/dbraw/zinc/33/76/29/938337629.db2.gz GBFOBFFVUKUUKD-SJORKVTESA-N 0 3 363.483 3.592 20 5 FHBDHN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000458771447 938553069 /nfs/dbraw/zinc/55/30/69/938553069.db2.gz MPSXXVAPPOSMPO-KHYOSLBOSA-N 0 3 370.453 3.646 20 5 FHBDHN C[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458771445 938553119 /nfs/dbraw/zinc/55/31/19/938553119.db2.gz MPSXXVAPPOSMPO-DOXZYTNZSA-N 0 3 370.453 3.646 20 5 FHBDHN CCC(CC)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179786586 939934774 /nfs/dbraw/zinc/93/47/74/939934774.db2.gz HMRKMCYTDZDBLL-IBGZPJMESA-N 0 3 355.438 3.961 20 5 FHBDHN CCOc1ccccc1NC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411476721 940047589 /nfs/dbraw/zinc/04/75/89/940047589.db2.gz QDIPYZHBJXJHKC-HNNXBMFYSA-N 0 3 371.437 3.981 20 5 FHBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)c2ccccc2)c([N+](=O)[O-])c1 ZINC000411883789 940154225 /nfs/dbraw/zinc/15/42/25/940154225.db2.gz DEOGCUALMHZLGA-INIZCTEOSA-N 0 3 357.410 3.673 20 5 FHBDHN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459157 940478221 /nfs/dbraw/zinc/47/82/21/940478221.db2.gz FDHPIHWMFOVECZ-DNVCBOLYSA-N 0 3 357.454 3.865 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(F)cc1F ZINC000066434591 940486866 /nfs/dbraw/zinc/48/68/66/940486866.db2.gz UZRLDUJTVAFCLZ-SFHVURJKSA-N 0 3 350.365 3.817 20 5 FHBDHN Cc1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000583114154 941059141 /nfs/dbraw/zinc/05/91/41/941059141.db2.gz XJHAUMFCFXYVIO-VURMDHGXSA-N 0 3 352.438 3.701 20 5 FHBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000511510332 941085800 /nfs/dbraw/zinc/08/58/00/941085800.db2.gz YDEDTDIDZXROQN-HNNXBMFYSA-N 0 3 360.410 3.864 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189717919 941267129 /nfs/dbraw/zinc/26/71/29/941267129.db2.gz DVNQTRJCFAOATO-VQIMIIECSA-N 0 3 368.437 3.779 20 5 FHBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccnc1 ZINC000414551463 941377555 /nfs/dbraw/zinc/37/75/55/941377555.db2.gz BGNBJBFGZCFMRO-UHFFFAOYSA-N 0 3 351.353 3.659 20 5 FHBDHN Cc1cccc(NC[C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000119198622 941873362 /nfs/dbraw/zinc/87/33/62/941873362.db2.gz QEUZSHBBGPBTQI-AWEZNQCLSA-N 0 3 360.845 3.886 20 5 FHBDHN Cc1cccc(C)c1OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513397326 941890691 /nfs/dbraw/zinc/89/06/91/941890691.db2.gz KIOQCDQIFIZIFE-FQEVSTJZSA-N 0 3 372.465 3.862 20 5 FHBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(CN2CCCCC2)c1 ZINC000412222867 941939562 /nfs/dbraw/zinc/93/95/62/941939562.db2.gz SNOPMZHQADTRQA-UHFFFAOYSA-N 0 3 367.449 3.553 20 5 FHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000517551428 941953392 /nfs/dbraw/zinc/95/33/92/941953392.db2.gz GLTWMXGZNVYLGC-LJQANCHMSA-N 0 3 374.437 3.894 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000182720514 941961944 /nfs/dbraw/zinc/96/19/44/941961944.db2.gz PXGZTSPJTVGPAK-HZPDHXFCSA-N 0 3 361.486 3.837 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](Cc3ccccc3)C3CC3)n2)c1 ZINC000181556011 941982896 /nfs/dbraw/zinc/98/28/96/941982896.db2.gz VXMXONRYISOGHE-SFHVURJKSA-N 0 3 364.405 3.756 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000085620744 942031337 /nfs/dbraw/zinc/03/13/37/942031337.db2.gz QIGAUCZQVLBEKF-KRWDZBQOSA-N 0 3 356.426 3.636 20 5 FHBDHN CO[C@]1(C)CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572642 942209747 /nfs/dbraw/zinc/20/97/47/942209747.db2.gz SCIMHMYOSYWRNW-SCLBCKFNSA-N 0 3 360.414 3.597 20 5 FHBDHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1Cc1ccccc1 ZINC000312024077 942284841 /nfs/dbraw/zinc/28/48/41/942284841.db2.gz WYOWHLKUPHVCRY-CJNGLKHVSA-N 0 3 373.840 3.641 20 5 FHBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)c(F)c1 ZINC000413098097 942285650 /nfs/dbraw/zinc/28/56/50/942285650.db2.gz DSCVPBZETSKMNB-GFCCVEGCSA-N 0 3 350.419 3.515 20 5 FHBDHN COc1cc(CN(C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590655 942567147 /nfs/dbraw/zinc/56/71/47/942567147.db2.gz PHZWKFLHWGATMX-DGCLKSJQSA-N 0 3 358.385 3.868 20 5 FHBDHN COc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104700299 942597111 /nfs/dbraw/zinc/59/71/11/942597111.db2.gz BQGLAIRVZBOIKQ-FQEVSTJZSA-N 0 3 369.421 3.673 20 5 FHBDHN CCOc1ccccc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000514124006 942769940 /nfs/dbraw/zinc/76/99/40/942769940.db2.gz FJCWRYMUJWNXBI-UHFFFAOYSA-N 0 3 371.437 3.763 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099230 942988443 /nfs/dbraw/zinc/98/84/43/942988443.db2.gz NOHWANYDTDSPQS-ZBFHGGJFSA-N 0 3 359.426 3.664 20 5 FHBDHN CCn1c(C)nc([N+](=O)[O-])c1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000425256584 943067387 /nfs/dbraw/zinc/06/73/87/943067387.db2.gz AIJOFEMLPFTGFK-MRXNPFEDSA-N 0 3 360.483 3.876 20 5 FHBDHN CC(=O)c1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425278792 943175578 /nfs/dbraw/zinc/17/55/78/943175578.db2.gz SZKCTQXNTLPQPZ-LAUBAEHRSA-N 0 3 365.433 3.508 20 5 FHBDHN CN(CCC1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425411301 943827501 /nfs/dbraw/zinc/82/75/01/943827501.db2.gz AJCRFAUOJZKWHD-UHFFFAOYSA-N 0 3 357.248 3.606 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504915376 943910973 /nfs/dbraw/zinc/91/09/73/943910973.db2.gz SRPPQRKKTIDXJM-QGZVFWFLSA-N 0 3 368.437 3.689 20 5 FHBDHN CCCCOc1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425968370 944444350 /nfs/dbraw/zinc/44/43/50/944444350.db2.gz RQPAAWYAOGMQGP-UHFFFAOYSA-N 0 3 358.442 3.807 20 5 FHBDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000516089525 944489203 /nfs/dbraw/zinc/48/92/03/944489203.db2.gz ZLOZJAANHIGERX-GOSISDBHSA-N 0 3 353.422 3.966 20 5 FHBDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000439276022 944497121 /nfs/dbraw/zinc/49/71/21/944497121.db2.gz PUWYOTZJLFGNKD-HXUWFJFHSA-N 0 3 358.438 3.767 20 5 FHBDHN CCCN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516216877 944599278 /nfs/dbraw/zinc/59/92/78/944599278.db2.gz XQGODVINDHWTSD-UHFFFAOYSA-N 0 3 360.195 3.574 20 5 FHBDHN CC(C)c1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000506311681 944883637 /nfs/dbraw/zinc/88/36/37/944883637.db2.gz XSNMDOLUVSJDDQ-UHFFFAOYSA-N 0 3 355.438 3.596 20 5 FHBDHN COc1cc(CNCCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000566822788 944906017 /nfs/dbraw/zinc/90/60/17/944906017.db2.gz CZAUHLCYXCJDEF-UHFFFAOYSA-N 0 3 373.434 3.554 20 5 FHBDHN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511762755 945052349 /nfs/dbraw/zinc/05/23/49/945052349.db2.gz OITFDMSKMRHOTP-SUMDDJOVSA-N 0 3 356.397 3.738 20 5 FHBDHN C[C@@H](O)[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706889 945479902 /nfs/dbraw/zinc/47/99/02/945479902.db2.gz ZXTWIPIRONIZAH-NVXWUHKLSA-N 0 3 355.438 3.565 20 5 FHBDHN Cc1ccc(Sc2ccc(CNCCC(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000237148865 945556905 /nfs/dbraw/zinc/55/69/05/945556905.db2.gz DJTHXWUVEXZELF-UHFFFAOYSA-N 0 3 373.478 3.622 20 5 FHBDHN CSc1cccc(C(=O)Nc2ccc(C)cc2CN(C)C)c1[N+](=O)[O-] ZINC000186509762 946441797 /nfs/dbraw/zinc/44/17/97/946441797.db2.gz MTPWIMTWNWBMLW-UHFFFAOYSA-N 0 3 359.451 3.939 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2C2(CC2)C1 ZINC000186181032 946585541 /nfs/dbraw/zinc/58/55/41/946585541.db2.gz METJMWNHVSWFPU-UHFFFAOYSA-N 0 3 365.433 3.779 20 5 FHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000444618591 947050833 /nfs/dbraw/zinc/05/08/33/947050833.db2.gz KOCDPSWDWUWMMF-UHFFFAOYSA-N 0 3 365.499 3.559 20 5 FHBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349245 947626327 /nfs/dbraw/zinc/62/63/27/947626327.db2.gz PWAHLHAPLKJGKW-XOBRGWDASA-N 0 3 373.453 3.917 20 5 FHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC3(CCOCC3)CC2)c1 ZINC000585767946 948279062 /nfs/dbraw/zinc/27/90/62/948279062.db2.gz JPYHCJYPNLSGES-UHFFFAOYSA-N 0 3 356.369 3.589 20 5 FHBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006502 208793109 /nfs/dbraw/zinc/79/31/09/208793109.db2.gz IVPUXJOXOXAWDZ-HXUWFJFHSA-N 0 3 367.449 3.798 20 5 FHBDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414149 567909386 /nfs/dbraw/zinc/90/93/86/567909386.db2.gz OEVMLQBTLVJKSX-DGCLKSJQSA-N 0 3 358.385 3.868 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000481436977 567941738 /nfs/dbraw/zinc/94/17/38/567941738.db2.gz GAZIHPPJSJHTAX-RDTXWAMCSA-N 0 3 356.426 3.716 20 5 FHBDHN Cc1c(CNC(=O)c2ccc(CN3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000481475159 567979121 /nfs/dbraw/zinc/97/91/21/567979121.db2.gz CMYBOALEWOMHHD-UHFFFAOYSA-N 0 3 367.449 3.819 20 5 FHBDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000568448369 568039235 /nfs/dbraw/zinc/03/92/35/568039235.db2.gz IOWMYBMINORMKJ-INIZCTEOSA-N 0 3 371.437 3.593 20 5 FHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000569519393 568404635 /nfs/dbraw/zinc/40/46/35/568404635.db2.gz VTIVINWYKFHTJT-HXUWFJFHSA-N 0 3 369.465 3.826 20 5 FHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000570515907 568483921 /nfs/dbraw/zinc/48/39/21/568483921.db2.gz YBKKZGQHTIJESL-MRXNPFEDSA-N 0 3 371.437 3.547 20 5 FHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](c1ccco1)N1CCCCC1 ZINC000570816819 568536360 /nfs/dbraw/zinc/53/63/60/568536360.db2.gz WFTAIRIBHRXUJO-PKOBYXMFSA-N 0 3 355.438 3.992 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000558698098 927558129 /nfs/dbraw/zinc/55/81/29/927558129.db2.gz NWJDUEPATQFRLP-WBVHZDCISA-N 0 3 368.437 3.860 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN(C4CCCC4)CC3)cs2)c1 ZINC000126958349 928323557 /nfs/dbraw/zinc/32/35/57/928323557.db2.gz CNQKICCCVPPPOT-UHFFFAOYSA-N 0 3 372.494 3.779 20 5 FHBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676361 929834544 /nfs/dbraw/zinc/83/45/44/929834544.db2.gz BTYXXPYWCKLNBV-VBKZILBWSA-N 0 3 363.461 3.506 20 5 FHBDHN COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459156 930700134 /nfs/dbraw/zinc/70/01/34/930700134.db2.gz FDHPIHWMFOVECZ-BEFAXECRSA-N 0 3 357.454 3.865 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000119248258 930951790 /nfs/dbraw/zinc/95/17/90/930951790.db2.gz HNVBQHIIKNNMJO-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160590238 930987915 /nfs/dbraw/zinc/98/79/15/930987915.db2.gz WFLOBTOBKOJLIZ-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000090942806 932914856 /nfs/dbraw/zinc/91/48/56/932914856.db2.gz QYFQUROLDPYIPP-OYYNGEPBSA-N 0 3 361.392 3.969 20 5 FHBDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000754868535 933162703 /nfs/dbraw/zinc/16/27/03/933162703.db2.gz KZIXDFWJIQOIEA-UHFFFAOYSA-N 0 3 354.834 3.944 20 5 FHBDHN Cc1cccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000247511401 934011393 /nfs/dbraw/zinc/01/13/93/934011393.db2.gz VSBRCUNWKOPXMR-RDTXWAMCSA-N 0 3 373.478 3.778 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000065208806 934667575 /nfs/dbraw/zinc/66/75/75/934667575.db2.gz JJSROFRJJIESAQ-SFHVURJKSA-N 0 3 370.405 3.582 20 5 FHBDHN CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255824 935118593 /nfs/dbraw/zinc/11/85/93/935118593.db2.gz QZFHCXWFQZBJEQ-RBUKOAKNSA-N 0 3 353.422 3.749 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419496 935276192 /nfs/dbraw/zinc/27/61/92/935276192.db2.gz WVIUMGSEXBLMPW-IIDMSEBBSA-N 0 3 356.422 3.666 20 5 FHBDHN O=C(c1ccccc1)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089600 935299303 /nfs/dbraw/zinc/29/93/03/935299303.db2.gz GJNNCMSJLFMPSG-SFHVURJKSA-N 0 3 365.433 3.500 20 5 FHBDHN COc1cc(CN(C)CC2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000127778218 935785277 /nfs/dbraw/zinc/78/52/77/935785277.db2.gz AFAAOHOSTHCHPM-UHFFFAOYSA-N 0 3 362.348 3.776 20 5 FHBDHN Cc1c(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000051855290 935953803 /nfs/dbraw/zinc/95/38/03/935953803.db2.gz RFPVCMKBQGQOMY-HNNXBMFYSA-N 0 3 351.410 3.677 20 5 FHBDHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000245524305 938302769 /nfs/dbraw/zinc/30/27/69/938302769.db2.gz NJOSELNDUSCYDR-WMLDXEAASA-N 0 3 357.458 3.585 20 5 FHBDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397639 938385903 /nfs/dbraw/zinc/38/59/03/938385903.db2.gz FKZLFHYFVNJVLB-YJYMSZOUSA-N 0 3 365.433 3.842 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750169 938520931 /nfs/dbraw/zinc/52/09/31/938520931.db2.gz BAQONVYFQOZPQF-ZQIUZPCESA-N 0 3 374.441 3.677 20 5 FHBDHN CC1(C)C[C@@H](NCc2cccnc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278600391 938574267 /nfs/dbraw/zinc/57/42/67/938574267.db2.gz AOTOVMYXQVBIFZ-GOSISDBHSA-N 0 3 363.421 3.688 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000480551239 938971431 /nfs/dbraw/zinc/97/14/31/938971431.db2.gz IFHSKJTWSXUFAX-UHFFFAOYSA-N 0 3 372.391 3.824 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)c2ccc(F)cc2)o1 ZINC000102420766 939018617 /nfs/dbraw/zinc/01/86/17/939018617.db2.gz TVYQBFLCXHPMKF-GOSISDBHSA-N 0 3 356.353 3.817 20 5 FHBDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC000310053707 939113822 /nfs/dbraw/zinc/11/38/22/939113822.db2.gz RQJPVVXGOHHOLD-CYBMUJFWSA-N 0 3 355.460 3.536 20 5 FHBDHN COC[C@@H](C)N(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000179373219 939126664 /nfs/dbraw/zinc/12/66/64/939126664.db2.gz LNQFQKIPFYVNBL-OAHLLOKOSA-N 0 3 374.437 3.649 20 5 FHBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000437344897 945273491 /nfs/dbraw/zinc/27/34/91/945273491.db2.gz HTFFWFMGDODDQK-KGLIPLIRSA-N 0 3 358.394 3.676 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC4(CCOCC4)CC3)o2)c1 ZINC000364238174 939915357 /nfs/dbraw/zinc/91/53/57/939915357.db2.gz QJSZOKSHCWISIB-UHFFFAOYSA-N 0 3 372.421 3.626 20 5 FHBDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411282504 940027428 /nfs/dbraw/zinc/02/74/28/940027428.db2.gz UZYLJCKTSRVQFR-LBPRGKRZSA-N 0 3 362.455 3.690 20 5 FHBDHN CCc1ccc([C@H](N[C@@H]2CCN(CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410057 940054439 /nfs/dbraw/zinc/05/44/39/940054439.db2.gz YCVUASLUDRINSX-DYESRHJHSA-N 0 3 369.465 3.914 20 5 FHBDHN CCOc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196606 940080206 /nfs/dbraw/zinc/08/02/06/940080206.db2.gz AYYLPXNPHYMJOE-YLJYHZDGSA-N 0 3 356.422 3.861 20 5 FHBDHN CC(C)(NCCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411757296 940113228 /nfs/dbraw/zinc/11/32/28/940113228.db2.gz KOWIEEFMKLNJKK-UHFFFAOYSA-N 0 3 363.364 3.727 20 5 FHBDHN CCC1(c2ccccc2)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000414154877 940687301 /nfs/dbraw/zinc/68/73/01/940687301.db2.gz LYYOMRAWZQWXSE-UHFFFAOYSA-N 0 3 353.422 3.587 20 5 FHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186330367 940978035 /nfs/dbraw/zinc/97/80/35/940978035.db2.gz XWMDBDTYEJRQDO-IBGZPJMESA-N 0 3 367.449 3.640 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)c1 ZINC000180456607 941023074 /nfs/dbraw/zinc/02/30/74/941023074.db2.gz JGGFWWAVYYRTRC-FUHWJXTLSA-N 0 3 360.435 3.561 20 5 FHBDHN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907606 941089908 /nfs/dbraw/zinc/08/99/08/941089908.db2.gz NMOAIRUXHABKGD-UKRRQHHQSA-N 0 3 373.478 3.983 20 5 FHBDHN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1c1cccnc1 ZINC000376738394 941398451 /nfs/dbraw/zinc/39/84/51/941398451.db2.gz DZMQRSRBDPAQOA-YWZLYKJASA-N 0 3 363.421 3.643 20 5 FHBDHN Cc1c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549230211 941681426 /nfs/dbraw/zinc/68/14/26/941681426.db2.gz LPTPKNHLEWETKR-MRXNPFEDSA-N 0 3 361.829 3.589 20 5 FHBDHN CCOC(=O)c1cc(NC[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000433728064 941858281 /nfs/dbraw/zinc/85/82/81/941858281.db2.gz KVOPMAREDVNCGM-OAHLLOKOSA-N 0 3 363.439 3.548 20 5 FHBDHN CCOC(=O)c1cc(NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000433728062 941858472 /nfs/dbraw/zinc/85/84/72/941858472.db2.gz KVOPMAREDVNCGM-HNNXBMFYSA-N 0 3 363.439 3.548 20 5 FHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501837480 942085718 /nfs/dbraw/zinc/08/57/18/942085718.db2.gz QKUUCAHPRGCJNR-SFHVURJKSA-N 0 3 354.410 3.553 20 5 FHBDHN COc1cc(CN(C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590653 942566961 /nfs/dbraw/zinc/56/69/61/942566961.db2.gz PHZWKFLHWGATMX-AAEUAGOBSA-N 0 3 358.385 3.868 20 5 FHBDHN CN(C(=O)CN[C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104698446 942597259 /nfs/dbraw/zinc/59/72/59/942597259.db2.gz SFKKUENSIWIOGG-FQEVSTJZSA-N 0 3 353.422 3.689 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000421491115 942605642 /nfs/dbraw/zinc/60/56/42/942605642.db2.gz NKFYXTXHWDWJBP-GOSISDBHSA-N 0 3 367.449 3.558 20 5 FHBDHN Cc1ccc(C[C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000513754950 942756291 /nfs/dbraw/zinc/75/62/91/942756291.db2.gz OOXJPNMTOZQJKJ-LJQANCHMSA-N 0 3 368.433 3.977 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](n4ccnn4)C3)s2)cc1 ZINC000425349004 943351998 /nfs/dbraw/zinc/35/19/98/943351998.db2.gz KAWXFSDBCAMHSY-INIZCTEOSA-N 0 3 369.450 3.752 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3(C4CC4)CCOCC3)cs2)c1 ZINC000364067861 943478105 /nfs/dbraw/zinc/47/81/05/943478105.db2.gz QABVEHOYOVMGBI-UHFFFAOYSA-N 0 3 359.451 3.767 20 5 FHBDHN NC(=O)Nc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320418 943513088 /nfs/dbraw/zinc/51/30/88/943513088.db2.gz JQMGXNVUDQKRAL-SFHVURJKSA-N 0 3 354.410 3.643 20 5 FHBDHN Cc1ccc([C@H](C)NCCNC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000424323591 943844361 /nfs/dbraw/zinc/84/43/61/943844361.db2.gz KVXMFTSXCHETKR-KRWDZBQOSA-N 0 3 369.465 3.693 20 5 FHBDHN CO[C@@](C)([C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425476998 944072831 /nfs/dbraw/zinc/07/28/31/944072831.db2.gz NUFZDTUUEOYHBE-BONVTDFDSA-N 0 3 357.248 3.651 20 5 FHBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000382118480 944180596 /nfs/dbraw/zinc/18/05/96/944180596.db2.gz WHPUQBONQMIPHN-UGSOOPFHSA-N 0 3 373.840 3.641 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@@H]1C ZINC000505788892 944183378 /nfs/dbraw/zinc/18/33/78/944183378.db2.gz YJWWMMSTDBYUIT-AWEZNQCLSA-N 0 3 365.499 3.701 20 5 FHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000515827661 944245918 /nfs/dbraw/zinc/24/59/18/944245918.db2.gz GLRFGDUQHFFPBA-UHFFFAOYSA-N 0 3 369.377 3.664 20 5 FHBDHN Cc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000140075974 944365389 /nfs/dbraw/zinc/36/53/89/944365389.db2.gz GGLNQLKCDTXGBW-OAHLLOKOSA-N 0 3 373.478 3.607 20 5 FHBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](C)C1 ZINC000506259770 944710957 /nfs/dbraw/zinc/71/09/57/944710957.db2.gz NLMPPJOUOJEGFP-OLZOCXBDSA-N 0 3 361.467 3.660 20 5 FHBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](C)C1 ZINC000506259772 944711428 /nfs/dbraw/zinc/71/14/28/944711428.db2.gz NLMPPJOUOJEGFP-STQMWFEESA-N 0 3 361.467 3.660 20 5 FHBDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947114 944787726 /nfs/dbraw/zinc/78/77/26/944787726.db2.gz SKDZJATXMVPWPX-WILYLXEWSA-N 0 3 373.840 3.871 20 5 FHBDHN O=C(Nc1ccccc1)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000506296375 944836500 /nfs/dbraw/zinc/83/65/00/944836500.db2.gz YPUVOJVLWLMADB-YOCVDRLZSA-N 0 3 365.433 3.959 20 5 FHBDHN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCOC1 ZINC000426505411 945008644 /nfs/dbraw/zinc/00/86/44/945008644.db2.gz WOXLMLONXCWVTG-INIZCTEOSA-N 0 3 362.451 3.561 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181745356 945635330 /nfs/dbraw/zinc/63/53/30/945635330.db2.gz HHLJUFBTEZPEBW-CABCVRRESA-N 0 3 351.410 3.896 20 5 FHBDHN COc1ccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000475451256 945990587 /nfs/dbraw/zinc/99/05/87/945990587.db2.gz IJFYHAAOIAWBLU-GOSISDBHSA-N 0 3 371.437 3.861 20 5 FHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(CN2CCCC2)c1 ZINC000186021230 946328144 /nfs/dbraw/zinc/32/81/44/946328144.db2.gz KKRBMAOLTQVACQ-UHFFFAOYSA-N 0 3 373.840 3.774 20 5 FHBDHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000074445746 947068359 /nfs/dbraw/zinc/06/83/59/947068359.db2.gz HUJHRCNQSSTSPJ-LJQANCHMSA-N 0 3 367.449 3.640 20 5 FHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000444678590 947102724 /nfs/dbraw/zinc/10/27/24/947102724.db2.gz ZLAZOJUVXMMVRJ-UYSIFFEZSA-N 0 3 352.394 3.514 20 5 FHBDHN COc1cccc(OC)c1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511959740 947168878 /nfs/dbraw/zinc/16/88/78/947168878.db2.gz GTDAEDHQDPMFNR-UHFFFAOYSA-N 0 3 350.802 3.598 20 5 FHBDHN O=[N+]([O-])c1cccc2c(NC[C@H](c3ccco3)N3CCCC3)ccnc21 ZINC000432320913 948029515 /nfs/dbraw/zinc/02/95/15/948029515.db2.gz CHSPSDIVHVEOCT-QGZVFWFLSA-N 0 3 352.394 3.985 20 5 FHBDHN COc1cccc([C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])N(C)C)c1 ZINC000432332532 948122886 /nfs/dbraw/zinc/12/28/86/948122886.db2.gz ZBUZAORTHIEVHJ-IBGZPJMESA-N 0 3 366.421 3.866 20 5 FHBDHN CC(C)c1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182088652 948634447 /nfs/dbraw/zinc/63/44/47/948634447.db2.gz SUMLCFRDLJJIJS-INIZCTEOSA-N 0 3 356.470 3.906 20 5 FHBDHN Cc1c([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000128524000 567829952 /nfs/dbraw/zinc/82/99/52/567829952.db2.gz UCNYLMMRRSVQPY-MRXNPFEDSA-N 0 3 367.449 3.876 20 5 FHBDHN C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000128582077 568033691 /nfs/dbraw/zinc/03/36/91/568033691.db2.gz PQDWPYZXKAGWPQ-OAHLLOKOSA-N 0 3 353.422 3.568 20 5 FHBDHN COc1cc(CN2CCCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000481597702 568064090 /nfs/dbraw/zinc/06/40/90/568064090.db2.gz MSCCPZOLAIHALC-GFCCVEGCSA-N 0 3 358.385 3.869 20 5 FHBDHN Cc1ccc(CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000603903677 568180636 /nfs/dbraw/zinc/18/06/36/568180636.db2.gz RYYPBGCLIAUJAA-HXUWFJFHSA-N 0 3 370.449 3.616 20 5 FHBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN(Cc3ccccc3)C2)nc2sccn21 ZINC000311913226 568203416 /nfs/dbraw/zinc/20/34/16/568203416.db2.gz HUKLHLWACPFCOU-OAHLLOKOSA-N 0 3 371.466 3.628 20 5 FHBDHN CC[C@@H](Cc1ccccc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128722958 568220041 /nfs/dbraw/zinc/22/00/41/568220041.db2.gz UKOJBHLLZIDETK-SFHVURJKSA-N 0 3 356.422 3.914 20 5 FHBDHN COc1cc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)ccc1[N+](=O)[O-] ZINC000541955073 568284855 /nfs/dbraw/zinc/28/48/55/568284855.db2.gz UYXAPFAPKZEANA-CQSZACIVSA-N 0 3 366.421 3.948 20 5 FHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cs1 ZINC000604557384 568314058 /nfs/dbraw/zinc/31/40/58/568314058.db2.gz ONBSHXGQTYAVQU-INIZCTEOSA-N 0 3 366.446 3.760 20 5 FHBDHN Cc1cnn([C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000569310222 568361649 /nfs/dbraw/zinc/36/16/49/568361649.db2.gz IKCZVYXOZXONMQ-KRWDZBQOSA-N 0 3 352.394 3.807 20 5 FHBDHN COc1ccc(-c2ccc(CNCC3([C@H](O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000569348172 568395753 /nfs/dbraw/zinc/39/57/53/568395753.db2.gz JPNLREHOKYMAIO-LJQANCHMSA-N 0 3 374.437 3.750 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000570673638 568494513 /nfs/dbraw/zinc/49/45/13/568494513.db2.gz DGVCNYOJRNEQIR-ZDUSSCGKSA-N 0 3 360.458 3.550 20 5 FHBDHN CCc1nc(C(C)C)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000559187846 928936709 /nfs/dbraw/zinc/93/67/09/928936709.db2.gz RACSNFRJUZCSFV-UHFFFAOYSA-N 0 3 357.458 3.709 20 5 FHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178861135 937339343 /nfs/dbraw/zinc/33/93/43/937339343.db2.gz XFJWCPBRMJZVMD-UHFFFAOYSA-N 0 3 373.840 3.643 20 5 FHBDHN CCCCOc1ncccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827125 931231199 /nfs/dbraw/zinc/23/11/99/931231199.db2.gz ICVRIHILJULVPG-IAGOWNOFSA-N 0 3 373.457 3.639 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000177934257 931633412 /nfs/dbraw/zinc/63/34/12/931633412.db2.gz OBLJUWDEKKJTNU-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000177993470 931990363 /nfs/dbraw/zinc/99/03/63/931990363.db2.gz LBNRFXDUYKXYQU-MRXNPFEDSA-N 0 3 367.449 3.876 20 5 FHBDHN COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000610511551 932280185 /nfs/dbraw/zinc/28/01/85/932280185.db2.gz ANEFMTBRLXUIOY-JQWIXIFHSA-N 0 3 362.348 3.767 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1C ZINC000276398078 932339402 /nfs/dbraw/zinc/33/94/02/932339402.db2.gz JZKZWJXQYJKLLN-RHSMWYFYSA-N 0 3 365.429 3.577 20 5 FHBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCCO1 ZINC000610717463 933930521 /nfs/dbraw/zinc/93/05/21/933930521.db2.gz WUZLOJGFDLATST-OAHLLOKOSA-N 0 3 358.385 3.881 20 5 FHBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804512 934439804 /nfs/dbraw/zinc/43/98/04/934439804.db2.gz UXOMYWOVLMQCEG-SJORKVTESA-N 0 3 358.438 3.611 20 5 FHBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444978 934809258 /nfs/dbraw/zinc/80/92/58/934809258.db2.gz HAZAGWBYGQFUIG-RHSMWYFYSA-N 0 3 371.437 3.980 20 5 FHBDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000119455023 934815357 /nfs/dbraw/zinc/81/53/57/934815357.db2.gz OKDITBLLZCSIKI-AWEZNQCLSA-N 0 3 371.466 3.916 20 5 FHBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084293514 934817669 /nfs/dbraw/zinc/81/76/69/934817669.db2.gz LNURCEKLQOALOJ-UHFFFAOYSA-N 0 3 362.455 3.560 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000071906180 934976786 /nfs/dbraw/zinc/97/67/86/934976786.db2.gz XPZKZNPPTDKJGZ-SFHVURJKSA-N 0 3 370.405 3.582 20 5 FHBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1OCc1ccccc1 ZINC000539334077 935176814 /nfs/dbraw/zinc/17/68/14/935176814.db2.gz MOOIJMQOFPAYGJ-MRXNPFEDSA-N 0 3 366.421 3.721 20 5 FHBDHN CCN(CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611701217 935940550 /nfs/dbraw/zinc/94/05/50/935940550.db2.gz OTRCOLIUNVLJLX-KRWDZBQOSA-N 0 3 371.466 3.516 20 5 FHBDHN CCOCCOCc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584004823 938536095 /nfs/dbraw/zinc/53/60/95/938536095.db2.gz WKVPAPFAXCNLMX-HXUWFJFHSA-N 0 3 370.449 3.925 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179509823 939222534 /nfs/dbraw/zinc/22/25/34/939222534.db2.gz FBMKZGRWUFKJMF-GFCCVEGCSA-N 0 3 361.833 3.623 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179509823 939222535 /nfs/dbraw/zinc/22/25/35/939222535.db2.gz FBMKZGRWUFKJMF-GFCCVEGCSA-N 0 3 361.833 3.623 20 5 FHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1F ZINC000179518601 939876381 /nfs/dbraw/zinc/87/63/81/939876381.db2.gz JLGIZKGJYOFFPH-UHFFFAOYSA-N 0 3 357.385 3.727 20 5 FHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065936396 940079220 /nfs/dbraw/zinc/07/92/20/940079220.db2.gz SRHNWWKSFVUIPI-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033060 940219366 /nfs/dbraw/zinc/21/93/66/940219366.db2.gz BJNBJLYLCISJPL-GFCCVEGCSA-N 0 3 366.368 3.791 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124752416 945325604 /nfs/dbraw/zinc/32/56/04/945325604.db2.gz SFYJPZBSZNSYHR-QWHCGFSZSA-N 0 3 359.348 3.552 20 5 FHBDHN Cc1ccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N2CCCC2)o1 ZINC000506793895 945332294 /nfs/dbraw/zinc/33/22/94/945332294.db2.gz CJYMLPZQWJBHJU-SFHVURJKSA-N 0 3 366.421 3.715 20 5 FHBDHN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907569 941090044 /nfs/dbraw/zinc/09/00/44/941090044.db2.gz NMOAIRUXHABKGD-DZGCQCFKSA-N 0 3 373.478 3.983 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000541006387 941098273 /nfs/dbraw/zinc/09/82/73/941098273.db2.gz PREBHFRWWWHEBT-KRWDZBQOSA-N 0 3 354.454 3.707 20 5 FHBDHN CC(C)c1ccc(CNCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000189043978 941144293 /nfs/dbraw/zinc/14/42/93/941144293.db2.gz KVYABWYWAWQRJM-UHFFFAOYSA-N 0 3 367.449 3.506 20 5 FHBDHN C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388795 941144651 /nfs/dbraw/zinc/14/46/51/941144651.db2.gz GSBIYDBGQMBLFU-BZNIZROVSA-N 0 3 365.227 3.742 20 5 FHBDHN Cc1c([C@@H](C)NCc2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720469 941655604 /nfs/dbraw/zinc/65/56/04/941655604.db2.gz OBYPQNCRXZXHRG-QGZVFWFLSA-N 0 3 369.465 3.586 20 5 FHBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000412072745 941670907 /nfs/dbraw/zinc/67/09/07/941670907.db2.gz LNAJTCAWKIKBID-JKSUJKDBSA-N 0 3 364.442 3.533 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000182629915 941940350 /nfs/dbraw/zinc/94/03/50/941940350.db2.gz UJJGKKLFMSOVGF-MRXNPFEDSA-N 0 3 359.470 3.689 20 5 FHBDHN CCc1cccc2c(CC[NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])c[nH]c21 ZINC000237007018 942235593 /nfs/dbraw/zinc/23/55/93/942235593.db2.gz ZOTNSESPDFWASK-UHFFFAOYSA-N 0 3 369.421 3.685 20 5 FHBDHN Cc1ccnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366551030 942570916 /nfs/dbraw/zinc/57/09/16/942570916.db2.gz ZMOFXDAPAXNAGI-UHFFFAOYSA-N 0 3 358.364 3.515 20 5 FHBDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000413330520 942667551 /nfs/dbraw/zinc/66/75/51/942667551.db2.gz OYXAJPZIUVLUEE-HNNXBMFYSA-N 0 3 350.419 3.566 20 5 FHBDHN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505602930 943150997 /nfs/dbraw/zinc/15/09/97/943150997.db2.gz BERDRWWVQRXQCP-SJKOYZFVSA-N 0 3 361.829 3.669 20 5 FHBDHN Cc1cccc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000162376668 943491932 /nfs/dbraw/zinc/49/19/32/943491932.db2.gz FYEGMDDGEBDUIC-NRFANRHFSA-N 0 3 367.449 3.688 20 5 FHBDHN O=C(NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000417345352 943532558 /nfs/dbraw/zinc/53/25/58/943532558.db2.gz UCQOBYCKSSOMBK-IBGZPJMESA-N 0 3 371.412 3.521 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389990 943567343 /nfs/dbraw/zinc/56/73/43/943567343.db2.gz QEDBRSSUOVWECR-VQIMIIECSA-N 0 3 361.392 3.613 20 5 FHBDHN Cn1cc(CN2CCC(OC3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418096239 944150078 /nfs/dbraw/zinc/15/00/78/944150078.db2.gz VIQAOKLXSFDOIF-UHFFFAOYSA-N 0 3 370.453 3.529 20 5 FHBDHN CCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124494 944464635 /nfs/dbraw/zinc/46/46/35/944464635.db2.gz XSULGLWZCZMWGG-PMACEKPBSA-N 0 3 369.465 3.725 20 5 FHBDHN Cc1cc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789235 944469091 /nfs/dbraw/zinc/46/90/91/944469091.db2.gz RTDBPIHMKOOCLY-YJBOKZPZSA-N 0 3 368.437 3.860 20 5 FHBDHN CCOc1ccc([C@H](C)NCCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000426328542 944469915 /nfs/dbraw/zinc/46/99/15/944469915.db2.gz CYQDNOXMRHDBDT-LBPRGKRZSA-N 0 3 364.471 3.862 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517823998 944688054 /nfs/dbraw/zinc/68/80/54/944688054.db2.gz LNVIKIWSTDDFJU-UHFFFAOYSA-N 0 3 372.469 3.660 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107071803 945479946 /nfs/dbraw/zinc/47/99/46/945479946.db2.gz OYAGAJWLVGMTJW-HUUCEWRRSA-N 0 3 371.437 3.898 20 5 FHBDHN CC(C)[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCC1 ZINC000550102495 945854591 /nfs/dbraw/zinc/85/45/91/945854591.db2.gz NRNAUHQFUOBOJO-QGZVFWFLSA-N 0 3 359.426 3.527 20 5 FHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC000108101682 945860709 /nfs/dbraw/zinc/86/07/09/945860709.db2.gz YOXNTPMUMJOSKT-UHFFFAOYSA-N 0 3 365.227 3.868 20 5 FHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522877443 946047869 /nfs/dbraw/zinc/04/78/69/946047869.db2.gz IOHYYPDNZQBDGD-SFHVURJKSA-N 0 3 373.840 3.815 20 5 FHBDHN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186478828 946370709 /nfs/dbraw/zinc/37/07/09/946370709.db2.gz GLSLUZQNCUZFNL-PXAZEXFGSA-N 0 3 361.829 3.669 20 5 FHBDHN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186478845 946371212 /nfs/dbraw/zinc/37/12/12/946371212.db2.gz GLSLUZQNCUZFNL-YVEFUNNKSA-N 0 3 361.829 3.669 20 5 FHBDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344604 946492769 /nfs/dbraw/zinc/49/27/69/946492769.db2.gz IWMLTNZXGFFXHP-WNYOCNMUSA-N 0 3 374.412 3.557 20 5 FHBDHN COC(=O)COc1ccc(CN(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000475557045 946645188 /nfs/dbraw/zinc/64/51/88/946645188.db2.gz VWKAVJFVLDUAOK-UHFFFAOYSA-N 0 3 372.421 3.557 20 5 FHBDHN COc1ccc(C[C@@H](C)CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674307 947099431 /nfs/dbraw/zinc/09/94/31/947099431.db2.gz KISLUAOFZGLZFM-CQSZACIVSA-N 0 3 368.437 3.790 20 5 FHBDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491552 947142462 /nfs/dbraw/zinc/14/24/62/947142462.db2.gz QPXBQDMTZUEKOS-DZGCQCFKSA-N 0 3 372.396 3.978 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444784664 947225900 /nfs/dbraw/zinc/22/59/00/947225900.db2.gz OKKGWMLPOVVVTQ-KRWDZBQOSA-N 0 3 354.450 3.973 20 5 FHBDHN CC1CCC(N2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000523490044 947307027 /nfs/dbraw/zinc/30/70/27/947307027.db2.gz ODZIJSDFZSBLOD-UHFFFAOYSA-N 0 3 373.497 3.595 20 5 FHBDHN Cc1c(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248400407 947913041 /nfs/dbraw/zinc/91/30/41/947913041.db2.gz XPKWUYQQPDWUQC-RDTXWAMCSA-N 0 3 368.437 3.545 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)Cc2ccccc2)o1 ZINC000105492972 948045320 /nfs/dbraw/zinc/04/53/20/948045320.db2.gz KFRJJVWVRPLFCD-INIZCTEOSA-N 0 3 352.390 3.548 20 5 FHBDHN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000571008171 948550977 /nfs/dbraw/zinc/55/09/77/948550977.db2.gz PIYPZHVGAUUCNM-QZTJIDSGSA-N 0 3 363.820 3.922 20 5 FHBDHN Cc1c([C@H](C)NCc2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000152106777 948743617 /nfs/dbraw/zinc/74/36/17/948743617.db2.gz ZCULWMWICFUXHQ-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CCC[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582670 568060542 /nfs/dbraw/zinc/06/05/42/568060542.db2.gz OUBXAUBAHOMQOU-IEBWSBKVSA-N 0 3 362.401 3.605 20 5 FHBDHN CC[C@@H](CN(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000481688620 568089006 /nfs/dbraw/zinc/08/90/06/568089006.db2.gz LPJMAWBLEMHOSO-HNNXBMFYSA-N 0 3 355.438 3.709 20 5 FHBDHN COc1cccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000481708278 568090095 /nfs/dbraw/zinc/09/00/95/568090095.db2.gz ADNZOUKNCUVDHJ-SFHVURJKSA-N 0 3 356.426 3.556 20 5 FHBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000302981499 568246246 /nfs/dbraw/zinc/24/62/46/568246246.db2.gz VJAFHGYJFRPYON-UHFFFAOYSA-N 0 3 368.481 3.653 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000541935025 568259622 /nfs/dbraw/zinc/25/96/22/568259622.db2.gz HGGMBFWIZLBJLJ-GOSISDBHSA-N 0 3 354.454 3.565 20 5 FHBDHN Cc1c(NC(=O)CCN2CC[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000569875135 568433046 /nfs/dbraw/zinc/43/30/46/568433046.db2.gz HPUUUSHFYMOEMB-INIZCTEOSA-N 0 3 371.412 3.860 20 5 FHBDHN O=C(CCN1CCC=C(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000569874018 568433050 /nfs/dbraw/zinc/43/30/50/568433050.db2.gz IJZNOFLFUNEELQ-UHFFFAOYSA-N 0 3 351.406 3.713 20 5 FHBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000570078233 568457442 /nfs/dbraw/zinc/45/74/42/568457442.db2.gz RXOWTYJVSSKYQX-UHFFFAOYSA-N 0 3 360.845 3.967 20 5 FHBDHN O=[N+]([O-])c1cnn(CCN2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000134857081 929406160 /nfs/dbraw/zinc/40/61/60/929406160.db2.gz AMPHPYLZHBCUTC-UHFFFAOYSA-N 0 3 366.874 3.701 20 5 FHBDHN Cc1ccc([C@@H]2CCCCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000610004511 929772352 /nfs/dbraw/zinc/77/23/52/929772352.db2.gz PXFXXBZDRSLVOJ-HKUYNNGSSA-N 0 3 374.437 3.853 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)n1 ZINC000580116736 930264213 /nfs/dbraw/zinc/26/42/13/930264213.db2.gz RVYLHZVJIPXJQO-GOSISDBHSA-N 0 3 358.442 3.800 20 5 FHBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379681526 930530272 /nfs/dbraw/zinc/53/02/72/930530272.db2.gz RGJSSMKKRYFVGV-QGZVFWFLSA-N 0 3 357.458 3.586 20 5 FHBDHN CCc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000610435088 930559647 /nfs/dbraw/zinc/55/96/47/930559647.db2.gz AKWAWBMMGMHTEA-UHFFFAOYSA-N 0 3 367.449 3.898 20 5 FHBDHN CCS[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175873465 931423456 /nfs/dbraw/zinc/42/34/56/931423456.db2.gz ORTLDCMCEPEXLR-HZPDHXFCSA-N 0 3 352.456 3.615 20 5 FHBDHN Cc1cccc2nc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn21 ZINC000178056389 932243094 /nfs/dbraw/zinc/24/30/94/932243094.db2.gz ZKMYGBWATFFYOI-SFHVURJKSA-N 0 3 350.422 3.662 20 5 FHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000477291024 932453049 /nfs/dbraw/zinc/45/30/49/932453049.db2.gz KIJVRZMKHXPDDH-MRXNPFEDSA-N 0 3 361.829 3.589 20 5 FHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157431398 932532247 /nfs/dbraw/zinc/53/22/47/932532247.db2.gz RGBLVYAAICCWJB-UHFFFAOYSA-N 0 3 364.405 3.765 20 5 FHBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000471787501 932912209 /nfs/dbraw/zinc/91/22/09/932912209.db2.gz LJCNXQLVSANSND-UHFFFAOYSA-N 0 3 373.428 3.500 20 5 FHBDHN COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000074725580 933077093 /nfs/dbraw/zinc/07/70/93/933077093.db2.gz RTCJOAPEOIVUNW-GOSISDBHSA-N 0 3 356.426 3.556 20 5 FHBDHN C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827913 934501972 /nfs/dbraw/zinc/50/19/72/934501972.db2.gz DSYAIYMYNWYPGR-BEFAXECRSA-N 0 3 350.422 3.963 20 5 FHBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133854 934842793 /nfs/dbraw/zinc/84/27/93/934842793.db2.gz GBFJLLHGGRYMBX-MRXNPFEDSA-N 0 3 373.478 3.900 20 5 FHBDHN C/C=C\C[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161436 935247422 /nfs/dbraw/zinc/24/74/22/935247422.db2.gz VWZIZCGIEABNCV-RXYHWBRQSA-N 0 3 360.385 3.943 20 5 FHBDHN C/C=C\C[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161438 935247598 /nfs/dbraw/zinc/24/75/98/935247598.db2.gz VWZIZCGIEABNCV-YPQKKHBXSA-N 0 3 360.385 3.943 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC=C(c2ccco2)C1 ZINC000511118920 935669889 /nfs/dbraw/zinc/66/98/89/935669889.db2.gz CCSXHMAHLSCADZ-UHFFFAOYSA-N 0 3 355.394 3.614 20 5 FHBDHN CN(CCN1CCCC1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000110908848 945150896 /nfs/dbraw/zinc/15/08/96/945150896.db2.gz FWIIBRGEINSLSQ-UHFFFAOYSA-N 0 3 368.437 3.506 20 5 FHBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000472351501 939014395 /nfs/dbraw/zinc/01/43/95/939014395.db2.gz SQDWFAGQFRISGH-HEFCMCLBSA-N 0 3 374.412 3.557 20 5 FHBDHN C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000411485514 940051628 /nfs/dbraw/zinc/05/16/28/940051628.db2.gz RFLZUHJTQNFYNO-KXBFYZLASA-N 0 3 367.449 3.829 20 5 FHBDHN CCOC(=O)C1CCC(N(CC)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000581733186 940510914 /nfs/dbraw/zinc/51/09/14/940510914.db2.gz RKQYOOHDPLTVFD-UHFFFAOYSA-N 0 3 352.406 3.678 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000414321515 940961690 /nfs/dbraw/zinc/96/16/90/940961690.db2.gz FDEVSZVQKJRVFD-UKRRQHHQSA-N 0 3 358.467 3.825 20 5 FHBDHN C[C@@H](NC[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000180434103 941015605 /nfs/dbraw/zinc/01/56/05/941015605.db2.gz ZIDJDMGDOLIYAK-BDJLRTHQSA-N 0 3 365.227 3.742 20 5 FHBDHN CC(=O)N1CCC(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180478679 941026038 /nfs/dbraw/zinc/02/60/38/941026038.db2.gz GSPHNPYLXYZTAJ-NRFANRHFSA-N 0 3 367.449 3.532 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NCCCOC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180604881 941052480 /nfs/dbraw/zinc/05/24/80/941052480.db2.gz ZNMZEBKAWYRDDV-LAUBAEHRSA-N 0 3 370.449 3.717 20 5 FHBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595545 941213551 /nfs/dbraw/zinc/21/35/51/941213551.db2.gz DTZNRPCLCZHDIO-FZMZJTMJSA-N 0 3 366.767 3.821 20 5 FHBDHN Cc1ccc([C@H](C)NCCOCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000189861781 941290054 /nfs/dbraw/zinc/29/00/54/941290054.db2.gz CTRRRBYKTDABMA-JTQLQIEISA-N 0 3 356.291 3.768 20 5 FHBDHN Cc1ccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000513395831 941890818 /nfs/dbraw/zinc/89/08/18/941890818.db2.gz AFCMTHMLLJTLES-HXUWFJFHSA-N 0 3 372.465 3.862 20 5 FHBDHN CCOc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000433775703 941893457 /nfs/dbraw/zinc/89/34/57/941893457.db2.gz SQTKBWDWFBCKKN-JXFKEZNVSA-N 0 3 370.453 3.518 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543329 942004384 /nfs/dbraw/zinc/00/43/84/942004384.db2.gz RNPLEADGOOVNSE-XHDPSFHLSA-N 0 3 364.377 3.578 20 5 FHBDHN Cc1cc(C)c2c(c1)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000501977211 942158313 /nfs/dbraw/zinc/15/83/13/942158313.db2.gz RGJFSUOWCDFIQC-UHFFFAOYSA-N 0 3 353.422 3.599 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000103232839 942237463 /nfs/dbraw/zinc/23/74/63/942237463.db2.gz ABCMHQVERBTSSH-UHFFFAOYSA-N 0 3 370.453 3.807 20 5 FHBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000413157587 942353184 /nfs/dbraw/zinc/35/31/84/942353184.db2.gz IAIATGJJXBPDMH-NHYWBVRUSA-N 0 3 350.419 3.685 20 5 FHBDHN COc1cc(CN(C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590658 942567100 /nfs/dbraw/zinc/56/71/00/942567100.db2.gz PHZWKFLHWGATMX-YPMHNXCESA-N 0 3 358.385 3.868 20 5 FHBDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630259 942754322 /nfs/dbraw/zinc/75/43/22/942754322.db2.gz LJBNCJJUZIBLDR-CABCVRRESA-N 0 3 370.405 3.740 20 5 FHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710394 942763842 /nfs/dbraw/zinc/76/38/42/942763842.db2.gz KITKEZZZVKZVSW-OAHLLOKOSA-N 0 3 365.499 3.509 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000378501876 942831711 /nfs/dbraw/zinc/83/17/11/942831711.db2.gz ZUWCKJFFSJEGLD-APWZRJJASA-N 0 3 371.481 3.689 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(-n3cncn3)c1)CCCC2 ZINC000417313117 943509010 /nfs/dbraw/zinc/50/90/10/943509010.db2.gz OTXUPTWEOMQHMW-FQEVSTJZSA-N 0 3 363.421 3.733 20 5 FHBDHN CN(C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000436265780 944141747 /nfs/dbraw/zinc/14/17/47/944141747.db2.gz MSMAYRRGDNUJLJ-NSHDSACASA-N 0 3 360.361 3.785 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CO)Cc3ccc(F)cc3)o2)c1 ZINC000500246933 944327956 /nfs/dbraw/zinc/32/79/56/944327956.db2.gz ZNDSXFNPNIPIQV-QGZVFWFLSA-N 0 3 370.380 3.687 20 5 FHBDHN CC1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000515981466 944394367 /nfs/dbraw/zinc/39/43/67/944394367.db2.gz VVLOBCAIEOWNQJ-HXUWFJFHSA-N 0 3 367.449 3.798 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000438367854 944538954 /nfs/dbraw/zinc/53/89/54/944538954.db2.gz XWSMXYDHOWTQGT-RDJZCZTQSA-N 0 3 356.422 3.810 20 5 FHBDHN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993013 944557379 /nfs/dbraw/zinc/55/73/79/944557379.db2.gz JDNBEOJUGHGDJQ-NVXWUHKLSA-N 0 3 355.438 3.565 20 5 FHBDHN C[C@H]1[C@H](CO)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993014 944557456 /nfs/dbraw/zinc/55/74/56/944557456.db2.gz JDNBEOJUGHGDJQ-RDJZCZTQSA-N 0 3 355.438 3.565 20 5 FHBDHN O=c1[nH]ccc2c1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000426373482 944583692 /nfs/dbraw/zinc/58/36/92/944583692.db2.gz SMTXWCRZAAANGK-UHFFFAOYSA-N 0 3 367.430 3.982 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000025855049 944732685 /nfs/dbraw/zinc/73/26/85/944732685.db2.gz YEOPYKXYWCMADO-UHFFFAOYSA-N 0 3 368.437 3.509 20 5 FHBDHN CCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479934 945665819 /nfs/dbraw/zinc/66/58/19/945665819.db2.gz JINNMFYFSOQMPU-KRWDZBQOSA-N 0 3 363.458 3.816 20 5 FHBDHN CN(CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000546255933 946192226 /nfs/dbraw/zinc/19/22/26/946192226.db2.gz WLSGLZUSCMIAGX-UHFFFAOYSA-N 0 3 372.812 3.973 20 5 FHBDHN Cc1c([C@@H](C)N[C@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862429 947068884 /nfs/dbraw/zinc/06/88/84/947068884.db2.gz GGRLTLBETJSADQ-ZBFHGGJFSA-N 0 3 357.410 3.674 20 5 FHBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491222 947140463 /nfs/dbraw/zinc/14/04/63/947140463.db2.gz QPXBQDMTZUEKOS-HIFRSBDPSA-N 0 3 372.396 3.978 20 5 FHBDHN C[C@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000536336905 947533468 /nfs/dbraw/zinc/53/34/68/947533468.db2.gz QGSFFSBILUURHN-AWEZNQCLSA-N 0 3 360.357 3.726 20 5 FHBDHN Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1 ZINC000072839854 947569875 /nfs/dbraw/zinc/56/98/75/947569875.db2.gz BUODUPNIRCMCLQ-UHFFFAOYSA-N 0 3 370.453 3.796 20 5 FHBDHN COc1ccc(OCCN2CCC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441489923 947972472 /nfs/dbraw/zinc/97/24/72/947972472.db2.gz PIHOQWLOWCZDEU-KRWDZBQOSA-N 0 3 372.421 3.828 20 5 FHBDHN CC1(C)C[C@H](NCc2cccc(-n3cncn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279134988 948541280 /nfs/dbraw/zinc/54/12/80/948541280.db2.gz RHNMERIVDGBGDQ-IBGZPJMESA-N 0 3 363.421 3.688 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)co2)cc1 ZINC000279251378 948660358 /nfs/dbraw/zinc/66/03/58/948660358.db2.gz LGNCEAFXYKNWBY-KZNAEPCWSA-N 0 3 369.421 3.687 20 5 FHBDHN COc1ccc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000108081891 209282779 /nfs/dbraw/zinc/28/27/79/209282779.db2.gz CQSMCKALSXHMSD-LJQANCHMSA-N 0 3 356.422 3.992 20 5 FHBDHN CC[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000128564840 568016794 /nfs/dbraw/zinc/01/67/94/568016794.db2.gz WIRRAEWIKUVZES-FQEVSTJZSA-N 0 3 367.449 3.958 20 5 FHBDHN COc1cc(CN2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341104 568031847 /nfs/dbraw/zinc/03/18/47/568031847.db2.gz OYQGUCWWXNAGET-GFCCVEGCSA-N 0 3 358.385 3.725 20 5 FHBDHN COCCOCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000291066528 568049147 /nfs/dbraw/zinc/04/91/47/568049147.db2.gz AQSHLSPOJHRFRB-MRXNPFEDSA-N 0 3 358.438 3.917 20 5 FHBDHN CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000291237310 568086167 /nfs/dbraw/zinc/08/61/67/568086167.db2.gz APLDQUXLDWCIIM-HZMBPMFUSA-N 0 3 374.268 3.704 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000481833643 568147675 /nfs/dbraw/zinc/14/76/75/568147675.db2.gz DSHLCYUBYVCPBE-OCCSQVGLSA-N 0 3 360.385 3.874 20 5 FHBDHN CC(C)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291494810 568180294 /nfs/dbraw/zinc/18/02/94/568180294.db2.gz UFEOTOGHSQZAEQ-UHFFFAOYSA-N 0 3 360.241 3.504 20 5 FHBDHN CC(C)(C)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000563121854 568222789 /nfs/dbraw/zinc/22/27/89/568222789.db2.gz HLNIIZUIFLMLPO-HNNXBMFYSA-N 0 3 373.478 3.812 20 5 FHBDHN CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000569285320 568333437 /nfs/dbraw/zinc/33/34/37/568333437.db2.gz IKQHQBWFJQKTJR-SFHVURJKSA-N 0 3 373.478 3.658 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1 ZINC000569842913 568422347 /nfs/dbraw/zinc/42/23/47/568422347.db2.gz BWQAEWCFEMAFRD-GOSISDBHSA-N 0 3 371.437 3.547 20 5 FHBDHN Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156277 928147148 /nfs/dbraw/zinc/14/71/48/928147148.db2.gz JUCISHOOFRCQDG-HZPDHXFCSA-N 0 3 368.437 3.710 20 5 FHBDHN Cc1ccc(CN2CCN(Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001167346410 930139269 /nfs/dbraw/zinc/13/92/69/930139269.db2.gz ABIPOCIVAREJDM-UHFFFAOYSA-N 0 3 353.466 4.000 20 5 FHBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000165508583 930207450 /nfs/dbraw/zinc/20/74/50/930207450.db2.gz QJXUVKKCGBFBBP-CYBMUJFWSA-N 0 3 361.829 3.637 20 5 FHBDHN CC[C@@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000165517825 930543291 /nfs/dbraw/zinc/54/32/91/930543291.db2.gz ZYHAMIKUOPQWCR-QGZVFWFLSA-N 0 3 361.829 3.719 20 5 FHBDHN Cc1ccccc1[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537292385 930897909 /nfs/dbraw/zinc/89/79/09/930897909.db2.gz VHBBGCPNHVYURJ-KUHUBIRLSA-N 0 3 353.422 3.971 20 5 FHBDHN Cc1ccc([C@H](C)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000119248407 930951661 /nfs/dbraw/zinc/95/16/61/930951661.db2.gz HNVBQHIIKNNMJO-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccsc1 ZINC000471613395 931058468 /nfs/dbraw/zinc/05/84/68/931058468.db2.gz XMMNMWUHHJRDNS-ZIAGYGMSSA-N 0 3 352.481 3.850 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)Cc3ccccc3)o2)cc1 ZINC000187366618 931568878 /nfs/dbraw/zinc/56/88/78/931568878.db2.gz DOEJPWKKRHFWLJ-QGZVFWFLSA-N 0 3 352.390 3.548 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccc(F)c1 ZINC000537984448 932186417 /nfs/dbraw/zinc/18/64/17/932186417.db2.gz VOHQRRKMTGCJLB-JKSUJKDBSA-N 0 3 364.442 3.928 20 5 FHBDHN COC[C@H](C)N(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000510441715 932388916 /nfs/dbraw/zinc/38/89/16/932388916.db2.gz GVURKDFNYLNYLT-HNNXBMFYSA-N 0 3 374.437 3.649 20 5 FHBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c2c(c1)COCO2 ZINC000055908754 932735817 /nfs/dbraw/zinc/73/58/17/932735817.db2.gz NJDLNQOQUOLPLY-GOSISDBHSA-N 0 3 372.396 3.808 20 5 FHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccsc1 ZINC000510891151 933964394 /nfs/dbraw/zinc/96/43/94/933964394.db2.gz BOOSKPCGGPAUSN-QGZVFWFLSA-N 0 3 361.467 3.778 20 5 FHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000535706120 934303679 /nfs/dbraw/zinc/30/36/79/934303679.db2.gz UXYQAKGSHAEYFZ-UHFFFAOYSA-N 0 3 352.394 3.698 20 5 FHBDHN C/C=C/C[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161437 935247667 /nfs/dbraw/zinc/24/76/67/935247667.db2.gz VWZIZCGIEABNCV-WOMSROEHSA-N 0 3 360.385 3.943 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000507255960 945088197 /nfs/dbraw/zinc/08/81/97/945088197.db2.gz JGDUGRZVHLZKMO-UHFFFAOYSA-N 0 3 359.401 3.689 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOCC34CCCCC4)o2)c1 ZINC000451810422 935522334 /nfs/dbraw/zinc/52/23/34/935522334.db2.gz CNVHRPBCLDJUDU-UHFFFAOYSA-N 0 3 371.437 3.827 20 5 FHBDHN COc1ccc([C@@H]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000092783359 935896301 /nfs/dbraw/zinc/89/63/01/935896301.db2.gz HDLXTKXRKWEYSJ-OAHLLOKOSA-N 0 3 372.421 3.610 20 5 FHBDHN CCOCCO[C@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000157881184 938434927 /nfs/dbraw/zinc/43/49/27/938434927.db2.gz UOVIDJCFEUITQG-SFHVURJKSA-N 0 3 367.445 3.574 20 5 FHBDHN C[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458771450 938553056 /nfs/dbraw/zinc/55/30/56/938553056.db2.gz MPSXXVAPPOSMPO-YZVOILCLSA-N 0 3 370.453 3.646 20 5 FHBDHN Cc1cc(CN(C)C)cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000536212299 938596085 /nfs/dbraw/zinc/59/60/85/938596085.db2.gz AXAOKQNFXNHZSH-UHFFFAOYSA-N 0 3 355.438 3.881 20 5 FHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000584143115 938616140 /nfs/dbraw/zinc/61/61/40/938616140.db2.gz KJRIEHRGCGKKCU-HNNXBMFYSA-N 0 3 370.453 3.799 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935122 938993067 /nfs/dbraw/zinc/99/30/67/938993067.db2.gz KQUUUTCEOSSHLG-FQEVSTJZSA-N 0 3 369.465 3.920 20 5 FHBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336992 938995388 /nfs/dbraw/zinc/99/53/88/938995388.db2.gz GPBZOEUJODAIBE-SJLPKXTDSA-N 0 3 367.449 3.511 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000518254481 945256675 /nfs/dbraw/zinc/25/66/75/945256675.db2.gz VHAKFGJGGNOMEX-MRXNPFEDSA-N 0 3 369.465 3.770 20 5 FHBDHN CCOc1ccccc1NC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411476731 940047561 /nfs/dbraw/zinc/04/75/61/940047561.db2.gz QDIPYZHBJXJHKC-OAHLLOKOSA-N 0 3 371.437 3.981 20 5 FHBDHN COc1cccc(NC(=O)CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000411480983 940047950 /nfs/dbraw/zinc/04/79/50/940047950.db2.gz YWGWSGWXRYSZBN-CQSZACIVSA-N 0 3 357.410 3.591 20 5 FHBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000411480699 940048041 /nfs/dbraw/zinc/04/80/41/940048041.db2.gz YEIAXRSEENAVPC-GFCCVEGCSA-N 0 3 363.364 3.861 20 5 FHBDHN CCOc1ccc(NC(=O)CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411772031 940115783 /nfs/dbraw/zinc/11/57/83/940115783.db2.gz PPHGFSUEULMGJV-AWEZNQCLSA-N 0 3 357.410 3.673 20 5 FHBDHN Cn1ncc2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc21 ZINC000580807918 940488206 /nfs/dbraw/zinc/48/82/06/940488206.db2.gz DYRLBMKBDOCAJN-SFHVURJKSA-N 0 3 350.422 3.994 20 5 FHBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186302219 940971968 /nfs/dbraw/zinc/97/19/68/940971968.db2.gz XDBIGIYKYNIBPQ-IBGZPJMESA-N 0 3 367.449 3.640 20 5 FHBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000103117373 941144317 /nfs/dbraw/zinc/14/43/17/941144317.db2.gz ZSFTUBGSBWZKKR-UHFFFAOYSA-N 0 3 369.421 3.555 20 5 FHBDHN C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388837 941148629 /nfs/dbraw/zinc/14/86/29/941148629.db2.gz GSBIYDBGQMBLFU-BDJLRTHQSA-N 0 3 365.227 3.742 20 5 FHBDHN C[C@H](c1ccccc1)[C@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181537964 941538763 /nfs/dbraw/zinc/53/87/63/941538763.db2.gz SMEDBFLIQFHWHV-KBPBESRZSA-N 0 3 352.394 3.927 20 5 FHBDHN NC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000549156235 941549832 /nfs/dbraw/zinc/54/98/32/941549832.db2.gz APBWMVRPJPCVOG-REPLKXPHSA-N 0 3 365.433 3.604 20 5 FHBDHN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)CN1 ZINC000415183908 941658052 /nfs/dbraw/zinc/65/80/52/941658052.db2.gz CQDWNKQUSCWMPQ-KGLIPLIRSA-N 0 3 370.409 3.601 20 5 FHBDHN COc1ccccc1O[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000513392649 941888606 /nfs/dbraw/zinc/88/86/06/941888606.db2.gz VLELKPSRABAXHO-GOSISDBHSA-N 0 3 356.422 3.689 20 5 FHBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000500983576 942081839 /nfs/dbraw/zinc/08/18/39/942081839.db2.gz KQZWVBHZGQRTTN-UHFFFAOYSA-N 0 3 353.422 3.717 20 5 FHBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN(CCc4cccs4)CC3)c2c1 ZINC000413073167 942259844 /nfs/dbraw/zinc/25/98/44/942259844.db2.gz OFFRAMBISSZVGI-UHFFFAOYSA-N 0 3 368.462 3.569 20 5 FHBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000103484084 942268350 /nfs/dbraw/zinc/26/83/50/942268350.db2.gz ZORXUBYMRWOFLF-UHFFFAOYSA-N 0 3 371.437 3.765 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](n3cccn3)C2)o1 ZINC000092967614 942286920 /nfs/dbraw/zinc/28/69/20/942286920.db2.gz HZHQVPURGKJKPT-HNNXBMFYSA-N 0 3 352.394 3.888 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700331 942597209 /nfs/dbraw/zinc/59/72/09/942597209.db2.gz DQTYLGZEMUIQMX-FQEVSTJZSA-N 0 3 353.422 3.973 20 5 FHBDHN COc1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000511542100 942620293 /nfs/dbraw/zinc/62/02/93/942620293.db2.gz NNVFEXMJJOCKOR-QGZVFWFLSA-N 0 3 374.412 3.958 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000435057977 943130268 /nfs/dbraw/zinc/13/02/68/943130268.db2.gz RDJDPTAOMNFNIH-LJQANCHMSA-N 0 3 365.389 3.903 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](n3ccnn3)C2)s1 ZINC000425355114 943361473 /nfs/dbraw/zinc/36/14/73/943361473.db2.gz UGYFXBCZEVQPTQ-CQSZACIVSA-N 0 3 369.450 3.752 20 5 FHBDHN Cc1c([C@H](C)NCCNC(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000424327167 943845933 /nfs/dbraw/zinc/84/59/33/943845933.db2.gz OEBKJBVHBHWCOH-KRWDZBQOSA-N 0 3 369.465 3.693 20 5 FHBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000425493512 944112125 /nfs/dbraw/zinc/11/21/25/944112125.db2.gz OYGUHUDHCGULEB-NWANDNLSSA-N 0 3 369.259 3.651 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000505786569 944171768 /nfs/dbraw/zinc/17/17/68/944171768.db2.gz CBDJXEPUHMOBMF-CQSZACIVSA-N 0 3 365.499 3.559 20 5 FHBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390401 944259111 /nfs/dbraw/zinc/25/91/11/944259111.db2.gz OZEMNVZCGWTYTO-QUCCMNQESA-N 0 3 374.437 3.511 20 5 FHBDHN CN(CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000436398254 944274133 /nfs/dbraw/zinc/27/41/33/944274133.db2.gz DBOCNORMQWSDOW-UHFFFAOYSA-N 0 3 372.322 3.692 20 5 FHBDHN Cc1cc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473785427 944480148 /nfs/dbraw/zinc/48/01/48/944480148.db2.gz IIEHKJHXOJOZRK-OAHLLOKOSA-N 0 3 356.426 3.545 20 5 FHBDHN Cc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473787769 944485394 /nfs/dbraw/zinc/48/53/94/944485394.db2.gz POFWPCWZSJMEJY-SFHVURJKSA-N 0 3 368.437 3.641 20 5 FHBDHN COC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000506306715 944865037 /nfs/dbraw/zinc/86/50/37/944865037.db2.gz BNWZRPSLUJGMPU-ZDUSSCGKSA-N 0 3 360.435 3.708 20 5 FHBDHN CN(c1ccccc1)c1ccc(CN(CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000439769226 944972421 /nfs/dbraw/zinc/97/24/21/944972421.db2.gz UDCQYGRIHGVGRH-UHFFFAOYSA-N 0 3 355.438 3.710 20 5 FHBDHN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511762756 945052549 /nfs/dbraw/zinc/05/25/49/945052549.db2.gz OITFDMSKMRHOTP-SZVBFZGTSA-N 0 3 356.397 3.738 20 5 FHBDHN COc1cc(CN2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507671368 945422293 /nfs/dbraw/zinc/42/22/93/945422293.db2.gz ZRSBEUNRXGFOHA-INIZCTEOSA-N 0 3 356.422 3.677 20 5 FHBDHN CC(C)[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCC1 ZINC000550102488 945854441 /nfs/dbraw/zinc/85/44/41/945854441.db2.gz NRNAUHQFUOBOJO-KRWDZBQOSA-N 0 3 359.426 3.527 20 5 FHBDHN Cc1c([C@@H](C)NCc2cccc(Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129435787 946013738 /nfs/dbraw/zinc/01/37/38/946013738.db2.gz STMZFCGWBCRTNV-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1cccc(C)c1OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350117 946220612 /nfs/dbraw/zinc/22/06/12/946220612.db2.gz KIOQCDQIFIZIFE-HXUWFJFHSA-N 0 3 372.465 3.862 20 5 FHBDHN Cc1c(NC(=O)CCN2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186219435 946629372 /nfs/dbraw/zinc/62/93/72/946629372.db2.gz LLRDODOIUDWGAI-UHFFFAOYSA-N 0 3 365.433 3.779 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475339698 946907738 /nfs/dbraw/zinc/90/77/38/946907738.db2.gz RIXFBGUNPZBSIF-BBRMVZONSA-N 0 3 360.385 3.874 20 5 FHBDHN CCCN(CCc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184511931 946922851 /nfs/dbraw/zinc/92/28/51/946922851.db2.gz RBDMYZFKXHVJCD-UHFFFAOYSA-N 0 3 362.451 3.978 20 5 FHBDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349231 947627392 /nfs/dbraw/zinc/62/73/92/947627392.db2.gz PWAHLHAPLKJGKW-JLTOFOAXSA-N 0 3 373.453 3.917 20 5 FHBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349236 947627480 /nfs/dbraw/zinc/62/74/80/947627480.db2.gz PWAHLHAPLKJGKW-VBKZILBWSA-N 0 3 373.453 3.917 20 5 FHBDHN Cc1cc(C)n(-c2ccc(CNc3cc4c(cc3[N+](=O)[O-])CNC4)cc2)n1 ZINC001167794547 947669558 /nfs/dbraw/zinc/66/95/58/947669558.db2.gz KNWVQJGJZDZDEA-UHFFFAOYSA-N 0 3 363.421 3.613 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544623563 947725694 /nfs/dbraw/zinc/72/56/94/947725694.db2.gz HBNIURSBXMYTGF-UHFFFAOYSA-N 0 3 366.437 3.710 20 5 FHBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Cl)cc1 ZINC000481401842 567888892 /nfs/dbraw/zinc/88/88/92/567888892.db2.gz JHPDJQQJDXBBSX-QGZVFWFLSA-N 0 3 373.840 3.798 20 5 FHBDHN COCCOCc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000291164772 568066590 /nfs/dbraw/zinc/06/65/90/568066590.db2.gz JJSCSQVTVKAMSJ-NRFANRHFSA-N 0 3 370.449 3.925 20 5 FHBDHN COCc1ccc([C@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000131113087 568119734 /nfs/dbraw/zinc/11/97/34/568119734.db2.gz ZNBDANYQRBLHQS-GOSISDBHSA-N 0 3 360.410 3.940 20 5 FHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000043745261 568217719 /nfs/dbraw/zinc/21/77/19/568217719.db2.gz FUBPEKHVSKNBSX-MRXNPFEDSA-N 0 3 361.467 3.778 20 5 FHBDHN CN(C)c1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2n1 ZINC000569000151 568266034 /nfs/dbraw/zinc/26/60/34/568266034.db2.gz CCCAYGGITDGMIU-SFHVURJKSA-N 0 3 362.433 3.986 20 5 FHBDHN CC[C@@H](NCCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000482125320 568273806 /nfs/dbraw/zinc/27/38/06/568273806.db2.gz UQBYWBCKIWOIGH-QGZVFWFLSA-N 0 3 373.478 3.672 20 5 FHBDHN CC[C@H](NCCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000482125318 568273867 /nfs/dbraw/zinc/27/38/67/568273867.db2.gz UQBYWBCKIWOIGH-KRWDZBQOSA-N 0 3 373.478 3.672 20 5 FHBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000128774344 568290936 /nfs/dbraw/zinc/29/09/36/568290936.db2.gz LQKRMNSVMWDGRR-UHFFFAOYSA-N 0 3 369.421 3.517 20 5 FHBDHN Cc1ccccc1C[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466912104 936352643 /nfs/dbraw/zinc/35/26/43/936352643.db2.gz DDYBQLXDQDDDCC-QGZVFWFLSA-N 0 3 366.417 3.856 20 5 FHBDHN COc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600187367 927150893 /nfs/dbraw/zinc/15/08/93/927150893.db2.gz XQZFMFGNMJHKEN-CALCHBBNSA-N 0 3 354.406 3.634 20 5 FHBDHN O=[N+]([O-])c1cc(CNCC2=CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000583167217 937198990 /nfs/dbraw/zinc/19/89/90/937198990.db2.gz OJKAXMXKFPBCCP-UHFFFAOYSA-N 0 3 358.369 3.963 20 5 FHBDHN CSc1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187092997 927907525 /nfs/dbraw/zinc/90/75/25/927907525.db2.gz WYCNLIXTKHUXDU-GUYCJALGSA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156278 928157529 /nfs/dbraw/zinc/15/75/29/928157529.db2.gz JUCISHOOFRCQDG-JKSUJKDBSA-N 0 3 368.437 3.710 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000610062018 930069554 /nfs/dbraw/zinc/06/95/54/930069554.db2.gz FQFIHVLYILYPSY-LJQANCHMSA-N 0 3 369.465 3.600 20 5 FHBDHN Cc1ccc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000187341507 930282771 /nfs/dbraw/zinc/28/27/71/930282771.db2.gz QZNGVMKMEFOIAC-QGZVFWFLSA-N 0 3 363.421 3.533 20 5 FHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000580706799 931035084 /nfs/dbraw/zinc/03/50/84/931035084.db2.gz QOJDTBYMXUJWOZ-INIZCTEOSA-N 0 3 367.449 3.898 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383285 931811622 /nfs/dbraw/zinc/81/16/22/931811622.db2.gz ZYVBGQMUKDZMQA-MAUKXSAKSA-N 0 3 356.401 3.693 20 5 FHBDHN Cc1cccc2nc(CN[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn21 ZINC000178056402 932243115 /nfs/dbraw/zinc/24/31/15/932243115.db2.gz ZKMYGBWATFFYOI-GOSISDBHSA-N 0 3 350.422 3.662 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1C ZINC000276398096 932339386 /nfs/dbraw/zinc/33/93/86/932339386.db2.gz JZKZWJXQYJKLLN-WMLDXEAASA-N 0 3 365.429 3.577 20 5 FHBDHN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCN(C2CCC2)C1 ZINC000561533071 932429045 /nfs/dbraw/zinc/42/90/45/932429045.db2.gz CDXHYECYEZPGQO-ZDUSSCGKSA-N 0 3 373.478 3.756 20 5 FHBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)c2c(c1)COCO2 ZINC000055908753 932735971 /nfs/dbraw/zinc/73/59/71/932735971.db2.gz NJDLNQOQUOLPLY-SFHVURJKSA-N 0 3 372.396 3.808 20 5 FHBDHN COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000074725576 933077492 /nfs/dbraw/zinc/07/74/92/933077492.db2.gz RTCJOAPEOIVUNW-SFHVURJKSA-N 0 3 356.426 3.556 20 5 FHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444623 934809287 /nfs/dbraw/zinc/80/92/87/934809287.db2.gz HAZAGWBYGQFUIG-YOEHRIQHSA-N 0 3 371.437 3.980 20 5 FHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3cccc4c3CCOC4)CC2)cc1 ZINC001167500597 934818091 /nfs/dbraw/zinc/81/80/91/934818091.db2.gz VCZKJYCJOFHJTE-UHFFFAOYSA-N 0 3 368.433 3.711 20 5 FHBDHN CC(=O)c1cc(N2CCCN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000383089974 945074490 /nfs/dbraw/zinc/07/44/90/945074490.db2.gz QTNQCEBWRVTNRN-INIZCTEOSA-N 0 3 367.449 3.898 20 5 FHBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000472125319 935098571 /nfs/dbraw/zinc/09/85/71/935098571.db2.gz BSCRQPBCZOXAFC-SJCJKPOMSA-N 0 3 360.389 3.547 20 5 FHBDHN CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000051377126 935135485 /nfs/dbraw/zinc/13/54/85/935135485.db2.gz YCSBYJYUFCDABG-UHFFFAOYSA-N 0 3 360.410 3.513 20 5 FHBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000072035424 935229069 /nfs/dbraw/zinc/22/90/69/935229069.db2.gz OINVLCLGDJKHMH-MRXNPFEDSA-N 0 3 371.412 3.893 20 5 FHBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277733907 935865941 /nfs/dbraw/zinc/86/59/41/935865941.db2.gz OKRNNNOABYUILK-HNNXBMFYSA-N 0 3 363.461 3.507 20 5 FHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479868805 935909874 /nfs/dbraw/zinc/90/98/74/935909874.db2.gz UOSUBCIGOHOIEH-AWEZNQCLSA-N 0 3 365.355 3.982 20 5 FHBDHN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000480481730 938962497 /nfs/dbraw/zinc/96/24/97/938962497.db2.gz NNBDJXLHQOGJQU-KRWDZBQOSA-N 0 3 358.385 3.617 20 5 FHBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336990 938995407 /nfs/dbraw/zinc/99/54/07/938995407.db2.gz GPBZOEUJODAIBE-AEFFLSMTSA-N 0 3 367.449 3.511 20 5 FHBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000472351500 939014442 /nfs/dbraw/zinc/01/44/42/939014442.db2.gz SQDWFAGQFRISGH-DJKXOVBDSA-N 0 3 374.412 3.557 20 5 FHBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000065746157 939021687 /nfs/dbraw/zinc/02/16/87/939021687.db2.gz TXNKRHIIQOZAPE-UHFFFAOYSA-N 0 3 353.850 3.585 20 5 FHBDHN CC(=O)c1cc(N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000383102673 945245472 /nfs/dbraw/zinc/24/54/72/945245472.db2.gz CARDLVGZNILVID-INIZCTEOSA-N 0 3 367.449 3.898 20 5 FHBDHN CC(C)(C)OC(=O)N(CCNCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000310592805 939936331 /nfs/dbraw/zinc/93/63/31/939936331.db2.gz NSQQCMDXPRETBV-UHFFFAOYSA-N 0 3 351.447 3.720 20 5 FHBDHN CCOc1ccc(NC(=O)CCN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411477831 940047509 /nfs/dbraw/zinc/04/75/09/940047509.db2.gz DCSRLLPLVZJTRY-CQSZACIVSA-N 0 3 357.410 3.673 20 5 FHBDHN Cc1ccccc1CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472441159 940142638 /nfs/dbraw/zinc/14/26/38/940142638.db2.gz URGODRNGHPDBIX-UHFFFAOYSA-N 0 3 350.422 3.802 20 5 FHBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000431682556 940278039 /nfs/dbraw/zinc/27/80/39/940278039.db2.gz AVNGGPYSLUMVNB-PXNSSMCTSA-N 0 3 372.469 3.688 20 5 FHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580798507 940487672 /nfs/dbraw/zinc/48/76/72/940487672.db2.gz CFXXNSFALJBRJN-MRXNPFEDSA-N 0 3 369.465 3.509 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471440 941019643 /nfs/dbraw/zinc/01/96/43/941019643.db2.gz XLBRUAXEBFACSV-YADHBBJMSA-N 0 3 362.429 3.877 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOC[C@H]2CCOC2)c2ccccc2)c1 ZINC000180604898 941052513 /nfs/dbraw/zinc/05/25/13/941052513.db2.gz ZNMZEBKAWYRDDV-UTKZUKDTSA-N 0 3 370.449 3.717 20 5 FHBDHN CSc1cccc(C(=O)Nc2cc(CN(C)C)ccc2C)c1[N+](=O)[O-] ZINC000188963217 941134513 /nfs/dbraw/zinc/13/45/13/941134513.db2.gz MXVNFMMKHPSHSX-UHFFFAOYSA-N 0 3 359.451 3.939 20 5 FHBDHN C[C@H](NC[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388770 941148636 /nfs/dbraw/zinc/14/86/36/941148636.db2.gz GSBIYDBGQMBLFU-ZBEGNZNMSA-N 0 3 365.227 3.742 20 5 FHBDHN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181537943 941538598 /nfs/dbraw/zinc/53/85/98/941538598.db2.gz SMEDBFLIQFHWHV-KGLIPLIRSA-N 0 3 352.394 3.927 20 5 FHBDHN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1ccccc1 ZINC000181537921 941538743 /nfs/dbraw/zinc/53/87/43/941538743.db2.gz SMEDBFLIQFHWHV-UONOGXRCSA-N 0 3 352.394 3.927 20 5 FHBDHN CCOC(=O)c1cc(NC[C@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000433689690 941842213 /nfs/dbraw/zinc/84/22/13/941842213.db2.gz KBPSAHWODCBQGL-QGZVFWFLSA-N 0 3 373.409 3.614 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](Cc3ccccc3)C3CC3)n2)cc1 ZINC000181553766 941980319 /nfs/dbraw/zinc/98/03/19/941980319.db2.gz ODZWCKJRUWNIJY-GOSISDBHSA-N 0 3 364.405 3.756 20 5 FHBDHN Cc1cc(NC(=O)C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182855915 941982262 /nfs/dbraw/zinc/98/22/62/941982262.db2.gz OHAOHUAKZJHNLL-AWEZNQCLSA-N 0 3 372.425 3.611 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513526275 941996377 /nfs/dbraw/zinc/99/63/77/941996377.db2.gz TWSFKZDQZYPTKJ-UHFFFAOYSA-N 0 3 368.865 3.978 20 5 FHBDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000433945491 942007860 /nfs/dbraw/zinc/00/78/60/942007860.db2.gz HNAXHBXBBDQISS-AZUAARDMSA-N 0 3 372.469 3.945 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000501127875 942313482 /nfs/dbraw/zinc/31/34/82/942313482.db2.gz GPRBDBDCQOCUHF-INIZCTEOSA-N 0 3 362.455 3.861 20 5 FHBDHN COc1ccc(-c2ccc(CN3CC[C@@H](O)CC34CCC4)o2)c([N+](=O)[O-])c1 ZINC000421370532 942522146 /nfs/dbraw/zinc/52/21/46/942522146.db2.gz JRAFISIWYXOTAN-CQSZACIVSA-N 0 3 372.421 3.743 20 5 FHBDHN Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630308 942754370 /nfs/dbraw/zinc/75/43/70/942754370.db2.gz LJBNCJJUZIBLDR-LSDHHAIUSA-N 0 3 370.405 3.740 20 5 FHBDHN CC(C)c1ccc(CNCCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000434783781 942962915 /nfs/dbraw/zinc/96/29/15/942962915.db2.gz IFKWAJYWSNSRIR-UHFFFAOYSA-N 0 3 352.328 3.725 20 5 FHBDHN COc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000425231659 943024097 /nfs/dbraw/zinc/02/40/97/943024097.db2.gz DUNKOZUDUKONKE-CYBMUJFWSA-N 0 3 374.416 3.775 20 5 FHBDHN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505602928 943150816 /nfs/dbraw/zinc/15/08/16/943150816.db2.gz BERDRWWVQRXQCP-PXAZEXFGSA-N 0 3 361.829 3.669 20 5 FHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047970960 943230145 /nfs/dbraw/zinc/23/01/45/943230145.db2.gz XVGWRABLNARCIW-UHFFFAOYSA-N 0 3 368.437 3.643 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](n4ccnn4)C3)s2)cc1 ZINC000425349007 943351899 /nfs/dbraw/zinc/35/18/99/943351899.db2.gz KAWXFSDBCAMHSY-MRXNPFEDSA-N 0 3 369.450 3.752 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccnc1-n1cccn1)CCCC2 ZINC000417326131 943518001 /nfs/dbraw/zinc/51/80/01/943518001.db2.gz QZTXDXBPYODJQW-IBGZPJMESA-N 0 3 363.421 3.733 20 5 FHBDHN CO[C@](C)([C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425477001 944072582 /nfs/dbraw/zinc/07/25/82/944072582.db2.gz NUFZDTUUEOYHBE-ZUZCIYMTSA-N 0 3 357.248 3.651 20 5 FHBDHN O=C(CCN1CCSC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500115842 944121228 /nfs/dbraw/zinc/12/12/28/944121228.db2.gz MNNHBRDUEMABEX-SFHVURJKSA-N 0 3 371.462 3.714 20 5 FHBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376472 944246043 /nfs/dbraw/zinc/24/60/43/944246043.db2.gz HUWLGEYRIHQRQA-UYAOXDASSA-N 0 3 374.437 3.511 20 5 FHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505844003 944411916 /nfs/dbraw/zinc/41/19/16/944411916.db2.gz CRPOKQMRXVUZMK-KALAYHLKSA-N 0 3 368.433 3.512 20 5 FHBDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439262064 944479395 /nfs/dbraw/zinc/47/93/95/944479395.db2.gz TWYCUHDNENGSPL-FQEVSTJZSA-N 0 3 358.438 3.767 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000843757849 944544000 /nfs/dbraw/zinc/54/40/00/944544000.db2.gz FVLFXQCLIBOXKW-GOSISDBHSA-N 0 3 371.412 3.609 20 5 FHBDHN O=[N+]([O-])c1ccn(C2CCN(CCCc3c(F)cccc3Cl)CC2)n1 ZINC000426003446 944583948 /nfs/dbraw/zinc/58/39/48/944583948.db2.gz SDVLXZBCRUPDRB-UHFFFAOYSA-N 0 3 366.824 3.854 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507599323 944663559 /nfs/dbraw/zinc/66/35/59/944663559.db2.gz XBEGFPOATQHMPL-DZGCQCFKSA-N 0 3 373.840 3.814 20 5 FHBDHN Cc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278901 944774715 /nfs/dbraw/zinc/77/47/15/944774715.db2.gz CKSLUBVUUINLSC-CRAIPNDOSA-N 0 3 368.437 3.860 20 5 FHBDHN Cc1c(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000506306334 944888905 /nfs/dbraw/zinc/88/89/05/944888905.db2.gz BDVFHDQJYIONRQ-NVXWUHKLSA-N 0 3 368.437 3.860 20 5 FHBDHN Cc1c(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000506306335 944889350 /nfs/dbraw/zinc/88/93/50/944889350.db2.gz BDVFHDQJYIONRQ-WBVHZDCISA-N 0 3 368.437 3.860 20 5 FHBDHN C[C@@H](O)[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706891 945480350 /nfs/dbraw/zinc/48/03/50/945480350.db2.gz ZXTWIPIRONIZAH-WBVHZDCISA-N 0 3 355.438 3.565 20 5 FHBDHN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCOCC2)cc1F ZINC000444017201 945727230 /nfs/dbraw/zinc/72/72/30/945727230.db2.gz PLELYVZKWRKQNW-UHFFFAOYSA-N 0 3 374.412 3.846 20 5 FHBDHN Cc1c(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000111707234 946514745 /nfs/dbraw/zinc/51/47/45/946514745.db2.gz PNYUTUKRYMXARM-CQSZACIVSA-N 0 3 356.426 3.545 20 5 FHBDHN COc1ccc(-c2ccc(CNCCOCC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000237288048 946535886 /nfs/dbraw/zinc/53/58/86/946535886.db2.gz QGZZOPKLLMURHA-UHFFFAOYSA-N 0 3 374.315 3.532 20 5 FHBDHN CC(=O)c1cc(N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000323980180 946749485 /nfs/dbraw/zinc/74/94/85/946749485.db2.gz DZPJGXLPJUNCAO-INIZCTEOSA-N 0 3 367.449 3.756 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000843771475 946927926 /nfs/dbraw/zinc/92/79/26/946927926.db2.gz KZPFXRDAQZCJBB-HOCLYGCPSA-N 0 3 371.412 3.608 20 5 FHBDHN CCOc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1[N+](=O)[O-] ZINC000072839662 947570425 /nfs/dbraw/zinc/57/04/25/947570425.db2.gz RFUWMARBYMKAQK-UHFFFAOYSA-N 0 3 357.410 3.616 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)c(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000613884735 947696497 /nfs/dbraw/zinc/69/64/97/947696497.db2.gz YZQWWZWQHXCMHT-LLVKDONJSA-N 0 3 360.241 3.567 20 5 FHBDHN CCOCCOCc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266856257 948032832 /nfs/dbraw/zinc/03/28/32/948032832.db2.gz KADUZNWKLKANNO-INIZCTEOSA-N 0 3 358.438 3.999 20 5 FHBDHN CCc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126286500 948059598 /nfs/dbraw/zinc/05/95/98/948059598.db2.gz QKZAEHDHAMHWNN-IBGZPJMESA-N 0 3 367.449 3.552 20 5 FHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032217019 948150920 /nfs/dbraw/zinc/15/09/20/948150920.db2.gz ZTFOMTMCHWNCKY-SFHVURJKSA-N 0 3 373.840 3.815 20 5 FHBDHN CC1(C)C[C@@H](NCc2cccnc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279010501 948395035 /nfs/dbraw/zinc/39/50/35/948395035.db2.gz GWGGSVBRNRUQOQ-GOSISDBHSA-N 0 3 363.421 3.688 20 5 FHBDHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000452865214 567833598 /nfs/dbraw/zinc/83/35/98/567833598.db2.gz WRDDJIPMMPCVGI-IBGZPJMESA-N 0 3 367.449 3.676 20 5 FHBDHN COC1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602573877 567996413 /nfs/dbraw/zinc/99/64/13/567996413.db2.gz WKBYCQAUFJIGRH-UHFFFAOYSA-N 0 3 363.277 3.714 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602887570 568006231 /nfs/dbraw/zinc/00/62/31/568006231.db2.gz OCNMMDGVVIOHOT-HNNXBMFYSA-N 0 3 364.405 3.536 20 5 FHBDHN COc1cc(CN2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341105 568031977 /nfs/dbraw/zinc/03/19/77/568031977.db2.gz OYQGUCWWXNAGET-LBPRGKRZSA-N 0 3 358.385 3.725 20 5 FHBDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000568448370 568039329 /nfs/dbraw/zinc/03/93/29/568039329.db2.gz IOWMYBMINORMKJ-MRXNPFEDSA-N 0 3 371.437 3.593 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCCN2CCCN(c3ccccc3)CC2)cc1 ZINC000302926170 568243956 /nfs/dbraw/zinc/24/39/56/568243956.db2.gz AOFCPZQHGZQMSY-UHFFFAOYSA-N 0 3 355.438 3.576 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000569219205 568313419 /nfs/dbraw/zinc/31/34/19/568313419.db2.gz ZEPDPWKNXBVGNP-FDQLTWNHSA-N 0 3 368.433 3.618 20 5 FHBDHN COC[C@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889118 568611757 /nfs/dbraw/zinc/61/17/57/568611757.db2.gz JROOOTLGDWQAAN-KKSFZXQISA-N 0 3 370.449 3.668 20 5 FHBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164624676 719055010 /nfs/dbraw/zinc/05/50/10/719055010.db2.gz OUGUICJUVQIIQE-MAUKXSAKSA-N 0 3 372.856 3.744 20 5 FHBDHN CC1(C)[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCO[C@@H]21 ZINC000153934562 927564971 /nfs/dbraw/zinc/56/49/71/927564971.db2.gz YGSSLFSMOZCVIE-OAGGEKHMSA-N 0 3 359.451 3.621 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000728550009 937178810 /nfs/dbraw/zinc/17/88/10/937178810.db2.gz QSXYVHKHPHOUQN-XFXZXTDPSA-N 0 3 367.449 3.507 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000728550006 937178874 /nfs/dbraw/zinc/17/88/74/937178874.db2.gz QSXYVHKHPHOUQN-FMIVXFBMSA-N 0 3 367.449 3.507 20 5 FHBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000579993621 929789307 /nfs/dbraw/zinc/78/93/07/929789307.db2.gz OIEGOSUAZBJCEV-HNNXBMFYSA-N 0 3 361.467 3.756 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)cc1 ZINC000175876827 930143720 /nfs/dbraw/zinc/14/37/20/930143720.db2.gz QAVBQYGVRVWDEV-INIZCTEOSA-N 0 3 361.829 3.589 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)CC(F)(F)F)s1 ZINC000536005766 937387931 /nfs/dbraw/zinc/38/79/31/937387931.db2.gz LLJSDJMHMONESZ-JTQLQIEISA-N 0 3 360.357 3.726 20 5 FHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000580132847 930292062 /nfs/dbraw/zinc/29/20/62/930292062.db2.gz GOWSNLPWRCUMHZ-IBGZPJMESA-N 0 3 370.453 3.890 20 5 FHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000580132848 930292193 /nfs/dbraw/zinc/29/21/93/930292193.db2.gz GOWSNLPWRCUMHZ-LJQANCHMSA-N 0 3 370.453 3.890 20 5 FHBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000537029290 930773469 /nfs/dbraw/zinc/77/34/69/930773469.db2.gz OKTLWQXIHNDDLQ-QGZVFWFLSA-N 0 3 373.840 3.878 20 5 FHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610451892 931018577 /nfs/dbraw/zinc/01/85/77/931018577.db2.gz MIRKFRUFWVOAGO-INIZCTEOSA-N 0 3 357.429 3.830 20 5 FHBDHN CCS[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175873485 931423221 /nfs/dbraw/zinc/42/32/21/931423221.db2.gz ORTLDCMCEPEXLR-CVEARBPZSA-N 0 3 352.456 3.615 20 5 FHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610475820 931545577 /nfs/dbraw/zinc/54/55/77/931545577.db2.gz VFRDQDONWGTXLJ-MRXNPFEDSA-N 0 3 368.437 3.723 20 5 FHBDHN COc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)c1 ZINC000074726135 933076790 /nfs/dbraw/zinc/07/67/90/933076790.db2.gz FUDPOMMMXCNVTI-GOSISDBHSA-N 0 3 356.426 3.556 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000072064372 935264499 /nfs/dbraw/zinc/26/44/99/935264499.db2.gz YLRDKKMIVCXPBD-UHFFFAOYSA-N 0 3 369.465 3.540 20 5 FHBDHN COc1cc(C[NH2+]CCc2cc3ccccc3s2)c([N+](=O)[O-])cc1[O-] ZINC000582170018 935368906 /nfs/dbraw/zinc/36/89/06/935368906.db2.gz LQAYUOJOAYJGTF-UHFFFAOYSA-N 0 3 358.419 3.856 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC[C@@H]2C)n1 ZINC000611617006 935815704 /nfs/dbraw/zinc/81/57/04/935815704.db2.gz VPJDULBQNBHEMB-KRWDZBQOSA-N 0 3 354.454 3.707 20 5 FHBDHN CCc1ccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000176683220 935843877 /nfs/dbraw/zinc/84/38/77/935843877.db2.gz QOVFDWRJNCDCRG-SFHVURJKSA-N 0 3 373.428 3.637 20 5 FHBDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000277876558 936076399 /nfs/dbraw/zinc/07/63/99/936076399.db2.gz CEMMSPXKJWZFNY-LSDHHAIUSA-N 0 3 363.461 3.648 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000179320530 939079989 /nfs/dbraw/zinc/07/99/89/939079989.db2.gz QRLPFCHCSRHDDM-UHFFFAOYSA-N 0 3 369.465 3.842 20 5 FHBDHN Cc1c(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000065857544 939988175 /nfs/dbraw/zinc/98/81/75/939988175.db2.gz QZBISWFGVKUWKX-MRXNPFEDSA-N 0 3 371.412 3.893 20 5 FHBDHN C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000411453857 940049603 /nfs/dbraw/zinc/04/96/03/940049603.db2.gz JZKWZJGKMCSTDR-YWZLYKJASA-N 0 3 367.449 3.829 20 5 FHBDHN CC(C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236635193 940099540 /nfs/dbraw/zinc/09/95/40/940099540.db2.gz YARBWBXTKPALOG-UHFFFAOYSA-N 0 3 365.817 3.513 20 5 FHBDHN CN(c1ccccc1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065956060 940106778 /nfs/dbraw/zinc/10/67/78/940106778.db2.gz IWFGGOFSOIVRGN-UHFFFAOYSA-N 0 3 355.438 3.574 20 5 FHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000124474741 945302346 /nfs/dbraw/zinc/30/23/46/945302346.db2.gz BGXAYWKHWRLGHK-SGMGOOAPSA-N 0 3 373.375 3.941 20 5 FHBDHN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459158 940478259 /nfs/dbraw/zinc/47/82/59/940478259.db2.gz FDHPIHWMFOVECZ-HNAYVOBHSA-N 0 3 357.454 3.865 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NCCCOC2CCOCC2)c2ccccc2)c1 ZINC000180916427 941092329 /nfs/dbraw/zinc/09/23/29/941092329.db2.gz YSOXYMYKZWICPN-OAQYLSRUSA-N 0 3 370.449 3.860 20 5 FHBDHN Cc1cccc2c1OCC[C@H]2N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189374682 941157900 /nfs/dbraw/zinc/15/79/00/941157900.db2.gz GNECXDFFZINXRZ-KBXCAEBGSA-N 0 3 369.421 3.734 20 5 FHBDHN CN(C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578486 941267515 /nfs/dbraw/zinc/26/75/15/941267515.db2.gz FFLQNIAGWYQOOO-AWEZNQCLSA-N 0 3 354.332 3.723 20 5 FHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311495633 941314639 /nfs/dbraw/zinc/31/46/39/941314639.db2.gz VQJTXPATTIQGEI-INIZCTEOSA-N 0 3 373.840 3.595 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163711990 941613044 /nfs/dbraw/zinc/61/30/44/941613044.db2.gz IDVCEHLTQJMIBY-QGZVFWFLSA-N 0 3 369.465 3.586 20 5 FHBDHN Cc1ccc([C@H](C)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163712122 941614045 /nfs/dbraw/zinc/61/40/45/941614045.db2.gz IDVCEHLTQJMIBY-KRWDZBQOSA-N 0 3 369.465 3.586 20 5 FHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182334969 941736266 /nfs/dbraw/zinc/73/62/66/941736266.db2.gz PHBBNJVBYXOZDL-KGLIPLIRSA-N 0 3 357.410 3.590 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000091856041 941793642 /nfs/dbraw/zinc/79/36/42/941793642.db2.gz GVBFRMSTRKDSHX-FUHWJXTLSA-N 0 3 360.435 3.561 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C1CCCCC1 ZINC000513407096 941901383 /nfs/dbraw/zinc/90/13/83/941901383.db2.gz BDWXEXCWBMMSJP-QGZVFWFLSA-N 0 3 361.442 3.587 20 5 FHBDHN Cn1cc(CN2CCCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513723792 942115163 /nfs/dbraw/zinc/11/51/63/942115163.db2.gz ANRHUJGMARXRBB-UHFFFAOYSA-N 0 3 362.433 3.944 20 5 FHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000051212838 942257878 /nfs/dbraw/zinc/25/78/78/942257878.db2.gz QKEUKDNXIIUOFA-UHFFFAOYSA-N 0 3 352.337 3.707 20 5 FHBDHN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000501102949 942308574 /nfs/dbraw/zinc/30/85/74/942308574.db2.gz VCQUQLSWSZPRSJ-UHFFFAOYSA-N 0 3 359.401 3.973 20 5 FHBDHN COCc1nccc([C@@H]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507412 942836252 /nfs/dbraw/zinc/83/62/52/942836252.db2.gz UWVNTSLXVBOBFB-JKSUJKDBSA-N 0 3 370.453 3.780 20 5 FHBDHN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000505574831 943063277 /nfs/dbraw/zinc/06/32/77/943063277.db2.gz LUULZZUTCKPPDD-HNAYVOBHSA-N 0 3 369.465 3.680 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)o2)c1 ZINC000435055204 943127450 /nfs/dbraw/zinc/12/74/50/943127450.db2.gz GXDKWXCKKYIMDN-LJQANCHMSA-N 0 3 365.389 3.903 20 5 FHBDHN COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000435783013 943767982 /nfs/dbraw/zinc/76/79/82/943767982.db2.gz SKUOGYQJHOYZFE-NNUKFRKNSA-N 0 3 362.813 3.998 20 5 FHBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000500069613 944052622 /nfs/dbraw/zinc/05/26/22/944052622.db2.gz ISDZTBXJDGBVPP-YOEHRIQHSA-N 0 3 357.410 3.990 20 5 FHBDHN Cc1cc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473788360 944467073 /nfs/dbraw/zinc/46/70/73/944467073.db2.gz QQGYHWSXYWUJKR-HNNXBMFYSA-N 0 3 356.426 3.545 20 5 FHBDHN O=[N+]([O-])c1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000007094463 944890394 /nfs/dbraw/zinc/89/03/94/944890394.db2.gz GJXRMRBLHNFGJW-UHFFFAOYSA-N 0 3 370.478 3.546 20 5 FHBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000111178721 946379407 /nfs/dbraw/zinc/37/94/07/946379407.db2.gz UWYLGIWDFNYMPY-LJQANCHMSA-N 0 3 370.453 3.946 20 5 FHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001126120532 946397868 /nfs/dbraw/zinc/39/78/68/946397868.db2.gz FUNMFFJKIHHYEW-HNNXBMFYSA-N 0 3 374.824 3.984 20 5 FHBDHN CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126133069 946566191 /nfs/dbraw/zinc/56/61/91/946566191.db2.gz BMQBCQZGRNONGE-MRXNPFEDSA-N 0 3 369.465 3.969 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700360 946583627 /nfs/dbraw/zinc/58/36/27/946583627.db2.gz YQCPOPRDMGTWRM-HXUWFJFHSA-N 0 3 353.422 3.973 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475339700 946907999 /nfs/dbraw/zinc/90/79/99/946907999.db2.gz RIXFBGUNPZBSIF-CZUORRHYSA-N 0 3 360.385 3.874 20 5 FHBDHN NC(=O)c1ccc(CN2CCC[C@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000481361472 567818606 /nfs/dbraw/zinc/81/86/06/567818606.db2.gz RQJXIWDVESCCBX-AWEZNQCLSA-N 0 3 371.412 3.603 20 5 FHBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCCSC2)cc1Br ZINC000602662231 568012739 /nfs/dbraw/zinc/01/27/39/568012739.db2.gz MGHWVRBXCSTAME-MRVPVSSYSA-N 0 3 351.291 3.652 20 5 FHBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200082 568075988 /nfs/dbraw/zinc/07/59/88/568075988.db2.gz MYDPPFUDEYNGEV-GJZGRUSLSA-N 0 3 368.437 3.926 20 5 FHBDHN COc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000481684198 568089059 /nfs/dbraw/zinc/08/90/59/568089059.db2.gz KMWDXDOSQLPTGA-SFHVURJKSA-N 0 3 356.426 3.556 20 5 FHBDHN COc1cc(C)c(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000302935507 568244931 /nfs/dbraw/zinc/24/49/31/568244931.db2.gz GBSISQOQLXMLBA-UHFFFAOYSA-N 0 3 374.437 3.821 20 5 FHBDHN CN(C)c1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2n1 ZINC000569000146 568266055 /nfs/dbraw/zinc/26/60/55/568266055.db2.gz CCCAYGGITDGMIU-GOSISDBHSA-N 0 3 362.433 3.986 20 5 FHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNC(C)(C)C(C)(C)O)cc1OC ZINC000541989111 568301605 /nfs/dbraw/zinc/30/16/05/568301605.db2.gz RVBVCVXIGGJBRK-CYBMUJFWSA-N 0 3 368.474 3.667 20 5 FHBDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255682 568321022 /nfs/dbraw/zinc/32/10/22/568321022.db2.gz CSIPUMKSOWQWMD-ABAIWWIYSA-N 0 3 374.466 3.824 20 5 FHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCc1nc(C(F)(F)F)cs1 ZINC000569707861 568413244 /nfs/dbraw/zinc/41/32/44/568413244.db2.gz DEEXVHQSVIOCJX-NSHDSACASA-N 0 3 357.357 3.890 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)CCC2 ZINC000570890425 568612582 /nfs/dbraw/zinc/61/25/82/568612582.db2.gz QYVCUMPQKKDLGT-HBMCJLEFSA-N 0 3 352.434 3.728 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000579791371 927533683 /nfs/dbraw/zinc/53/36/83/927533683.db2.gz MFZHCZJMJZEUFX-UHFFFAOYSA-N 0 3 361.829 3.729 20 5 FHBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1F)C1CCCCC1 ZINC000535624745 929230537 /nfs/dbraw/zinc/23/05/37/929230537.db2.gz YNIJELWMYQUHIE-UHFFFAOYSA-N 0 3 373.428 3.731 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000247289396 931088242 /nfs/dbraw/zinc/08/82/42/931088242.db2.gz ZASZDWAABGYXCU-SJLPKXTDSA-N 0 3 360.435 3.561 20 5 FHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OCc2ccccc2)CC1 ZINC000051181927 932534518 /nfs/dbraw/zinc/53/45/18/932534518.db2.gz NDDMGHHTZJVMRF-UHFFFAOYSA-N 0 3 356.422 3.655 20 5 FHBDHN CC[C@H](NC[C@@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804521 934440050 /nfs/dbraw/zinc/44/00/50/934440050.db2.gz WZZJXCLZBGPERM-MOPGFXCFSA-N 0 3 358.438 3.692 20 5 FHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000065208622 934667072 /nfs/dbraw/zinc/66/70/72/934667072.db2.gz QZBFTARAAXUOII-UHFFFAOYSA-N 0 3 352.337 3.707 20 5 FHBDHN COc1cc(CN(C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000119593904 934907969 /nfs/dbraw/zinc/90/79/69/934907969.db2.gz HGYTWIUVBHAGIK-UHFFFAOYSA-N 0 3 374.384 3.594 20 5 FHBDHN CCn1nc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000472065263 934924148 /nfs/dbraw/zinc/92/41/48/934924148.db2.gz WIAGCZAGKYSAOQ-UHFFFAOYSA-N 0 3 358.829 3.950 20 5 FHBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C)cc1 ZINC000539251957 935111591 /nfs/dbraw/zinc/11/15/91/935111591.db2.gz GQENYHPESGNHBT-GOSISDBHSA-N 0 3 353.422 3.533 20 5 FHBDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921107 935332567 /nfs/dbraw/zinc/33/25/67/935332567.db2.gz RLSQZICCPBASSZ-QMTHXVAHSA-N 0 3 369.849 3.511 20 5 FHBDHN COc1ccc(CN(C)C[C@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582693761 935952701 /nfs/dbraw/zinc/95/27/01/935952701.db2.gz WXXAGJPUEMXVGH-HNNXBMFYSA-N 0 3 374.437 3.649 20 5 FHBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000277876543 936076113 /nfs/dbraw/zinc/07/61/13/936076113.db2.gz CEMMSPXKJWZFNY-GJZGRUSLSA-N 0 3 363.461 3.648 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750168 938520822 /nfs/dbraw/zinc/52/08/22/938520822.db2.gz BAQONVYFQOZPQF-KEYYUXOJSA-N 0 3 374.441 3.677 20 5 FHBDHN Cn1cc(CN2CCC[C@H]2c2cccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179704126 939924151 /nfs/dbraw/zinc/92/41/51/939924151.db2.gz LOBYWDGPYKAEKC-IBGZPJMESA-N 0 3 365.437 3.671 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065857475 939987180 /nfs/dbraw/zinc/98/71/80/939987180.db2.gz RDSQSOZAXMSCIK-MRXNPFEDSA-N 0 3 371.412 3.893 20 5 FHBDHN CCOc1ccc(NC(=O)CN[C@H](CC)c2ccccc2)c([N+](=O)[O-])c1 ZINC000411877554 940151404 /nfs/dbraw/zinc/15/14/04/940151404.db2.gz DEOGCUALMHZLGA-MRXNPFEDSA-N 0 3 357.410 3.673 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000066434579 940486906 /nfs/dbraw/zinc/48/69/06/940486906.db2.gz XLGXZVVMNOBKEV-GOSISDBHSA-N 0 3 350.365 3.817 20 5 FHBDHN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353672 941029860 /nfs/dbraw/zinc/02/98/60/941029860.db2.gz ZAFYPDKNCRGUGD-OLZOCXBDSA-N 0 3 361.467 3.887 20 5 FHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000452077551 941064172 /nfs/dbraw/zinc/06/41/72/941064172.db2.gz DPSIWQFPVQRXLH-ZIAGYGMSSA-N 0 3 357.410 3.590 20 5 FHBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510539 941159454 /nfs/dbraw/zinc/15/94/54/941159454.db2.gz RNLBEVNBXPETGG-CABCVRRESA-N 0 3 371.890 3.841 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189717937 941267221 /nfs/dbraw/zinc/26/72/21/941267221.db2.gz DVNQTRJCFAOATO-QFBILLFUSA-N 0 3 368.437 3.779 20 5 FHBDHN CC(C)(C)OC(=O)N1CCC(C)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000190006324 941339711 /nfs/dbraw/zinc/33/97/11/941339711.db2.gz QCGWTVPEXHUWTF-UHFFFAOYSA-N 0 3 355.460 3.536 20 5 FHBDHN Cc1c([C@H](C)NCc2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720583 941661291 /nfs/dbraw/zinc/66/12/91/941661291.db2.gz OBYPQNCRXZXHRG-KRWDZBQOSA-N 0 3 369.465 3.586 20 5 FHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)c1ccccc1 ZINC000517536094 941947405 /nfs/dbraw/zinc/94/74/05/941947405.db2.gz RMDTUFWRGMYMOW-ZDUSSCGKSA-N 0 3 365.380 3.811 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000182660228 941949631 /nfs/dbraw/zinc/94/96/31/941949631.db2.gz NJKDRHGNCMEJSC-WBVHZDCISA-N 0 3 373.497 3.935 20 5 FHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000102693179 942083459 /nfs/dbraw/zinc/08/34/59/942083459.db2.gz XDAWSTRJZGXSMH-HXUWFJFHSA-N 0 3 371.437 3.837 20 5 FHBDHN CCN1CCc2c(cccc2NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000378212188 942398273 /nfs/dbraw/zinc/39/82/73/942398273.db2.gz NWNZVGORRJJOAE-UHFFFAOYSA-N 0 3 361.348 3.503 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1C ZINC001269735156 942445015 /nfs/dbraw/zinc/44/50/15/942445015.db2.gz VEQPAWBJGYQXCX-KXBFYZLASA-N 0 3 355.438 3.633 20 5 FHBDHN Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000366548986 942578674 /nfs/dbraw/zinc/57/86/74/942578674.db2.gz XTGCQZLDKHABBD-UHFFFAOYSA-N 0 3 358.364 3.515 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104701857 942618920 /nfs/dbraw/zinc/61/89/20/942618920.db2.gz HQTQOYBNODFHEN-FQEVSTJZSA-N 0 3 369.421 3.673 20 5 FHBDHN CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000413303838 942638852 /nfs/dbraw/zinc/63/88/52/942638852.db2.gz RBJSQFHLOKNYET-KRWDZBQOSA-N 0 3 362.405 3.631 20 5 FHBDHN COCc1nccc([C@@H]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507411 942836166 /nfs/dbraw/zinc/83/61/66/942836166.db2.gz UWVNTSLXVBOBFB-HZPDHXFCSA-N 0 3 370.453 3.780 20 5 FHBDHN COc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000425242536 943052657 /nfs/dbraw/zinc/05/26/57/943052657.db2.gz RUNIKDSMEFKCQV-CYBMUJFWSA-N 0 3 374.416 3.775 20 5 FHBDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455482 943191716 /nfs/dbraw/zinc/19/17/16/943191716.db2.gz UFLQXNSWKWEPHI-VCTAVGKDSA-N 0 3 371.890 3.839 20 5 FHBDHN COc1cccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000505642125 943281334 /nfs/dbraw/zinc/28/13/34/943281334.db2.gz YHPIBIWNMOTLSX-UHFFFAOYSA-N 0 3 366.421 3.636 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)CC1 ZINC000505793496 944197960 /nfs/dbraw/zinc/19/79/60/944197960.db2.gz URSGFLVGQAICIB-UHFFFAOYSA-N 0 3 365.499 3.559 20 5 FHBDHN COc1cc(CN(C)CC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506497135 944381539 /nfs/dbraw/zinc/38/15/39/944381539.db2.gz VBHNABSQUKBQKU-UHFFFAOYSA-N 0 3 350.337 3.632 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3Cc4ccccc4O3)o2)c1 ZINC000517545160 944392259 /nfs/dbraw/zinc/39/22/59/944392259.db2.gz GBGMTUBUDWTOGI-SFHVURJKSA-N 0 3 350.374 3.948 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000110355448 944455763 /nfs/dbraw/zinc/45/57/63/944455763.db2.gz DSVZQHUKULCLRS-AWEZNQCLSA-N 0 3 373.478 3.567 20 5 FHBDHN CCOc1ccc([C@@H](C)NCCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000426328541 944469745 /nfs/dbraw/zinc/46/97/45/944469745.db2.gz CYQDNOXMRHDBDT-GFCCVEGCSA-N 0 3 364.471 3.862 20 5 FHBDHN CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000438339272 944520011 /nfs/dbraw/zinc/52/00/11/944520011.db2.gz NBUCGXOBXJSZKI-UHFFFAOYSA-N 0 3 355.438 3.567 20 5 FHBDHN COc1cc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(F)cn1 ZINC000517768894 944576823 /nfs/dbraw/zinc/57/68/23/944576823.db2.gz TURCUMUDPBRMTQ-JTQLQIEISA-N 0 3 353.781 3.684 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053749270 944853182 /nfs/dbraw/zinc/85/31/82/944853182.db2.gz OGFFDDHMQVIXOR-YOEHRIQHSA-N 0 3 354.410 3.552 20 5 FHBDHN COc1cc(CN(C)CCOc2ccccc2[N+](=O)[O-])ccc1SC ZINC000507695143 945458853 /nfs/dbraw/zinc/45/88/53/945458853.db2.gz SJORGUMTSWGCFG-UHFFFAOYSA-N 0 3 362.451 3.836 20 5 FHBDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344601 946493558 /nfs/dbraw/zinc/49/35/58/946493558.db2.gz IWMLTNZXGFFXHP-LXGCGDOSSA-N 0 3 374.412 3.557 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000475575220 946723895 /nfs/dbraw/zinc/72/38/95/946723895.db2.gz QNJGFUSYSQUCDU-MRXNPFEDSA-N 0 3 370.453 3.854 20 5 FHBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(F)(F)F ZINC000894978354 946766924 /nfs/dbraw/zinc/76/69/24/946766924.db2.gz KOIBZBVRVVKPOS-UHFFFAOYSA-N 0 3 357.288 3.521 20 5 FHBDHN O=[N+]([O-])c1cc(CNCc2ncccc2O)ccc1Oc1ccc(F)cc1 ZINC000475335075 946902876 /nfs/dbraw/zinc/90/28/76/946902876.db2.gz QZMFJTQTZYJLRR-UHFFFAOYSA-N 0 3 369.352 3.917 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000843771476 946927749 /nfs/dbraw/zinc/92/77/49/946927749.db2.gz KZPFXRDAQZCJBB-ZBFHGGJFSA-N 0 3 371.412 3.608 20 5 FHBDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491311 947140834 /nfs/dbraw/zinc/14/08/34/947140834.db2.gz QPXBQDMTZUEKOS-ZFWWWQNUSA-N 0 3 372.396 3.978 20 5 FHBDHN COc1ccc(C2(NCc3cccc([N+](=O)[O-])c3C)CCOCC2)cc1F ZINC000444821634 947235887 /nfs/dbraw/zinc/23/58/87/947235887.db2.gz ZWILYEQGGVMHCP-UHFFFAOYSA-N 0 3 374.412 3.846 20 5 FHBDHN Cc1c(CN(C[C@@H](O)COc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000444820919 947255793 /nfs/dbraw/zinc/25/57/93/947255793.db2.gz XFXUKHLBKDLJEN-GOSISDBHSA-N 0 3 358.438 3.554 20 5 FHBDHN C[C@@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000536336909 947533163 /nfs/dbraw/zinc/53/31/63/947533163.db2.gz QGSFFSBILUURHN-CQSZACIVSA-N 0 3 360.357 3.726 20 5 FHBDHN COc1ccc([C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000121554835 947748548 /nfs/dbraw/zinc/74/85/48/947748548.db2.gz COBMSQZFWHEGFK-HXUWFJFHSA-N 0 3 371.437 3.553 20 5 FHBDHN COc1ccc(OCCN2CCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441489924 947972299 /nfs/dbraw/zinc/97/22/99/947972299.db2.gz PIHOQWLOWCZDEU-QGZVFWFLSA-N 0 3 372.421 3.828 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCNCc2cc(Br)ccc2F)cc1 ZINC000314886525 948046508 /nfs/dbraw/zinc/04/65/08/948046508.db2.gz IKUAUOJHOUKVFW-UHFFFAOYSA-N 0 3 369.190 3.665 20 5 FHBDHN C[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)c1nccs1 ZINC000602612086 567997600 /nfs/dbraw/zinc/99/76/00/567997600.db2.gz GHAMDSHNOQFOOG-ZETCQYMHSA-N 0 3 362.274 3.769 20 5 FHBDHN COCCC[C@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647627 568004426 /nfs/dbraw/zinc/00/44/26/568004426.db2.gz ITOVWDZIQHGYMY-MRXNPFEDSA-N 0 3 369.421 3.864 20 5 FHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)Cc1ccccc1 ZINC000568306278 568018185 /nfs/dbraw/zinc/01/81/85/568018185.db2.gz XOKKKODHVOEGFX-KRWDZBQOSA-N 0 3 366.417 3.890 20 5 FHBDHN CCOc1ccc(NC(=O)CNC(C)(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000568539095 568048642 /nfs/dbraw/zinc/04/86/42/568048642.db2.gz RVDBZCVYMJNTNA-UHFFFAOYSA-N 0 3 371.437 3.765 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000481833642 568147804 /nfs/dbraw/zinc/14/78/04/568147804.db2.gz DSHLCYUBYVCPBE-JSGCOSHPSA-N 0 3 360.385 3.874 20 5 FHBDHN Cc1cnn([C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000569310223 568361637 /nfs/dbraw/zinc/36/16/37/568361637.db2.gz IKCZVYXOZXONMQ-QGZVFWFLSA-N 0 3 352.394 3.807 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000120077811 927076356 /nfs/dbraw/zinc/07/63/56/927076356.db2.gz JLSHKIGELLDEFD-UHFFFAOYSA-N 0 3 370.453 3.807 20 5 FHBDHN CC[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000535810285 927769158 /nfs/dbraw/zinc/76/91/58/927769158.db2.gz BOOOBWONVHBRJP-JXFKEZNVSA-N 0 3 355.438 3.565 20 5 FHBDHN CC(C)N(Cc1cn(C)nc1-c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154463625 928852835 /nfs/dbraw/zinc/85/28/35/928852835.db2.gz ZPBHYCZNFGQIRR-UHFFFAOYSA-N 0 3 365.437 3.801 20 5 FHBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000319292536 930453398 /nfs/dbraw/zinc/45/33/98/930453398.db2.gz HTABNQSAMBXPDZ-UHFFFAOYSA-N 0 3 365.227 3.698 20 5 FHBDHN O=[N+]([O-])c1sccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000610915131 932929986 /nfs/dbraw/zinc/92/99/86/932929986.db2.gz LLGOOUAHFGTHDV-UHFFFAOYSA-N 0 3 365.430 3.751 20 5 FHBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808897 934875801 /nfs/dbraw/zinc/87/58/01/934875801.db2.gz FCGMEGINDMJUPG-KRWDZBQOSA-N 0 3 368.437 3.553 20 5 FHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(F)c1 ZINC000024107877 934947058 /nfs/dbraw/zinc/94/70/58/934947058.db2.gz ZHMBVXSKKZDFJH-LJQANCHMSA-N 0 3 354.385 3.997 20 5 FHBDHN CC[C@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051625 935092713 /nfs/dbraw/zinc/09/27/13/935092713.db2.gz RXSXKNDPBUACPO-MJGOQNOKSA-N 0 3 368.437 3.942 20 5 FHBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000539248563 935110337 /nfs/dbraw/zinc/11/03/37/935110337.db2.gz VVOUXLFMOCOVCT-GFCCVEGCSA-N 0 3 352.337 3.926 20 5 FHBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccn1 ZINC000119857723 935298478 /nfs/dbraw/zinc/29/84/78/935298478.db2.gz MFNSFKJVDVLGLU-UHFFFAOYSA-N 0 3 352.394 3.709 20 5 FHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)nc1 ZINC000511104125 935581144 /nfs/dbraw/zinc/58/11/44/935581144.db2.gz GNHLGBBNPDOCRI-UHFFFAOYSA-N 0 3 369.343 3.605 20 5 FHBDHN Cc1c(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001167618852 936140076 /nfs/dbraw/zinc/14/00/76/936140076.db2.gz HJFGLUYGSBSLQA-UHFFFAOYSA-N 0 3 365.474 3.886 20 5 FHBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000179012218 938488672 /nfs/dbraw/zinc/48/86/72/938488672.db2.gz IKMWVIFYXWPGPC-SJORKVTESA-N 0 3 374.828 3.815 20 5 FHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453369 945183688 /nfs/dbraw/zinc/18/36/88/945183688.db2.gz NEEFIUBKJFGCPH-CYBMUJFWSA-N 0 3 359.451 3.776 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000179037686 938576866 /nfs/dbraw/zinc/57/68/66/938576866.db2.gz ZSPILJHYYTXOOS-UHFFFAOYSA-N 0 3 368.437 3.853 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000584383772 938786650 /nfs/dbraw/zinc/78/66/50/938786650.db2.gz PMJQACRRRFWRCV-UHFFFAOYSA-N 0 3 359.401 3.712 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611935123 938993013 /nfs/dbraw/zinc/99/30/13/938993013.db2.gz KQUUUTCEOSSHLG-HXUWFJFHSA-N 0 3 369.465 3.920 20 5 FHBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000472351504 939014420 /nfs/dbraw/zinc/01/44/20/939014420.db2.gz SQDWFAGQFRISGH-WNYOCNMUSA-N 0 3 374.412 3.557 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518462 939876470 /nfs/dbraw/zinc/87/64/70/939876470.db2.gz YTSSKPGYOMZYJG-ZDUSSCGKSA-N 0 3 361.833 3.623 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179518462 939876473 /nfs/dbraw/zinc/87/64/73/939876473.db2.gz YTSSKPGYOMZYJG-ZDUSSCGKSA-N 0 3 361.833 3.623 20 5 FHBDHN CCOc1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196604 940080391 /nfs/dbraw/zinc/08/03/91/940080391.db2.gz AYYLPXNPHYMJOE-PXNSSMCTSA-N 0 3 356.422 3.861 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411998698 940180301 /nfs/dbraw/zinc/18/03/01/940180301.db2.gz LNHMUUKNOXNRHB-FQEVSTJZSA-N 0 3 368.433 3.827 20 5 FHBDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782650912 940304004 /nfs/dbraw/zinc/30/40/04/940304004.db2.gz JMTUOMJJRHURTG-NSHDSACASA-N 0 3 367.755 3.753 20 5 FHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnccc1C(C)(C)C ZINC000414233677 940810980 /nfs/dbraw/zinc/81/09/80/940810980.db2.gz RPRMPELYDADRDF-AWEZNQCLSA-N 0 3 370.453 3.794 20 5 FHBDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000310870101 940962668 /nfs/dbraw/zinc/96/26/68/940962668.db2.gz ZIHRSEWTHWYFRG-GOSISDBHSA-N 0 3 351.447 3.624 20 5 FHBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595606 941213803 /nfs/dbraw/zinc/21/38/03/941213803.db2.gz DTZNRPCLCZHDIO-BXUZGUMPSA-N 0 3 366.767 3.821 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000729333245 941720840 /nfs/dbraw/zinc/72/08/40/941720840.db2.gz SSKNQOSLUKMTRO-RAXLEYEMSA-N 0 3 359.470 3.579 20 5 FHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182335002 941736875 /nfs/dbraw/zinc/73/68/75/941736875.db2.gz PHBBNJVBYXOZDL-ZIAGYGMSSA-N 0 3 357.410 3.590 20 5 FHBDHN O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1F ZINC000377647775 941867903 /nfs/dbraw/zinc/86/79/03/941867903.db2.gz SRXHCTHHWYMWKC-HOCLYGCPSA-N 0 3 364.804 3.595 20 5 FHBDHN COc1ccccc1O[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000513392650 941888626 /nfs/dbraw/zinc/88/86/26/941888626.db2.gz VLELKPSRABAXHO-SFHVURJKSA-N 0 3 356.422 3.689 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000182660191 941949313 /nfs/dbraw/zinc/94/93/13/941949313.db2.gz NJKDRHGNCMEJSC-RDJZCZTQSA-N 0 3 373.497 3.935 20 5 FHBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543327 942004290 /nfs/dbraw/zinc/00/42/90/942004290.db2.gz RNPLEADGOOVNSE-IAQYHMDHSA-N 0 3 364.377 3.578 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1C ZINC001125865661 942285424 /nfs/dbraw/zinc/28/54/24/942285424.db2.gz SYSQZFOLWURJMA-UHFFFAOYSA-N 0 3 373.428 3.555 20 5 FHBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000501127877 942313855 /nfs/dbraw/zinc/31/38/55/942313855.db2.gz GPRBDBDCQOCUHF-MRXNPFEDSA-N 0 3 362.455 3.861 20 5 FHBDHN CC(C)[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504149 942482181 /nfs/dbraw/zinc/48/21/81/942482181.db2.gz YTMWFHKIXLNLKH-OALUTQOASA-N 0 3 371.412 3.826 20 5 FHBDHN CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434743906 942935096 /nfs/dbraw/zinc/93/50/96/942935096.db2.gz GPTVEAXXMDDIGR-KXBFYZLASA-N 0 3 374.872 3.768 20 5 FHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099223 942988434 /nfs/dbraw/zinc/98/84/34/942988434.db2.gz NOHWANYDTDSPQS-GDBMZVCRSA-N 0 3 359.426 3.664 20 5 FHBDHN COc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425235762 943033221 /nfs/dbraw/zinc/03/32/21/943033221.db2.gz IWHYKKWVCZFFMU-CQSZACIVSA-N 0 3 356.426 3.636 20 5 FHBDHN CCc1nn(C)c(S[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425276140 943150058 /nfs/dbraw/zinc/15/00/58/943150058.db2.gz CZESELQNPRXDDH-OAHLLOKOSA-N 0 3 360.483 3.647 20 5 FHBDHN CNC(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417326814 943517960 /nfs/dbraw/zinc/51/79/60/943517960.db2.gz RSDNSEBFCDAPRN-IBGZPJMESA-N 0 3 353.422 3.512 20 5 FHBDHN CCO[C@H]1C[C@](CO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390396 944259588 /nfs/dbraw/zinc/25/95/88/944259588.db2.gz OZEMNVZCGWTYTO-AZUAARDMSA-N 0 3 374.437 3.511 20 5 FHBDHN CC(=O)c1cc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000383074615 944708061 /nfs/dbraw/zinc/70/80/61/944708061.db2.gz SWTAUCGJJFQWOJ-SFHVURJKSA-N 0 3 367.449 3.756 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000506281865 944788091 /nfs/dbraw/zinc/78/80/91/944788091.db2.gz MVKUROAMVQSBBP-NVXWUHKLSA-N 0 3 368.437 3.860 20 5 FHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000437098885 945018236 /nfs/dbraw/zinc/01/82/36/945018236.db2.gz STNGDOUFGSBJTL-YVEFUNNKSA-N 0 3 373.384 3.564 20 5 FHBDHN CC[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751137 945647106 /nfs/dbraw/zinc/64/71/06/945647106.db2.gz RNLQGEDKFMWKEN-LIRRHRJNSA-N 0 3 351.410 3.977 20 5 FHBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479708 945732589 /nfs/dbraw/zinc/73/25/89/945732589.db2.gz CHGFDRSHEYQHNN-QGZVFWFLSA-N 0 3 363.458 3.816 20 5 FHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000444613303 947040125 /nfs/dbraw/zinc/04/01/25/947040125.db2.gz WDTOXCYNDNVCSJ-CQSZACIVSA-N 0 3 368.437 3.933 20 5 FHBDHN O=C(NC1CC1)[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151825198 947302855 /nfs/dbraw/zinc/30/28/55/947302855.db2.gz GHFDKORBDLNYOX-HXUWFJFHSA-N 0 3 367.449 3.527 20 5 FHBDHN COc1ccc(OC)c(CN(CCc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000523702145 947527893 /nfs/dbraw/zinc/52/78/93/947527893.db2.gz YYBCIHVGLIUGAL-UHFFFAOYSA-N 0 3 356.422 3.819 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)c(NC2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000613884741 947696797 /nfs/dbraw/zinc/69/67/97/947696797.db2.gz YZQWWZWQHXCMHT-NSHDSACASA-N 0 3 360.241 3.567 20 5 FHBDHN Cc1c(NC(=O)CCN2CCC(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000585755705 948268584 /nfs/dbraw/zinc/26/85/84/948268584.db2.gz AEYVMTCONHFWBJ-UHFFFAOYSA-N 0 3 373.375 3.896 20 5 FHBDHN CC1(C)C[C@@H](NCc2cccc(-n3cncn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279134990 948541094 /nfs/dbraw/zinc/54/10/94/948541094.db2.gz RHNMERIVDGBGDQ-LJQANCHMSA-N 0 3 363.421 3.688 20 5 FHBDHN O=C1OCCC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000359877558 210193990 /nfs/dbraw/zinc/19/39/90/210193990.db2.gz QCPLKNYMQYDQJU-UHFFFAOYSA-N 0 3 372.446 3.852 20 5 FHBDHN COCCOCc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000291164776 568066523 /nfs/dbraw/zinc/06/65/23/568066523.db2.gz JJSCSQVTVKAMSJ-OAQYLSRUSA-N 0 3 370.449 3.925 20 5 FHBDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255683 568321019 /nfs/dbraw/zinc/32/10/19/568321019.db2.gz CSIPUMKSOWQWMD-IAQYHMDHSA-N 0 3 374.466 3.824 20 5 FHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Oc2cnccn2)cc1 ZINC000570760559 568519897 /nfs/dbraw/zinc/51/98/97/568519897.db2.gz KRJSHGMFCQYTHW-UHFFFAOYSA-N 0 3 364.405 3.852 20 5 FHBDHN COC[C@@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889117 568611580 /nfs/dbraw/zinc/61/15/80/568611580.db2.gz JROOOTLGDWQAAN-IIBYNOLFSA-N 0 3 370.449 3.668 20 5 FHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCN(C2CCCC2)CC1 ZINC001165033383 721861965 /nfs/dbraw/zinc/86/19/65/721861965.db2.gz LPXHCYCSMMOAMJ-UHFFFAOYSA-N 0 3 360.845 3.861 20 5 FHBDHN CC1(C)[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCO[C@@H]21 ZINC000153934785 927566944 /nfs/dbraw/zinc/56/69/44/927566944.db2.gz YGSSLFSMOZCVIE-XHSDSOJGSA-N 0 3 359.451 3.621 20 5 FHBDHN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156276 928146512 /nfs/dbraw/zinc/14/65/12/928146512.db2.gz JUCISHOOFRCQDG-HOTGVXAUSA-N 0 3 368.437 3.710 20 5 FHBDHN COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000302009544 928204624 /nfs/dbraw/zinc/20/46/24/928204624.db2.gz AETPSVDJTKVHRK-PMACEKPBSA-N 0 3 353.422 3.993 20 5 FHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294687 929355086 /nfs/dbraw/zinc/35/50/86/929355086.db2.gz BLFKUKXVPKGCQL-HZPDHXFCSA-N 0 3 353.422 3.641 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296407 929399342 /nfs/dbraw/zinc/39/93/42/929399342.db2.gz JBTIHIORUVJLNY-WBVHZDCISA-N 0 3 353.422 3.641 20 5 FHBDHN Cc1ccc2nc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2c1 ZINC000560366032 929774037 /nfs/dbraw/zinc/77/40/37/929774037.db2.gz SKJLOXVPHDTRQF-SFHVURJKSA-N 0 3 350.422 3.662 20 5 FHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463034472 930184150 /nfs/dbraw/zinc/18/41/50/930184150.db2.gz OQILJGPZHBYCAQ-KXAJWGBNSA-N 0 3 366.461 3.925 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383286 931811749 /nfs/dbraw/zinc/81/17/49/931811749.db2.gz ZYVBGQMUKDZMQA-QAPCUYQASA-N 0 3 356.401 3.693 20 5 FHBDHN Cc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000127175756 931863782 /nfs/dbraw/zinc/86/37/82/931863782.db2.gz NPPXZNRZTPZVRO-OAHLLOKOSA-N 0 3 351.410 3.677 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000561590396 932759630 /nfs/dbraw/zinc/75/96/30/932759630.db2.gz JKZBQUNDEHSGGP-YJBOKZPZSA-N 0 3 368.437 3.688 20 5 FHBDHN CC(C)(NCc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000610575122 933157949 /nfs/dbraw/zinc/15/79/49/933157949.db2.gz DXZLJNIHZUXXAK-UHFFFAOYSA-N 0 3 353.422 3.512 20 5 FHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000588447230 933174790 /nfs/dbraw/zinc/17/47/90/933174790.db2.gz WNNWBJQSXCLXKA-HJPMFFMGSA-N 0 3 365.433 3.560 20 5 FHBDHN COc1ccc([C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000510779892 933718986 /nfs/dbraw/zinc/71/89/86/933718986.db2.gz PXZFRLSJYYWMQF-IBGZPJMESA-N 0 3 371.437 3.837 20 5 FHBDHN CN(CCOc1cccc(Cl)c1)CCOc1ccccc1[N+](=O)[O-] ZINC000501436868 933844957 /nfs/dbraw/zinc/84/49/57/933844957.db2.gz OTXHJSUGDZZGHD-UHFFFAOYSA-N 0 3 350.802 3.638 20 5 FHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(F)cc1F ZINC000538194183 934807843 /nfs/dbraw/zinc/80/78/43/934807843.db2.gz KNIUNBVOQPLQJM-VXGBXAGGSA-N 0 3 363.364 3.941 20 5 FHBDHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000538389859 934836941 /nfs/dbraw/zinc/83/69/41/934836941.db2.gz JRTHTZLQNQNWFQ-LIRRHRJNSA-N 0 3 353.422 3.971 20 5 FHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000084381490 934847686 /nfs/dbraw/zinc/84/76/86/934847686.db2.gz POQVYLAILWJRJR-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN CC1CCN([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006494 935201257 /nfs/dbraw/zinc/20/12/57/935201257.db2.gz GEDRUDGFRFMWQJ-HXUWFJFHSA-N 0 3 367.449 3.798 20 5 FHBDHN O=[N+]([O-])c1ccccc1CNCCOc1cccc(Br)c1 ZINC000050015676 935745286 /nfs/dbraw/zinc/74/52/86/935745286.db2.gz GDJFXFJJJWCHMA-UHFFFAOYSA-N 0 3 351.200 3.526 20 5 FHBDHN Cc1ccc([C@H](C)NCc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC000151327965 945135600 /nfs/dbraw/zinc/13/56/00/945135600.db2.gz IBTPWUHKVXQFHV-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CC(C)c1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000075756532 936018984 /nfs/dbraw/zinc/01/89/84/936018984.db2.gz CQHRIPLZCCXDQZ-UHFFFAOYSA-N 0 3 365.437 3.648 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(F)cc1 ZINC000583888329 938467541 /nfs/dbraw/zinc/46/75/41/938467541.db2.gz IDYCSYZOSGKQGG-CVEARBPZSA-N 0 3 364.442 3.928 20 5 FHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453368 945183828 /nfs/dbraw/zinc/18/38/28/945183828.db2.gz NEEFIUBKJFGCPH-ZDUSSCGKSA-N 0 3 359.451 3.776 20 5 FHBDHN C[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000187593262 938994848 /nfs/dbraw/zinc/99/48/48/938994848.db2.gz MTKNFCRUBGWWKK-AWEZNQCLSA-N 0 3 361.442 3.813 20 5 FHBDHN NC(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000102420618 939018588 /nfs/dbraw/zinc/01/85/88/939018588.db2.gz AIXQPDIZUBIWKX-UHFFFAOYSA-N 0 3 367.430 3.712 20 5 FHBDHN Cc1cccc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000612172537 939188449 /nfs/dbraw/zinc/18/84/49/939188449.db2.gz ZDGBJWCLTJSYGM-MRXNPFEDSA-N 0 3 354.406 3.759 20 5 FHBDHN Cc1ccc(C(=O)NCCNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F ZINC000518269763 945274753 /nfs/dbraw/zinc/27/47/53/945274753.db2.gz MMOBLOZYZBZEHY-UHFFFAOYSA-N 0 3 373.428 3.685 20 5 FHBDHN COc1cc(CN(C)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179797794 939938407 /nfs/dbraw/zinc/93/84/07/939938407.db2.gz LIDZWFCHYIBEAJ-UHFFFAOYSA-N 0 3 362.348 3.919 20 5 FHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1nnc2n1CCCCC2 ZINC000364444453 939942279 /nfs/dbraw/zinc/94/22/79/939942279.db2.gz MOGDRIHVWYPJFI-HUUCEWRRSA-N 0 3 357.458 3.585 20 5 FHBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410849825 939965365 /nfs/dbraw/zinc/96/53/65/939965365.db2.gz AGYMZGFSMULMFF-UHFFFAOYSA-N 0 3 373.375 3.562 20 5 FHBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000062368705 940027763 /nfs/dbraw/zinc/02/77/63/940027763.db2.gz ODEVTLATONUSJN-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN COc1ccc(NC(=O)CCN([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000411394511 940037330 /nfs/dbraw/zinc/03/73/30/940037330.db2.gz UGWIKPCTGUPOIT-CYBMUJFWSA-N 0 3 373.409 3.751 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NCCCOC[C@H]2CCCO2)c2ccccc2)c1 ZINC000180022271 940250036 /nfs/dbraw/zinc/25/00/36/940250036.db2.gz QTOJHNMSDJAKQO-NHCUHLMSSA-N 0 3 370.449 3.860 20 5 FHBDHN CCCCOc1ncccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827127 940486506 /nfs/dbraw/zinc/48/65/06/940486506.db2.gz ICVRIHILJULVPG-SJORKVTESA-N 0 3 373.457 3.639 20 5 FHBDHN C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000174179967 940712445 /nfs/dbraw/zinc/71/24/45/940712445.db2.gz DIRGMQWZZKDSHY-INIZCTEOSA-N 0 3 368.437 3.723 20 5 FHBDHN C[C@H](C1CC1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000582565520 940732594 /nfs/dbraw/zinc/73/25/94/940732594.db2.gz AOXDKAJUXYFZND-MRXNPFEDSA-N 0 3 367.449 3.858 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180366303 940989276 /nfs/dbraw/zinc/98/92/76/940989276.db2.gz ZJTVVINJOUYUON-UHFFFAOYSA-N 0 3 365.336 3.510 20 5 FHBDHN C[C@H](NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180452811 941018201 /nfs/dbraw/zinc/01/82/01/941018201.db2.gz MZUUEJIZMSXRLF-NYSBEXSLSA-N 0 3 370.449 3.701 20 5 FHBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353673 941029690 /nfs/dbraw/zinc/02/96/90/941029690.db2.gz ZAFYPDKNCRGUGD-QWHCGFSZSA-N 0 3 361.467 3.887 20 5 FHBDHN O=C(NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000180930564 941093689 /nfs/dbraw/zinc/09/36/89/941093689.db2.gz XSEBZYHOOQHNMC-FQEVSTJZSA-N 0 3 367.449 3.580 20 5 FHBDHN Cc1cccc2c1OCC[C@H]2N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189374702 941157916 /nfs/dbraw/zinc/15/79/16/941157916.db2.gz GNECXDFFZINXRZ-RDTXWAMCSA-N 0 3 369.421 3.734 20 5 FHBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1C(F)(F)F ZINC000414450576 941160245 /nfs/dbraw/zinc/16/02/45/941160245.db2.gz XZHKUNJWJGAEGF-UHFFFAOYSA-N 0 3 368.359 3.956 20 5 FHBDHN CN(C)[C@H](CNc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578487 941267709 /nfs/dbraw/zinc/26/77/09/941267709.db2.gz FFLQNIAGWYQOOO-CQSZACIVSA-N 0 3 354.332 3.723 20 5 FHBDHN O=C(CCCNCc1ccc(Cl)cc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000892978123 941828853 /nfs/dbraw/zinc/82/88/53/941828853.db2.gz ZDIMHVSKCFPWPY-UHFFFAOYSA-N 0 3 373.840 3.660 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000182720496 941961884 /nfs/dbraw/zinc/96/18/84/941961884.db2.gz PXGZTSPJTVGPAK-HOTGVXAUSA-N 0 3 361.486 3.837 20 5 FHBDHN C[C@@]1(CCCO)CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290343574 941969642 /nfs/dbraw/zinc/96/96/42/941969642.db2.gz FOPWBHWHHMSEHE-SFHVURJKSA-N 0 3 361.467 3.845 20 5 FHBDHN Cc1ccc(Sc2ccc(CNC[C@@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513649329 942054608 /nfs/dbraw/zinc/05/46/08/942054608.db2.gz WSKBJBIRCAFCBE-MRXNPFEDSA-N 0 3 374.462 3.559 20 5 FHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)N1CCCc2ccccc21 ZINC000468629683 942059902 /nfs/dbraw/zinc/05/99/02/942059902.db2.gz VOSNHWSBAGHVSN-VBKFSLOCSA-N 0 3 365.433 3.567 20 5 FHBDHN CN(Cc1csc2ccccc12)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000502002499 942164084 /nfs/dbraw/zinc/16/40/84/942164084.db2.gz PUDOTWFZMHDLKI-MRXNPFEDSA-N 0 3 372.446 3.681 20 5 FHBDHN CO[C@@]1(C)CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572646 942209534 /nfs/dbraw/zinc/20/95/34/942209534.db2.gz SCIMHMYOSYWRNW-UGSOOPFHSA-N 0 3 360.414 3.597 20 5 FHBDHN CO[C@@]1(C)CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572638 942209663 /nfs/dbraw/zinc/20/96/63/942209663.db2.gz SCIMHMYOSYWRNW-ACJLOTCBSA-N 0 3 360.414 3.597 20 5 FHBDHN Cc1c(C(=O)N(CCCc2ccccc2)CCN(C)C)cccc1[N+](=O)[O-] ZINC000502359810 942379124 /nfs/dbraw/zinc/37/91/24/942379124.db2.gz IBZBVZFNZRWUFU-UHFFFAOYSA-N 0 3 369.465 3.540 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000421241722 942451627 /nfs/dbraw/zinc/45/16/27/942451627.db2.gz JQWIPVLQNABTQW-UHFFFAOYSA-N 0 3 352.394 3.990 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000413938277 942805489 /nfs/dbraw/zinc/80/54/89/942805489.db2.gz KWHVPMRZTMVRKD-UHFFFAOYSA-N 0 3 359.401 3.973 20 5 FHBDHN COCc1nccc([C@H]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507409 942835894 /nfs/dbraw/zinc/83/58/94/942835894.db2.gz UWVNTSLXVBOBFB-CVEARBPZSA-N 0 3 370.453 3.780 20 5 FHBDHN COc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000434738143 942931506 /nfs/dbraw/zinc/93/15/06/942931506.db2.gz RIWLUDYVJKHKQG-UHFFFAOYSA-N 0 3 370.453 3.516 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000031987286 943002670 /nfs/dbraw/zinc/00/26/70/943002670.db2.gz APDPNRNLNBNGIC-LBPRGKRZSA-N 0 3 353.469 3.531 20 5 FHBDHN C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000434910868 943046636 /nfs/dbraw/zinc/04/66/36/943046636.db2.gz WJVPVQZZZYLENP-OAQYLSRUSA-N 0 3 367.449 3.539 20 5 FHBDHN COc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000425242537 943052215 /nfs/dbraw/zinc/05/22/15/943052215.db2.gz RUNIKDSMEFKCQV-ZDUSSCGKSA-N 0 3 374.416 3.775 20 5 FHBDHN COC1CCC(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425404520 943573583 /nfs/dbraw/zinc/57/35/83/943573583.db2.gz LRMHFMWNQAYAGO-UHFFFAOYSA-N 0 3 357.248 3.747 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCOc2cccc(Br)c2)cc1 ZINC000048446827 943877497 /nfs/dbraw/zinc/87/74/97/943877497.db2.gz IEVUVFKQXMNQAN-UHFFFAOYSA-N 0 3 351.200 3.526 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cccnc1N(C)C ZINC000504911911 943908023 /nfs/dbraw/zinc/90/80/23/943908023.db2.gz NMIBJESTTDSCON-HNNXBMFYSA-N 0 3 360.483 3.716 20 5 FHBDHN Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912942 943909335 /nfs/dbraw/zinc/90/93/35/943909335.db2.gz ABZCELBBFXOUGX-GOSISDBHSA-N 0 3 368.437 3.689 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000518430084 944374534 /nfs/dbraw/zinc/37/45/34/944374534.db2.gz AFFOJSCNKWILQL-RHSMWYFYSA-N 0 3 354.410 3.552 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000506182323 944388916 /nfs/dbraw/zinc/38/89/16/944388916.db2.gz JKBHEVPRLAFDQY-UHFFFAOYSA-N 0 3 365.499 3.653 20 5 FHBDHN Cc1cc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789232 944469024 /nfs/dbraw/zinc/46/90/24/944469024.db2.gz RTDBPIHMKOOCLY-CRAIPNDOSA-N 0 3 368.437 3.860 20 5 FHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000843740415 944472312 /nfs/dbraw/zinc/47/23/12/944472312.db2.gz WWXDNDWWOQEODI-AZUAARDMSA-N 0 3 365.433 3.660 20 5 FHBDHN CCC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124627 944473668 /nfs/dbraw/zinc/47/36/68/944473668.db2.gz XSULGLWZCZMWGG-UXHICEINSA-N 0 3 369.465 3.725 20 5 FHBDHN CC(C)COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000426001598 944583395 /nfs/dbraw/zinc/58/33/95/944583395.db2.gz YGJCXRDMSXUZDQ-UHFFFAOYSA-N 0 3 358.442 3.663 20 5 FHBDHN CC(=O)c1cc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000383074614 944707896 /nfs/dbraw/zinc/70/78/96/944707896.db2.gz SWTAUCGJJFQWOJ-GOSISDBHSA-N 0 3 367.449 3.756 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000506281869 944788335 /nfs/dbraw/zinc/78/83/35/944788335.db2.gz MVKUROAMVQSBBP-WBVHZDCISA-N 0 3 368.437 3.860 20 5 FHBDHN COc1cc(CN2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000506675120 944966773 /nfs/dbraw/zinc/96/67/73/944966773.db2.gz KDNYQBCNHDWICG-KRWDZBQOSA-N 0 3 356.422 3.819 20 5 FHBDHN COc1ccc(CNCCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511751367 945013907 /nfs/dbraw/zinc/01/39/07/945013907.db2.gz ABPLABIIFOFAAM-UHFFFAOYSA-N 0 3 365.227 3.698 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(C)cccc2C1 ZINC000729479827 945702168 /nfs/dbraw/zinc/70/21/68/945702168.db2.gz GCFYDPZCEAHYSL-UHFFFAOYSA-N 0 3 353.422 3.599 20 5 FHBDHN CN(CCCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1)Cc1ccco1 ZINC000519773791 945733257 /nfs/dbraw/zinc/73/32/57/945733257.db2.gz KCVSWRQAPURSCV-UHFFFAOYSA-N 0 3 354.410 3.694 20 5 FHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000454310132 945743888 /nfs/dbraw/zinc/74/38/88/945743888.db2.gz FWTBIKGFUCBRKN-MRXNPFEDSA-N 0 3 368.437 3.581 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000052877936 946015702 /nfs/dbraw/zinc/01/57/02/946015702.db2.gz XQIRTVMWOAETML-ZDUSSCGKSA-N 0 3 353.469 3.531 20 5 FHBDHN CC(C)c1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126133065 946565829 /nfs/dbraw/zinc/56/58/29/946565829.db2.gz BMQBCQZGRNONGE-INIZCTEOSA-N 0 3 369.465 3.969 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N(C)C)cc1 ZINC000475555156 946639831 /nfs/dbraw/zinc/63/98/31/946639831.db2.gz LCDKNOIGHGCDLF-LJQANCHMSA-N 0 3 370.453 3.944 20 5 FHBDHN COC(=O)COc1ccc(CN(C)[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580875 946746382 /nfs/dbraw/zinc/74/63/82/946746382.db2.gz GSBAALDLMLQGBG-OAHLLOKOSA-N 0 3 372.421 3.648 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000475361235 946952477 /nfs/dbraw/zinc/95/24/77/946952477.db2.gz FSHXZAHSXCTMIA-CXAGYDPISA-N 0 3 374.462 3.954 20 5 FHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444784666 947226618 /nfs/dbraw/zinc/22/66/18/947226618.db2.gz OKKGWMLPOVVVTQ-QGZVFWFLSA-N 0 3 354.450 3.973 20 5 FHBDHN COC1CCN(C2(CNc3c(F)cc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000440589629 947335900 /nfs/dbraw/zinc/33/59/00/947335900.db2.gz UPOMWVKBSVSONU-UHFFFAOYSA-N 0 3 369.412 3.709 20 5 FHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN(C)C ZINC000184652777 948066260 /nfs/dbraw/zinc/06/62/60/948066260.db2.gz PBQFPDRVDUQNCV-KRWDZBQOSA-N 0 3 369.465 3.542 20 5 FHBDHN COc1cccc([C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])N(C)C)c1 ZINC000432332533 948122447 /nfs/dbraw/zinc/12/24/47/948122447.db2.gz ZBUZAORTHIEVHJ-LJQANCHMSA-N 0 3 366.421 3.866 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)co2)cc1 ZINC000279251375 948660455 /nfs/dbraw/zinc/66/04/55/948660455.db2.gz LGNCEAFXYKNWBY-KURKYZTESA-N 0 3 369.421 3.687 20 5 FHBDHN O=C(c1ccccc1)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089601 210065162 /nfs/dbraw/zinc/06/51/62/210065162.db2.gz GJNNCMSJLFMPSG-GOSISDBHSA-N 0 3 365.433 3.500 20 5 FHBDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414151 567913556 /nfs/dbraw/zinc/91/35/56/567913556.db2.gz OEVMLQBTLVJKSX-WCQYABFASA-N 0 3 358.385 3.868 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000568139371 567932038 /nfs/dbraw/zinc/93/20/38/567932038.db2.gz FFFSDHUMBADKCF-UHFFFAOYSA-N 0 3 362.433 3.508 20 5 FHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCOC3(CCC3)C2)cc1Br ZINC000602566125 567995598 /nfs/dbraw/zinc/99/55/98/567995598.db2.gz DPWYELBOAQPFDO-SECBINFHSA-N 0 3 361.261 3.610 20 5 FHBDHN CCC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537964 568028605 /nfs/dbraw/zinc/02/86/05/568028605.db2.gz VWZYCWXQCJMRRJ-QUCCMNQESA-N 0 3 358.438 3.774 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1noc2c1CCCC2 ZINC000568446986 568039083 /nfs/dbraw/zinc/03/90/83/568039083.db2.gz XLOUPARTFQRBFB-RHSMWYFYSA-N 0 3 355.438 3.963 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1noc2c1CCCC2 ZINC000568446988 568039088 /nfs/dbraw/zinc/03/90/88/568039088.db2.gz XLOUPARTFQRBFB-YOEHRIQHSA-N 0 3 355.438 3.963 20 5 FHBDHN Cc1c(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000568977222 568257074 /nfs/dbraw/zinc/25/70/74/568257074.db2.gz QTJPCPCBVSEJTM-INIZCTEOSA-N 0 3 368.355 3.615 20 5 FHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000569519392 568404639 /nfs/dbraw/zinc/40/46/39/568404639.db2.gz VTIVINWYKFHTJT-FQEVSTJZSA-N 0 3 369.465 3.826 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471136925 927725740 /nfs/dbraw/zinc/72/57/40/927725740.db2.gz OIHIRSVULZFOMU-UZLBHIALSA-N 0 3 369.465 3.941 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000471136923 927726233 /nfs/dbraw/zinc/72/62/33/927726233.db2.gz OIHIRSVULZFOMU-OXQOHEQNSA-N 0 3 369.465 3.941 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296406 929398685 /nfs/dbraw/zinc/39/86/85/929398685.db2.gz JBTIHIORUVJLNY-RDJZCZTQSA-N 0 3 353.422 3.641 20 5 FHBDHN O=[N+]([O-])c1ccn(CCN2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000134855147 929406337 /nfs/dbraw/zinc/40/63/37/929406337.db2.gz QSGSQRQXYAOQJR-UHFFFAOYSA-N 0 3 366.874 3.701 20 5 FHBDHN Cc1ccc([C@H]2CCCCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000610004520 929772129 /nfs/dbraw/zinc/77/21/29/929772129.db2.gz PXFXXBZDRSLVOJ-PKOBYXMFSA-N 0 3 374.437 3.853 20 5 FHBDHN COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000579050823 929781808 /nfs/dbraw/zinc/78/18/08/929781808.db2.gz ANEFMTBRLXUIOY-ZYHUDNBSSA-N 0 3 362.348 3.767 20 5 FHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccc(F)cc1F ZINC000560910620 930240752 /nfs/dbraw/zinc/24/07/52/930240752.db2.gz KNIUNBVOQPLQJM-RYUDHWBXSA-N 0 3 363.364 3.941 20 5 FHBDHN CCc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471539399 930246387 /nfs/dbraw/zinc/24/63/87/930246387.db2.gz KWHGODVGZADNJS-IFXJQAMLSA-N 0 3 355.438 3.578 20 5 FHBDHN C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422085 930498573 /nfs/dbraw/zinc/49/85/73/930498573.db2.gz XEULFMMEMJFTLS-HNAYVOBHSA-N 0 3 350.422 3.963 20 5 FHBDHN CC(C)(C)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000064933048 930502832 /nfs/dbraw/zinc/50/28/32/930502832.db2.gz VVWFRBRBUJUDBW-FQEVSTJZSA-N 0 3 367.449 3.861 20 5 FHBDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872263 931397286 /nfs/dbraw/zinc/39/72/86/931397286.db2.gz UCRPHASUCHLTKQ-TZMCWYRMSA-N 0 3 359.451 3.643 20 5 FHBDHN CN(C(=O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879220 933357739 /nfs/dbraw/zinc/35/77/39/933357739.db2.gz MXWBXLVXWVZGDG-KOEDOTQGSA-N 0 3 365.433 3.593 20 5 FHBDHN CN1CCC(N(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000610666394 933700055 /nfs/dbraw/zinc/70/00/55/933700055.db2.gz IEGYIAZGZXWAKQ-UHFFFAOYSA-N 0 3 367.449 3.655 20 5 FHBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804510 934440158 /nfs/dbraw/zinc/44/01/58/934440158.db2.gz UXOMYWOVLMQCEG-IAGOWNOFSA-N 0 3 358.438 3.611 20 5 FHBDHN C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610827921 934501996 /nfs/dbraw/zinc/50/19/96/934501996.db2.gz DSYAIYMYNWYPGR-KXBFYZLASA-N 0 3 350.422 3.963 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(COc3ccccc3)CC2)cc1 ZINC000065223146 934734653 /nfs/dbraw/zinc/73/46/53/934734653.db2.gz QNDYOFLVPBGRCY-UHFFFAOYSA-N 0 3 356.422 3.765 20 5 FHBDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000119461044 934817142 /nfs/dbraw/zinc/81/71/42/934817142.db2.gz PGYYHNGMHGWJPP-AWEZNQCLSA-N 0 3 371.466 3.916 20 5 FHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000551229406 935224067 /nfs/dbraw/zinc/22/40/67/935224067.db2.gz XCQOFXJPYNIKTH-UHFFFAOYSA-N 0 3 365.227 3.868 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419498 935276127 /nfs/dbraw/zinc/27/61/27/935276127.db2.gz WVIUMGSEXBLMPW-RVKKMQEKSA-N 0 3 356.422 3.666 20 5 FHBDHN Cc1c(NC(=O)CCN2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511105863 935583291 /nfs/dbraw/zinc/58/32/91/935583291.db2.gz GMVBFMNCFVRMSB-UHFFFAOYSA-N 0 3 355.394 3.614 20 5 FHBDHN Cc1c(CN2CCC(c3ncc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000516757145 945207861 /nfs/dbraw/zinc/20/78/61/945207861.db2.gz SLVDVGHPAIBIDI-UHFFFAOYSA-N 0 3 354.454 3.816 20 5 FHBDHN Cc1c(CNCc2c[nH]nc2-c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000480448628 938942342 /nfs/dbraw/zinc/94/23/42/938942342.db2.gz YELPJYMQUNFMJD-UHFFFAOYSA-N 0 3 358.348 3.861 20 5 FHBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000472351503 939014426 /nfs/dbraw/zinc/01/44/26/939014426.db2.gz SQDWFAGQFRISGH-LXGCGDOSSA-N 0 3 374.412 3.557 20 5 FHBDHN COc1ccc(OCCN(C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000173712619 940662419 /nfs/dbraw/zinc/66/24/19/940662419.db2.gz SKOQRLUXNQGUNB-LBPRGKRZSA-N 0 3 365.455 3.749 20 5 FHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000613390060 940662498 /nfs/dbraw/zinc/66/24/98/940662498.db2.gz VWCPBGQBYXJBHY-BEFAXECRSA-N 0 3 358.438 3.636 20 5 FHBDHN CCc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237146748 945340632 /nfs/dbraw/zinc/34/06/32/945340632.db2.gz PJDZLBXJNOSZCU-UHFFFAOYSA-N 0 3 356.451 3.909 20 5 FHBDHN C[C@H](NC[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000180434049 941015368 /nfs/dbraw/zinc/01/53/68/941015368.db2.gz ZIDJDMGDOLIYAK-ZBEGNZNMSA-N 0 3 365.227 3.742 20 5 FHBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@@H]1O ZINC000190054779 941722539 /nfs/dbraw/zinc/72/25/39/941722539.db2.gz ZTCPBZKGERDIOX-ZBEGNZNMSA-N 0 3 350.802 3.711 20 5 FHBDHN CSC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120680379 941765859 /nfs/dbraw/zinc/76/58/59/941765859.db2.gz PMGXUJORUIUMDT-INIZCTEOSA-N 0 3 370.858 3.712 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](Cc3ccccc3)C3CC3)n2)cc1 ZINC000181553748 941979649 /nfs/dbraw/zinc/97/96/49/941979649.db2.gz ODZWCKJRUWNIJY-SFHVURJKSA-N 0 3 364.405 3.756 20 5 FHBDHN Cc1cc(NC(=O)C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182855895 941982287 /nfs/dbraw/zinc/98/22/87/941982287.db2.gz OHAOHUAKZJHNLL-CQSZACIVSA-N 0 3 372.425 3.611 20 5 FHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000549365742 942060172 /nfs/dbraw/zinc/06/01/72/942060172.db2.gz CCVFDRAJUWRFKD-RYUDHWBXSA-N 0 3 373.375 3.606 20 5 FHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@H]1C ZINC000549365740 942060448 /nfs/dbraw/zinc/06/04/48/942060448.db2.gz CCVFDRAJUWRFKD-NEPJUHHUSA-N 0 3 373.375 3.606 20 5 FHBDHN COc1ccc([C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1 ZINC000102693176 942083383 /nfs/dbraw/zinc/08/33/83/942083383.db2.gz NOEDRSMUGSNINB-FQEVSTJZSA-N 0 3 371.437 3.837 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCSC3CCCCC3)C2)nc1 ZINC000500984325 942246027 /nfs/dbraw/zinc/24/60/27/942246027.db2.gz LZOXDSVDZQTRKG-CQSZACIVSA-N 0 3 350.488 3.542 20 5 FHBDHN COc1ccc(CNCCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000237149906 942250002 /nfs/dbraw/zinc/25/00/02/942250002.db2.gz OUJDSEUKJIRTPR-UHFFFAOYSA-N 0 3 370.327 3.791 20 5 FHBDHN O=C(CCN[C@@H](CC(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420992955 942294298 /nfs/dbraw/zinc/29/42/98/942294298.db2.gz LLYMYHGGSLHYGV-HNNXBMFYSA-N 0 3 363.364 3.910 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000110247952 942348585 /nfs/dbraw/zinc/34/85/85/942348585.db2.gz QJGWDVIJPIIMFA-LJQANCHMSA-N 0 3 369.465 3.748 20 5 FHBDHN CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000501385418 942454099 /nfs/dbraw/zinc/45/40/99/942454099.db2.gz DHSZODAGZLVTJI-GOSISDBHSA-N 0 3 368.437 3.553 20 5 FHBDHN COc1cccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366537773 942541671 /nfs/dbraw/zinc/54/16/71/942541671.db2.gz MNFWIQUWPULFBK-UHFFFAOYSA-N 0 3 373.375 3.821 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434350071 942597807 /nfs/dbraw/zinc/59/78/07/942597807.db2.gz OORWTAFBCUARKX-IBGZPJMESA-N 0 3 374.485 3.532 20 5 FHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421709792 942763557 /nfs/dbraw/zinc/76/35/57/942763557.db2.gz HFYTVYLCXNEPHS-HNNXBMFYSA-N 0 3 365.499 3.653 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000378501877 942832247 /nfs/dbraw/zinc/83/22/47/942832247.db2.gz ZUWCKJFFSJEGLD-LPHOPBHVSA-N 0 3 371.481 3.689 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099228 942988727 /nfs/dbraw/zinc/98/87/27/942988727.db2.gz NOHWANYDTDSPQS-GOEBONIOSA-N 0 3 359.426 3.664 20 5 FHBDHN CCn1c(C)nc([N+](=O)[O-])c1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000425256582 943067778 /nfs/dbraw/zinc/06/77/78/943067778.db2.gz AIJOFEMLPFTGFK-INIZCTEOSA-N 0 3 360.483 3.876 20 5 FHBDHN CCn1nc(C)c([N+](=O)[O-])c1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000425285699 943190502 /nfs/dbraw/zinc/19/05/02/943190502.db2.gz TYUSAFHVCZQYHZ-INIZCTEOSA-N 0 3 360.483 3.876 20 5 FHBDHN Cc1c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001269933353 943307928 /nfs/dbraw/zinc/30/79/28/943307928.db2.gz VIDLIQDOLRCCOC-IBGZPJMESA-N 0 3 369.465 3.790 20 5 FHBDHN CN(C)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000503805922 943376502 /nfs/dbraw/zinc/37/65/02/943376502.db2.gz VPNJTDDIJKEPRR-UHFFFAOYSA-N 0 3 361.486 3.839 20 5 FHBDHN Cc1ccc(NC(=O)CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000425372368 943392079 /nfs/dbraw/zinc/39/20/79/943392079.db2.gz SKLJVUZDJBFVBZ-ZDUSSCGKSA-N 0 3 361.829 3.716 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)OCCO3)CCCC2 ZINC000417329535 943511590 /nfs/dbraw/zinc/51/15/90/943511590.db2.gz UPVNAJYIMBTBFK-GOSISDBHSA-N 0 3 354.406 3.923 20 5 FHBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000417346919 943527000 /nfs/dbraw/zinc/52/70/00/943527000.db2.gz GEYFQJIXPCRUHN-IYWMVGAKSA-N 0 3 370.453 3.567 20 5 FHBDHN Cc1c(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913349 943909609 /nfs/dbraw/zinc/90/96/09/943909609.db2.gz DRKQOXMEZUOVAP-QGZVFWFLSA-N 0 3 368.437 3.689 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2n1 ZINC000504925573 943922973 /nfs/dbraw/zinc/92/29/73/943922973.db2.gz DGZJGSIXKQEFKI-CQSZACIVSA-N 0 3 356.451 3.903 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2n1 ZINC000504925572 943923355 /nfs/dbraw/zinc/92/33/55/943923355.db2.gz DGZJGSIXKQEFKI-AWEZNQCLSA-N 0 3 356.451 3.903 20 5 FHBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)N2CCCC2)c1 ZINC000092582881 944031798 /nfs/dbraw/zinc/03/17/98/944031798.db2.gz ZRJNVUMEVQGDCH-GOSISDBHSA-N 0 3 356.426 3.556 20 5 FHBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000500069610 944052483 /nfs/dbraw/zinc/05/24/83/944052483.db2.gz ISDZTBXJDGBVPP-PBHICJAKSA-N 0 3 357.410 3.990 20 5 FHBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000382118475 944180844 /nfs/dbraw/zinc/18/08/44/944180844.db2.gz WHPUQBONQMIPHN-FZKQIMNGSA-N 0 3 373.840 3.641 20 5 FHBDHN CN(C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436309384 944205775 /nfs/dbraw/zinc/20/57/75/944205775.db2.gz OWFFDSHWUWAHBQ-ZDUSSCGKSA-N 0 3 372.322 3.863 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)o1 ZINC000500227410 944297287 /nfs/dbraw/zinc/29/72/87/944297287.db2.gz FRSOTACTILLQFD-MRXNPFEDSA-N 0 3 370.380 3.687 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000518430085 944374323 /nfs/dbraw/zinc/37/43/23/944374323.db2.gz AFFOJSCNKWILQL-WMLDXEAASA-N 0 3 354.410 3.552 20 5 FHBDHN COCC[C@@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000566708563 944659797 /nfs/dbraw/zinc/65/97/97/944659797.db2.gz NYUHHPXBPDKQFA-LBPRGKRZSA-N 0 3 368.817 3.649 20 5 FHBDHN Cc1ccc(C)c(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000517825953 944690795 /nfs/dbraw/zinc/69/07/95/944690795.db2.gz LAXOSJGHMFZLBC-FQEVSTJZSA-N 0 3 372.465 3.862 20 5 FHBDHN O=[N+]([O-])c1ccc2nc(N3CCN(CCc4cccs4)CC3)ccc2c1 ZINC000511734378 944967273 /nfs/dbraw/zinc/96/72/73/944967273.db2.gz MJWDDWKRVKFJGU-UHFFFAOYSA-N 0 3 368.462 3.569 20 5 FHBDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000516583915 945036903 /nfs/dbraw/zinc/03/69/03/945036903.db2.gz LVRJOPOARJVIGH-JFRXWTBNSA-N 0 3 370.453 3.566 20 5 FHBDHN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511762754 945051777 /nfs/dbraw/zinc/05/17/77/945051777.db2.gz OITFDMSKMRHOTP-HHXXYDBFSA-N 0 3 356.397 3.738 20 5 FHBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000522902466 946081776 /nfs/dbraw/zinc/08/17/76/946081776.db2.gz ZMNDJHDQAOHCJB-UHFFFAOYSA-N 0 3 360.845 3.744 20 5 FHBDHN Cc1ccoc1C(=O)NCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302200022 946173273 /nfs/dbraw/zinc/17/32/73/946173273.db2.gz UUSVPBYJSMRGPH-UHFFFAOYSA-N 0 3 368.393 3.585 20 5 FHBDHN O=[N+]([O-])c1cccc(CNCCOc2ccc(Br)cc2)c1 ZINC000052926279 946259192 /nfs/dbraw/zinc/25/91/92/946259192.db2.gz NXGPAZHDLRQWTK-UHFFFAOYSA-N 0 3 351.200 3.526 20 5 FHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OCC(F)F ZINC000441336139 946442899 /nfs/dbraw/zinc/44/28/99/946442899.db2.gz AULBOSFMESOIKG-NTUHNPAUSA-N 0 3 363.364 3.827 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)N1CCc2ccccc21 ZINC000507951679 946533137 /nfs/dbraw/zinc/53/31/37/946533137.db2.gz SABSTQCUXKHVDE-HNNXBMFYSA-N 0 3 355.438 3.534 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475561026 946666159 /nfs/dbraw/zinc/66/61/59/946666159.db2.gz XEQYYGKUTBRLCG-CZUORRHYSA-N 0 3 360.385 3.874 20 5 FHBDHN Cc1c([C@H](C)N[C@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862428 947069242 /nfs/dbraw/zinc/06/92/42/947069242.db2.gz GGRLTLBETJSADQ-HOCLYGCPSA-N 0 3 357.410 3.674 20 5 FHBDHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000549617751 948092536 /nfs/dbraw/zinc/09/25/36/948092536.db2.gz WEPTVPYPKYDNIZ-INIZCTEOSA-N 0 3 361.829 3.589 20 5 FHBDHN COc1ccc(C(=O)Nc2cc(CN3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000128751614 568247589 /nfs/dbraw/zinc/24/75/89/568247589.db2.gz PSCOVWFYQJDLBH-UHFFFAOYSA-N 0 3 369.421 3.760 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000541931849 568250647 /nfs/dbraw/zinc/25/06/47/568250647.db2.gz CSZAXYFAGQTOPU-QGZVFWFLSA-N 0 3 354.454 3.707 20 5 FHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CNC(C)(C)C(C)(C)O)cc1OC ZINC000541989112 568313478 /nfs/dbraw/zinc/31/34/78/568313478.db2.gz RVBVCVXIGGJBRK-ZDUSSCGKSA-N 0 3 368.474 3.667 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569268894 568323803 /nfs/dbraw/zinc/32/38/03/568323803.db2.gz NSKPKJXFCMNWIJ-BETUJISGSA-N 0 3 373.375 3.895 20 5 FHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1c1ccccc1 ZINC000569298013 568344303 /nfs/dbraw/zinc/34/43/03/568344303.db2.gz NWHFQAFVSPINJL-ZWKOTPCHSA-N 0 3 356.422 3.562 20 5 FHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1c1ccccc1 ZINC000569298010 568344356 /nfs/dbraw/zinc/34/43/56/568344356.db2.gz NWHFQAFVSPINJL-MSOLQXFVSA-N 0 3 356.422 3.562 20 5 FHBDHN CC(C)=CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569512889 568404308 /nfs/dbraw/zinc/40/43/08/568404308.db2.gz IPKJTXFQNFIFLA-UHFFFAOYSA-N 0 3 360.195 3.645 20 5 FHBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000569875136 568433015 /nfs/dbraw/zinc/43/30/15/568433015.db2.gz HPUUUSHFYMOEMB-MRXNPFEDSA-N 0 3 371.412 3.860 20 5 FHBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000246864279 927708239 /nfs/dbraw/zinc/70/82/39/927708239.db2.gz DLAYTOQKYZOFMA-HIFRSBDPSA-N 0 3 359.451 3.508 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000548010742 929937192 /nfs/dbraw/zinc/93/71/92/929937192.db2.gz ZLMXMRYKPIIJSA-DOTOQJQBSA-N 0 3 354.454 3.987 20 5 FHBDHN Cc1ccc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)o1 ZINC000164992636 930316695 /nfs/dbraw/zinc/31/66/95/930316695.db2.gz LCAUXTNHMLDLRJ-UHFFFAOYSA-N 0 3 357.410 3.798 20 5 FHBDHN CSc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000580177282 930330584 /nfs/dbraw/zinc/33/05/84/930330584.db2.gz JDCUPUZWWZGSEU-SFHVURJKSA-N 0 3 373.478 3.658 20 5 FHBDHN CSc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471556916 930493822 /nfs/dbraw/zinc/49/38/22/930493822.db2.gz SDUFLZYCOSSFED-UGSOOPFHSA-N 0 3 373.478 3.738 20 5 FHBDHN C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422083 930498880 /nfs/dbraw/zinc/49/88/80/930498880.db2.gz XEULFMMEMJFTLS-BEFAXECRSA-N 0 3 350.422 3.963 20 5 FHBDHN CN(c1ccccc1)c1ccc(CNCCOCC(F)F)cc1[N+](=O)[O-] ZINC000471559955 930517031 /nfs/dbraw/zinc/51/70/31/930517031.db2.gz ROVYXOPOFUOHBI-UHFFFAOYSA-N 0 3 365.380 3.734 20 5 FHBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177756278 930626008 /nfs/dbraw/zinc/62/60/08/930626008.db2.gz VZOROZYBZJHNPS-UONOGXRCSA-N 0 3 355.394 3.963 20 5 FHBDHN Cc1c([C@H](C)NCc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000119260083 930975504 /nfs/dbraw/zinc/97/55/04/930975504.db2.gz KYPGVMDDMCCWGU-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CN(C(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879221 933358199 /nfs/dbraw/zinc/35/81/99/933358199.db2.gz MXWBXLVXWVZGDG-PDFOZTTASA-N 0 3 365.433 3.593 20 5 FHBDHN Cc1cccc(C[C@@H](CO)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000466904950 934146488 /nfs/dbraw/zinc/14/64/88/934146488.db2.gz POIFFKFEXOBJIP-KRWDZBQOSA-N 0 3 366.417 3.856 20 5 FHBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000458196991 934383287 /nfs/dbraw/zinc/38/32/87/934383287.db2.gz FIKBLJCHKSIENR-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN CC[C@@H](NC[C@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804523 934439913 /nfs/dbraw/zinc/43/99/13/934439913.db2.gz WZZJXCLZBGPERM-RBUKOAKNSA-N 0 3 358.438 3.692 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000178503250 934958925 /nfs/dbraw/zinc/95/89/25/934958925.db2.gz LYWQLSSSEFTSRV-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCO[C@@H](C4CC4)C3)cs2)c1 ZINC000157091706 935021278 /nfs/dbraw/zinc/02/12/78/935021278.db2.gz GHVYHINPIQQCHH-RHSMWYFYSA-N 0 3 359.451 3.766 20 5 FHBDHN COc1cc(CN2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526463 945081230 /nfs/dbraw/zinc/08/12/30/945081230.db2.gz SYTSXBMVNQLWHP-DGCLKSJQSA-N 0 3 356.369 3.622 20 5 FHBDHN CC(C)C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000539242814 935104569 /nfs/dbraw/zinc/10/45/69/935104569.db2.gz GEXHHNGAENFPED-LJQANCHMSA-N 0 3 367.449 3.861 20 5 FHBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C)cc1 ZINC000539257752 935117819 /nfs/dbraw/zinc/11/78/19/935117819.db2.gz YKHCNSXQSRGURP-SFHVURJKSA-N 0 3 353.422 3.533 20 5 FHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000539520896 935231860 /nfs/dbraw/zinc/23/18/60/935231860.db2.gz WJHRFUTXWWHGEW-OICCZTGUSA-N 0 3 366.339 3.950 20 5 FHBDHN CCN1CCC[C@@H](CN(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509591456 945163298 /nfs/dbraw/zinc/16/32/98/945163298.db2.gz IXKVJDGHGFZMCH-OXJNMPFZSA-N 0 3 371.485 3.546 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCc3ccccn3)cs2)c1 ZINC000178933393 938316468 /nfs/dbraw/zinc/31/64/68/938316468.db2.gz FDKGCIASSLFWIG-UHFFFAOYSA-N 0 3 354.435 3.836 20 5 FHBDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000052474153 938322727 /nfs/dbraw/zinc/32/27/27/938322727.db2.gz IIYWHHJKFONLTO-KRWDZBQOSA-N 0 3 356.426 3.638 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000246117127 938336688 /nfs/dbraw/zinc/33/66/88/938336688.db2.gz KUIIYTSRTHVXAH-IAGOWNOFSA-N 0 3 363.483 3.592 20 5 FHBDHN Cc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000583721599 938375864 /nfs/dbraw/zinc/37/58/64/938375864.db2.gz GNHILKOVQPDIEA-LJQANCHMSA-N 0 3 356.422 3.573 20 5 FHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000179761798 939931474 /nfs/dbraw/zinc/93/14/74/939931474.db2.gz QIICPPXQRWWSLR-RMKNXTFCSA-N 0 3 367.449 3.577 20 5 FHBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065857468 939984681 /nfs/dbraw/zinc/98/46/81/939984681.db2.gz ULHYGKNMRQUYDU-HNNXBMFYSA-N 0 3 357.385 3.585 20 5 FHBDHN Cc1nn(C)c(C)c1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180045465 940320511 /nfs/dbraw/zinc/32/05/11/940320511.db2.gz YSPNRVDOYSWKLY-NRFANRHFSA-N 0 3 364.449 3.867 20 5 FHBDHN CCN(CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000511474982 940506365 /nfs/dbraw/zinc/50/63/65/940506365.db2.gz CUSRIHXJQFCIEM-UHFFFAOYSA-N 0 3 366.801 3.893 20 5 FHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnccc1C(C)(C)C ZINC000414233148 940809624 /nfs/dbraw/zinc/80/96/24/940809624.db2.gz RBIBKIPFFAWSNZ-CQSZACIVSA-N 0 3 370.453 3.794 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471457 941019733 /nfs/dbraw/zinc/01/97/33/941019733.db2.gz XLBRUAXEBFACSV-FCHUYYIVSA-N 0 3 362.429 3.877 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1 ZINC000541006388 941101491 /nfs/dbraw/zinc/10/14/91/941101491.db2.gz PREBHFRWWWHEBT-QGZVFWFLSA-N 0 3 354.454 3.707 20 5 FHBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510516 941159469 /nfs/dbraw/zinc/15/94/69/941159469.db2.gz RNLBEVNBXPETGG-HUUCEWRRSA-N 0 3 371.890 3.841 20 5 FHBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415183909 941657914 /nfs/dbraw/zinc/65/79/14/941657914.db2.gz CQDWNKQUSCWMPQ-UONOGXRCSA-N 0 3 370.409 3.601 20 5 FHBDHN CCCCN(C)C(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182664064 941950427 /nfs/dbraw/zinc/95/04/27/941950427.db2.gz OFFXZHKMKDFQQG-INIZCTEOSA-N 0 3 361.486 3.935 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543328 942004191 /nfs/dbraw/zinc/00/41/91/942004191.db2.gz RNPLEADGOOVNSE-NHYWBVRUSA-N 0 3 364.377 3.578 20 5 FHBDHN Cc1c(CNC(=O)c2cccc(CN3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000412292623 942072186 /nfs/dbraw/zinc/07/21/86/942072186.db2.gz QFLIKMHFNFKXKL-UHFFFAOYSA-N 0 3 367.449 3.819 20 5 FHBDHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000616362957 942170095 /nfs/dbraw/zinc/17/00/95/942170095.db2.gz HYIQRODJLRRUHC-YMTOWFKASA-N 0 3 360.357 3.897 20 5 FHBDHN O=C(CCN[C@@H](CC(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420997271 942295493 /nfs/dbraw/zinc/29/54/93/942295493.db2.gz RQDWCLZWZYJIFT-INIZCTEOSA-N 0 3 363.364 3.910 20 5 FHBDHN O=C(CCN[C@H](CC(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420997272 942295579 /nfs/dbraw/zinc/29/55/79/942295579.db2.gz RQDWCLZWZYJIFT-MRXNPFEDSA-N 0 3 363.364 3.910 20 5 FHBDHN CC(C)[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504150 942482138 /nfs/dbraw/zinc/48/21/38/942482138.db2.gz YTMWFHKIXLNLKH-RBUKOAKNSA-N 0 3 371.412 3.826 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000378510005 942837501 /nfs/dbraw/zinc/83/75/01/942837501.db2.gz YWUJAJMKQBUHBV-HNNXBMFYSA-N 0 3 368.437 3.710 20 5 FHBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892329 943022438 /nfs/dbraw/zinc/02/24/38/943022438.db2.gz QJXMTNJSLLAQLB-XPGWFJOJSA-N 0 3 365.433 3.578 20 5 FHBDHN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000505574832 943063373 /nfs/dbraw/zinc/06/33/73/943063373.db2.gz LUULZZUTCKPPDD-KXBFYZLASA-N 0 3 369.465 3.680 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000435057965 943129998 /nfs/dbraw/zinc/12/99/98/943129998.db2.gz RAIBPUSXOAGERH-HNNXBMFYSA-N 0 3 362.813 3.997 20 5 FHBDHN CCn1nc(C)c([N+](=O)[O-])c1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000425285700 943190573 /nfs/dbraw/zinc/19/05/73/943190573.db2.gz TYUSAFHVCZQYHZ-MRXNPFEDSA-N 0 3 360.483 3.876 20 5 FHBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455479 943191914 /nfs/dbraw/zinc/19/19/14/943191914.db2.gz UFLQXNSWKWEPHI-COLVAYQJSA-N 0 3 371.890 3.839 20 5 FHBDHN CCNC(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417319871 943513562 /nfs/dbraw/zinc/51/35/62/943513562.db2.gz IMMDUZJBAURKMO-FQEVSTJZSA-N 0 3 367.449 3.902 20 5 FHBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000417346920 943526758 /nfs/dbraw/zinc/52/67/58/943526758.db2.gz GEYFQJIXPCRUHN-VNTMZGSJSA-N 0 3 370.453 3.567 20 5 FHBDHN CCOc1ccc([C@@H](C)N[C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922059 943900764 /nfs/dbraw/zinc/90/07/64/943900764.db2.gz XDPJDMLXGSJJAB-GHMZBOCLSA-N 0 3 350.337 3.612 20 5 FHBDHN Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912943 943909593 /nfs/dbraw/zinc/90/95/93/943909593.db2.gz ABZCELBBFXOUGX-SFHVURJKSA-N 0 3 368.437 3.689 20 5 FHBDHN COC(=O)[C@H](CCNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425445310 943939971 /nfs/dbraw/zinc/93/99/71/943939971.db2.gz MQAWFZIDVXUNSG-MRXNPFEDSA-N 0 3 356.422 3.766 20 5 FHBDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000436272404 944170346 /nfs/dbraw/zinc/17/03/46/944170346.db2.gz SKMRQNWWBXWMMV-SJLPKXTDSA-N 0 3 360.458 3.935 20 5 FHBDHN Cc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000140075827 944365104 /nfs/dbraw/zinc/36/51/04/944365104.db2.gz GGLNQLKCDTXGBW-HNNXBMFYSA-N 0 3 373.478 3.607 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846677 944444813 /nfs/dbraw/zinc/44/48/13/944444813.db2.gz VHOIUGLSQDCHDC-WBVHZDCISA-N 0 3 359.470 3.735 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000438367852 944538700 /nfs/dbraw/zinc/53/87/00/944538700.db2.gz XWSMXYDHOWTQGT-NVXWUHKLSA-N 0 3 356.422 3.810 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000566814359 944902409 /nfs/dbraw/zinc/90/24/09/944902409.db2.gz IUHJFGMGCJREIC-HOTGVXAUSA-N 0 3 358.438 3.590 20 5 FHBDHN Cc1ccc(NC(=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000518054457 944964801 /nfs/dbraw/zinc/96/48/01/944964801.db2.gz OJPXUAVZBXYOIP-UHFFFAOYSA-N 0 3 368.437 3.663 20 5 FHBDHN Cc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000507184186 945015024 /nfs/dbraw/zinc/01/50/24/945015024.db2.gz TUNIGVBABPUJAA-MRXNPFEDSA-N 0 3 364.405 3.943 20 5 FHBDHN C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544150605 945491932 /nfs/dbraw/zinc/49/19/32/945491932.db2.gz OMNWLJOAIPOXOK-CLCXKQKWSA-N 0 3 374.412 3.557 20 5 FHBDHN C[C@@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000129400387 945531642 /nfs/dbraw/zinc/53/16/42/945531642.db2.gz DJBHPTRGAAFJCL-QGZVFWFLSA-N 0 3 350.802 3.855 20 5 FHBDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344594 946492716 /nfs/dbraw/zinc/49/27/16/946492716.db2.gz IWMLTNZXGFFXHP-DJKXOVBDSA-N 0 3 374.412 3.557 20 5 FHBDHN Cc1c(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000111707236 946515412 /nfs/dbraw/zinc/51/54/12/946515412.db2.gz PNYUTUKRYMXARM-AWEZNQCLSA-N 0 3 356.426 3.545 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475585479 946758431 /nfs/dbraw/zinc/75/84/31/946758431.db2.gz VOPWHOFMDQLMDF-QGZVFWFLSA-N 0 3 368.437 3.608 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000112629324 946911566 /nfs/dbraw/zinc/91/15/66/946911566.db2.gz XZBSHSWVDJYMLC-AWEZNQCLSA-N 0 3 366.343 3.695 20 5 FHBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000523486510 947304362 /nfs/dbraw/zinc/30/43/62/947304362.db2.gz UEKAIPFKXXKFNR-MRXNPFEDSA-N 0 3 369.465 3.509 20 5 FHBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349242 947626408 /nfs/dbraw/zinc/62/64/08/947626408.db2.gz PWAHLHAPLKJGKW-VLIAUNLRSA-N 0 3 373.453 3.917 20 5 FHBDHN COC(=O)c1cc(NC[C@@H](c2ccco2)N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000440731378 947754810 /nfs/dbraw/zinc/75/48/10/947754810.db2.gz YWADYNFMRTYVQT-INIZCTEOSA-N 0 3 373.409 3.532 20 5 FHBDHN O=[N+]([O-])c1cc(CN(CCO)CC2CC2)ccc1Oc1ccc(F)cc1 ZINC000512037820 948262080 /nfs/dbraw/zinc/26/20/80/948262080.db2.gz IFSHHVCIIKNPNL-UHFFFAOYSA-N 0 3 360.385 3.731 20 5 FHBDHN O=C1OCCC12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000359866729 210190158 /nfs/dbraw/zinc/19/01/58/210190158.db2.gz GJWHAQSPSXEHSL-UHFFFAOYSA-N 0 3 372.446 3.852 20 5 FHBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006501 221394981 /nfs/dbraw/zinc/39/49/81/221394981.db2.gz IVPUXJOXOXAWDZ-FQEVSTJZSA-N 0 3 367.449 3.798 20 5 FHBDHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000072035425 221398044 /nfs/dbraw/zinc/39/80/44/221398044.db2.gz OINVLCLGDJKHMH-INIZCTEOSA-N 0 3 371.412 3.893 20 5 FHBDHN C[C@H](NC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541833879 567936168 /nfs/dbraw/zinc/93/61/68/567936168.db2.gz SHBKRQPOKZWLPO-ZDUSSCGKSA-N 0 3 374.416 3.985 20 5 FHBDHN O=[N+]([O-])c1sc(CNCCCC2CCOCC2)cc1Br ZINC000602670428 568007827 /nfs/dbraw/zinc/00/78/27/568007827.db2.gz FPLBYIPYZPPBRL-UHFFFAOYSA-N 0 3 363.277 3.715 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1noc2c1CCCC2 ZINC000568446985 568039103 /nfs/dbraw/zinc/03/91/03/568039103.db2.gz XLOUPARTFQRBFB-PBHICJAKSA-N 0 3 355.438 3.963 20 5 FHBDHN CN(C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871823 568174329 /nfs/dbraw/zinc/17/43/29/568174329.db2.gz WDFNRCAVASPVGK-GOSISDBHSA-N 0 3 354.385 3.997 20 5 FHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ccn(-c4ccccc4)n3)c2c1 ZINC000568807554 568229324 /nfs/dbraw/zinc/22/93/24/568229324.db2.gz GWZAJGXSABKFSY-UHFFFAOYSA-N 0 3 361.405 3.594 20 5 FHBDHN CCOc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236910387 568248710 /nfs/dbraw/zinc/24/87/10/568248710.db2.gz DVZJECACPMLJDH-UHFFFAOYSA-N 0 3 366.421 3.684 20 5 FHBDHN CCC(CC)(CCO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072927324 568253251 /nfs/dbraw/zinc/25/32/51/568253251.db2.gz KCUQUDSGUAMLFV-UHFFFAOYSA-N 0 3 363.483 3.997 20 5 FHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCc1nc(C(F)(F)F)cs1 ZINC000569707860 568413165 /nfs/dbraw/zinc/41/31/65/568413165.db2.gz DEEXVHQSVIOCJX-LLVKDONJSA-N 0 3 357.357 3.890 20 5 FHBDHN COc1cccc(N2CC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252446 568529261 /nfs/dbraw/zinc/52/92/61/568529261.db2.gz BANSREGPZVVFNY-HOTGVXAUSA-N 0 3 355.438 3.841 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000049407715 927043148 /nfs/dbraw/zinc/04/31/48/927043148.db2.gz HPTGAVAXKBQTRU-KRWDZBQOSA-N 0 3 361.829 3.589 20 5 FHBDHN Cc1cccc(C(=O)OCC2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000120615099 929107780 /nfs/dbraw/zinc/10/77/80/929107780.db2.gz QWDQBUGKYVFPLV-UHFFFAOYSA-N 0 3 358.394 3.565 20 5 FHBDHN COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000134794330 929276695 /nfs/dbraw/zinc/27/66/95/929276695.db2.gz QDKUIFOMHVCKBW-MJGOQNOKSA-N 0 3 374.412 3.831 20 5 FHBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275678585 929849801 /nfs/dbraw/zinc/84/98/01/929849801.db2.gz BTYXXPYWCKLNBV-XOBRGWDASA-N 0 3 363.461 3.506 20 5 FHBDHN Cc1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000052314987 937389296 /nfs/dbraw/zinc/38/92/96/937389296.db2.gz WEXZUPQAEISUCY-QGZVFWFLSA-N 0 3 353.422 3.754 20 5 FHBDHN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177756293 930625504 /nfs/dbraw/zinc/62/55/04/930625504.db2.gz VZOROZYBZJHNPS-ZIAGYGMSSA-N 0 3 355.394 3.963 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000247289386 931087985 /nfs/dbraw/zinc/08/79/85/931087985.db2.gz ZASZDWAABGYXCU-AEFFLSMTSA-N 0 3 360.435 3.561 20 5 FHBDHN CCCCOc1ncccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827126 931230991 /nfs/dbraw/zinc/23/09/91/931230991.db2.gz ICVRIHILJULVPG-IRXDYDNUSA-N 0 3 373.457 3.639 20 5 FHBDHN CN(C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000135166061 932018881 /nfs/dbraw/zinc/01/88/81/932018881.db2.gz IGHVACSEWFXALJ-UHFFFAOYSA-N 0 3 353.422 3.612 20 5 FHBDHN COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000610511550 932280472 /nfs/dbraw/zinc/28/04/72/932280472.db2.gz ANEFMTBRLXUIOY-CMPLNLGQSA-N 0 3 362.348 3.767 20 5 FHBDHN COc1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178076082 932313631 /nfs/dbraw/zinc/31/36/31/932313631.db2.gz MQGGUFUIYLDVMT-UHFFFAOYSA-N 0 3 369.421 3.597 20 5 FHBDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661766 932837636 /nfs/dbraw/zinc/83/76/36/932837636.db2.gz HOIXBUXLJMBWCL-GOEBONIOSA-N 0 3 363.458 3.515 20 5 FHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000588447232 933175200 /nfs/dbraw/zinc/17/52/00/933175200.db2.gz WNNWBJQSXCLXKA-YLRLEHAUSA-N 0 3 365.433 3.560 20 5 FHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000065208686 934666772 /nfs/dbraw/zinc/66/67/72/934666772.db2.gz OSLFCCMAIDDGCI-UHFFFAOYSA-N 0 3 365.227 3.868 20 5 FHBDHN Cc1c(CC(=O)N(c2ccccc2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610980269 934681860 /nfs/dbraw/zinc/68/18/60/934681860.db2.gz BQCYJYBYSFHMKG-UHFFFAOYSA-N 0 3 367.449 3.573 20 5 FHBDHN Cc1noc([C@@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000091832681 934861538 /nfs/dbraw/zinc/86/15/38/934861538.db2.gz BXPZTDXOJHIPLZ-CQSZACIVSA-N 0 3 368.393 3.926 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072034692 935225772 /nfs/dbraw/zinc/22/57/72/935225772.db2.gz UJBBCSMSWAEVDD-UHFFFAOYSA-N 0 3 367.877 3.832 20 5 FHBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000187743470 935630358 /nfs/dbraw/zinc/63/03/58/935630358.db2.gz OBUUBPYMKMNTPL-HNNXBMFYSA-N 0 3 372.421 3.648 20 5 FHBDHN COc1ccc(CN(C)C[C@@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582693764 935952890 /nfs/dbraw/zinc/95/28/90/935952890.db2.gz WXXAGJPUEMXVGH-OAHLLOKOSA-N 0 3 374.437 3.649 20 5 FHBDHN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000472262303 936140907 /nfs/dbraw/zinc/14/09/07/936140907.db2.gz URDGWTCBDNHDDW-HNAYVOBHSA-N 0 3 367.449 3.709 20 5 FHBDHN CC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849062 938898645 /nfs/dbraw/zinc/89/86/45/938898645.db2.gz UDJMDFMYFUWPNB-IFXJQAMLSA-N 0 3 351.410 3.977 20 5 FHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000179272162 939022356 /nfs/dbraw/zinc/02/23/56/939022356.db2.gz OJDRSPQNEQHGRI-UHFFFAOYSA-N 0 3 373.478 3.698 20 5 FHBDHN Cc1c([C@@H](C)NCc2cccc(Cn3ccnc3)c2)cccc1[N+](=O)[O-] ZINC000151333374 945231670 /nfs/dbraw/zinc/23/16/70/945231670.db2.gz ARBWBDZQSFYAGY-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000062368786 940027687 /nfs/dbraw/zinc/02/76/87/940027687.db2.gz RZIWEOGLZXJJIA-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000062374544 940030629 /nfs/dbraw/zinc/03/06/29/940030629.db2.gz YUCZUSMNCKVRNK-UHFFFAOYSA-N 0 3 374.416 3.638 20 5 FHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(CN2CCCCC2)c1 ZINC000411538065 940063944 /nfs/dbraw/zinc/06/39/44/940063944.db2.gz VXKBZFNCJIVMOL-UHFFFAOYSA-N 0 3 353.422 3.511 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003159 940328610 /nfs/dbraw/zinc/32/86/10/940328610.db2.gz WMYZZZHIILWDEL-FQEVSTJZSA-N 0 3 368.433 3.827 20 5 FHBDHN Cc1c(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000412004908 940339732 /nfs/dbraw/zinc/33/97/32/940339732.db2.gz DNQFLVGPERJKSP-HXUWFJFHSA-N 0 3 370.449 3.523 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000414321517 940961650 /nfs/dbraw/zinc/96/16/50/940961650.db2.gz FDEVSZVQKJRVFD-ZFWWWQNUSA-N 0 3 358.467 3.825 20 5 FHBDHN CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000186305713 940979474 /nfs/dbraw/zinc/97/94/74/940979474.db2.gz WGDIJINLRDGJPN-SFHVURJKSA-N 0 3 367.449 3.640 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001125847358 941324430 /nfs/dbraw/zinc/32/44/30/941324430.db2.gz LKZWOJDVKHVSLQ-UHFFFAOYSA-N 0 3 373.428 3.555 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000182660175 941949306 /nfs/dbraw/zinc/94/93/06/941949306.db2.gz NJKDRHGNCMEJSC-DOTOQJQBSA-N 0 3 373.497 3.935 20 5 FHBDHN CCN(CC)C(=O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000236999062 942213594 /nfs/dbraw/zinc/21/35/94/942213594.db2.gz CYHIJYMUHPUMTK-ZRDIBKRKSA-N 0 3 359.470 3.769 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415993615 942238706 /nfs/dbraw/zinc/23/87/06/942238706.db2.gz FIJYVCPSZJUFEB-UHFFFAOYSA-N 0 3 354.410 3.641 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000421526889 942637691 /nfs/dbraw/zinc/63/76/91/942637691.db2.gz XPFLPZBVZDGTBJ-BEFAXECRSA-N 0 3 355.438 3.633 20 5 FHBDHN CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000413303839 942638548 /nfs/dbraw/zinc/63/85/48/942638548.db2.gz RBJSQFHLOKNYET-QGZVFWFLSA-N 0 3 362.405 3.631 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099229 942988417 /nfs/dbraw/zinc/98/84/17/942988417.db2.gz NOHWANYDTDSPQS-HOCLYGCPSA-N 0 3 359.426 3.664 20 5 FHBDHN CC[C@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000422091302 942995105 /nfs/dbraw/zinc/99/51/05/942995105.db2.gz WGENABBTPQHGHL-ZDUSSCGKSA-N 0 3 350.802 3.901 20 5 FHBDHN COc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371503 943145365 /nfs/dbraw/zinc/14/53/65/943145365.db2.gz BRNLQBACBQSYLB-INIZCTEOSA-N 0 3 370.453 3.516 20 5 FHBDHN COC[C@H]1CCCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468698040 943341914 /nfs/dbraw/zinc/34/19/14/943341914.db2.gz CWIXHKGDFYRCFX-AWEZNQCLSA-N 0 3 361.467 3.967 20 5 FHBDHN CCOc1ccc([C@H](C)N[C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922061 943900722 /nfs/dbraw/zinc/90/07/22/943900722.db2.gz XDPJDMLXGSJJAB-QWRGUYRKSA-N 0 3 350.337 3.612 20 5 FHBDHN CN(C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000436273041 944171801 /nfs/dbraw/zinc/17/18/01/944171801.db2.gz IONCKTNNVTUVLG-ZDUSSCGKSA-N 0 3 372.322 3.863 20 5 FHBDHN Cc1c(CNC[C@H](O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000516049940 944452866 /nfs/dbraw/zinc/45/28/66/944452866.db2.gz FIXPDVWXSQPYDM-KRWDZBQOSA-N 0 3 358.438 3.556 20 5 FHBDHN CCC[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124914 944475366 /nfs/dbraw/zinc/47/53/66/944475366.db2.gz XSULGLWZCZMWGG-WOJBJXKFSA-N 0 3 369.465 3.725 20 5 FHBDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947112 944787289 /nfs/dbraw/zinc/78/72/89/944787289.db2.gz SKDZJATXMVPWPX-OEPMTFCVSA-N 0 3 373.840 3.871 20 5 FHBDHN CC(C)(C)[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000506979759 944827117 /nfs/dbraw/zinc/82/71/17/944827117.db2.gz VVWFRBRBUJUDBW-HXUWFJFHSA-N 0 3 367.449 3.861 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749555 944851851 /nfs/dbraw/zinc/85/18/51/944851851.db2.gz AFFOJSCNKWILQL-PBHICJAKSA-N 0 3 354.410 3.552 20 5 FHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(F)cccc21 ZINC000437081534 944997368 /nfs/dbraw/zinc/99/73/68/944997368.db2.gz YBWMTETZBRRZRG-SJKOYZFVSA-N 0 3 373.384 3.564 20 5 FHBDHN C[C@H](O)[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706890 945480971 /nfs/dbraw/zinc/48/09/71/945480971.db2.gz ZXTWIPIRONIZAH-RDJZCZTQSA-N 0 3 355.438 3.565 20 5 FHBDHN CC[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751176 945647057 /nfs/dbraw/zinc/64/70/57/945647057.db2.gz RNLQGEDKFMWKEN-KUHUBIRLSA-N 0 3 351.410 3.977 20 5 FHBDHN CN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000125447788 946063036 /nfs/dbraw/zinc/06/30/36/946063036.db2.gz YSYXZFNPYPKAHP-ZBFHGGJFSA-N 0 3 351.859 3.845 20 5 FHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000520058918 946068087 /nfs/dbraw/zinc/06/80/87/946068087.db2.gz NUWMECCVUHZVIR-UHFFFAOYSA-N 0 3 365.227 3.868 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700356 946583220 /nfs/dbraw/zinc/58/32/20/946583220.db2.gz YQCPOPRDMGTWRM-FQEVSTJZSA-N 0 3 353.422 3.973 20 5 FHBDHN COc1ccc(C[C@H](C)CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674305 947098773 /nfs/dbraw/zinc/09/87/73/947098773.db2.gz KISLUAOFZGLZFM-AWEZNQCLSA-N 0 3 368.437 3.790 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(F)cc(F)c1 ZINC000444692783 947116363 /nfs/dbraw/zinc/11/63/63/947116363.db2.gz NHWWTXIDKISSJS-UHFFFAOYSA-N 0 3 363.364 3.642 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444779241 947193540 /nfs/dbraw/zinc/19/35/40/947193540.db2.gz BEHOHQHFKKQVQC-QGZVFWFLSA-N 0 3 354.450 3.973 20 5 FHBDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373561 947221272 /nfs/dbraw/zinc/22/12/72/947221272.db2.gz JSOZAGAAAMYIFK-CZUORRHYSA-N 0 3 364.829 3.681 20 5 FHBDHN C[C@@H](c1cc2ccccc2o1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374644 947222964 /nfs/dbraw/zinc/22/29/64/947222964.db2.gz SERZMLUVYYJUGY-GOEBONIOSA-N 0 3 370.405 3.774 20 5 FHBDHN Cc1cccnc1[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000120910030 947421255 /nfs/dbraw/zinc/42/12/55/947421255.db2.gz WAIDUYCIKKZFJY-GOSISDBHSA-N 0 3 356.426 3.614 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)Cc3ccccc3)o2)c1 ZINC000105492959 948045287 /nfs/dbraw/zinc/04/52/87/948045287.db2.gz XVZIXELYMLADMU-SFHVURJKSA-N 0 3 352.390 3.548 20 5 FHBDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136914591 948090801 /nfs/dbraw/zinc/09/08/01/948090801.db2.gz BNONEJKJRWCCTH-MRXNPFEDSA-N 0 3 370.327 3.659 20 5 FHBDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000452865219 567833796 /nfs/dbraw/zinc/83/37/96/567833796.db2.gz WRDDJIPMMPCVGI-LJQANCHMSA-N 0 3 367.449 3.676 20 5 FHBDHN CN(C)Cc1cccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000452862603 567835485 /nfs/dbraw/zinc/83/54/85/567835485.db2.gz UXXCXSBWMNWPLL-IBGZPJMESA-N 0 3 367.449 3.676 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291035131 567985613 /nfs/dbraw/zinc/98/56/13/567985613.db2.gz FRCGFGKMYYSLMK-HNNXBMFYSA-N 0 3 368.437 3.674 20 5 FHBDHN COc1ccc(-c2n[nH]cc2CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000584687774 568264318 /nfs/dbraw/zinc/26/43/18/568264318.db2.gz MZZPEISWJSGZBJ-UHFFFAOYSA-N 0 3 366.421 3.668 20 5 FHBDHN CN(C)Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000541994079 568302560 /nfs/dbraw/zinc/30/25/60/568302560.db2.gz RJKRGZSCVGQTCU-UHFFFAOYSA-N 0 3 365.336 3.510 20 5 FHBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000175756653 928320280 /nfs/dbraw/zinc/32/02/80/928320280.db2.gz QQPKLPBKDDSFIU-AWEZNQCLSA-N 0 3 371.824 3.873 20 5 FHBDHN Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000559147870 928361553 /nfs/dbraw/zinc/36/15/53/928361553.db2.gz JWMVPCWJGFFKPW-ZDUSSCGKSA-N 0 3 352.394 3.645 20 5 FHBDHN CC[C@H]1c2ccccc2CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610369661 930172970 /nfs/dbraw/zinc/17/29/70/930172970.db2.gz RLMLHTILDPKGHB-SFHVURJKSA-N 0 3 356.422 3.992 20 5 FHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471538533 930240453 /nfs/dbraw/zinc/24/04/53/930240453.db2.gz PALOAIKCGXRNTB-KSSFIOAISA-N 0 3 360.845 3.772 20 5 FHBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000255885405 931321793 /nfs/dbraw/zinc/32/17/93/931321793.db2.gz OILIKBDEQYFXOI-CLFYSBASSA-N 0 3 367.449 3.832 20 5 FHBDHN COc1ccc(OCCN2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000610390099 932009431 /nfs/dbraw/zinc/00/94/31/932009431.db2.gz GNVWJDCVEADUAQ-KRWDZBQOSA-N 0 3 358.394 3.525 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCc1nc(-c2ccccc2)no1 ZINC000077247592 932208580 /nfs/dbraw/zinc/20/85/80/932208580.db2.gz QCNLTHOGNRNTNR-CQSZACIVSA-N 0 3 352.394 3.880 20 5 FHBDHN COC[C@@H](C)N(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000510441716 932389045 /nfs/dbraw/zinc/38/90/45/932389045.db2.gz GVURKDFNYLNYLT-OAHLLOKOSA-N 0 3 374.437 3.649 20 5 FHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN(C)C ZINC000477370826 932523549 /nfs/dbraw/zinc/52/35/49/932523549.db2.gz BRTMEZWJMUWYOQ-UHFFFAOYSA-N 0 3 361.829 3.548 20 5 FHBDHN COc1ccc([C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000510779893 933719290 /nfs/dbraw/zinc/71/92/90/933719290.db2.gz PXZFRLSJYYWMQF-LJQANCHMSA-N 0 3 371.437 3.837 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ccccc2OC)C1 ZINC000538717981 934897475 /nfs/dbraw/zinc/89/74/75/934897475.db2.gz MFOYBJIXJCWNBI-HNNXBMFYSA-N 0 3 356.422 3.992 20 5 FHBDHN Cc1ccc([C@H](C)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000178503266 934958938 /nfs/dbraw/zinc/95/89/38/934958938.db2.gz LYWQLSSSEFTSRV-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000119714523 935102553 /nfs/dbraw/zinc/10/25/53/935102553.db2.gz RYKJKLRQHIYRSA-UHFFFAOYSA-N 0 3 370.247 3.559 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000551405956 935269649 /nfs/dbraw/zinc/26/96/49/935269649.db2.gz FXQJCPXFBIFQPR-UHFFFAOYSA-N 0 3 373.375 3.896 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC[C@H]2C)n1 ZINC000611617007 935815586 /nfs/dbraw/zinc/81/55/86/935815586.db2.gz VPJDULBQNBHEMB-QGZVFWFLSA-N 0 3 354.454 3.707 20 5 FHBDHN Cc1c(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000051855291 935953563 /nfs/dbraw/zinc/95/35/63/935953563.db2.gz RFPVCMKBQGQOMY-OAHLLOKOSA-N 0 3 351.410 3.677 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(COc3ccccc3)CC2)c1 ZINC000065612615 936250377 /nfs/dbraw/zinc/25/03/77/936250377.db2.gz ZDMINLRBVNWLFT-UHFFFAOYSA-N 0 3 356.422 3.765 20 5 FHBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCc1ccc(C(F)(F)F)cc1)CC2 ZINC000612469119 936251751 /nfs/dbraw/zinc/25/17/51/936251751.db2.gz WZCPQODGTSWKHS-UHFFFAOYSA-N 0 3 365.355 4.000 20 5 FHBDHN CCOCCOCc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584004822 938536146 /nfs/dbraw/zinc/53/61/46/938536146.db2.gz WKVPAPFAXCNLMX-FQEVSTJZSA-N 0 3 370.449 3.925 20 5 FHBDHN O=C(CCN[C@@H]1CCCOc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584405736 938825939 /nfs/dbraw/zinc/82/59/39/938825939.db2.gz XOFODZNPJTWVGB-OAHLLOKOSA-N 0 3 373.384 3.566 20 5 FHBDHN Cc1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)c([N+](=O)[O-])cc1C ZINC000364862155 940011304 /nfs/dbraw/zinc/01/13/04/940011304.db2.gz GDLZQQUJXCNYQR-MRXNPFEDSA-N 0 3 372.425 3.578 20 5 FHBDHN O=C(CCNC1(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411475103 940047466 /nfs/dbraw/zinc/04/74/66/940047466.db2.gz ZAVPGGJEBHGVHM-UHFFFAOYSA-N 0 3 359.813 3.856 20 5 FHBDHN C[C@H](NCCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000411462763 940051056 /nfs/dbraw/zinc/05/10/56/940051056.db2.gz VAXHFHZPVUMLHF-ZDUSSCGKSA-N 0 3 361.829 3.605 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000136687955 940115624 /nfs/dbraw/zinc/11/56/24/940115624.db2.gz JPDJALJOHLPXDF-MRXNPFEDSA-N 0 3 361.829 3.589 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000612578208 940159028 /nfs/dbraw/zinc/15/90/28/940159028.db2.gz IFUTZEDKKGGWRR-UHFFFAOYSA-N 0 3 359.470 3.564 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000545274453 940332426 /nfs/dbraw/zinc/33/24/26/940332426.db2.gz HJYIKHOWTHJGMQ-RZQQEMMASA-N 0 3 367.449 3.743 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000066434593 940486888 /nfs/dbraw/zinc/48/68/88/940486888.db2.gz UZRLDUJTVAFCLZ-GOSISDBHSA-N 0 3 350.365 3.817 20 5 FHBDHN Cc1ccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N2CCCC2)o1 ZINC000506793890 945332752 /nfs/dbraw/zinc/33/27/52/945332752.db2.gz CJYMLPZQWJBHJU-GOSISDBHSA-N 0 3 366.421 3.715 20 5 FHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613390066 940662311 /nfs/dbraw/zinc/66/23/11/940662311.db2.gz VWCPBGQBYXJBHY-KXBFYZLASA-N 0 3 358.438 3.636 20 5 FHBDHN CCC(CC)[C@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236707061 945355510 /nfs/dbraw/zinc/35/55/10/945355510.db2.gz HOCGIXKOBVZCMW-GOSISDBHSA-N 0 3 362.426 3.750 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189783041 941276872 /nfs/dbraw/zinc/27/68/72/941276872.db2.gz UIHFGICMQLFUNF-VQIMIIECSA-N 0 3 368.437 3.779 20 5 FHBDHN Cc1cc(CN(C)C)cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000536221690 941474530 /nfs/dbraw/zinc/47/45/30/941474530.db2.gz RYBFWVOCCFWTMG-UHFFFAOYSA-N 0 3 359.451 3.696 20 5 FHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182335024 941736950 /nfs/dbraw/zinc/73/69/50/941736950.db2.gz PHBBNJVBYXOZDL-UONOGXRCSA-N 0 3 357.410 3.590 20 5 FHBDHN CCN(CC)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000513179661 941773474 /nfs/dbraw/zinc/77/34/74/941773474.db2.gz UFCPVYKDWOGIAG-GFCCVEGCSA-N 0 3 365.484 3.861 20 5 FHBDHN O=C(CCN[C@H]1CCCOc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584405735 941938894 /nfs/dbraw/zinc/93/88/94/941938894.db2.gz XOFODZNPJTWVGB-HNNXBMFYSA-N 0 3 373.384 3.566 20 5 FHBDHN CCCCN(C)C(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182664081 941950625 /nfs/dbraw/zinc/95/06/25/941950625.db2.gz OFFXZHKMKDFQQG-MRXNPFEDSA-N 0 3 361.486 3.935 20 5 FHBDHN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000182756758 941965906 /nfs/dbraw/zinc/96/59/06/941965906.db2.gz NJOSELNDUSCYDR-PBHICJAKSA-N 0 3 357.458 3.585 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543326 942004176 /nfs/dbraw/zinc/00/41/76/942004176.db2.gz RNPLEADGOOVNSE-ABAIWWIYSA-N 0 3 364.377 3.578 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCSC3CCCCC3)C2)nc1 ZINC000500984324 942245704 /nfs/dbraw/zinc/24/57/04/942245704.db2.gz LZOXDSVDZQTRKG-AWEZNQCLSA-N 0 3 350.488 3.542 20 5 FHBDHN O=[N+]([O-])c1ccc(N2CCN(CCc3cccs3)CC2)c2cccnc21 ZINC000413070784 942251302 /nfs/dbraw/zinc/25/13/02/942251302.db2.gz KRJFRHDXXQKVPI-UHFFFAOYSA-N 0 3 368.462 3.569 20 5 FHBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c(F)c1 ZINC000413098102 942285885 /nfs/dbraw/zinc/28/58/85/942285885.db2.gz DSCVPBZETSKMNB-LBPRGKRZSA-N 0 3 350.419 3.515 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](n3cccn3)C2)o1 ZINC000092967616 942287092 /nfs/dbraw/zinc/28/70/92/942287092.db2.gz HZHQVPURGKJKPT-OAHLLOKOSA-N 0 3 352.394 3.888 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000085637640 942315392 /nfs/dbraw/zinc/31/53/92/942315392.db2.gz YQZVPIHJDSRWQE-HNNXBMFYSA-N 0 3 370.453 3.854 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000110247955 942347598 /nfs/dbraw/zinc/34/75/98/942347598.db2.gz QJGWDVIJPIIMFA-IBGZPJMESA-N 0 3 369.465 3.748 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000183242961 942379920 /nfs/dbraw/zinc/37/99/20/942379920.db2.gz FCHPWKKDROVKPV-UHFFFAOYSA-N 0 3 359.470 3.518 20 5 FHBDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630294 942754594 /nfs/dbraw/zinc/75/45/94/942754594.db2.gz LJBNCJJUZIBLDR-HUUCEWRRSA-N 0 3 370.405 3.740 20 5 FHBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190206175 942858226 /nfs/dbraw/zinc/85/82/26/942858226.db2.gz UMGOVCAZAHMVCZ-AWEZNQCLSA-N 0 3 373.375 3.834 20 5 FHBDHN Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000435059021 943131003 /nfs/dbraw/zinc/13/10/03/943131003.db2.gz HBZHMLPTOFLPNR-UHFFFAOYSA-N 0 3 354.454 3.816 20 5 FHBDHN CCc1nn(C)c(S[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425276137 943150077 /nfs/dbraw/zinc/15/00/77/943150077.db2.gz CZESELQNPRXDDH-HNNXBMFYSA-N 0 3 360.483 3.647 20 5 FHBDHN CCNC(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417319872 943513637 /nfs/dbraw/zinc/51/36/37/943513637.db2.gz IMMDUZJBAURKMO-HXUWFJFHSA-N 0 3 367.449 3.902 20 5 FHBDHN COc1cc(CN[C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000435784771 943769615 /nfs/dbraw/zinc/76/96/15/943769615.db2.gz IKQOIPQBHFCGNI-MQMHXKEQSA-N 0 3 360.385 3.787 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@H]1C ZINC000505788893 944183122 /nfs/dbraw/zinc/18/31/22/944183122.db2.gz YJWWMMSTDBYUIT-CQSZACIVSA-N 0 3 365.499 3.701 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000505804809 944252334 /nfs/dbraw/zinc/25/23/34/944252334.db2.gz GQLBTLTYHNCOCY-AWEZNQCLSA-N 0 3 365.499 3.701 20 5 FHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000505844005 944411588 /nfs/dbraw/zinc/41/15/88/944411588.db2.gz CRPOKQMRXVUZMK-YZMSFBEDSA-N 0 3 368.433 3.512 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000438367856 944538683 /nfs/dbraw/zinc/53/86/83/944538683.db2.gz XWSMXYDHOWTQGT-WBVHZDCISA-N 0 3 356.422 3.810 20 5 FHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCCC1 ZINC000516389964 944807943 /nfs/dbraw/zinc/80/79/43/944807943.db2.gz WDSAOAJEOGRJKR-OAHLLOKOSA-N 0 3 369.421 3.601 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000566814358 944902820 /nfs/dbraw/zinc/90/28/20/944902820.db2.gz IUHJFGMGCJREIC-CVEARBPZSA-N 0 3 358.438 3.590 20 5 FHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-n2cncn2)cc1 ZINC000507168085 945000460 /nfs/dbraw/zinc/00/04/60/945000460.db2.gz BJFFHDXCDSNUBY-UHFFFAOYSA-N 0 3 351.410 3.586 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1CC ZINC000506361078 945021450 /nfs/dbraw/zinc/02/14/50/945021450.db2.gz BZYFLGNUVZWSRU-OAHLLOKOSA-N 0 3 365.499 3.701 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000184118827 945619961 /nfs/dbraw/zinc/61/99/61/945619961.db2.gz NKJBAIGOGSPPLH-UHFFFAOYSA-N 0 3 362.817 3.632 20 5 FHBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479707 945731389 /nfs/dbraw/zinc/73/13/89/945731389.db2.gz CHGFDRSHEYQHNN-KRWDZBQOSA-N 0 3 363.458 3.816 20 5 FHBDHN COc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475561022 946666224 /nfs/dbraw/zinc/66/62/24/946666224.db2.gz XEQYYGKUTBRLCG-BBRMVZONSA-N 0 3 360.385 3.874 20 5 FHBDHN Cn1c2ccccc2nc1C(C)(C)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000473152491 946720723 /nfs/dbraw/zinc/72/07/23/946720723.db2.gz PAMFLGKUXTZHLL-UHFFFAOYSA-N 0 3 368.437 3.775 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000475575217 946723428 /nfs/dbraw/zinc/72/34/28/946723428.db2.gz QNJGFUSYSQUCDU-INIZCTEOSA-N 0 3 370.453 3.854 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000475585474 946758573 /nfs/dbraw/zinc/75/85/73/946758573.db2.gz VOPWHOFMDQLMDF-KRWDZBQOSA-N 0 3 368.437 3.608 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2OC[C@@H]1C ZINC000543876111 947062922 /nfs/dbraw/zinc/06/29/22/947062922.db2.gz ZGTDQFLEIALJKH-HNNXBMFYSA-N 0 3 369.421 3.515 20 5 FHBDHN Cc1c(CN(C[C@H](O)COc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000444820921 947255825 /nfs/dbraw/zinc/25/58/25/947255825.db2.gz XFXUKHLBKDLJEN-SFHVURJKSA-N 0 3 358.438 3.554 20 5 FHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000549610120 947993263 /nfs/dbraw/zinc/99/32/63/947993263.db2.gz HFUJRCPWBRMLRV-GFCCVEGCSA-N 0 3 352.312 3.576 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000481436976 567937401 /nfs/dbraw/zinc/93/74/01/567937401.db2.gz GAZIHPPJSJHTAX-KSSFIOAISA-N 0 3 356.426 3.716 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000481436974 567941987 /nfs/dbraw/zinc/94/19/87/567941987.db2.gz GAZIHPPJSJHTAX-KDOFPFPSSA-N 0 3 356.426 3.716 20 5 FHBDHN CC(C)(C)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000568510205 568051752 /nfs/dbraw/zinc/05/17/52/568051752.db2.gz RAKKWJKVDOTJKV-INIZCTEOSA-N 0 3 373.478 3.812 20 5 FHBDHN CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000291237318 568086756 /nfs/dbraw/zinc/08/67/56/568086756.db2.gz APLDQUXLDWCIIM-YGRLFVJLSA-N 0 3 374.268 3.704 20 5 FHBDHN COc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000481684197 568088955 /nfs/dbraw/zinc/08/89/55/568088955.db2.gz KMWDXDOSQLPTGA-GOSISDBHSA-N 0 3 356.426 3.556 20 5 FHBDHN CCOc1ccc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236905593 568247968 /nfs/dbraw/zinc/24/79/68/568247968.db2.gz RZPBUVOHRVTIQV-QGZVFWFLSA-N 0 3 371.437 3.547 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000569635368 568411526 /nfs/dbraw/zinc/41/15/26/568411526.db2.gz ZXTKKOIPHFGFSW-MOPGFXCFSA-N 0 3 366.465 3.565 20 5 FHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000570515906 568483826 /nfs/dbraw/zinc/48/38/26/568483826.db2.gz YBKKZGQHTIJESL-INIZCTEOSA-N 0 3 371.437 3.547 20 5 FHBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164661234 719340132 /nfs/dbraw/zinc/34/01/32/719340132.db2.gz JYFJLHQGFSSNRZ-UHFFFAOYSA-N 0 3 358.417 3.574 20 5 FHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000049407712 927042901 /nfs/dbraw/zinc/04/29/01/927042901.db2.gz HPTGAVAXKBQTRU-QGZVFWFLSA-N 0 3 361.829 3.589 20 5 FHBDHN Cc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000583114150 937134239 /nfs/dbraw/zinc/13/42/39/937134239.db2.gz XJHAUMFCFXYVIO-SOFGYWHQSA-N 0 3 352.438 3.701 20 5 FHBDHN CO[C@@H](CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000577619463 927338275 /nfs/dbraw/zinc/33/82/75/927338275.db2.gz VQSNHZOYYSBEHG-FQEVSTJZSA-N 0 3 356.422 3.826 20 5 FHBDHN Cc1ccc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000187341487 930282662 /nfs/dbraw/zinc/28/26/62/930282662.db2.gz QZNGVMKMEFOIAC-KRWDZBQOSA-N 0 3 363.421 3.533 20 5 FHBDHN C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422086 930498477 /nfs/dbraw/zinc/49/84/77/930498477.db2.gz XEULFMMEMJFTLS-KXBFYZLASA-N 0 3 350.422 3.963 20 5 FHBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000247260474 930531742 /nfs/dbraw/zinc/53/17/42/930531742.db2.gz FAVJKJHUWOJBBI-NHYWBVRUSA-N 0 3 365.480 3.531 20 5 FHBDHN O=[N+]([O-])c1cc(CNCCOCC(F)F)ccc1Oc1ccc(F)cc1 ZINC000471562418 930548935 /nfs/dbraw/zinc/54/89/35/930548935.db2.gz HBWSOWGCFCNGRO-UHFFFAOYSA-N 0 3 370.327 3.898 20 5 FHBDHN CCN(CC)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000580825025 931222139 /nfs/dbraw/zinc/22/21/39/931222139.db2.gz JKPREQWFRSOBST-LBPRGKRZSA-N 0 3 361.427 3.688 20 5 FHBDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872289 931397072 /nfs/dbraw/zinc/39/70/72/931397072.db2.gz UCRPHASUCHLTKQ-OCCSQVGLSA-N 0 3 359.451 3.643 20 5 FHBDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872252 931397094 /nfs/dbraw/zinc/39/70/94/931397094.db2.gz UCRPHASUCHLTKQ-GXTWGEPZSA-N 0 3 359.451 3.643 20 5 FHBDHN CN(C(=O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879219 933358160 /nfs/dbraw/zinc/35/81/60/933358160.db2.gz MXWBXLVXWVZGDG-CNRGFGOASA-N 0 3 365.433 3.593 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COc1c(C)cccc1C ZINC000610804505 934440015 /nfs/dbraw/zinc/44/00/15/934440015.db2.gz TUDIZHXYQNGPPG-AEFFLSMTSA-N 0 3 358.438 3.611 20 5 FHBDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444864 934809314 /nfs/dbraw/zinc/80/93/14/934809314.db2.gz HAZAGWBYGQFUIG-PBHICJAKSA-N 0 3 371.437 3.980 20 5 FHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000539068624 935009090 /nfs/dbraw/zinc/00/90/90/935009090.db2.gz CPZZNXSNRRTFIQ-LBPRGKRZSA-N 0 3 352.337 3.926 20 5 FHBDHN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157055637 935014908 /nfs/dbraw/zinc/01/49/08/935014908.db2.gz NOBOIPAQEVFPDG-KBPBESRZSA-N 0 3 355.394 3.963 20 5 FHBDHN CC[C@@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051624 935093019 /nfs/dbraw/zinc/09/30/19/935093019.db2.gz RXSXKNDPBUACPO-IEBWSBKVSA-N 0 3 368.437 3.942 20 5 FHBDHN CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255822 935117705 /nfs/dbraw/zinc/11/77/05/935117705.db2.gz QZFHCXWFQZBJEQ-OALUTQOASA-N 0 3 353.422 3.749 20 5 FHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157756120 935180305 /nfs/dbraw/zinc/18/03/05/935180305.db2.gz GUYDFZHARJYXJK-ZDUSSCGKSA-N 0 3 373.457 3.534 20 5 FHBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000127453497 935559092 /nfs/dbraw/zinc/55/90/92/935559092.db2.gz TUTZPNSFPMIXPG-UHFFFAOYSA-N 0 3 373.375 3.560 20 5 FHBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000511103241 935574162 /nfs/dbraw/zinc/57/41/62/935574162.db2.gz BTXGPUBOXOVGKN-AWEZNQCLSA-N 0 3 368.359 3.690 20 5 FHBDHN O=C(CCNCc1ccc(C2CC2)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000582841602 936209291 /nfs/dbraw/zinc/20/92/91/936209291.db2.gz PYMVPRSFAALZKO-UHFFFAOYSA-N 0 3 357.385 3.730 20 5 FHBDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336991 938995367 /nfs/dbraw/zinc/99/53/67/938995367.db2.gz GPBZOEUJODAIBE-FUHWJXTLSA-N 0 3 367.449 3.511 20 5 FHBDHN COc1ccc(-c2ccc(CN3CCC4(CCO4)CC3)o2)c([N+](=O)[O-])c1 ZINC000548875505 939175906 /nfs/dbraw/zinc/17/59/06/939175906.db2.gz WYYBVBBNGUUUEU-UHFFFAOYSA-N 0 3 358.394 3.618 20 5 FHBDHN CCOc1ccc(NC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411759084 940113186 /nfs/dbraw/zinc/11/31/86/940113186.db2.gz OZAJVEDZBQPDLG-UHFFFAOYSA-N 0 3 371.437 3.847 20 5 FHBDHN CCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179919201 940129171 /nfs/dbraw/zinc/12/91/71/940129171.db2.gz YQLYNLDQLKXBRL-UHFFFAOYSA-N 0 3 371.437 3.593 20 5 FHBDHN C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000066410532 940482361 /nfs/dbraw/zinc/48/23/61/940482361.db2.gz KSMZPMKQLRFGIU-HNNXBMFYSA-N 0 3 353.422 3.682 20 5 FHBDHN Cc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173508552 940632914 /nfs/dbraw/zinc/63/29/14/940632914.db2.gz ALMGVMZZZLIXND-QGZVFWFLSA-N 0 3 367.449 3.640 20 5 FHBDHN CC(C)n1ncc2cc(CN(C)CCc3cccc([N+](=O)[O-])c3)cnc21 ZINC000549153253 941546369 /nfs/dbraw/zinc/54/63/69/941546369.db2.gz GZIKODULOYMYPK-UHFFFAOYSA-N 0 3 353.426 3.595 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H](C4CCOCC4)C3)cs2)c1 ZINC000377247820 941592791 /nfs/dbraw/zinc/59/27/91/941592791.db2.gz CLKCZOMFXKIARZ-INIZCTEOSA-N 0 3 373.478 3.967 20 5 FHBDHN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1 ZINC000412117952 941794688 /nfs/dbraw/zinc/79/46/88/941794688.db2.gz WJKJSTDKHCMIHK-ZWKOTPCHSA-N 0 3 353.422 3.707 20 5 FHBDHN Cc1ccccc1OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513401093 941896305 /nfs/dbraw/zinc/89/63/05/941896305.db2.gz IVQWFNXOXJDFIQ-IBGZPJMESA-N 0 3 358.438 3.554 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000513653037 942057212 /nfs/dbraw/zinc/05/72/12/942057212.db2.gz QABDBWMAFIEDCP-UHFFFAOYSA-N 0 3 365.336 3.510 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000073478389 942081780 /nfs/dbraw/zinc/08/17/80/942081780.db2.gz RKRHIIVSJVXMHZ-GOSISDBHSA-N 0 3 364.405 3.852 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000103231888 942237531 /nfs/dbraw/zinc/23/75/31/942237531.db2.gz QXKJYSHIYZDPKW-UHFFFAOYSA-N 0 3 370.453 3.807 20 5 FHBDHN COc1ccc(CNCCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000237146699 942249142 /nfs/dbraw/zinc/24/91/42/942249142.db2.gz ZTFARLKGTGBAKQ-UHFFFAOYSA-N 0 3 370.327 3.791 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2C1 ZINC000416122591 942367068 /nfs/dbraw/zinc/36/70/68/942367068.db2.gz JQKDUEJKGPLFQR-UHFFFAOYSA-N 0 3 353.422 3.599 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336326 942501212 /nfs/dbraw/zinc/50/12/12/942501212.db2.gz OUTZBJHDDDJGNL-RUGDWHBFSA-N 0 3 371.437 3.537 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000421526900 942637548 /nfs/dbraw/zinc/63/75/48/942637548.db2.gz XPFLPZBVZDGTBJ-KXBFYZLASA-N 0 3 355.438 3.633 20 5 FHBDHN COCc1nccc([C@H]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507410 942835818 /nfs/dbraw/zinc/83/58/18/942835818.db2.gz UWVNTSLXVBOBFB-HOTGVXAUSA-N 0 3 370.453 3.780 20 5 FHBDHN COc1ccccc1C1CC(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365808135 942922383 /nfs/dbraw/zinc/92/23/83/942922383.db2.gz YOMVTTLCEPRIDI-UHFFFAOYSA-N 0 3 357.366 3.547 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000505552605 943009748 /nfs/dbraw/zinc/00/97/48/943009748.db2.gz BLVKDXCBRBMSDF-HXUWFJFHSA-N 0 3 356.422 3.655 20 5 FHBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000425235330 943020768 /nfs/dbraw/zinc/02/07/68/943020768.db2.gz IPLOLUGNKUDWSZ-OAHLLOKOSA-N 0 3 370.453 3.774 20 5 FHBDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514510964 943073170 /nfs/dbraw/zinc/07/31/70/943073170.db2.gz FYCBLAILXOBIAM-LJQANCHMSA-N 0 3 370.453 3.890 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503405639 943166196 /nfs/dbraw/zinc/16/61/96/943166196.db2.gz KCICCFXNCYESOC-MRXNPFEDSA-N 0 3 370.453 3.516 20 5 FHBDHN C[C@@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000162331917 943332508 /nfs/dbraw/zinc/33/25/08/943332508.db2.gz JRGGNQMZCNPODC-FQEVSTJZSA-N 0 3 371.412 3.518 20 5 FHBDHN Cc1ccc(NC(=O)CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000425372366 943392208 /nfs/dbraw/zinc/39/22/08/943392208.db2.gz SKLJVUZDJBFVBZ-CYBMUJFWSA-N 0 3 361.829 3.716 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000517048565 943951460 /nfs/dbraw/zinc/95/14/60/943951460.db2.gz SKBISJHGFCHDGZ-CVEARBPZSA-N 0 3 358.438 3.590 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 ZINC000505800090 944245058 /nfs/dbraw/zinc/24/50/58/944245058.db2.gz ZZINSQKUVKQTDO-UHFFFAOYSA-N 0 3 365.499 3.703 20 5 FHBDHN CCO[C@H]1C[C@](CO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379408 944265303 /nfs/dbraw/zinc/26/53/03/944265303.db2.gz XUFMKORLGJIRLG-AZUAARDMSA-N 0 3 374.437 3.511 20 5 FHBDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000516089527 944489615 /nfs/dbraw/zinc/48/96/15/944489615.db2.gz ZLOZJAANHIGERX-SFHVURJKSA-N 0 3 353.422 3.966 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000505891857 944724968 /nfs/dbraw/zinc/72/49/68/944724968.db2.gz RAIBPUSXOAGERH-OAHLLOKOSA-N 0 3 362.813 3.997 20 5 FHBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000426504575 945021079 /nfs/dbraw/zinc/02/10/79/945021079.db2.gz OHTPWNNRRGZMOF-NRFANRHFSA-N 0 3 367.449 3.710 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1CC ZINC000506361077 945022024 /nfs/dbraw/zinc/02/20/24/945022024.db2.gz BZYFLGNUVZWSRU-HNNXBMFYSA-N 0 3 365.499 3.701 20 5 FHBDHN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000518140036 945050704 /nfs/dbraw/zinc/05/07/04/945050704.db2.gz OCSFJFJULJQHCM-SFHVURJKSA-N 0 3 370.453 3.946 20 5 FHBDHN Cc1ccc([C@H](C)NCc2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129418238 945773536 /nfs/dbraw/zinc/77/35/36/945773536.db2.gz KDYSXAOTPKAZGO-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1c([C@H](C)NCc2cccc(Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129436038 946013388 /nfs/dbraw/zinc/01/33/88/946013388.db2.gz STMZFCGWBCRTNV-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778388 946097597 /nfs/dbraw/zinc/09/75/97/946097597.db2.gz FLCIWFUAHVYBEA-WMZOPIPTSA-N 0 3 374.485 3.748 20 5 FHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OCC(F)F ZINC000441336140 946442626 /nfs/dbraw/zinc/44/26/26/946442626.db2.gz AULBOSFMESOIKG-QPEQYQDCSA-N 0 3 363.364 3.827 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111700560 946514077 /nfs/dbraw/zinc/51/40/77/946514077.db2.gz QFXVUOMAHXPLOA-OAHLLOKOSA-N 0 3 356.426 3.545 20 5 FHBDHN Cc1c(NC(=O)CCN(C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444708557 947136632 /nfs/dbraw/zinc/13/66/32/947136632.db2.gz RHQBNIMCSZLWRP-UHFFFAOYSA-N 0 3 363.364 3.642 20 5 FHBDHN O=[N+]([O-])c1cc(CNCCc2cccc(OCC(F)(F)F)c2)cs1 ZINC000475613855 947225663 /nfs/dbraw/zinc/22/56/63/947225663.db2.gz DCTGOWNEEUSFJZ-UHFFFAOYSA-N 0 3 360.357 3.930 20 5 FHBDHN COC(=O)c1cc(NC[C@H](c2ccco2)N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000440731380 947754361 /nfs/dbraw/zinc/75/43/61/947754361.db2.gz YWADYNFMRTYVQT-MRXNPFEDSA-N 0 3 373.409 3.532 20 5 FHBDHN C[C@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000129400138 947820999 /nfs/dbraw/zinc/82/09/99/947820999.db2.gz DJBHPTRGAAFJCL-KRWDZBQOSA-N 0 3 350.802 3.855 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)Cc3ccccc3)o2)c1 ZINC000105492963 948044685 /nfs/dbraw/zinc/04/46/85/948044685.db2.gz XVZIXELYMLADMU-GOSISDBHSA-N 0 3 352.390 3.548 20 5 FHBDHN CC1(C)C[C@H](NCc2cccnc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279010505 948395097 /nfs/dbraw/zinc/39/50/97/948395097.db2.gz GWGGSVBRNRUQOQ-SFHVURJKSA-N 0 3 363.421 3.688 20 5 FHBDHN CCOc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000617196040 948496033 /nfs/dbraw/zinc/49/60/33/948496033.db2.gz CVDFVCPIAHRXJE-QZTJIDSGSA-N 0 3 367.449 3.562 20 5 FHBDHN COc1ccc([C@@H](CNCc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000061013574 567859375 /nfs/dbraw/zinc/85/93/75/567859375.db2.gz RZTODWAOVBJLIT-OAQYLSRUSA-N 0 3 369.465 3.920 20 5 FHBDHN CCC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537952 568030686 /nfs/dbraw/zinc/03/06/86/568030686.db2.gz VWZYCWXQCJMRRJ-AZUAARDMSA-N 0 3 358.438 3.774 20 5 FHBDHN COc1ccc(CN2CCC(CNc3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000481679885 568085845 /nfs/dbraw/zinc/08/58/45/568085845.db2.gz WBLPAXATOBJQQM-UHFFFAOYSA-N 0 3 370.453 3.631 20 5 FHBDHN CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000291237313 568086722 /nfs/dbraw/zinc/08/67/22/568086722.db2.gz APLDQUXLDWCIIM-IINYFYTJSA-N 0 3 374.268 3.704 20 5 FHBDHN C[C@@H](N[C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237204 568086748 /nfs/dbraw/zinc/08/67/48/568086748.db2.gz QJEXMIAUEYFEKI-HUUCEWRRSA-N 0 3 368.437 3.926 20 5 FHBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000128663596 568134241 /nfs/dbraw/zinc/13/42/41/568134241.db2.gz PVFSOBAWNDAOIM-UHFFFAOYSA-N 0 3 353.422 3.680 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000481833641 568146719 /nfs/dbraw/zinc/14/67/19/568146719.db2.gz DSHLCYUBYVCPBE-GXTWGEPZSA-N 0 3 360.385 3.874 20 5 FHBDHN CCOC(CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OCC ZINC000291545806 568196549 /nfs/dbraw/zinc/19/65/49/568196549.db2.gz LTSQEJRHPASMME-UHFFFAOYSA-N 0 3 351.230 3.780 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000481996426 568219125 /nfs/dbraw/zinc/21/91/25/568219125.db2.gz AEWNVKJYNQQTPL-OAQYLSRUSA-N 0 3 366.465 3.791 20 5 FHBDHN CCOc1ccc([C@@H](C)NCC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470864 568482687 /nfs/dbraw/zinc/48/26/87/568482687.db2.gz OWXIASUAULSRBU-GDBMZVCRSA-N 0 3 372.421 3.874 20 5 FHBDHN CCOc1ccc([C@H](C)NCC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470866 568482747 /nfs/dbraw/zinc/48/27/47/568482747.db2.gz OWXIASUAULSRBU-HOCLYGCPSA-N 0 3 372.421 3.874 20 5 FHBDHN C[C@H](O)[C@@](C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000570697027 568499881 /nfs/dbraw/zinc/49/98/81/568499881.db2.gz ZKWZVFMMJTXFBP-PAXLWEDBSA-N 0 3 354.450 3.802 20 5 FHBDHN CC[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000153936737 927573845 /nfs/dbraw/zinc/57/38/45/927573845.db2.gz CRDSXNAJGRSEKI-HXUWFJFHSA-N 0 3 367.449 3.958 20 5 FHBDHN CSc1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187093059 927907900 /nfs/dbraw/zinc/90/79/00/927907900.db2.gz WYCNLIXTKHUXDU-CXAGYDPISA-N 0 3 373.478 3.738 20 5 FHBDHN Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156275 928146209 /nfs/dbraw/zinc/14/62/09/928146209.db2.gz JUCISHOOFRCQDG-CVEARBPZSA-N 0 3 368.437 3.710 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296404 929399135 /nfs/dbraw/zinc/39/91/35/929399135.db2.gz JBTIHIORUVJLNY-DOTOQJQBSA-N 0 3 353.422 3.641 20 5 FHBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000579993622 929789449 /nfs/dbraw/zinc/78/94/49/929789449.db2.gz OIEGOSUAZBJCEV-OAHLLOKOSA-N 0 3 361.467 3.756 20 5 FHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccsc1 ZINC000471613394 931058110 /nfs/dbraw/zinc/05/81/10/931058110.db2.gz XMMNMWUHHJRDNS-UONOGXRCSA-N 0 3 352.481 3.850 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383284 931811860 /nfs/dbraw/zinc/81/18/60/931811860.db2.gz ZYVBGQMUKDZMQA-CRAIPNDOSA-N 0 3 356.401 3.693 20 5 FHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000157055926 931813345 /nfs/dbraw/zinc/81/33/45/931813345.db2.gz NOBOIPAQEVFPDG-UONOGXRCSA-N 0 3 355.394 3.963 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCO[C@@H](C4CC4)C3)cs2)c1 ZINC000157091856 931834512 /nfs/dbraw/zinc/83/45/12/931834512.db2.gz GHVYHINPIQQCHH-WMLDXEAASA-N 0 3 359.451 3.766 20 5 FHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000588440021 933068832 /nfs/dbraw/zinc/06/88/32/933068832.db2.gz PXVVRFVJYHWPCZ-SQFISAMPSA-N 0 3 373.478 3.650 20 5 FHBDHN CCO[C@@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000610930440 934626117 /nfs/dbraw/zinc/62/61/17/934626117.db2.gz DGOZUQMUSYQEMR-OAHLLOKOSA-N 0 3 360.410 3.864 20 5 FHBDHN COc1cc(CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526465 945081524 /nfs/dbraw/zinc/08/15/24/945081524.db2.gz SYTSXBMVNQLWHP-YPMHNXCESA-N 0 3 356.369 3.622 20 5 FHBDHN C[C@@H](c1ccncc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000091989725 935198973 /nfs/dbraw/zinc/19/89/73/935198973.db2.gz RZIQDPJSSATBFN-AWEZNQCLSA-N 0 3 352.394 3.880 20 5 FHBDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119920954 935332760 /nfs/dbraw/zinc/33/27/60/935332760.db2.gz RLSQZICCPBASSZ-IINYFYTJSA-N 0 3 369.849 3.511 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000119951211 935357892 /nfs/dbraw/zinc/35/78/92/935357892.db2.gz VJBZILAZLOOBQK-UHFFFAOYSA-N 0 3 360.458 3.694 20 5 FHBDHN Cn1cc(CN2CC3(CCC3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582273238 935477690 /nfs/dbraw/zinc/47/76/90/935477690.db2.gz GTFQFAFUGCEXFZ-IBGZPJMESA-N 0 3 352.438 3.760 20 5 FHBDHN CC[C@H](C)N[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320444 935516939 /nfs/dbraw/zinc/51/69/39/935516939.db2.gz CWTUXEVHWYMWJV-WMLDXEAASA-N 0 3 373.453 3.711 20 5 FHBDHN CCOc1cccc2cc([C@@H](C)NCCn3c(C)ncc3[N+](=O)[O-])oc21 ZINC000611696693 935935950 /nfs/dbraw/zinc/93/59/50/935935950.db2.gz KAWPVOMKBMXSSS-GFCCVEGCSA-N 0 3 358.398 3.595 20 5 FHBDHN CC(C)c1ccc(CNCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000075772824 936019463 /nfs/dbraw/zinc/01/94/63/936019463.db2.gz PXRMVOJFYGAERQ-UHFFFAOYSA-N 0 3 365.437 3.648 20 5 FHBDHN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000472262296 936140494 /nfs/dbraw/zinc/14/04/94/936140494.db2.gz URDGWTCBDNHDDW-BEFAXECRSA-N 0 3 367.449 3.709 20 5 FHBDHN Cc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000584191557 938636880 /nfs/dbraw/zinc/63/68/80/938636880.db2.gz MICLLDJMCXUWRS-YJBOKZPZSA-N 0 3 368.437 3.688 20 5 FHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000584440345 938887622 /nfs/dbraw/zinc/88/76/22/938887622.db2.gz OAQRAKKMQIPBOK-OAHLLOKOSA-N 0 3 370.453 3.799 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518471 939876556 /nfs/dbraw/zinc/87/65/56/939876556.db2.gz YTSSKPGYOMZYJG-CYBMUJFWSA-N 0 3 361.833 3.623 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179518471 939876563 /nfs/dbraw/zinc/87/65/63/939876563.db2.gz YTSSKPGYOMZYJG-CYBMUJFWSA-N 0 3 361.833 3.623 20 5 FHBDHN COc1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000179519224 939876671 /nfs/dbraw/zinc/87/66/71/939876671.db2.gz OPDGWMCLNRGVQO-UHFFFAOYSA-N 0 3 369.421 3.597 20 5 FHBDHN C[C@@H](NCCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000411462762 940051209 /nfs/dbraw/zinc/05/12/09/940051209.db2.gz VAXHFHZPVUMLHF-CYBMUJFWSA-N 0 3 361.829 3.605 20 5 FHBDHN C[C@H](NCCC(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000411772015 940115695 /nfs/dbraw/zinc/11/56/95/940115695.db2.gz PMJOWXKJEKMHHS-ZDUSSCGKSA-N 0 3 361.829 3.605 20 5 FHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000411890225 940154883 /nfs/dbraw/zinc/15/48/83/940154883.db2.gz WWIWDNFLBSTDHD-BBRMVZONSA-N 0 3 357.410 3.671 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NCCCOC[C@@H]2CCCO2)c2ccccc2)c1 ZINC000180022244 940249958 /nfs/dbraw/zinc/24/99/58/940249958.db2.gz QTOJHNMSDJAKQO-LEWJYISDSA-N 0 3 370.449 3.860 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003160 940328742 /nfs/dbraw/zinc/32/87/42/940328742.db2.gz WMYZZZHIILWDEL-HXUWFJFHSA-N 0 3 368.433 3.827 20 5 FHBDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000540962420 940990034 /nfs/dbraw/zinc/99/00/34/940990034.db2.gz VJPZCPREILYAPD-SJLPKXTDSA-N 0 3 369.465 3.956 20 5 FHBDHN CC(C)c1ccccc1OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393391 941003490 /nfs/dbraw/zinc/00/34/90/941003490.db2.gz QNVDRWPZZYSFBA-QAPCUYQASA-N 0 3 358.438 3.809 20 5 FHBDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353671 941029745 /nfs/dbraw/zinc/02/97/45/941029745.db2.gz ZAFYPDKNCRGUGD-CHWSQXEVSA-N 0 3 361.467 3.887 20 5 FHBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510497 941159541 /nfs/dbraw/zinc/15/95/41/941159541.db2.gz RNLBEVNBXPETGG-GJZGRUSLSA-N 0 3 371.890 3.841 20 5 FHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000311311224 941225977 /nfs/dbraw/zinc/22/59/77/941225977.db2.gz YBZCLFRBQONBAP-INIZCTEOSA-N 0 3 363.458 3.768 20 5 FHBDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414545662 941376933 /nfs/dbraw/zinc/37/69/33/941376933.db2.gz XEXCTVQCTXJMSN-HXUWFJFHSA-N 0 3 370.449 3.523 20 5 FHBDHN Cc1c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549230210 941681560 /nfs/dbraw/zinc/68/15/60/941681560.db2.gz LPTPKNHLEWETKR-INIZCTEOSA-N 0 3 361.829 3.589 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCS[C@H]3COCC[C@@H]32)o1 ZINC000091856040 941793110 /nfs/dbraw/zinc/79/31/10/941793110.db2.gz GVBFRMSTRKDSHX-WMZOPIPTSA-N 0 3 360.435 3.561 20 5 FHBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000182763080 941965786 /nfs/dbraw/zinc/96/57/86/941965786.db2.gz BQIVUTMMZFBTOL-UHFFFAOYSA-N 0 3 362.455 3.560 20 5 FHBDHN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000182756779 941965859 /nfs/dbraw/zinc/96/58/59/941965859.db2.gz NJOSELNDUSCYDR-YOEHRIQHSA-N 0 3 357.458 3.585 20 5 FHBDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000412257054 941992939 /nfs/dbraw/zinc/99/29/39/941992939.db2.gz MZNBKWGAPZPJJZ-GAZPGATBSA-N 0 3 367.449 3.506 20 5 FHBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000103484088 942268168 /nfs/dbraw/zinc/26/81/68/942268168.db2.gz MHEGNDFEHNTMMW-UHFFFAOYSA-N 0 3 371.437 3.765 20 5 FHBDHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1Cc1ccccc1 ZINC000312024070 942284775 /nfs/dbraw/zinc/28/47/75/942284775.db2.gz WYOWHLKUPHVCRY-BBRMVZONSA-N 0 3 373.840 3.641 20 5 FHBDHN O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104076520 942390255 /nfs/dbraw/zinc/39/02/55/942390255.db2.gz PEMRNFHBMQNOET-UHFFFAOYSA-N 0 3 357.385 3.732 20 5 FHBDHN Cc1nn(-c2ccccc2)cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549410081 942508613 /nfs/dbraw/zinc/50/86/13/942508613.db2.gz NVXSSTDPJPRTSK-UHFFFAOYSA-N 0 3 350.422 3.763 20 5 FHBDHN COc1ccc(-c2ccc(CN3CC[C@H](O)CC34CCC4)o2)c([N+](=O)[O-])c1 ZINC000421370531 942521940 /nfs/dbraw/zinc/52/19/40/942521940.db2.gz JRAFISIWYXOTAN-AWEZNQCLSA-N 0 3 372.421 3.743 20 5 FHBDHN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000016599500 942884827 /nfs/dbraw/zinc/88/48/27/942884827.db2.gz UBVDMBHWXJNSAJ-INIZCTEOSA-N 0 3 369.446 3.842 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000031987274 943002047 /nfs/dbraw/zinc/00/20/47/943002047.db2.gz ARZLWTNXKWKCAI-KRWDZBQOSA-N 0 3 361.467 3.778 20 5 FHBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000425235329 943020789 /nfs/dbraw/zinc/02/07/89/943020789.db2.gz IPLOLUGNKUDWSZ-HNNXBMFYSA-N 0 3 370.453 3.774 20 5 FHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000425246173 943050571 /nfs/dbraw/zinc/05/05/71/943050571.db2.gz XWHAJVFLXCXBQY-AWEZNQCLSA-N 0 3 367.453 3.595 20 5 FHBDHN CCCNC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236842676 943119761 /nfs/dbraw/zinc/11/97/61/943119761.db2.gz PNZRRDRIQNERLR-UHFFFAOYSA-N 0 3 365.817 3.514 20 5 FHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425275259 943160129 /nfs/dbraw/zinc/16/01/29/943160129.db2.gz NJDARCBXYDIORJ-LAUBAEHRSA-N 0 3 365.433 3.508 20 5 FHBDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000435234967 943271541 /nfs/dbraw/zinc/27/15/41/943271541.db2.gz BPORYYRMFIMZIU-OAHLLOKOSA-N 0 3 358.394 3.630 20 5 FHBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000162365761 943449485 /nfs/dbraw/zinc/44/94/85/943449485.db2.gz SHFRTVJPCIRFTD-CYBMUJFWSA-N 0 3 361.829 3.637 20 5 FHBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376470 944245666 /nfs/dbraw/zinc/24/56/66/944245666.db2.gz HUWLGEYRIHQRQA-ICSRJNTNSA-N 0 3 374.437 3.511 20 5 FHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000505804810 944252349 /nfs/dbraw/zinc/25/23/49/944252349.db2.gz GQLBTLTYHNCOCY-CQSZACIVSA-N 0 3 365.499 3.701 20 5 FHBDHN CN(c1ccccc1)c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000426504576 945021281 /nfs/dbraw/zinc/02/12/81/945021281.db2.gz OHTPWNNRRGZMOF-OAQYLSRUSA-N 0 3 367.449 3.710 20 5 FHBDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000516583914 945037540 /nfs/dbraw/zinc/03/75/40/945037540.db2.gz LVRJOPOARJVIGH-DKKFBQAASA-N 0 3 370.453 3.566 20 5 FHBDHN CCc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000018180261 945445519 /nfs/dbraw/zinc/44/55/19/945445519.db2.gz GGIPSERQUNEPHN-SFHVURJKSA-N 0 3 356.426 3.582 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000143163185 945853891 /nfs/dbraw/zinc/85/38/91/945853891.db2.gz GBFDAEIZJFNKLA-IBGZPJMESA-N 0 3 367.449 3.779 20 5 FHBDHN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000248647118 945981024 /nfs/dbraw/zinc/98/10/24/945981024.db2.gz SREXQJVFIHFUKR-IQUTYRLHSA-N 0 3 373.428 3.645 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778385 946097464 /nfs/dbraw/zinc/09/74/64/946097464.db2.gz FLCIWFUAHVYBEA-FUHWJXTLSA-N 0 3 374.485 3.748 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC=CCC3)o2)c(Cl)c1 ZINC000475484128 946397308 /nfs/dbraw/zinc/39/73/08/946397308.db2.gz CPRMFRBPRCPKKY-UHFFFAOYSA-N 0 3 361.829 3.860 20 5 FHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1Oc2ccccc2[C@H]1C ZINC000444678589 947102893 /nfs/dbraw/zinc/10/28/93/947102893.db2.gz ZLAZOJUVXMMVRJ-UFYHVXEKSA-N 0 3 352.394 3.514 20 5 FHBDHN Cc1c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000074448264 947170745 /nfs/dbraw/zinc/17/07/45/947170745.db2.gz WYCFXMPJSDSISO-GOSISDBHSA-N 0 3 367.449 3.640 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000523537118 947347034 /nfs/dbraw/zinc/34/70/34/947347034.db2.gz ANMRGTNLJZQWPQ-UHFFFAOYSA-N 0 3 353.422 3.646 20 5 FHBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001167808568 948002503 /nfs/dbraw/zinc/00/25/03/948002503.db2.gz SAUBNMNBVIFGOA-HNNXBMFYSA-N 0 3 369.421 3.601 20 5 FHBDHN CN(C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000432332395 948120063 /nfs/dbraw/zinc/12/00/63/948120063.db2.gz XKNPXECQBXIEDI-SFHVURJKSA-N 0 3 354.385 3.997 20 5 FHBDHN COc1cc2c(cc1OC)CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000512040351 948271908 /nfs/dbraw/zinc/27/19/08/948271908.db2.gz PQFUWDCOPHTGOH-UHFFFAOYSA-N 0 3 356.422 3.521 20 5 FHBDHN Cc1c(CN(C)CCc2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000512151975 948563078 /nfs/dbraw/zinc/56/30/78/948563078.db2.gz JQPCOPGWGKKPPQ-UHFFFAOYSA-N 0 3 352.394 3.628 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000571673186 948666230 /nfs/dbraw/zinc/66/62/30/948666230.db2.gz OTNGDYCLYGLLEX-ABAIWWIYSA-N 0 3 365.817 3.700 20 5 FHBDHN C[C@@H](NC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541833878 567929260 /nfs/dbraw/zinc/92/92/60/567929260.db2.gz SHBKRQPOKZWLPO-CYBMUJFWSA-N 0 3 374.416 3.985 20 5 FHBDHN CCC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537966 568038778 /nfs/dbraw/zinc/03/87/78/568038778.db2.gz VWZYCWXQCJMRRJ-UYAOXDASSA-N 0 3 358.438 3.774 20 5 FHBDHN CC(C)C[C@@H](CCO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072924392 568217793 /nfs/dbraw/zinc/21/77/93/568217793.db2.gz OLZYJFHHRNGAID-CQSZACIVSA-N 0 3 363.483 3.853 20 5 FHBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC000569181448 568305005 /nfs/dbraw/zinc/30/50/05/568305005.db2.gz KATXNSTWRHRRAN-UHFFFAOYSA-N 0 3 350.422 3.903 20 5 FHBDHN CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000569285319 568333454 /nfs/dbraw/zinc/33/34/54/568333454.db2.gz IKQHQBWFJQKTJR-GOSISDBHSA-N 0 3 373.478 3.658 20 5 FHBDHN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCN(C2CCCC2)CC1 ZINC001165028757 721855251 /nfs/dbraw/zinc/85/52/51/721855251.db2.gz QATSBLVXPCTKKF-UHFFFAOYSA-N 0 3 360.845 3.861 20 5 FHBDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000430141012 927212586 /nfs/dbraw/zinc/21/25/86/927212586.db2.gz WBCNAFISYIVQHF-AAEUAGOBSA-N 0 3 350.802 3.853 20 5 FHBDHN CSc1cccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186969478 927686230 /nfs/dbraw/zinc/68/62/30/927686230.db2.gz BYPXNQJXXSZAPX-CQSZACIVSA-N 0 3 373.478 3.567 20 5 FHBDHN Cc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000120611415 929094364 /nfs/dbraw/zinc/09/43/64/929094364.db2.gz SNJXNRQNOZYCNQ-UHFFFAOYSA-N 0 3 358.394 3.565 20 5 FHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294685 929355430 /nfs/dbraw/zinc/35/54/30/929355430.db2.gz BLFKUKXVPKGCQL-CVEARBPZSA-N 0 3 353.422 3.641 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000187209676 929538903 /nfs/dbraw/zinc/53/89/03/929538903.db2.gz FTIDXCCIFSLRCO-FZKQIMNGSA-N 0 3 373.478 3.738 20 5 FHBDHN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610004461 929772336 /nfs/dbraw/zinc/77/23/36/929772336.db2.gz LHYSZWHJOSJHSF-KRWDZBQOSA-N 0 3 356.397 3.871 20 5 FHBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C ZINC000275754772 930155929 /nfs/dbraw/zinc/15/59/29/930155929.db2.gz JQQYDDBAJCRGHN-GDBMZVCRSA-N 0 3 363.461 3.648 20 5 FHBDHN CN(C)c1ccccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610371191 930175160 /nfs/dbraw/zinc/17/51/60/930175160.db2.gz UQRWZIRMVKXWIE-UHFFFAOYSA-N 0 3 355.438 3.704 20 5 FHBDHN CSc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471556913 930494086 /nfs/dbraw/zinc/49/40/86/930494086.db2.gz SDUFLZYCOSSFED-ACJLOTCBSA-N 0 3 373.478 3.738 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccccc1OC(F)F ZINC000471560559 930538493 /nfs/dbraw/zinc/53/84/93/930538493.db2.gz XZVIZZBAMJTMMV-UHFFFAOYSA-N 0 3 366.364 3.927 20 5 FHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610475797 931545550 /nfs/dbraw/zinc/54/55/50/931545550.db2.gz MMWCBRGZDNFWCR-INIZCTEOSA-N 0 3 368.437 3.723 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477516019 932665595 /nfs/dbraw/zinc/66/55/95/932665595.db2.gz XZGLGQHYBUWZIA-KRWDZBQOSA-N 0 3 356.378 3.539 20 5 FHBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000471903076 933583637 /nfs/dbraw/zinc/58/36/37/933583637.db2.gz YYOYVGDERAEFNP-UHFFFAOYSA-N 0 3 373.428 3.500 20 5 FHBDHN CC[C@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051623 935092978 /nfs/dbraw/zinc/09/29/78/935092978.db2.gz RXSXKNDPBUACPO-HKUYNNGSSA-N 0 3 368.437 3.942 20 5 FHBDHN COc1cc(CN2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526464 945081252 /nfs/dbraw/zinc/08/12/52/945081252.db2.gz SYTSXBMVNQLWHP-WCQYABFASA-N 0 3 356.369 3.622 20 5 FHBDHN Cc1cc(F)cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000176683509 935843947 /nfs/dbraw/zinc/84/39/47/935843947.db2.gz IYEZKKZRIOHVPW-GOSISDBHSA-N 0 3 371.412 3.609 20 5 FHBDHN CN(CCN1CCCC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000728568953 938281155 /nfs/dbraw/zinc/28/11/55/938281155.db2.gz BPQVMOTVUFGPIO-UHFFFAOYSA-N 0 3 351.756 3.799 20 5 FHBDHN CN(C)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000047452699 945183712 /nfs/dbraw/zinc/18/37/12/945183712.db2.gz GTKHJWMZIQIGSF-UHFFFAOYSA-N 0 3 368.437 3.509 20 5 FHBDHN CC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158848906 938898566 /nfs/dbraw/zinc/89/85/66/938898566.db2.gz UDJMDFMYFUWPNB-LIRRHRJNSA-N 0 3 351.410 3.977 20 5 FHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(F)cccc21 ZINC000188052150 939017336 /nfs/dbraw/zinc/01/73/36/939017336.db2.gz STNGDOUFGSBJTL-PXAZEXFGSA-N 0 3 373.384 3.564 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN([C@H](C)c1ccco1)C1CC1 ZINC000411396859 940037520 /nfs/dbraw/zinc/03/75/20/940037520.db2.gz YFPFUDBCNSPISH-CYBMUJFWSA-N 0 3 373.409 3.751 20 5 FHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000124474476 945302005 /nfs/dbraw/zinc/30/20/05/945302005.db2.gz BGXAYWKHWRLGHK-MBNYWOFBSA-N 0 3 373.375 3.941 20 5 FHBDHN Cc1cnn([C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000584501901 940295661 /nfs/dbraw/zinc/29/56/61/940295661.db2.gz ZZVIBOCSSKMMJE-KRWDZBQOSA-N 0 3 352.394 3.807 20 5 FHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(-c2ccncc2)s1 ZINC000580011541 940430507 /nfs/dbraw/zinc/43/05/07/940430507.db2.gz JKENAVMRWBGKEJ-UHFFFAOYSA-N 0 3 354.435 3.788 20 5 FHBDHN CCN(CC)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000580825024 940486528 /nfs/dbraw/zinc/48/65/28/940486528.db2.gz JKPREQWFRSOBST-GFCCVEGCSA-N 0 3 361.427 3.688 20 5 FHBDHN CCCCOc1ncccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827124 940486530 /nfs/dbraw/zinc/48/65/30/940486530.db2.gz ICVRIHILJULVPG-DLBZAZTESA-N 0 3 373.457 3.639 20 5 FHBDHN Cc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173508540 940632707 /nfs/dbraw/zinc/63/27/07/940632707.db2.gz ALMGVMZZZLIXND-KRWDZBQOSA-N 0 3 367.449 3.640 20 5 FHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnccc1C(C)(C)C ZINC000414233679 940810915 /nfs/dbraw/zinc/81/09/15/940810915.db2.gz RPRMPELYDADRDF-CQSZACIVSA-N 0 3 370.453 3.794 20 5 FHBDHN C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402665 940999732 /nfs/dbraw/zinc/99/97/32/940999732.db2.gz CXSUHBHAPUYTML-MGPUTAFESA-N 0 3 366.417 3.839 20 5 FHBDHN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907549 941089958 /nfs/dbraw/zinc/08/99/58/941089958.db2.gz NMOAIRUXHABKGD-ZFWWWQNUSA-N 0 3 373.478 3.983 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOC2CCOCC2)c2ccccc2)c1 ZINC000180916299 941092339 /nfs/dbraw/zinc/09/23/39/941092339.db2.gz YSOXYMYKZWICPN-NRFANRHFSA-N 0 3 370.449 3.860 20 5 FHBDHN CCc1ccc([C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000513400102 941895571 /nfs/dbraw/zinc/89/55/71/941895571.db2.gz AWCUHOFTASWZEH-GOSISDBHSA-N 0 3 367.449 3.636 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000182629933 941940297 /nfs/dbraw/zinc/94/02/97/941940297.db2.gz UJJGKKLFMSOVGF-INIZCTEOSA-N 0 3 359.470 3.689 20 5 FHBDHN CC(C)c1ccc(CNCCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000513609286 942045504 /nfs/dbraw/zinc/04/55/04/942045504.db2.gz RNLSYMQZBCQLIV-UHFFFAOYSA-N 0 3 358.394 3.616 20 5 FHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000501849294 942076857 /nfs/dbraw/zinc/07/68/57/942076857.db2.gz MAQMWFRKPJAIHT-UHFFFAOYSA-N 0 3 365.792 3.848 20 5 FHBDHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1Cc1ccccc1 ZINC000312024085 942284461 /nfs/dbraw/zinc/28/44/61/942284461.db2.gz WYOWHLKUPHVCRY-CZUORRHYSA-N 0 3 373.840 3.641 20 5 FHBDHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1Cc1ccccc1 ZINC000312024090 942284655 /nfs/dbraw/zinc/28/46/55/942284655.db2.gz WYOWHLKUPHVCRY-XJKSGUPXSA-N 0 3 373.840 3.641 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000053170356 942292115 /nfs/dbraw/zinc/29/21/15/942292115.db2.gz BFFJSYCMRLPSED-UHFFFAOYSA-N 0 3 361.442 3.585 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000085635574 942321087 /nfs/dbraw/zinc/32/10/87/942321087.db2.gz FUAYVQSHIDHDKP-SFHVURJKSA-N 0 3 370.453 3.944 20 5 FHBDHN CC(C)[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504151 942482515 /nfs/dbraw/zinc/48/25/15/942482515.db2.gz YTMWFHKIXLNLKH-RTBURBONSA-N 0 3 371.412 3.826 20 5 FHBDHN COc1cc(CN(C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590657 942566780 /nfs/dbraw/zinc/56/67/80/942566780.db2.gz PHZWKFLHWGATMX-WCQYABFASA-N 0 3 358.385 3.868 20 5 FHBDHN O=C(CN[C@@H](c1ccccc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104697788 942597125 /nfs/dbraw/zinc/59/71/25/942597125.db2.gz CKJWZPMDMZNJGJ-NRFANRHFSA-N 0 3 365.433 3.615 20 5 FHBDHN O=C(CN[C@@H](c1ccccc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000104698736 942597984 /nfs/dbraw/zinc/59/79/84/942597984.db2.gz KCFCHGQTUNUJPO-NRFANRHFSA-N 0 3 365.433 3.615 20 5 FHBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000413293922 942613707 /nfs/dbraw/zinc/61/37/07/942613707.db2.gz OKSWEHWVQVJVBF-UHFFFAOYSA-N 0 3 371.437 3.590 20 5 FHBDHN CC[C@@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000422091301 942995214 /nfs/dbraw/zinc/99/52/14/942995214.db2.gz WGENABBTPQHGHL-CYBMUJFWSA-N 0 3 350.802 3.901 20 5 FHBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892328 943022251 /nfs/dbraw/zinc/02/22/51/943022251.db2.gz QJXMTNJSLLAQLB-UIAACRFSSA-N 0 3 365.433 3.578 20 5 FHBDHN Cc1ccc([C@H](C)NCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000162365898 943449167 /nfs/dbraw/zinc/44/91/67/943449167.db2.gz SHFRTVJPCIRFTD-ZDUSSCGKSA-N 0 3 361.829 3.637 20 5 FHBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000417346918 943526795 /nfs/dbraw/zinc/52/67/95/943526795.db2.gz GEYFQJIXPCRUHN-HAGHYFMRSA-N 0 3 370.453 3.567 20 5 FHBDHN COc1cc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000435739248 943591484 /nfs/dbraw/zinc/59/14/84/943591484.db2.gz FRPSPSXLHPBOSJ-SAZUREKKSA-N 0 3 360.385 3.787 20 5 FHBDHN Cc1ccc([C@@H](C)NCCNC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000424323594 943844590 /nfs/dbraw/zinc/84/45/90/943844590.db2.gz KVXMFTSXCHETKR-QGZVFWFLSA-N 0 3 369.465 3.693 20 5 FHBDHN COC(=O)[C@@H](CCNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425445307 943940145 /nfs/dbraw/zinc/94/01/45/943940145.db2.gz MQAWFZIDVXUNSG-INIZCTEOSA-N 0 3 356.422 3.766 20 5 FHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(C)C ZINC000120273746 943957773 /nfs/dbraw/zinc/95/77/73/943957773.db2.gz HWYMNEPXEBRRSP-LLVKDONJSA-N 0 3 372.263 3.662 20 5 FHBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000425493509 944112403 /nfs/dbraw/zinc/11/24/03/944112403.db2.gz OYGUHUDHCGULEB-CFVMTHIKSA-N 0 3 369.259 3.651 20 5 FHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000382118472 944180790 /nfs/dbraw/zinc/18/07/90/944180790.db2.gz WHPUQBONQMIPHN-ACJLOTCBSA-N 0 3 373.840 3.641 20 5 FHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000843740253 944627718 /nfs/dbraw/zinc/62/77/18/944627718.db2.gz QMMILNRJTWTHNC-AZUAARDMSA-N 0 3 365.433 3.660 20 5 FHBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](C)C1 ZINC000506259769 944711105 /nfs/dbraw/zinc/71/11/05/944711105.db2.gz NLMPPJOUOJEGFP-CHWSQXEVSA-N 0 3 361.467 3.660 20 5 FHBDHN CN(C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000522731100 945715643 /nfs/dbraw/zinc/71/56/43/945715643.db2.gz YXCZUWRQSBDOBL-UHFFFAOYSA-N 0 3 367.877 3.514 20 5 FHBDHN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000248647116 945981053 /nfs/dbraw/zinc/98/10/53/945981053.db2.gz SREXQJVFIHFUKR-CKFHNAJUSA-N 0 3 373.428 3.645 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778386 946097634 /nfs/dbraw/zinc/09/76/34/946097634.db2.gz FLCIWFUAHVYBEA-SJLPKXTDSA-N 0 3 374.485 3.748 20 5 FHBDHN COc1ccc(-c2ccc(CN3CCC[C@](C)(OC)C3)o2)c([N+](=O)[O-])c1 ZINC000475269433 946785480 /nfs/dbraw/zinc/78/54/80/946785480.db2.gz LNNQPDZRQKUZDK-IBGZPJMESA-N 0 3 360.410 3.864 20 5 FHBDHN CCc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319799 946852547 /nfs/dbraw/zinc/85/25/47/946852547.db2.gz IJSRVXLJRYQMEM-IBGZPJMESA-N 0 3 367.449 3.504 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000475361240 946953001 /nfs/dbraw/zinc/95/30/01/946953001.db2.gz FSHXZAHSXCTMIA-SUMWQHHRSA-N 0 3 374.462 3.954 20 5 FHBDHN CSc1cccc(C(=O)N(CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000186341413 946959558 /nfs/dbraw/zinc/95/95/58/946959558.db2.gz BOHGAEVZLDVMNP-UHFFFAOYSA-N 0 3 359.451 3.525 20 5 FHBDHN Cc1cccnc1[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000120910194 947420782 /nfs/dbraw/zinc/42/07/82/947420782.db2.gz WAIDUYCIKKZFJY-SFHVURJKSA-N 0 3 356.426 3.614 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000523862236 947672708 /nfs/dbraw/zinc/67/27/08/947672708.db2.gz MMHYPMCRDPELPF-QGZVFWFLSA-N 0 3 373.428 3.891 20 5 FHBDHN COC(=O)COc1ccc(CN[C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000473986674 947893360 /nfs/dbraw/zinc/89/33/60/947893360.db2.gz KONZBWOFOQREMD-OAHLLOKOSA-N 0 3 372.421 3.614 20 5 FHBDHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000549617752 948092363 /nfs/dbraw/zinc/09/23/63/948092363.db2.gz WEPTVPYPKYDNIZ-MRXNPFEDSA-N 0 3 361.829 3.589 20 5 FHBDHN COc1ccccc1CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524002721 948756789 /nfs/dbraw/zinc/75/67/89/948756789.db2.gz WCTQIDVUVUQETH-UHFFFAOYSA-N 0 3 370.449 3.937 20 5 FHBDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414147 567908693 /nfs/dbraw/zinc/90/86/93/567908693.db2.gz OEVMLQBTLVJKSX-AAEUAGOBSA-N 0 3 358.385 3.868 20 5 FHBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000481495984 567997854 /nfs/dbraw/zinc/99/78/54/567997854.db2.gz NSCRNDZQHUZVCY-ACJLOTCBSA-N 0 3 364.829 3.993 20 5 FHBDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000481495989 568006616 /nfs/dbraw/zinc/00/66/16/568006616.db2.gz NSCRNDZQHUZVCY-UGSOOPFHSA-N 0 3 364.829 3.993 20 5 FHBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200088 568075956 /nfs/dbraw/zinc/07/59/56/568075956.db2.gz MYDPPFUDEYNGEV-HUUCEWRRSA-N 0 3 368.437 3.926 20 5 FHBDHN Cc1ccc(Sc2ccc(C(=O)NC[C@H](C)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000033093250 568451037 /nfs/dbraw/zinc/45/10/37/568451037.db2.gz FLYJGIUKJAKQDH-AWEZNQCLSA-N 0 3 373.478 3.734 20 5 FHBDHN COc1cccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N(C)C)c1 ZINC000097335768 927341570 /nfs/dbraw/zinc/34/15/70/927341570.db2.gz UVTTVWWXIUHDHC-LJQANCHMSA-N 0 3 366.421 3.866 20 5 FHBDHN COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000246873234 927858584 /nfs/dbraw/zinc/85/85/84/927858584.db2.gz QDKUIFOMHVCKBW-IEBWSBKVSA-N 0 3 374.412 3.831 20 5 FHBDHN Cc1ccc(C[C@H](CO)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000466898970 928262078 /nfs/dbraw/zinc/26/20/78/928262078.db2.gz DZRZBVBHFXRMQN-GOSISDBHSA-N 0 3 366.417 3.856 20 5 FHBDHN Cc1ccc(C[C@@H](CO)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000466898971 928262721 /nfs/dbraw/zinc/26/27/21/928262721.db2.gz DZRZBVBHFXRMQN-SFHVURJKSA-N 0 3 366.417 3.856 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)CC3)o2)c(Cl)c1 ZINC000127045950 928429233 /nfs/dbraw/zinc/42/92/33/928429233.db2.gz MFYOIBLKYMVSNR-UHFFFAOYSA-N 0 3 350.802 3.713 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(F)c(F)c1 ZINC000044438858 937280135 /nfs/dbraw/zinc/28/01/35/937280135.db2.gz VHEMNWFUMHYTDB-UHFFFAOYSA-N 0 3 363.364 3.642 20 5 FHBDHN CC(=O)c1cc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561236468 931340944 /nfs/dbraw/zinc/34/09/44/931340944.db2.gz RNFGTHNBQFUIEY-RDTXWAMCSA-N 0 3 353.422 3.872 20 5 FHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175872800 931425957 /nfs/dbraw/zinc/42/59/57/931425957.db2.gz ORTLDCMCEPEXLR-JKSUJKDBSA-N 0 3 352.456 3.615 20 5 FHBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000458204488 934375868 /nfs/dbraw/zinc/37/58/68/934375868.db2.gz QSFTWJSTWVTYMM-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN CC[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000535810287 934418796 /nfs/dbraw/zinc/41/87/96/934418796.db2.gz BOOOBWONVHBRJP-OXQOHEQNSA-N 0 3 355.438 3.565 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001167568082 935585398 /nfs/dbraw/zinc/58/53/98/935585398.db2.gz MWVPLQGUWUVXLW-OAQYLSRUSA-N 0 3 370.449 3.697 20 5 FHBDHN O=C(NCCCN1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277793685 935952301 /nfs/dbraw/zinc/95/23/01/935952301.db2.gz NLGMYKSFCQRCOL-UHFFFAOYSA-N 0 3 363.461 3.699 20 5 FHBDHN CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644781 936022270 /nfs/dbraw/zinc/02/22/70/936022270.db2.gz LHZQDSONPDQJSL-AWEZNQCLSA-N 0 3 356.426 3.976 20 5 FHBDHN Cc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000584191556 938636984 /nfs/dbraw/zinc/63/69/84/938636984.db2.gz MICLLDJMCXUWRS-QAPCUYQASA-N 0 3 368.437 3.688 20 5 FHBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000437356058 945268910 /nfs/dbraw/zinc/26/89/10/945268910.db2.gz WGDJYRFYPUUNEP-CABCVRRESA-N 0 3 358.394 3.676 20 5 FHBDHN Cn1cc(CN2CCC[C@@H]2c2cccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179704141 939924192 /nfs/dbraw/zinc/92/41/92/939924192.db2.gz LOBYWDGPYKAEKC-LJQANCHMSA-N 0 3 365.437 3.671 20 5 FHBDHN CCOc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196605 940080309 /nfs/dbraw/zinc/08/03/09/940080309.db2.gz AYYLPXNPHYMJOE-XLIONFOSSA-N 0 3 356.422 3.861 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOC[C@@H]2CCCO2)c2ccccc2)c1 ZINC000180022228 940250184 /nfs/dbraw/zinc/25/01/84/940250184.db2.gz QTOJHNMSDJAKQO-SFTDATJTSA-N 0 3 370.449 3.860 20 5 FHBDHN Cn1ncc2ccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc21 ZINC000580807917 940488099 /nfs/dbraw/zinc/48/80/99/940488099.db2.gz DYRLBMKBDOCAJN-GOSISDBHSA-N 0 3 350.422 3.994 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000414321513 940961527 /nfs/dbraw/zinc/96/15/27/940961527.db2.gz FDEVSZVQKJRVFD-HIFRSBDPSA-N 0 3 358.467 3.825 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@@H]43)o2)cc1 ZINC000180454505 941022885 /nfs/dbraw/zinc/02/28/85/941022885.db2.gz ZASZDWAABGYXCU-WMZOPIPTSA-N 0 3 360.435 3.561 20 5 FHBDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395635 941157037 /nfs/dbraw/zinc/15/70/37/941157037.db2.gz OQOIQSLBDLROAK-QWHCGFSZSA-N 0 3 361.467 3.841 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414535460 941375602 /nfs/dbraw/zinc/37/56/02/941375602.db2.gz IFCIUJJEACTACA-FQEVSTJZSA-N 0 3 370.449 3.523 20 5 FHBDHN C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)CN1 ZINC000415183907 941657899 /nfs/dbraw/zinc/65/78/99/941657899.db2.gz CQDWNKQUSCWMPQ-KBPBESRZSA-N 0 3 370.409 3.601 20 5 FHBDHN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H](C)CN1 ZINC000415183910 941657937 /nfs/dbraw/zinc/65/79/37/941657937.db2.gz CQDWNKQUSCWMPQ-ZIAGYGMSSA-N 0 3 370.409 3.601 20 5 FHBDHN CCN(CC)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000513179662 941773326 /nfs/dbraw/zinc/77/33/26/941773326.db2.gz UFCPVYKDWOGIAG-LBPRGKRZSA-N 0 3 365.484 3.861 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3Cc4ccccc4O3)o2)c1 ZINC000517545158 941958515 /nfs/dbraw/zinc/95/85/15/941958515.db2.gz GBGMTUBUDWTOGI-GOSISDBHSA-N 0 3 350.374 3.948 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1C ZINC001269735154 942444839 /nfs/dbraw/zinc/44/48/39/942444839.db2.gz VEQPAWBJGYQXCX-DNVCBOLYSA-N 0 3 355.438 3.633 20 5 FHBDHN CN(CCOc1ccccc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661932 942566709 /nfs/dbraw/zinc/56/67/09/942566709.db2.gz RWRCTQUWWHNOLM-UHFFFAOYSA-N 0 3 367.405 3.803 20 5 FHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CC=CCC1 ZINC000544110073 942843744 /nfs/dbraw/zinc/84/37/44/942843744.db2.gz JVFFXAJTHKJNBN-CHWSQXEVSA-N 0 3 351.834 3.863 20 5 FHBDHN CCN1CCC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000584449863 942923176 /nfs/dbraw/zinc/92/31/76/942923176.db2.gz LDKRXMHVQDAHHV-SECBINFHSA-N 0 3 368.306 3.540 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCCN3C3CC3)cs2)c1 ZINC000434782729 942961715 /nfs/dbraw/zinc/96/17/15/942961715.db2.gz DNKHFCZPYJOEQX-GOSISDBHSA-N 0 3 372.494 3.825 20 5 FHBDHN CCc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000514510982 943073309 /nfs/dbraw/zinc/07/33/09/943073309.db2.gz HWIVBTXYHVJJIB-LJQANCHMSA-N 0 3 370.453 3.890 20 5 FHBDHN COc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371504 943145420 /nfs/dbraw/zinc/14/54/20/943145420.db2.gz BRNLQBACBQSYLB-MRXNPFEDSA-N 0 3 370.453 3.516 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(-n3cncn3)cc1)CCCC2 ZINC000417302145 943496022 /nfs/dbraw/zinc/49/60/22/943496022.db2.gz CCRYMYNVZOXJKS-FQEVSTJZSA-N 0 3 363.421 3.733 20 5 FHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389987 943567456 /nfs/dbraw/zinc/56/74/56/943567456.db2.gz QEDBRSSUOVWECR-APWZRJJASA-N 0 3 361.392 3.613 20 5 FHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(C)C ZINC000120273586 943958159 /nfs/dbraw/zinc/95/81/59/943958159.db2.gz HWYMNEPXEBRRSP-NSHDSACASA-N 0 3 372.263 3.662 20 5 FHBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)N2CCCC2)c1 ZINC000092582880 944027041 /nfs/dbraw/zinc/02/70/41/944027041.db2.gz ZRJNVUMEVQGDCH-SFHVURJKSA-N 0 3 356.426 3.556 20 5 FHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000425463860 944027840 /nfs/dbraw/zinc/02/78/40/944027840.db2.gz YTLPLEQESZLDTB-ZYHUDNBSSA-N 0 3 365.174 3.607 20 5 FHBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000500069611 944052896 /nfs/dbraw/zinc/05/28/96/944052896.db2.gz ISDZTBXJDGBVPP-RHSMWYFYSA-N 0 3 357.410 3.990 20 5 FHBDHN Cc1nc2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2s1 ZINC000425988118 944538790 /nfs/dbraw/zinc/53/87/90/944538790.db2.gz DUOMPXMJYRZISF-UHFFFAOYSA-N 0 3 357.439 3.547 20 5 FHBDHN CCN(CC)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccsc1 ZINC000541576555 944567883 /nfs/dbraw/zinc/56/78/83/944567883.db2.gz NJYHKULFXXQJQZ-INIZCTEOSA-N 0 3 371.466 3.516 20 5 FHBDHN COc1cc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(F)cn1 ZINC000517768895 944577056 /nfs/dbraw/zinc/57/70/56/944577056.db2.gz TURCUMUDPBRMTQ-SNVBAGLBSA-N 0 3 353.781 3.684 20 5 FHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(CCc2cccs2)CC1 ZINC000507064967 944926567 /nfs/dbraw/zinc/92/65/67/944926567.db2.gz PICCZPBWRACDIB-UTCJRWHESA-N 0 3 357.479 3.530 20 5 FHBDHN Cc1ccccc1[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000507184185 945015249 /nfs/dbraw/zinc/01/52/49/945015249.db2.gz TUNIGVBABPUJAA-INIZCTEOSA-N 0 3 364.405 3.943 20 5 FHBDHN COc1cc(CN2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507671369 945422709 /nfs/dbraw/zinc/42/27/09/945422709.db2.gz ZRSBEUNRXGFOHA-MRXNPFEDSA-N 0 3 356.422 3.677 20 5 FHBDHN Cc1cccc([N+](=O)[O-])c1OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000760022389 945530198 /nfs/dbraw/zinc/53/01/98/945530198.db2.gz MBARQDDTIOFYCE-UHFFFAOYSA-N 0 3 354.406 3.721 20 5 FHBDHN CC[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751158 945646881 /nfs/dbraw/zinc/64/68/81/945646881.db2.gz RNLQGEDKFMWKEN-IFXJQAMLSA-N 0 3 351.410 3.977 20 5 FHBDHN COc1c([O-])ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000894526212 945912047 /nfs/dbraw/zinc/91/20/47/945912047.db2.gz MDLWQQKPRDDPBE-TXEJJXNPSA-N 0 3 362.348 3.862 20 5 FHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000894526212 945912057 /nfs/dbraw/zinc/91/20/57/945912057.db2.gz MDLWQQKPRDDPBE-TXEJJXNPSA-N 0 3 362.348 3.862 20 5 FHBDHN COc1ccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000475451257 945990003 /nfs/dbraw/zinc/99/00/03/945990003.db2.gz IJFYHAAOIAWBLU-SFHVURJKSA-N 0 3 371.437 3.861 20 5 FHBDHN Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000109505074 946319414 /nfs/dbraw/zinc/31/94/14/946319414.db2.gz WKRSPCHBBHJORB-FQEVSTJZSA-N 0 3 367.449 3.779 20 5 FHBDHN COCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127174302 946334919 /nfs/dbraw/zinc/33/49/19/946334919.db2.gz HLFHMUMDDQZUDW-UHFFFAOYSA-N 0 3 366.421 3.526 20 5 FHBDHN CN(C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000111220740 946411573 /nfs/dbraw/zinc/41/15/73/946411573.db2.gz OFVDJMJSSVAFJK-GOSISDBHSA-N 0 3 354.385 3.997 20 5 FHBDHN CN(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000111220738 946411977 /nfs/dbraw/zinc/41/19/77/946411977.db2.gz OFVDJMJSSVAFJK-SFHVURJKSA-N 0 3 354.385 3.997 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000475555474 946640099 /nfs/dbraw/zinc/64/00/99/946640099.db2.gz MTDGSHQPTJPARP-QGZVFWFLSA-N 0 3 370.453 3.506 20 5 FHBDHN CCc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319801 946852926 /nfs/dbraw/zinc/85/29/26/946852926.db2.gz IJSRVXLJRYQMEM-LJQANCHMSA-N 0 3 367.449 3.504 20 5 FHBDHN CN(c1ccccc1)c1ccc(CNCc2ncccc2O)cc1[N+](=O)[O-] ZINC000475356042 946937513 /nfs/dbraw/zinc/93/75/13/946937513.db2.gz XXWPEIOLAUOIQR-UHFFFAOYSA-N 0 3 364.405 3.753 20 5 FHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000475361811 946953870 /nfs/dbraw/zinc/95/38/70/946953870.db2.gz KMUAUHQSUQNRBX-ZFWWWQNUSA-N 0 3 374.462 3.954 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074446254 947068160 /nfs/dbraw/zinc/06/81/60/947068160.db2.gz DZCINNLKZWNAHI-LJQANCHMSA-N 0 3 367.449 3.640 20 5 FHBDHN CC(C)(C(=O)N1CCN(CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000523506112 947336909 /nfs/dbraw/zinc/33/69/09/947336909.db2.gz ACNZJUPDIDWCBG-UHFFFAOYSA-N 0 3 373.497 3.597 20 5 FHBDHN Cc1c(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248400406 947913531 /nfs/dbraw/zinc/91/35/31/947913531.db2.gz XPKWUYQQPDWUQC-KDOFPFPSSA-N 0 3 368.437 3.545 20 5 FHBDHN Cc1noc(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000105469814 948037856 /nfs/dbraw/zinc/03/78/56/948037856.db2.gz VOJNIIPUHMTLCU-UHFFFAOYSA-N 0 3 372.356 3.550 20 5 FHBDHN CC1(C)C[C@@H](NCc2ccc(-n3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279178573 948588254 /nfs/dbraw/zinc/58/82/54/948588254.db2.gz VKBHETOPBPPZFZ-LJQANCHMSA-N 0 3 363.421 3.688 20 5 FHBDHN CCN(CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898006 948673941 /nfs/dbraw/zinc/67/39/41/948673941.db2.gz SPDCDRQCMAOXHK-UHFFFAOYSA-N 0 3 350.422 3.980 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000071906179 221386778 /nfs/dbraw/zinc/38/67/78/221386778.db2.gz XPZKZNPPTDKJGZ-GOSISDBHSA-N 0 3 370.405 3.582 20 5 FHBDHN COc1ccc(CN(Cc2ccccc2)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000568102951 567883445 /nfs/dbraw/zinc/88/34/45/567883445.db2.gz XIEGSWSDIRPYFR-UHFFFAOYSA-N 0 3 370.449 3.911 20 5 FHBDHN CCC[C@H](NC[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537962 568043868 /nfs/dbraw/zinc/04/38/68/568043868.db2.gz VWZYCWXQCJMRRJ-ICSRJNTNSA-N 0 3 358.438 3.774 20 5 FHBDHN Cc1c(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000568977225 568257099 /nfs/dbraw/zinc/25/70/99/568257099.db2.gz QTJPCPCBVSEJTM-MRXNPFEDSA-N 0 3 368.355 3.615 20 5 FHBDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255684 568321017 /nfs/dbraw/zinc/32/10/17/568321017.db2.gz CSIPUMKSOWQWMD-NHYWBVRUSA-N 0 3 374.466 3.824 20 5 FHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1c1ccccc1 ZINC000569298011 568344359 /nfs/dbraw/zinc/34/43/59/568344359.db2.gz NWHFQAFVSPINJL-QZTJIDSGSA-N 0 3 356.422 3.562 20 5 FHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1 ZINC000569842914 568422189 /nfs/dbraw/zinc/42/21/89/568422189.db2.gz BWQAEWCFEMAFRD-SFHVURJKSA-N 0 3 371.437 3.547 20 5 FHBDHN Cc1ccc(Sc2ccc(C(=O)NC[C@@H](C)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000033093251 568451028 /nfs/dbraw/zinc/45/10/28/568451028.db2.gz FLYJGIUKJAKQDH-CQSZACIVSA-N 0 3 373.478 3.734 20 5 FHBDHN CC(C)(C)C1=CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000570081773 568457550 /nfs/dbraw/zinc/45/75/50/568457550.db2.gz VTLFAXBUAAELHP-UHFFFAOYSA-N 0 3 372.469 3.570 20 5 FHBDHN COc1cccc(N2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252447 568529357 /nfs/dbraw/zinc/52/93/57/568529357.db2.gz BANSREGPZVVFNY-HZPDHXFCSA-N 0 3 355.438 3.841 20 5 FHBDHN C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN(Cc2ccccc2)C1 ZINC000584723876 568550191 /nfs/dbraw/zinc/55/01/91/568550191.db2.gz PHANVOUKRMEFRC-IBGZPJMESA-N 0 3 372.400 3.520 20 5 FHBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164624673 719055240 /nfs/dbraw/zinc/05/52/40/719055240.db2.gz OUGUICJUVQIIQE-CRAIPNDOSA-N 0 3 372.856 3.744 20 5 FHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2CCc2ccccc2)c1 ZINC001167070769 928211860 /nfs/dbraw/zinc/21/18/60/928211860.db2.gz IUUGCTSLWDKDOG-LJQANCHMSA-N 0 3 368.433 3.979 20 5 FHBDHN Cc1cccnc1C(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000583232961 937263525 /nfs/dbraw/zinc/26/35/25/937263525.db2.gz LOQIUDVZQOHTER-UHFFFAOYSA-N 0 3 365.380 3.967 20 5 FHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000134014469 929639924 /nfs/dbraw/zinc/63/99/24/929639924.db2.gz UFWSWYKWNVBLOH-ICSRJNTNSA-N 0 3 365.433 3.660 20 5 FHBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676377 929834741 /nfs/dbraw/zinc/83/47/41/929834741.db2.gz BTYXXPYWCKLNBV-VLIAUNLRSA-N 0 3 363.461 3.506 20 5 FHBDHN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459159 930700537 /nfs/dbraw/zinc/70/05/37/930700537.db2.gz FDHPIHWMFOVECZ-KXBFYZLASA-N 0 3 357.454 3.865 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccsc1 ZINC000471613393 931058137 /nfs/dbraw/zinc/05/81/37/931058137.db2.gz XMMNMWUHHJRDNS-KGLIPLIRSA-N 0 3 352.481 3.850 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCO[C@H](C4CC4)C3)cs2)c1 ZINC000157091409 931834266 /nfs/dbraw/zinc/83/42/66/931834266.db2.gz GHVYHINPIQQCHH-PBHICJAKSA-N 0 3 359.451 3.766 20 5 FHBDHN COc1cccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000178075336 932312205 /nfs/dbraw/zinc/31/22/05/932312205.db2.gz JGOITNKGRUAUIM-UHFFFAOYSA-N 0 3 369.421 3.597 20 5 FHBDHN Cc1noc([C@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000091832682 933678573 /nfs/dbraw/zinc/67/85/73/933678573.db2.gz BXPZTDXOJHIPLZ-AWEZNQCLSA-N 0 3 368.393 3.926 20 5 FHBDHN CCC[C@@H](NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453349 934587076 /nfs/dbraw/zinc/58/70/76/934587076.db2.gz MYAZCAJKBSURFK-GOSISDBHSA-N 0 3 359.401 3.595 20 5 FHBDHN CCO[C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000610930439 934626331 /nfs/dbraw/zinc/62/63/31/934626331.db2.gz DGOZUQMUSYQEMR-HNNXBMFYSA-N 0 3 360.410 3.864 20 5 FHBDHN Cc1ccccc1[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000539260372 935117081 /nfs/dbraw/zinc/11/70/81/935117081.db2.gz BFKXPJFIBFUZQO-OAQYLSRUSA-N 0 3 367.449 3.779 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(Cc3ccccc3C)CC2)n1 ZINC000611615892 935814141 /nfs/dbraw/zinc/81/41/41/935814141.db2.gz KOMILYXFDYFKNY-UHFFFAOYSA-N 0 3 354.454 3.627 20 5 FHBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277733912 935865715 /nfs/dbraw/zinc/86/57/15/935865715.db2.gz OKRNNNOABYUILK-OAHLLOKOSA-N 0 3 363.461 3.507 20 5 FHBDHN C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649345 936031681 /nfs/dbraw/zinc/03/16/81/936031681.db2.gz DDOKKKKEQVVBHZ-INIZCTEOSA-N 0 3 363.417 3.656 20 5 FHBDHN CC(C)C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000277979016 936301873 /nfs/dbraw/zinc/30/18/73/936301873.db2.gz MEIXSTVCMOEFGV-HNNXBMFYSA-N 0 3 365.477 3.800 20 5 FHBDHN Cc1c(NC(=O)CCN2CCS[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246085410 938337704 /nfs/dbraw/zinc/33/77/04/938337704.db2.gz GBFOBFFVUKUUKD-IAGOWNOFSA-N 0 3 363.483 3.592 20 5 FHBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397637 938385984 /nfs/dbraw/zinc/38/59/84/938385984.db2.gz FKZLFHYFVNJVLB-ORAYPTAESA-N 0 3 365.433 3.842 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(F)cc1 ZINC000583888331 938467572 /nfs/dbraw/zinc/46/75/72/938467572.db2.gz IDYCSYZOSGKQGG-HZPDHXFCSA-N 0 3 364.442 3.928 20 5 FHBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000052802822 938595864 /nfs/dbraw/zinc/59/58/64/938595864.db2.gz WOFIWXNNOXVGJJ-MRXNPFEDSA-N 0 3 355.438 3.795 20 5 FHBDHN CCN1CCC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000584449864 938903164 /nfs/dbraw/zinc/90/31/64/938903164.db2.gz LDKRXMHVQDAHHV-VIFPVBQESA-N 0 3 368.306 3.540 20 5 FHBDHN CSc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000536214591 938928740 /nfs/dbraw/zinc/92/87/40/938928740.db2.gz KYYVDTZHDAPPFC-UHFFFAOYSA-N 0 3 359.451 3.939 20 5 FHBDHN C[C@@H](NCCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000411453850 940049528 /nfs/dbraw/zinc/04/95/28/940049528.db2.gz JZKWZJGKMCSTDR-FOIQADDNSA-N 0 3 367.449 3.829 20 5 FHBDHN C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402631 941000008 /nfs/dbraw/zinc/00/00/08/941000008.db2.gz CXSUHBHAPUYTML-YWZLYKJASA-N 0 3 366.417 3.839 20 5 FHBDHN COC(=O)c1cc2cc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000180437761 941014772 /nfs/dbraw/zinc/01/47/72/941014772.db2.gz YLOFRDZCJNKWGR-LBPRGKRZSA-N 0 3 354.362 3.978 20 5 FHBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000189170326 941149343 /nfs/dbraw/zinc/14/93/43/941149343.db2.gz ZMNCQKDWTLNRPT-MRXNPFEDSA-N 0 3 367.449 3.529 20 5 FHBDHN C[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311929197 941659276 /nfs/dbraw/zinc/65/92/76/941659276.db2.gz FYFDVNYPJJGVNA-GUYCJALGSA-N 0 3 373.840 3.641 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CN2CCCCC2=O)CC1 ZINC000182877679 941977332 /nfs/dbraw/zinc/97/73/32/941977332.db2.gz NMLRWIKEAVDJKJ-MRXNPFEDSA-N 0 3 359.470 3.689 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000085620748 942031730 /nfs/dbraw/zinc/03/17/30/942031730.db2.gz QIGAUCZQVLBEKF-QGZVFWFLSA-N 0 3 356.426 3.636 20 5 FHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000549365741 942060348 /nfs/dbraw/zinc/06/03/48/942060348.db2.gz CCVFDRAJUWRFKD-NWDGAFQWSA-N 0 3 373.375 3.606 20 5 FHBDHN CO[C@]1(C)CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572640 942209772 /nfs/dbraw/zinc/20/97/72/942209772.db2.gz SCIMHMYOSYWRNW-FZKQIMNGSA-N 0 3 360.414 3.597 20 5 FHBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000103484085 942268209 /nfs/dbraw/zinc/26/82/09/942268209.db2.gz MUOGXONJCCMWSC-UHFFFAOYSA-N 0 3 371.437 3.765 20 5 FHBDHN COc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000237148499 942285447 /nfs/dbraw/zinc/28/54/47/942285447.db2.gz JGVFYVHTRYSVHV-UHFFFAOYSA-N 0 3 370.327 3.791 20 5 FHBDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccccc1[N+](=O)[O-] ZINC000502241899 942302959 /nfs/dbraw/zinc/30/29/59/942302959.db2.gz JRKNLECTLLVSBP-UHFFFAOYSA-N 0 3 369.343 3.956 20 5 FHBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC(CO)CC1 ZINC000290659694 942337195 /nfs/dbraw/zinc/33/71/95/942337195.db2.gz ZNXYKSPVTWBKEZ-UHFFFAOYSA-N 0 3 361.467 3.701 20 5 FHBDHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630276 942754455 /nfs/dbraw/zinc/75/44/55/942754455.db2.gz LJBNCJJUZIBLDR-GJZGRUSLSA-N 0 3 370.405 3.740 20 5 FHBDHN Cc1ccc(C[C@@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000513754949 942756323 /nfs/dbraw/zinc/75/63/23/942756323.db2.gz OOXJPNMTOZQJKJ-IBGZPJMESA-N 0 3 368.433 3.977 20 5 FHBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000378613919 942959842 /nfs/dbraw/zinc/95/98/42/942959842.db2.gz AHIPUMGSFVLPRX-SJORKVTESA-N 0 3 371.462 3.535 20 5 FHBDHN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)N(C)C ZINC000505607622 943165777 /nfs/dbraw/zinc/16/57/77/943165777.db2.gz MNBRATZENQBPSM-DJJJIMSYSA-N 0 3 367.405 3.762 20 5 FHBDHN CC(C)Oc1ccc([C@H](CNCc2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000515250259 943586226 /nfs/dbraw/zinc/58/62/26/943586226.db2.gz XTBMDCWJAUYQIP-KRWDZBQOSA-N 0 3 363.483 3.836 20 5 FHBDHN CCOc1ccc([C@@H](C)NCCOc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504905124 943903321 /nfs/dbraw/zinc/90/33/21/943903321.db2.gz CPVQSTYGGQORKP-CQSZACIVSA-N 0 3 360.410 3.732 20 5 FHBDHN COc1cc(CNCCSC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237146280 944255199 /nfs/dbraw/zinc/25/51/99/944255199.db2.gz VXNZURGRWMFERD-UHFFFAOYSA-N 0 3 362.451 3.635 20 5 FHBDHN CC(C)COc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425976364 944472640 /nfs/dbraw/zinc/47/26/40/944472640.db2.gz FVMKREFFOOESNX-UHFFFAOYSA-N 0 3 358.442 3.663 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000438367850 944538904 /nfs/dbraw/zinc/53/89/04/944538904.db2.gz XWSMXYDHOWTQGT-DOTOQJQBSA-N 0 3 356.422 3.810 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3Cc4ccccc4O3)o2)cc1 ZINC000518772542 944729247 /nfs/dbraw/zinc/72/92/47/944729247.db2.gz KDTCGNHBJBVHGW-GOSISDBHSA-N 0 3 350.374 3.948 20 5 FHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000438527776 944734757 /nfs/dbraw/zinc/73/47/57/944734757.db2.gz DUVMZAGMCIEJTE-UHFFFAOYSA-N 0 3 373.434 3.607 20 5 FHBDHN Cc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278903 944774833 /nfs/dbraw/zinc/77/48/33/944774833.db2.gz CKSLUBVUUINLSC-YJBOKZPZSA-N 0 3 368.437 3.860 20 5 FHBDHN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000518140035 945050561 /nfs/dbraw/zinc/05/05/61/945050561.db2.gz OCSFJFJULJQHCM-GOSISDBHSA-N 0 3 370.453 3.946 20 5 FHBDHN CCc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000018180257 945445597 /nfs/dbraw/zinc/44/55/97/945445597.db2.gz GGIPSERQUNEPHN-GOSISDBHSA-N 0 3 356.426 3.582 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475561028 946666244 /nfs/dbraw/zinc/66/62/44/946666244.db2.gz XEQYYGKUTBRLCG-XJKSGUPXSA-N 0 3 360.385 3.874 20 5 FHBDHN COc1cccc([C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)N(C)C)c1 ZINC000237310114 946717165 /nfs/dbraw/zinc/71/71/65/946717165.db2.gz MJZBJDXRYDATLQ-GOSISDBHSA-N 0 3 363.845 3.649 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248368845 946874177 /nfs/dbraw/zinc/87/41/77/946874177.db2.gz VQJBPLNAMOLDAQ-IRXDYDNUSA-N 0 3 367.449 3.798 20 5 FHBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475314302 946874233 /nfs/dbraw/zinc/87/42/33/946874233.db2.gz SSANQFAQMWUNFJ-KRWDZBQOSA-N 0 3 373.840 3.595 20 5 FHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248368846 946874360 /nfs/dbraw/zinc/87/43/60/946874360.db2.gz VQJBPLNAMOLDAQ-SJORKVTESA-N 0 3 367.449 3.798 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458888538 946938813 /nfs/dbraw/zinc/93/88/13/946938813.db2.gz LWGDBZWIADCFQW-INIZCTEOSA-N 0 3 362.474 3.563 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)Cc3ccccc3)o2)cc1 ZINC000105492967 948043517 /nfs/dbraw/zinc/04/35/17/948043517.db2.gz FPSDSXDRSHJKBB-SFHVURJKSA-N 0 3 352.390 3.548 20 5 FHBDHN CCc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126286502 948059370 /nfs/dbraw/zinc/05/93/70/948059370.db2.gz QKZAEHDHAMHWNN-LJQANCHMSA-N 0 3 367.449 3.552 20 5 FHBDHN Cc1c([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000152106705 948743064 /nfs/dbraw/zinc/74/30/64/948743064.db2.gz ZCULWMWICFUXHQ-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1c([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000128524201 567831023 /nfs/dbraw/zinc/83/10/23/567831023.db2.gz UCNYLMMRRSVQPY-INIZCTEOSA-N 0 3 367.449 3.876 20 5 FHBDHN CC(C)OCCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602601373 568000556 /nfs/dbraw/zinc/00/05/56/568000556.db2.gz KIHBHSQGROXENY-UHFFFAOYSA-N 0 3 351.266 3.714 20 5 FHBDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000481495986 568005494 /nfs/dbraw/zinc/00/54/94/568005494.db2.gz NSCRNDZQHUZVCY-FZKQIMNGSA-N 0 3 364.829 3.993 20 5 FHBDHN COc1cc(CN2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000481597703 568064152 /nfs/dbraw/zinc/06/41/52/568064152.db2.gz MSCCPZOLAIHALC-LBPRGKRZSA-N 0 3 358.385 3.869 20 5 FHBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291639848 568236468 /nfs/dbraw/zinc/23/64/68/568236468.db2.gz GFNNXSAMWBYXEM-JTQLQIEISA-N 0 3 374.268 3.704 20 5 FHBDHN COc1cc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)ccc1[N+](=O)[O-] ZINC000541955072 568280593 /nfs/dbraw/zinc/28/05/93/568280593.db2.gz UYXAPFAPKZEANA-AWEZNQCLSA-N 0 3 366.421 3.948 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000569635369 568411559 /nfs/dbraw/zinc/41/15/59/568411559.db2.gz ZXTKKOIPHFGFSW-OALUTQOASA-N 0 3 366.465 3.565 20 5 FHBDHN COc1ccc(-c2ccc(CN(C)[C@@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000570008898 568449427 /nfs/dbraw/zinc/44/94/27/568449427.db2.gz JXSMKXKNJBXBGU-CQSZACIVSA-N 0 3 362.426 3.702 20 5 FHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248024 568466324 /nfs/dbraw/zinc/46/63/24/568466324.db2.gz HOEHNFIBCAIBQF-IDKBZEPQSA-N 0 3 367.453 3.873 20 5 FHBDHN CCN(CCN1CCCCCC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000482234117 568487508 /nfs/dbraw/zinc/48/75/08/568487508.db2.gz WCGPEXMCQMFHGK-UHFFFAOYSA-N 0 3 362.474 3.941 20 5 FHBDHN CC1(C)[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCO[C@@H]21 ZINC000153934667 927566722 /nfs/dbraw/zinc/56/67/22/927566722.db2.gz YGSSLFSMOZCVIE-PMPSAXMXSA-N 0 3 359.451 3.621 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274868181 928918986 /nfs/dbraw/zinc/91/89/86/928918986.db2.gz DEKVETCZDKNPFI-OAHLLOKOSA-N 0 3 369.469 3.772 20 5 FHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294688 929355305 /nfs/dbraw/zinc/35/53/05/929355305.db2.gz BLFKUKXVPKGCQL-JKSUJKDBSA-N 0 3 353.422 3.641 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000548010745 929937062 /nfs/dbraw/zinc/93/70/62/929937062.db2.gz ZLMXMRYKPIIJSA-WBVHZDCISA-N 0 3 354.454 3.987 20 5 FHBDHN CC[C@@H]1c2ccccc2CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610369660 930173305 /nfs/dbraw/zinc/17/33/05/930173305.db2.gz RLMLHTILDPKGHB-GOSISDBHSA-N 0 3 356.422 3.992 20 5 FHBDHN CN(C)c1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000610371188 930174088 /nfs/dbraw/zinc/17/40/88/930174088.db2.gz PSVNZUSZMJSDDF-UHFFFAOYSA-N 0 3 355.438 3.704 20 5 FHBDHN CCc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471539400 930246766 /nfs/dbraw/zinc/24/67/66/930246766.db2.gz KWHGODVGZADNJS-KUHUBIRLSA-N 0 3 355.438 3.578 20 5 FHBDHN CC(C)Oc1ccc([C@H](CNCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000583403949 937412106 /nfs/dbraw/zinc/41/21/06/937412106.db2.gz ZCJLMZKJZSOGMH-FQEVSTJZSA-N 0 3 357.454 3.775 20 5 FHBDHN Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3CCCC3)c2)cc1[N+](=O)[O-] ZINC000177839418 931268241 /nfs/dbraw/zinc/26/82/41/931268241.db2.gz ARNXKXSUTWNGDC-MRXNPFEDSA-N 0 3 367.449 3.990 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397372 932377286 /nfs/dbraw/zinc/37/72/86/932377286.db2.gz BOQWALBPCAAMPH-HOCLYGCPSA-N 0 3 351.410 3.578 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1c(C)cccc1C ZINC000610804507 934440027 /nfs/dbraw/zinc/44/00/27/934440027.db2.gz TUDIZHXYQNGPPG-SJLPKXTDSA-N 0 3 358.438 3.611 20 5 FHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000071895722 934946381 /nfs/dbraw/zinc/94/63/81/934946381.db2.gz JJNASMQVYUVRLA-LJQANCHMSA-N 0 3 359.401 3.992 20 5 FHBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000277876551 936076244 /nfs/dbraw/zinc/07/62/44/936076244.db2.gz CEMMSPXKJWZFNY-HUUCEWRRSA-N 0 3 363.461 3.648 20 5 FHBDHN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000458771449 938553036 /nfs/dbraw/zinc/55/30/36/938553036.db2.gz MPSXXVAPPOSMPO-QMTMVMCOSA-N 0 3 370.453 3.646 20 5 FHBDHN CSc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584432849 938871601 /nfs/dbraw/zinc/87/16/01/938871601.db2.gz YWCOZWWPAWXDRS-GOSISDBHSA-N 0 3 373.478 3.658 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)c2ccc(F)cc2)o1 ZINC000102420765 939018593 /nfs/dbraw/zinc/01/85/93/939018593.db2.gz TVYQBFLCXHPMKF-SFHVURJKSA-N 0 3 356.353 3.817 20 5 FHBDHN Cc1c([C@H](C)NCc2cccc(Cn3ccnc3)c2)cccc1[N+](=O)[O-] ZINC000151333434 945231591 /nfs/dbraw/zinc/23/15/91/945231591.db2.gz ARBWBDZQSFYAGY-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000411472757 940047088 /nfs/dbraw/zinc/04/70/88/940047088.db2.gz IDJAPIFERSUFKC-OAHLLOKOSA-N 0 3 353.422 3.533 20 5 FHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(CN2CCCCC2)c1 ZINC000411578519 940064989 /nfs/dbraw/zinc/06/49/89/940064989.db2.gz CCEGSCGXDQUIHH-UHFFFAOYSA-N 0 3 367.449 3.553 20 5 FHBDHN CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577372 940158654 /nfs/dbraw/zinc/15/86/54/940158654.db2.gz AWWARUUZMKMJBA-OAQYLSRUSA-N 0 3 373.497 3.906 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411998699 940180182 /nfs/dbraw/zinc/18/01/82/940180182.db2.gz LNHMUUKNOXNRHB-HXUWFJFHSA-N 0 3 368.433 3.827 20 5 FHBDHN COc1ccc(OCCNC(C)(C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173323321 940609216 /nfs/dbraw/zinc/60/92/16/940609216.db2.gz KCCIYRVVOACIMY-UHFFFAOYSA-N 0 3 360.410 3.516 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507599570 945360464 /nfs/dbraw/zinc/36/04/64/945360464.db2.gz KEQHJNHRKBQJSG-CZUORRHYSA-N 0 3 373.840 3.814 20 5 FHBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353674 941029675 /nfs/dbraw/zinc/02/96/75/941029675.db2.gz ZAFYPDKNCRGUGD-STQMWFEESA-N 0 3 361.467 3.887 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NCCCOC[C@H]2CCOC2)c2ccccc2)c1 ZINC000180604916 941052550 /nfs/dbraw/zinc/05/25/50/941052550.db2.gz ZNMZEBKAWYRDDV-DYESRHJHSA-N 0 3 370.449 3.717 20 5 FHBDHN CC(C)N1CC[C@H](N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907589 941089997 /nfs/dbraw/zinc/08/99/97/941089997.db2.gz NMOAIRUXHABKGD-HIFRSBDPSA-N 0 3 373.478 3.983 20 5 FHBDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395685 941157167 /nfs/dbraw/zinc/15/71/67/941157167.db2.gz OQOIQSLBDLROAK-CHWSQXEVSA-N 0 3 361.467 3.841 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189783065 941276757 /nfs/dbraw/zinc/27/67/57/941276757.db2.gz UIHFGICMQLFUNF-QFBILLFUSA-N 0 3 368.437 3.779 20 5 FHBDHN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181537900 941538292 /nfs/dbraw/zinc/53/82/92/941538292.db2.gz SMEDBFLIQFHWHV-ZIAGYGMSSA-N 0 3 352.394 3.927 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H](C4CCOCC4)C3)cs2)c1 ZINC000377247821 941592986 /nfs/dbraw/zinc/59/29/86/941592986.db2.gz CLKCZOMFXKIARZ-MRXNPFEDSA-N 0 3 373.478 3.967 20 5 FHBDHN C[C@@H](c1ccco1)N(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000119269573 941875531 /nfs/dbraw/zinc/87/55/31/941875531.db2.gz WGIKVJXXPLKBLH-ZDUSSCGKSA-N 0 3 371.393 3.711 20 5 FHBDHN Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501836964 942085325 /nfs/dbraw/zinc/08/53/25/942085325.db2.gz NOJQITXEEYTRMA-SFHVURJKSA-N 0 3 368.437 3.862 20 5 FHBDHN CCN1CCc2c(cccc2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000366388412 942266333 /nfs/dbraw/zinc/26/63/33/942266333.db2.gz JYJNMLXUDXIYSX-UHFFFAOYSA-N 0 3 371.462 3.947 20 5 FHBDHN COc1ccc(OCCN[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580115 942341100 /nfs/dbraw/zinc/34/11/00/942341100.db2.gz GNUZCMJAHJEYGI-NSHDSACASA-N 0 3 352.337 3.611 20 5 FHBDHN CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000501385419 942454301 /nfs/dbraw/zinc/45/43/01/942454301.db2.gz DHSZODAGZLVTJI-SFHVURJKSA-N 0 3 368.437 3.553 20 5 FHBDHN O=C(CN[C@H](c1ccccc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000104698740 942597337 /nfs/dbraw/zinc/59/73/37/942597337.db2.gz KCFCHGQTUNUJPO-OAQYLSRUSA-N 0 3 365.433 3.615 20 5 FHBDHN COc1cccc(NC2CCN([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245263 943049179 /nfs/dbraw/zinc/04/91/79/943049179.db2.gz WJBWBTPYGFRHKF-CQSZACIVSA-N 0 3 356.426 3.636 20 5 FHBDHN COc1cc(CN(C)[C@@H](C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505589324 943112008 /nfs/dbraw/zinc/11/20/08/943112008.db2.gz ZZZJQXASTNLABR-NSHDSACASA-N 0 3 358.385 3.868 20 5 FHBDHN CCOc1ccc([C@H](C)N[C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922060 943900887 /nfs/dbraw/zinc/90/08/87/943900887.db2.gz XDPJDMLXGSJJAB-MNOVXSKESA-N 0 3 350.337 3.612 20 5 FHBDHN CO[C@@](C)([C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425476996 944072373 /nfs/dbraw/zinc/07/23/73/944072373.db2.gz NUFZDTUUEOYHBE-BMIGLBTASA-N 0 3 357.248 3.651 20 5 FHBDHN CCO[C@H]1C[C@](CO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376469 944245629 /nfs/dbraw/zinc/24/56/29/944245629.db2.gz HUWLGEYRIHQRQA-AZUAARDMSA-N 0 3 374.437 3.511 20 5 FHBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379411 944265281 /nfs/dbraw/zinc/26/52/81/944265281.db2.gz XUFMKORLGJIRLG-UYAOXDASSA-N 0 3 374.437 3.511 20 5 FHBDHN CCc1ccc([C@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000843759034 944579973 /nfs/dbraw/zinc/57/99/73/944579973.db2.gz YUYDWJCIIZTHTM-SFHVURJKSA-N 0 3 373.428 3.637 20 5 FHBDHN O=c1[nH]ccc2c1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000426383528 944621982 /nfs/dbraw/zinc/62/19/82/944621982.db2.gz BHCHETMUYGSMDU-UHFFFAOYSA-N 0 3 367.430 3.982 20 5 FHBDHN CC(C)(C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000517806588 944654412 /nfs/dbraw/zinc/65/44/12/944654412.db2.gz QOXHRKDOCUVDKS-UHFFFAOYSA-N 0 3 368.865 3.834 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507599326 944664214 /nfs/dbraw/zinc/66/42/14/944664214.db2.gz XBEGFPOATQHMPL-UKRRQHHQSA-N 0 3 373.840 3.814 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181745303 945635364 /nfs/dbraw/zinc/63/53/64/945635364.db2.gz HHLJUFBTEZPEBW-LSDHHAIUSA-N 0 3 351.410 3.896 20 5 FHBDHN CC[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751197 945648265 /nfs/dbraw/zinc/64/82/65/945648265.db2.gz RNLQGEDKFMWKEN-AUUYWEPGSA-N 0 3 351.410 3.977 20 5 FHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522877442 946047522 /nfs/dbraw/zinc/04/75/22/946047522.db2.gz IOHYYPDNZQBDGD-GOSISDBHSA-N 0 3 373.840 3.815 20 5 FHBDHN CC1(C)O[C@@H]2C[C@@H](NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2O1 ZINC000897051204 946550836 /nfs/dbraw/zinc/55/08/36/946550836.db2.gz UYMNFCNXGNJFQZ-UOJUARBOSA-N 0 3 361.225 3.674 20 5 FHBDHN Cc1c([C@H](C)NCc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000178445277 946561850 /nfs/dbraw/zinc/56/18/50/946561850.db2.gz OCZCDLYBTNSOGQ-HNNXBMFYSA-N 0 3 353.422 3.881 20 5 FHBDHN CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC1CCC1 ZINC000475581281 946747120 /nfs/dbraw/zinc/74/71/20/946747120.db2.gz NURRKTGSITUFAK-UHFFFAOYSA-N 0 3 358.385 3.869 20 5 FHBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000475339701 946907782 /nfs/dbraw/zinc/90/77/82/946907782.db2.gz RIXFBGUNPZBSIF-XJKSGUPXSA-N 0 3 360.385 3.874 20 5 FHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000475361810 946954159 /nfs/dbraw/zinc/95/41/59/946954159.db2.gz KMUAUHQSUQNRBX-UKRRQHHQSA-N 0 3 374.462 3.954 20 5 FHBDHN C[C@H](c1cc2ccccc2o1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374643 947231030 /nfs/dbraw/zinc/23/10/30/947231030.db2.gz SERZMLUVYYJUGY-GDBMZVCRSA-N 0 3 370.405 3.774 20 5 FHBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001167808569 948002966 /nfs/dbraw/zinc/00/29/66/948002966.db2.gz SAUBNMNBVIFGOA-OAHLLOKOSA-N 0 3 369.421 3.601 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000182077267 948537153 /nfs/dbraw/zinc/53/71/53/948537153.db2.gz KZVJBYFHEDZAAO-CQSZACIVSA-N 0 3 373.478 3.567 20 5 FHBDHN CN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053617785 221047601 /nfs/dbraw/zinc/04/76/01/221047601.db2.gz ZMSKQYMTSQPGJS-IBGZPJMESA-N 0 3 355.438 3.935 20 5 FHBDHN CCC[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582672 568059817 /nfs/dbraw/zinc/05/98/17/568059817.db2.gz OUBXAUBAHOMQOU-PKOBYXMFSA-N 0 3 362.401 3.605 20 5 FHBDHN Cc1ccc([C@@H](C)NCCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000482033043 568232956 /nfs/dbraw/zinc/23/29/56/568232956.db2.gz NEQWLVURLICECO-MRXNPFEDSA-N 0 3 350.422 3.982 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000541932659 568242657 /nfs/dbraw/zinc/24/26/57/568242657.db2.gz TZRIWKFBGWKMNX-UHFFFAOYSA-N 0 3 369.469 3.745 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000482083340 568257686 /nfs/dbraw/zinc/25/76/86/568257686.db2.gz MGRRFECDCSHXPH-QGZVFWFLSA-N 0 3 374.416 3.775 20 5 FHBDHN Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000569658948 568416443 /nfs/dbraw/zinc/41/64/43/568416443.db2.gz NEBUTHDWKMEQSZ-UHFFFAOYSA-N 0 3 365.227 3.834 20 5 FHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248028 568466238 /nfs/dbraw/zinc/46/62/38/568466238.db2.gz HOEHNFIBCAIBQF-SHRNQRGKSA-N 0 3 367.453 3.873 20 5 FHBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164624680 719055515 /nfs/dbraw/zinc/05/55/15/719055515.db2.gz OUGUICJUVQIIQE-QAPCUYQASA-N 0 3 372.856 3.744 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471136921 927725241 /nfs/dbraw/zinc/72/52/41/927725241.db2.gz OIHIRSVULZFOMU-JXFKEZNVSA-N 0 3 369.465 3.941 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241221 927833311 /nfs/dbraw/zinc/83/33/11/927833311.db2.gz OGJJZIITGMMBGU-SFHVURJKSA-N 0 3 363.421 3.760 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000430209132 928090691 /nfs/dbraw/zinc/09/06/91/928090691.db2.gz XASVUWOPBIRQPC-QGZVFWFLSA-N 0 3 366.421 3.618 20 5 FHBDHN Cc1cccc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000471184869 928706364 /nfs/dbraw/zinc/70/63/64/928706364.db2.gz CMXUQNGNFCNSOU-UHFFFAOYSA-N 0 3 352.394 3.628 20 5 FHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000134014670 929639953 /nfs/dbraw/zinc/63/99/53/929639953.db2.gz UFWSWYKWNVBLOH-QUCCMNQESA-N 0 3 365.433 3.660 20 5 FHBDHN Cc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000127175505 931864012 /nfs/dbraw/zinc/86/40/12/931864012.db2.gz NPPXZNRZTPZVRO-HNNXBMFYSA-N 0 3 351.410 3.677 20 5 FHBDHN CN(C(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879223 933357906 /nfs/dbraw/zinc/35/79/06/933357906.db2.gz MXWBXLVXWVZGDG-YPLUBFQTSA-N 0 3 365.433 3.593 20 5 FHBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000458206284 934376776 /nfs/dbraw/zinc/37/67/76/934376776.db2.gz UCNYHAQTRRNCMT-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccn(-c2ccccc2)n1)C1CC1 ZINC000539067280 935008618 /nfs/dbraw/zinc/00/86/18/935008618.db2.gz DTCULVISJGHQLB-HXUWFJFHSA-N 0 3 362.433 3.891 20 5 FHBDHN CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255819 935117051 /nfs/dbraw/zinc/11/70/51/935117051.db2.gz QZFHCXWFQZBJEQ-MOPGFXCFSA-N 0 3 353.422 3.749 20 5 FHBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511080214 935314710 /nfs/dbraw/zinc/31/47/10/935314710.db2.gz HUGVMLURDGMEDP-CQSZACIVSA-N 0 3 368.359 3.690 20 5 FHBDHN COc1ccc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611395108 935354245 /nfs/dbraw/zinc/35/42/45/935354245.db2.gz BQCBMJRQJKERQI-GOSISDBHSA-N 0 3 369.421 3.673 20 5 FHBDHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000540474927 935464621 /nfs/dbraw/zinc/46/46/21/935464621.db2.gz HFRBGIUWAOQLIY-AEFFLSMTSA-N 0 3 358.438 3.611 20 5 FHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000176683203 935843809 /nfs/dbraw/zinc/84/38/09/935843809.db2.gz QOVFDWRJNCDCRG-GOSISDBHSA-N 0 3 373.428 3.637 20 5 FHBDHN CCOc1cccc2cc([C@H](C)NCCn3c(C)ncc3[N+](=O)[O-])oc21 ZINC000611696696 935936145 /nfs/dbraw/zinc/93/61/45/935936145.db2.gz KAWPVOMKBMXSSS-LBPRGKRZSA-N 0 3 358.398 3.595 20 5 FHBDHN CCSc1cc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000187795136 936019582 /nfs/dbraw/zinc/01/95/82/936019582.db2.gz HKRAYWNIZFTECU-CYBMUJFWSA-N 0 3 374.466 3.609 20 5 FHBDHN COc1ccc(OCCN(C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000472255594 936068090 /nfs/dbraw/zinc/06/80/90/936068090.db2.gz HFCQAOJMUXCVPO-UHFFFAOYSA-N 0 3 356.378 3.860 20 5 FHBDHN Cc1ccc(C[C@@H](CO)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000466912734 938275096 /nfs/dbraw/zinc/27/50/96/938275096.db2.gz MZGYIXUQPCIMLZ-KRWDZBQOSA-N 0 3 366.417 3.856 20 5 FHBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000289936110 938909319 /nfs/dbraw/zinc/90/93/19/938909319.db2.gz VKYJSOPIIQKAPB-QFBILLFUSA-N 0 3 371.437 3.682 20 5 FHBDHN Cc1noc([C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000179712358 939924689 /nfs/dbraw/zinc/92/46/89/939924689.db2.gz SOYNYNGOXJXHHZ-HNNXBMFYSA-N 0 3 368.393 3.926 20 5 FHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000065936655 940079766 /nfs/dbraw/zinc/07/97/66/940079766.db2.gz PGOMCQKIOGWIQZ-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN CN(c1ccccc1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065956275 940106818 /nfs/dbraw/zinc/10/68/18/940106818.db2.gz DALJWLRQDREJIW-UHFFFAOYSA-N 0 3 355.438 3.574 20 5 FHBDHN CCOc1ccccc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756665 940113306 /nfs/dbraw/zinc/11/33/06/940113306.db2.gz JONGPXBKECYCST-UHFFFAOYSA-N 0 3 371.437 3.847 20 5 FHBDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033061 940219262 /nfs/dbraw/zinc/21/92/62/940219262.db2.gz BJNBJLYLCISJPL-LBPRGKRZSA-N 0 3 366.368 3.791 20 5 FHBDHN Cc1ccccc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000160516431 940494097 /nfs/dbraw/zinc/49/40/97/940494097.db2.gz QNYMAIYJFOVRGI-UHFFFAOYSA-N 0 3 350.422 3.936 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320442 940665328 /nfs/dbraw/zinc/66/53/28/940665328.db2.gz CWTUXEVHWYMWJV-PBHICJAKSA-N 0 3 373.453 3.711 20 5 FHBDHN C[C@@H](C1CC1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000582565519 940727191 /nfs/dbraw/zinc/72/71/91/940727191.db2.gz AOXDKAJUXYFZND-INIZCTEOSA-N 0 3 367.449 3.858 20 5 FHBDHN CCCOC1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000582897239 940932904 /nfs/dbraw/zinc/93/29/04/940932904.db2.gz BWJXWILBLKBWDI-UHFFFAOYSA-N 0 3 366.458 3.831 20 5 FHBDHN CC(C)c1ccccc1OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393372 941003559 /nfs/dbraw/zinc/00/35/59/941003559.db2.gz QNVDRWPZZYSFBA-CRAIPNDOSA-N 0 3 358.438 3.809 20 5 FHBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511507694 941033778 /nfs/dbraw/zinc/03/37/78/941033778.db2.gz QXOIJGQPDCJCQZ-QJWRSFSASA-N 0 3 359.470 3.625 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000729333244 941720748 /nfs/dbraw/zinc/72/07/48/941720748.db2.gz SSKNQOSLUKMTRO-JLHYYAGUSA-N 0 3 359.470 3.579 20 5 FHBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416017751 942266578 /nfs/dbraw/zinc/26/65/78/942266578.db2.gz VTEUODXFCVDUQI-INIZCTEOSA-N 0 3 366.421 3.610 20 5 FHBDHN O=C(CCN[C@H](CC(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420992957 942294130 /nfs/dbraw/zinc/29/41/30/942294130.db2.gz LLYMYHGGSLHYGV-OAHLLOKOSA-N 0 3 363.364 3.910 20 5 FHBDHN CSc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000188090225 942333899 /nfs/dbraw/zinc/33/38/99/942333899.db2.gz WXHUBDYYUNPXGC-MRXNPFEDSA-N 0 3 373.478 3.658 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336325 942501085 /nfs/dbraw/zinc/50/10/85/942501085.db2.gz OUTZBJHDDDJGNL-RNJTYBCJSA-N 0 3 371.437 3.537 20 5 FHBDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000421365287 942517360 /nfs/dbraw/zinc/51/73/60/942517360.db2.gz BBEOGGDTYUOPQG-DGCLKSJQSA-N 0 3 350.802 3.853 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104701862 942617772 /nfs/dbraw/zinc/61/77/72/942617772.db2.gz HQTQOYBNODFHEN-HXUWFJFHSA-N 0 3 369.421 3.673 20 5 FHBDHN CN(C(=O)CN[C@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104704234 942618319 /nfs/dbraw/zinc/61/83/19/942618319.db2.gz HAXNYPUDLGFUPS-FQEVSTJZSA-N 0 3 371.412 3.828 20 5 FHBDHN CC1(C)C[C@@H](NCc2ccc(NC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000278971708 942632441 /nfs/dbraw/zinc/63/24/41/942632441.db2.gz CCEGSGJGOVFGAO-QGZVFWFLSA-N 0 3 354.410 3.598 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000557635415 942672284 /nfs/dbraw/zinc/67/22/84/942672284.db2.gz ZUEXUMVRPSJYQD-UHFFFAOYSA-N 0 3 353.850 3.586 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000378501878 942831999 /nfs/dbraw/zinc/83/19/99/942831999.db2.gz ZUWCKJFFSJEGLD-QFBILLFUSA-N 0 3 371.481 3.689 20 5 FHBDHN C[C@@H]1[C@H](c2ccccc2)CCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892327 943022396 /nfs/dbraw/zinc/02/23/96/943022396.db2.gz QJXMTNJSLLAQLB-CDHQVMDDSA-N 0 3 365.433 3.578 20 5 FHBDHN C[C@]1(CCc2ccccc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000434910867 943046151 /nfs/dbraw/zinc/04/61/51/943046151.db2.gz WJVPVQZZZYLENP-NRFANRHFSA-N 0 3 367.449 3.539 20 5 FHBDHN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000505574830 943062915 /nfs/dbraw/zinc/06/29/15/943062915.db2.gz LUULZZUTCKPPDD-DNVCBOLYSA-N 0 3 369.465 3.680 20 5 FHBDHN COc1cc(CNCCc2ccc(SC)cc2)c([N+](=O)[O-])cc1OC ZINC000435727464 943571322 /nfs/dbraw/zinc/57/13/22/943571322.db2.gz XZQPUBLZYOFKNL-UHFFFAOYSA-N 0 3 362.451 3.666 20 5 FHBDHN O=C([C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCCC1 ZINC000435736223 943589381 /nfs/dbraw/zinc/58/93/81/943589381.db2.gz VETXPXOYUZRBAO-HIFRSBDPSA-N 0 3 365.861 3.519 20 5 FHBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000382118478 944180805 /nfs/dbraw/zinc/18/08/05/944180805.db2.gz WHPUQBONQMIPHN-SCLBCKFNSA-N 0 3 373.840 3.641 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000438999110 944255550 /nfs/dbraw/zinc/25/55/50/944255550.db2.gz LNPPODSVBBEYLJ-FZDIXFNVSA-N 0 3 362.470 3.755 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)Cc3ccc(F)cc3)o2)cc1 ZINC000500241402 944325585 /nfs/dbraw/zinc/32/55/85/944325585.db2.gz HLXJOHILTFKWHY-KRWDZBQOSA-N 0 3 370.380 3.687 20 5 FHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(F)c1 ZINC000105701089 944356972 /nfs/dbraw/zinc/35/69/72/944356972.db2.gz HTGAXHZGDUASSZ-SFHVURJKSA-N 0 3 354.385 3.997 20 5 FHBDHN CC1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000515981465 944394149 /nfs/dbraw/zinc/39/41/49/944394149.db2.gz VVLOBCAIEOWNQJ-FQEVSTJZSA-N 0 3 367.449 3.798 20 5 FHBDHN Cc1cccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506191650 944430918 /nfs/dbraw/zinc/43/09/18/944430918.db2.gz QUFHFMLFWQBCON-UHFFFAOYSA-N 0 3 350.422 3.936 20 5 FHBDHN CCN1CCC[C@@H](CN(C)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509606759 944754392 /nfs/dbraw/zinc/75/43/92/944754392.db2.gz CRPNVLRFVTVYAK-OXJNMPFZSA-N 0 3 371.485 3.546 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749552 944853038 /nfs/dbraw/zinc/85/30/38/944853038.db2.gz AFFOJSCNKWILQL-YOEHRIQHSA-N 0 3 354.410 3.552 20 5 FHBDHN O=[N+]([O-])c1ccc(CNCCc2sccc2Br)c(F)c1 ZINC000713093902 944884477 /nfs/dbraw/zinc/88/44/77/944884477.db2.gz OSXNXUFLRVCPJU-UHFFFAOYSA-N 0 3 359.220 3.890 20 5 FHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107071805 945480015 /nfs/dbraw/zinc/48/00/15/945480015.db2.gz OYAGAJWLVGMTJW-LSDHHAIUSA-N 0 3 371.437 3.898 20 5 FHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000473619731 945581225 /nfs/dbraw/zinc/58/12/25/945581225.db2.gz RQYVAFJYYNUJBK-UHFFFAOYSA-N 0 3 373.453 3.824 20 5 FHBDHN CN(C)Cc1ccc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546244923 945834124 /nfs/dbraw/zinc/83/41/24/945834124.db2.gz DQVBFOMDFDJEGW-GHXNOFRVSA-N 0 3 350.378 3.877 20 5 FHBDHN CSc1cccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186485357 946396262 /nfs/dbraw/zinc/39/62/62/946396262.db2.gz BLUOLLWYMMSNGP-AWEZNQCLSA-N 0 3 373.478 3.567 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000475544091 946630034 /nfs/dbraw/zinc/63/00/34/946630034.db2.gz FJGGFWSNEHKVOZ-UHFFFAOYSA-N 0 3 362.474 3.797 20 5 FHBDHN O=[N+]([O-])c1ccc(CCN2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000523702124 947528068 /nfs/dbraw/zinc/52/80/68/947528068.db2.gz QLQDXOVBMZOZCD-UHFFFAOYSA-N 0 3 362.376 3.959 20 5 FHBDHN O=[N+]([O-])c1cccc2c(N3CCN(CCc4ccccc4)CC3)ccnc21 ZINC000432337822 948156443 /nfs/dbraw/zinc/15/64/43/948156443.db2.gz SRJOXBDTJZHPBD-UHFFFAOYSA-N 0 3 362.433 3.508 20 5 FHBDHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000485008709 948190270 /nfs/dbraw/zinc/19/02/70/948190270.db2.gz NLZLCJWQGQVTPT-HOCLYGCPSA-N 0 3 370.405 3.740 20 5 FHBDHN CCc1cc(NC2CCN(C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053555736 221047178 /nfs/dbraw/zinc/04/71/78/221047178.db2.gz UGLNCFIPRVTCKH-UHFFFAOYSA-N 0 3 367.453 3.653 20 5 FHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(Cl)cc1 ZINC000481406689 567904057 /nfs/dbraw/zinc/90/40/57/567904057.db2.gz PLJGDRPEMVINMY-ZDUSSCGKSA-N 0 3 361.829 3.798 20 5 FHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1noc2c1CCCC2 ZINC000568446987 568039085 /nfs/dbraw/zinc/03/90/85/568039085.db2.gz XLOUPARTFQRBFB-WMLDXEAASA-N 0 3 355.438 3.963 20 5 FHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(CCC(F)(F)F)CC2)c1 ZINC000291160032 568067223 /nfs/dbraw/zinc/06/72/23/568067223.db2.gz MABCYGFYILMCAT-UHFFFAOYSA-N 0 3 365.783 3.755 20 5 FHBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000568675639 568120028 /nfs/dbraw/zinc/12/00/28/568120028.db2.gz QTJGJGLMIFQWCF-HNNXBMFYSA-N 0 3 365.499 3.700 20 5 FHBDHN CCN(Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000604568571 568314377 /nfs/dbraw/zinc/31/43/77/568314377.db2.gz HZKJWPHXFVBSIH-UHFFFAOYSA-N 0 3 353.422 3.509 20 5 FHBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)nc1-c1ccccc1 ZINC000301873017 721862214 /nfs/dbraw/zinc/86/22/14/721862214.db2.gz LBGHVIOFJSHSNC-UHFFFAOYSA-N 0 3 352.438 3.721 20 5 FHBDHN Cc1ccc([C@H](C)NCCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000165508716 930207424 /nfs/dbraw/zinc/20/74/24/930207424.db2.gz QJXUVKKCGBFBBP-ZDUSSCGKSA-N 0 3 361.829 3.637 20 5 FHBDHN CN(C)C1(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1 ZINC000275908174 930823269 /nfs/dbraw/zinc/82/32/69/930823269.db2.gz SBSXPEMMRHHVRS-UHFFFAOYSA-N 0 3 363.461 3.650 20 5 FHBDHN CCS[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175872819 931425916 /nfs/dbraw/zinc/42/59/16/931425916.db2.gz ORTLDCMCEPEXLR-HOTGVXAUSA-N 0 3 352.456 3.615 20 5 FHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178043213 932217409 /nfs/dbraw/zinc/21/74/09/932217409.db2.gz VQJBPLNAMOLDAQ-DLBZAZTESA-N 0 3 367.449 3.798 20 5 FHBDHN Cc1c(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178051105 932223299 /nfs/dbraw/zinc/22/32/99/932223299.db2.gz NXLIBKFVYBMKLP-KRWDZBQOSA-N 0 3 367.449 3.545 20 5 FHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000051120799 932338650 /nfs/dbraw/zinc/33/86/50/932338650.db2.gz SJJBBBDEVYNDEA-UHFFFAOYSA-N 0 3 355.438 3.706 20 5 FHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000084251021 934753658 /nfs/dbraw/zinc/75/36/58/934753658.db2.gz AMYZVYOHXMJGGY-UHFFFAOYSA-N 0 3 367.858 3.514 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000065536249 934961993 /nfs/dbraw/zinc/96/19/93/934961993.db2.gz FNZGHBLVANTQCM-FQEVSTJZSA-N 0 3 356.422 3.655 20 5 FHBDHN Cc1c([C@H](C)NCc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000178503844 934968006 /nfs/dbraw/zinc/96/80/06/934968006.db2.gz LVCPTBJDKGVKRY-INIZCTEOSA-N 0 3 350.422 3.999 20 5 FHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072034666 935225248 /nfs/dbraw/zinc/22/52/48/935225248.db2.gz VVONLIKTOJFBIY-UHFFFAOYSA-N 0 3 367.877 3.832 20 5 FHBDHN Cc1ccc([C@@H](C)NCc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC000151327906 945135543 /nfs/dbraw/zinc/13/55/43/945135543.db2.gz IBTPWUHKVXQFHV-MRXNPFEDSA-N 0 3 350.422 3.999 20 5 FHBDHN Cc1ccc([C@H](C)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000160455306 936069907 /nfs/dbraw/zinc/06/99/07/936069907.db2.gz DXKWPXLEKFUEHM-KRWDZBQOSA-N 0 3 369.465 3.586 20 5 FHBDHN Cc1ccnc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000582807985 936149665 /nfs/dbraw/zinc/14/96/65/936149665.db2.gz NEADVSXAIJKERF-QGZVFWFLSA-N 0 3 358.442 3.800 20 5 FHBDHN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCOCC2)cc1 ZINC000612580293 936277474 /nfs/dbraw/zinc/27/74/74/936277474.db2.gz NHGPLPANKQDGQN-UHFFFAOYSA-N 0 3 356.422 3.707 20 5 FHBDHN COc1cc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000509584203 945156770 /nfs/dbraw/zinc/15/67/70/945156770.db2.gz QFRQFYAWRLZDFI-UHFFFAOYSA-N 0 3 358.438 3.939 20 5 FHBDHN CN(CCCN(C)c1ccnc2c1cccc2[N+](=O)[O-])Cc1ccco1 ZINC000432138157 945178995 /nfs/dbraw/zinc/17/89/95/945178995.db2.gz KIQSKAHVSSQYCL-UHFFFAOYSA-N 0 3 354.410 3.694 20 5 FHBDHN COc1cc(CN[C@@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611935388 938993052 /nfs/dbraw/zinc/99/30/52/938993052.db2.gz WSNUEBSUFQDRGH-IBGZPJMESA-N 0 3 369.465 3.920 20 5 FHBDHN C[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000187593282 938994748 /nfs/dbraw/zinc/99/47/48/938994748.db2.gz MTKNFCRUBGWWKK-CQSZACIVSA-N 0 3 361.442 3.813 20 5 FHBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000437356097 945268887 /nfs/dbraw/zinc/26/88/87/945268887.db2.gz WPURXDNTPBRDEQ-CABCVRRESA-N 0 3 358.394 3.676 20 5 FHBDHN CSc1ccccc1NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411459056 940049578 /nfs/dbraw/zinc/04/95/78/940049578.db2.gz PBNFZDLUGMKPST-CYBMUJFWSA-N 0 3 359.451 3.996 20 5 FHBDHN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577368 940158549 /nfs/dbraw/zinc/15/85/49/940158549.db2.gz AWWARUUZMKMJBA-NRFANRHFSA-N 0 3 373.497 3.906 20 5 FHBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452032523 940870960 /nfs/dbraw/zinc/87/09/60/940870960.db2.gz NZADXFXXKLNTIR-UHFFFAOYSA-N 0 3 365.783 3.707 20 5 FHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471471 941019697 /nfs/dbraw/zinc/01/96/97/941019697.db2.gz XLBRUAXEBFACSV-FGZHOGPDSA-N 0 3 362.429 3.877 20 5 FHBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000511510333 941086018 /nfs/dbraw/zinc/08/60/18/941086018.db2.gz YDEDTDIDZXROQN-OAHLLOKOSA-N 0 3 360.410 3.864 20 5 FHBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000188814418 941095821 /nfs/dbraw/zinc/09/58/21/941095821.db2.gz XAWAHTXJBRUITO-CQSZACIVSA-N 0 3 362.451 3.561 20 5 FHBDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395713 941157058 /nfs/dbraw/zinc/15/70/58/941157058.db2.gz OQOIQSLBDLROAK-OLZOCXBDSA-N 0 3 361.467 3.841 20 5 FHBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595585 941213312 /nfs/dbraw/zinc/21/33/12/941213312.db2.gz DTZNRPCLCZHDIO-RISCZKNCSA-N 0 3 366.767 3.821 20 5 FHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCO[C@H](CF)C3)s2)cc1 ZINC000414479634 941330341 /nfs/dbraw/zinc/33/03/41/941330341.db2.gz SGJSNIHQMJBGKV-OAHLLOKOSA-N 0 3 350.415 3.884 20 5 FHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cn(C)nc1C(F)(F)F ZINC000468604974 941821011 /nfs/dbraw/zinc/82/10/11/941821011.db2.gz FISWDXNHRYDMRL-IZZDOVSWSA-N 0 3 354.332 3.540 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C1CCCCC1 ZINC000513407095 941901326 /nfs/dbraw/zinc/90/13/26/941901326.db2.gz BDWXEXCWBMMSJP-KRWDZBQOSA-N 0 3 361.442 3.587 20 5 FHBDHN COc1ccc(-c2ccc(CNC[C@H](O)C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000517551426 941953260 /nfs/dbraw/zinc/95/32/60/941953260.db2.gz GLTWMXGZNVYLGC-IBGZPJMESA-N 0 3 374.437 3.894 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000182785401 941966791 /nfs/dbraw/zinc/96/67/91/941966791.db2.gz QYKRCNSOVZTPNQ-HZPDHXFCSA-N 0 3 361.486 3.839 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000085619945 942027357 /nfs/dbraw/zinc/02/73/57/942027357.db2.gz CRAXRRYFWFZQSV-KRWDZBQOSA-N 0 3 370.453 3.506 20 5 FHBDHN Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501836963 942085292 /nfs/dbraw/zinc/08/52/92/942085292.db2.gz NOJQITXEEYTRMA-GOSISDBHSA-N 0 3 368.437 3.862 20 5 FHBDHN CSc1ccccc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501913775 942120836 /nfs/dbraw/zinc/12/08/36/942120836.db2.gz FJAAXJBLSQCCSX-UHFFFAOYSA-N 0 3 359.451 3.777 20 5 FHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000501031935 942262450 /nfs/dbraw/zinc/26/24/50/942262450.db2.gz ZYXVNVWLLDKNAQ-UHFFFAOYSA-N 0 3 365.792 3.848 20 5 FHBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686271522 942295336 /nfs/dbraw/zinc/29/53/36/942295336.db2.gz JHCLRUMRLKSEOY-NSHDSACASA-N 0 3 369.849 3.593 20 5 FHBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000413157583 942353237 /nfs/dbraw/zinc/35/32/37/942353237.db2.gz IAIATGJJXBPDMH-ABAIWWIYSA-N 0 3 350.419 3.685 20 5 FHBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000413157585 942353398 /nfs/dbraw/zinc/35/33/98/942353398.db2.gz IAIATGJJXBPDMH-IAQYHMDHSA-N 0 3 350.419 3.685 20 5 FHBDHN Cc1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000502361937 942380337 /nfs/dbraw/zinc/38/03/37/942380337.db2.gz WNNNRHROKSJNII-UHFFFAOYSA-N 0 3 369.465 3.540 20 5 FHBDHN COc1cccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1OC(F)F ZINC000549407723 942488546 /nfs/dbraw/zinc/48/85/46/942488546.db2.gz IOWDKVYIJPFAJS-UHFFFAOYSA-N 0 3 366.364 3.879 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700336 942597225 /nfs/dbraw/zinc/59/72/25/942597225.db2.gz DQTYLGZEMUIQMX-HXUWFJFHSA-N 0 3 353.422 3.973 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000378501879 942832268 /nfs/dbraw/zinc/83/22/68/942832268.db2.gz ZUWCKJFFSJEGLD-VQIMIIECSA-N 0 3 371.481 3.689 20 5 FHBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190206197 942857964 /nfs/dbraw/zinc/85/79/64/942857964.db2.gz UMGOVCAZAHMVCZ-CQSZACIVSA-N 0 3 373.375 3.834 20 5 FHBDHN COc1cc(CN(C)[C@H](C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505589323 943111956 /nfs/dbraw/zinc/11/19/56/943111956.db2.gz ZZZJQXASTNLABR-LLVKDONJSA-N 0 3 358.385 3.868 20 5 FHBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455484 943191896 /nfs/dbraw/zinc/19/18/96/943191896.db2.gz UFLQXNSWKWEPHI-WKPIXPDZSA-N 0 3 371.890 3.839 20 5 FHBDHN Cc1cccc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000162376797 943492295 /nfs/dbraw/zinc/49/22/95/943492295.db2.gz FYEGMDDGEBDUIC-OAQYLSRUSA-N 0 3 367.449 3.688 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(-n3cncn3)cc1)CCCC2 ZINC000417302146 943495961 /nfs/dbraw/zinc/49/59/61/943495961.db2.gz CCRYMYNVZOXJKS-HXUWFJFHSA-N 0 3 363.421 3.733 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)OCCO3)CCCC2 ZINC000417329536 943511698 /nfs/dbraw/zinc/51/16/98/943511698.db2.gz UPVNAJYIMBTBFK-SFHVURJKSA-N 0 3 354.406 3.923 20 5 FHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccnc1-n1cccn1)CCCC2 ZINC000417326136 943517988 /nfs/dbraw/zinc/51/79/88/943517988.db2.gz QZTXDXBPYODJQW-LJQANCHMSA-N 0 3 363.421 3.733 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504915375 943910793 /nfs/dbraw/zinc/91/07/93/943910793.db2.gz SRPPQRKKTIDXJM-KRWDZBQOSA-N 0 3 368.437 3.689 20 5 FHBDHN COc1cc([N+](=O)[O-])ccc1CN(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000517048566 943951539 /nfs/dbraw/zinc/95/15/39/943951539.db2.gz SKBISJHGFCHDGZ-HOTGVXAUSA-N 0 3 358.438 3.590 20 5 FHBDHN O=C(CCN1CCSC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500115841 944120957 /nfs/dbraw/zinc/12/09/57/944120957.db2.gz MNNHBRDUEMABEX-GOSISDBHSA-N 0 3 371.462 3.714 20 5 FHBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379410 944265686 /nfs/dbraw/zinc/26/56/86/944265686.db2.gz XUFMKORLGJIRLG-QUCCMNQESA-N 0 3 374.437 3.511 20 5 FHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505844002 944411630 /nfs/dbraw/zinc/41/16/30/944411630.db2.gz CRPOKQMRXVUZMK-IACUCBDGSA-N 0 3 368.433 3.512 20 5 FHBDHN Cc1cc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789233 944468941 /nfs/dbraw/zinc/46/89/41/944468941.db2.gz RTDBPIHMKOOCLY-MAUKXSAKSA-N 0 3 368.437 3.860 20 5 FHBDHN CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000509598572 944761589 /nfs/dbraw/zinc/76/15/89/944761589.db2.gz BSLDZLXWYNSJFC-OXJNMPFZSA-N 0 3 371.485 3.546 20 5 FHBDHN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947111 944787581 /nfs/dbraw/zinc/78/75/81/944787581.db2.gz SKDZJATXMVPWPX-KHDYIWLOSA-N 0 3 373.840 3.871 20 5 FHBDHN Cc1ccccc1-n1cc(CNCCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000518826318 944836441 /nfs/dbraw/zinc/83/64/41/944836441.db2.gz YIKIECYPACYCIX-UHFFFAOYSA-N 0 3 365.437 3.596 20 5 FHBDHN CCN(CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000052877937 946015959 /nfs/dbraw/zinc/01/59/59/946015959.db2.gz XQIRTVMWOAETML-CYBMUJFWSA-N 0 3 353.469 3.531 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520094803 946110517 /nfs/dbraw/zinc/11/05/17/946110517.db2.gz RDSQSOZAXMSCIK-INIZCTEOSA-N 0 3 371.412 3.893 20 5 FHBDHN CC(C)Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779216 946147184 /nfs/dbraw/zinc/14/71/84/946147184.db2.gz QKFJWHGIIGULOC-SFHVURJKSA-N 0 3 354.454 3.875 20 5 FHBDHN CC(C)Cc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779214 946157797 /nfs/dbraw/zinc/15/77/97/946157797.db2.gz QKFJWHGIIGULOC-GOSISDBHSA-N 0 3 354.454 3.875 20 5 FHBDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344597 946492891 /nfs/dbraw/zinc/49/28/91/946492891.db2.gz IWMLTNZXGFFXHP-HEFCMCLBSA-N 0 3 374.412 3.557 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCO)[C@H]2CCCSC2)o1 ZINC000475510254 946522653 /nfs/dbraw/zinc/52/26/53/946522653.db2.gz NDVCTOAEKWFCCL-AWEZNQCLSA-N 0 3 362.451 3.545 20 5 FHBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580873 946746024 /nfs/dbraw/zinc/74/60/24/946746024.db2.gz GSBAALDLMLQGBG-HNNXBMFYSA-N 0 3 372.421 3.648 20 5 FHBDHN COc1ccc(-c2ccc(CN3CCC[C@@](C)(OC)C3)o2)c([N+](=O)[O-])c1 ZINC000475269435 946785038 /nfs/dbraw/zinc/78/50/38/946785038.db2.gz LNNQPDZRQKUZDK-LJQANCHMSA-N 0 3 360.410 3.864 20 5 FHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000444678588 947103121 /nfs/dbraw/zinc/10/31/21/947103121.db2.gz ZLAZOJUVXMMVRJ-SYTFOFBDSA-N 0 3 352.394 3.514 20 5 FHBDHN COc1ccc(CNCCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000512054403 948316911 /nfs/dbraw/zinc/31/69/11/948316911.db2.gz UNKPWSKXYISFPI-UHFFFAOYSA-N 0 3 365.227 3.698 20 5 FHBDHN CN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053617782 221047057 /nfs/dbraw/zinc/04/70/57/221047057.db2.gz ZMSKQYMTSQPGJS-LJQANCHMSA-N 0 3 355.438 3.935 20 5 FHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(Cl)cc1 ZINC000481406687 567904385 /nfs/dbraw/zinc/90/43/85/567904385.db2.gz PLJGDRPEMVINMY-CYBMUJFWSA-N 0 3 361.829 3.798 20 5 FHBDHN C[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)c1ccncc1 ZINC000602562235 567991800 /nfs/dbraw/zinc/99/18/00/567991800.db2.gz ITJYJAJOQDGXAK-SECBINFHSA-N 0 3 356.245 3.707 20 5 FHBDHN O=c1c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cccn1C(F)F ZINC000602686473 568011381 /nfs/dbraw/zinc/01/13/81/568011381.db2.gz VMOSNNUVPQFMPE-AWEZNQCLSA-N 0 3 363.364 3.531 20 5 FHBDHN CC[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000128565075 568016855 /nfs/dbraw/zinc/01/68/55/568016855.db2.gz WIRRAEWIKUVZES-HXUWFJFHSA-N 0 3 367.449 3.958 20 5 FHBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873141 568049500 /nfs/dbraw/zinc/04/95/00/568049500.db2.gz HVEWWEXITLBLRI-FOIQADDNSA-N 0 3 355.438 3.579 20 5 FHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200078 568075818 /nfs/dbraw/zinc/07/58/18/568075818.db2.gz MYDPPFUDEYNGEV-CABCVRRESA-N 0 3 368.437 3.926 20 5 FHBDHN COc1cccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000481708276 568090422 /nfs/dbraw/zinc/09/04/22/568090422.db2.gz ADNZOUKNCUVDHJ-GOSISDBHSA-N 0 3 356.426 3.556 20 5 FHBDHN CN(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871824 568174313 /nfs/dbraw/zinc/17/43/13/568174313.db2.gz WDFNRCAVASPVGK-SFHVURJKSA-N 0 3 354.385 3.997 20 5 FHBDHN Cc1c([C@H](C)NCCc2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000482030485 568232872 /nfs/dbraw/zinc/23/28/72/568232872.db2.gz GBSDKKDBMVHOIK-INIZCTEOSA-N 0 3 350.422 3.982 20 5 FHBDHN O=[N+]([O-])c1ccc2nc(NCC3(N4CCSCC4)CCCC3)ccc2c1 ZINC000302941393 568242669 /nfs/dbraw/zinc/24/26/69/568242669.db2.gz LHJLJQOHBZNVAI-UHFFFAOYSA-N 0 3 372.494 3.917 20 5 FHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000482083339 568257659 /nfs/dbraw/zinc/25/76/59/568257659.db2.gz MGRRFECDCSHXPH-KRWDZBQOSA-N 0 3 374.416 3.775 20 5 FHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484471 568300967 /nfs/dbraw/zinc/30/09/67/568300967.db2.gz RFWMLRFVLYXINA-LJQANCHMSA-N 0 3 369.421 3.775 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000569219206 568313445 /nfs/dbraw/zinc/31/34/45/568313445.db2.gz ZEPDPWKNXBVGNP-MZMPOYLWSA-N 0 3 368.433 3.618 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000569273464 568324825 /nfs/dbraw/zinc/32/48/25/568324825.db2.gz MVQQALXCBHHSAT-UHFFFAOYSA-N 0 3 365.499 3.655 20 5 FHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000570816825 568536311 /nfs/dbraw/zinc/53/63/11/568536311.db2.gz WPBPHXRUDSLSJH-SCTDSRPQSA-N 0 3 360.360 3.980 20 5 FHBDHN COC[C@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889116 568620572 /nfs/dbraw/zinc/62/05/72/568620572.db2.gz JROOOTLGDWQAAN-IERDGZPVSA-N 0 3 370.449 3.668 20 5 FHBDHN CCOc1c(OC)cc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000582991806 936350723 /nfs/dbraw/zinc/35/07/23/936350723.db2.gz GVDXSJSRLYDNHY-UHFFFAOYSA-N 0 3 374.437 3.685 20 5 FHBDHN CCCN(CCN(C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609187691 929061135 /nfs/dbraw/zinc/06/11/35/929061135.db2.gz HIVYXJWITCRZHF-UHFFFAOYSA-N 0 3 370.453 3.752 20 5 FHBDHN C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422084 930498774 /nfs/dbraw/zinc/49/87/74/930498774.db2.gz XEULFMMEMJFTLS-DNVCBOLYSA-N 0 3 350.422 3.963 20 5 FHBDHN Cc1c([C@H](C)NCCNC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000165512740 930538755 /nfs/dbraw/zinc/53/87/55/930538755.db2.gz HBLJFRZTMTVIMG-ZDUSSCGKSA-N 0 3 361.829 3.637 20 5 FHBDHN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157056087 931810360 /nfs/dbraw/zinc/81/03/60/931810360.db2.gz NOBOIPAQEVFPDG-ZIAGYGMSSA-N 0 3 355.394 3.963 20 5 FHBDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661789 932836034 /nfs/dbraw/zinc/83/60/34/932836034.db2.gz HOIXBUXLJMBWCL-ZBFHGGJFSA-N 0 3 363.458 3.515 20 5 FHBDHN COC(=O)COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000544006684 933187235 /nfs/dbraw/zinc/18/72/35/933187235.db2.gz PDWPREKWGNQILM-UHFFFAOYSA-N 0 3 372.421 3.557 20 5 FHBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCCO1 ZINC000610717462 933930187 /nfs/dbraw/zinc/93/01/87/933930187.db2.gz WUZLOJGFDLATST-HNNXBMFYSA-N 0 3 358.385 3.881 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccsc1 ZINC000510891150 933963934 /nfs/dbraw/zinc/96/39/34/933963934.db2.gz BOOSKPCGGPAUSN-KRWDZBQOSA-N 0 3 361.467 3.778 20 5 FHBDHN Cc1cccc(CN(CCN(C)C)C(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000728449715 934998686 /nfs/dbraw/zinc/99/86/86/934998686.db2.gz MWIGHWSTEUWHMG-UHFFFAOYSA-N 0 3 372.494 3.664 20 5 FHBDHN CC[C@@H](c1ccccc1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167509547 935027530 /nfs/dbraw/zinc/02/75/30/935027530.db2.gz PAUVFLYHHSXOHY-NRFANRHFSA-N 0 3 369.465 3.743 20 5 FHBDHN CC(=O)c1cc(N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000383089975 945074013 /nfs/dbraw/zinc/07/40/13/945074013.db2.gz QTNQCEBWRVTNRN-MRXNPFEDSA-N 0 3 367.449 3.898 20 5 FHBDHN C[C@H](c1ccncc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000091989727 935204129 /nfs/dbraw/zinc/20/41/29/935204129.db2.gz RZIQDPJSSATBFN-CQSZACIVSA-N 0 3 352.394 3.880 20 5 FHBDHN CC(C)c1ccccc1OC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511073658 935250437 /nfs/dbraw/zinc/25/04/37/935250437.db2.gz PZDQPECXKXNTFV-GOSISDBHSA-N 0 3 372.465 3.632 20 5 FHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201302 935396163 /nfs/dbraw/zinc/39/61/63/935396163.db2.gz NNQUBAWLGJRXMD-NHYWBVRUSA-N 0 3 365.817 3.700 20 5 FHBDHN CC(C)N1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277811885 935970277 /nfs/dbraw/zinc/97/02/77/935970277.db2.gz PPMSVJWCKHMFAH-UHFFFAOYSA-N 0 3 363.461 3.696 20 5 FHBDHN C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649356 936031706 /nfs/dbraw/zinc/03/17/06/936031706.db2.gz DDOKKKKEQVVBHZ-MRXNPFEDSA-N 0 3 363.417 3.656 20 5 FHBDHN Cc1ccc(C[C@H](CO)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000466912735 938275147 /nfs/dbraw/zinc/27/51/47/938275147.db2.gz MZGYIXUQPCIMLZ-QGZVFWFLSA-N 0 3 366.417 3.856 20 5 FHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN(C)C ZINC000583726940 938378981 /nfs/dbraw/zinc/37/89/81/938378981.db2.gz QBPPMGNXUZVQEP-MRXNPFEDSA-N 0 3 355.438 3.864 20 5 FHBDHN Cc1ccnc(OC2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000611802966 938579429 /nfs/dbraw/zinc/57/94/29/938579429.db2.gz BCULKPLAVKKMMZ-UHFFFAOYSA-N 0 3 371.437 3.611 20 5 FHBDHN O=C(CCN[C@@H]1CCCOc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548825412 938713740 /nfs/dbraw/zinc/71/37/40/938713740.db2.gz ALRCEKHSUSAJEZ-OAHLLOKOSA-N 0 3 373.384 3.566 20 5 FHBDHN CC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849357 938898528 /nfs/dbraw/zinc/89/85/28/938898528.db2.gz UDJMDFMYFUWPNB-AUUYWEPGSA-N 0 3 351.410 3.977 20 5 FHBDHN COc1ccc(-c2ccc(CN(C)CCc3nccs3)o2)c([N+](=O)[O-])c1 ZINC000093843937 938930734 /nfs/dbraw/zinc/93/07/34/938930734.db2.gz FBGONIXMWVVWMW-UHFFFAOYSA-N 0 3 373.434 3.994 20 5 FHBDHN NC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102419689 939017806 /nfs/dbraw/zinc/01/78/06/939017806.db2.gz PBZOHNWYLHPQSH-UHFFFAOYSA-N 0 3 367.430 3.712 20 5 FHBDHN Cc1cccc([C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000612172530 939188464 /nfs/dbraw/zinc/18/84/64/939188464.db2.gz ZDGBJWCLTJSYGM-INIZCTEOSA-N 0 3 354.406 3.759 20 5 FHBDHN CC(=O)c1cc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000383102675 945245839 /nfs/dbraw/zinc/24/58/39/945245839.db2.gz CARDLVGZNILVID-MRXNPFEDSA-N 0 3 367.449 3.898 20 5 FHBDHN Cc1cccc(C2(NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCCC2)c1 ZINC000506450977 945265034 /nfs/dbraw/zinc/26/50/34/945265034.db2.gz AOPOHSLPKILPHX-UHFFFAOYSA-N 0 3 367.449 3.925 20 5 FHBDHN COc1ccc(NC(=O)CCN([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000411394514 940037392 /nfs/dbraw/zinc/03/73/92/940037392.db2.gz UGWIKPCTGUPOIT-ZDUSSCGKSA-N 0 3 373.409 3.751 20 5 FHBDHN CCc1ccc([C@@H](N[C@@H]2CCN(CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410060 940054151 /nfs/dbraw/zinc/05/41/51/940054151.db2.gz YCVUASLUDRINSX-UTKZUKDTSA-N 0 3 369.465 3.914 20 5 FHBDHN CCc1ccc([C@H](N[C@H]2CCN(CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410058 940054180 /nfs/dbraw/zinc/05/41/80/940054180.db2.gz YCVUASLUDRINSX-LAUBAEHRSA-N 0 3 369.465 3.914 20 5 FHBDHN Cc1c(F)cccc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411760199 940113252 /nfs/dbraw/zinc/11/32/52/940113252.db2.gz RKBIFSSVGDMRCS-UHFFFAOYSA-N 0 3 359.401 3.896 20 5 FHBDHN CCC(CC)[C@@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236687206 940152874 /nfs/dbraw/zinc/15/28/74/940152874.db2.gz HOCGIXKOBVZCMW-SFHVURJKSA-N 0 3 362.426 3.750 20 5 FHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201300 940653315 /nfs/dbraw/zinc/65/33/15/940653315.db2.gz NNQUBAWLGJRXMD-ABAIWWIYSA-N 0 3 365.817 3.700 20 5 FHBDHN COC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000188688061 940967413 /nfs/dbraw/zinc/96/74/13/940967413.db2.gz YDSZRTKICMTUGY-UHFFFAOYSA-N 0 3 364.785 3.551 20 5 FHBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186302200 940971945 /nfs/dbraw/zinc/97/19/45/940971945.db2.gz XDBIGIYKYNIBPQ-LJQANCHMSA-N 0 3 367.449 3.640 20 5 FHBDHN CCN1CCN(c2cccc(NC/C=C\c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000472617216 941122233 /nfs/dbraw/zinc/12/22/33/941122233.db2.gz HSPYICNKBHZLSL-VURMDHGXSA-N 0 3 366.465 3.862 20 5 FHBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395662 941157148 /nfs/dbraw/zinc/15/71/48/941157148.db2.gz OQOIQSLBDLROAK-STQMWFEESA-N 0 3 361.467 3.841 20 5 FHBDHN Cc1ccc([C@@H](C)NCCOCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000189861761 941290023 /nfs/dbraw/zinc/29/00/23/941290023.db2.gz CTRRRBYKTDABMA-SNVBAGLBSA-N 0 3 356.291 3.768 20 5 FHBDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000414522282 941371888 /nfs/dbraw/zinc/37/18/88/941371888.db2.gz GMZNAFHSJUKHIO-YPMHNXCESA-N 0 3 350.802 3.711 20 5 FHBDHN CC(C)c1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414552499 941378043 /nfs/dbraw/zinc/37/80/43/941378043.db2.gz QICGTHPDWDGWRR-QGZVFWFLSA-N 0 3 359.470 3.695 20 5 FHBDHN CCOC(=O)c1cc(NC[C@@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000433689689 941842234 /nfs/dbraw/zinc/84/22/34/941842234.db2.gz KBPSAHWODCBQGL-KRWDZBQOSA-N 0 3 373.409 3.614 20 5 FHBDHN CCc1ccc([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000513400103 941895757 /nfs/dbraw/zinc/89/57/57/941895757.db2.gz AWCUHOFTASWZEH-SFHVURJKSA-N 0 3 367.449 3.636 20 5 FHBDHN C[C@H](Cn1ccnc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538155 941947632 /nfs/dbraw/zinc/94/76/32/941947632.db2.gz NXMSDCFEAFQCJX-CQSZACIVSA-N 0 3 370.384 3.901 20 5 FHBDHN C[C@@H](Cn1ccnc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538154 941947790 /nfs/dbraw/zinc/94/77/90/941947790.db2.gz NXMSDCFEAFQCJX-AWEZNQCLSA-N 0 3 370.384 3.901 20 5 FHBDHN Cc1cccc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000513483484 941950341 /nfs/dbraw/zinc/95/03/41/941950341.db2.gz DJTFBWJPUANMLX-IBGZPJMESA-N 0 3 358.438 3.554 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000085619943 942024450 /nfs/dbraw/zinc/02/44/50/942024450.db2.gz CRAXRRYFWFZQSV-QGZVFWFLSA-N 0 3 370.453 3.506 20 5 FHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1C ZINC001269735153 942444856 /nfs/dbraw/zinc/44/48/56/942444856.db2.gz VEQPAWBJGYQXCX-BEFAXECRSA-N 0 3 355.438 3.633 20 5 FHBDHN COc1ccccc1CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661970 942566679 /nfs/dbraw/zinc/56/66/79/942566679.db2.gz NWQLQSMZICIBSQ-UHFFFAOYSA-N 0 3 367.405 3.933 20 5 FHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700343 942598409 /nfs/dbraw/zinc/59/84/09/942598409.db2.gz HFPZHKJAKFWDMF-HXUWFJFHSA-N 0 3 353.422 3.973 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000421491116 942605732 /nfs/dbraw/zinc/60/57/32/942605732.db2.gz NKFYXTXHWDWJBP-SFHVURJKSA-N 0 3 367.449 3.558 20 5 FHBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F)Cc1ccco1 ZINC000413293549 942613968 /nfs/dbraw/zinc/61/39/68/942613968.db2.gz NKAALTCDIBAAKD-UHFFFAOYSA-N 0 3 372.347 3.560 20 5 FHBDHN CN(C(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104704231 942618451 /nfs/dbraw/zinc/61/84/51/942618451.db2.gz HAXNYPUDLGFUPS-HXUWFJFHSA-N 0 3 371.412 3.828 20 5 FHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000421526898 942637722 /nfs/dbraw/zinc/63/77/22/942637722.db2.gz XPFLPZBVZDGTBJ-DNVCBOLYSA-N 0 3 355.438 3.633 20 5 FHBDHN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000016599501 942883634 /nfs/dbraw/zinc/88/36/34/942883634.db2.gz UBVDMBHWXJNSAJ-MRXNPFEDSA-N 0 3 369.446 3.842 20 5 FHBDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514510962 943073483 /nfs/dbraw/zinc/07/34/83/943073483.db2.gz FYCBLAILXOBIAM-IBGZPJMESA-N 0 3 370.453 3.890 20 5 FHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](n3ccnn3)C2)s1 ZINC000425355113 943361348 /nfs/dbraw/zinc/36/13/48/943361348.db2.gz UGYFXBCZEVQPTQ-AWEZNQCLSA-N 0 3 369.450 3.752 20 5 FHBDHN CC[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC001167958811 943362163 /nfs/dbraw/zinc/36/21/63/943362163.db2.gz HNGQWTOEWKDQKJ-GOEBONIOSA-N 0 3 368.437 3.551 20 5 FHBDHN NC(=O)Nc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320415 943513080 /nfs/dbraw/zinc/51/30/80/943513080.db2.gz JQMGXNVUDQKRAL-GOSISDBHSA-N 0 3 354.410 3.643 20 5 FHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccnc1N(C)C ZINC000504911912 943908134 /nfs/dbraw/zinc/90/81/34/943908134.db2.gz NMIBJESTTDSCON-OAHLLOKOSA-N 0 3 360.483 3.716 20 5 FHBDHN Cc1c(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913348 943909368 /nfs/dbraw/zinc/90/93/68/943909368.db2.gz DRKQOXMEZUOVAP-KRWDZBQOSA-N 0 3 368.437 3.689 20 5 FHBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000425493507 944112341 /nfs/dbraw/zinc/11/23/41/944112341.db2.gz OYGUHUDHCGULEB-BPLDGKMQSA-N 0 3 369.259 3.651 20 5 FHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000110355451 944455829 /nfs/dbraw/zinc/45/58/29/944455829.db2.gz DSVZQHUKULCLRS-CQSZACIVSA-N 0 3 373.478 3.567 20 5 FHBDHN Cc1cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473787768 944485066 /nfs/dbraw/zinc/48/50/66/944485066.db2.gz POFWPCWZSJMEJY-GOSISDBHSA-N 0 3 368.437 3.641 20 5 FHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000843757850 944544024 /nfs/dbraw/zinc/54/40/24/944544024.db2.gz FVLFXQCLIBOXKW-SFHVURJKSA-N 0 3 371.412 3.609 20 5 FHBDHN CC1(C)CCc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2O1 ZINC000426001534 944583557 /nfs/dbraw/zinc/58/35/57/944583557.db2.gz LJAILEOJNFUZNR-UHFFFAOYSA-N 0 3 370.453 3.732 20 5 FHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053749272 944853091 /nfs/dbraw/zinc/85/30/91/944853091.db2.gz OGFFDDHMQVIXOR-PBHICJAKSA-N 0 3 354.410 3.552 20 5 FHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CCc2cccs2)CC1 ZINC000507064968 944926105 /nfs/dbraw/zinc/92/61/05/944926105.db2.gz PICCZPBWRACDIB-ZZXKWVIFSA-N 0 3 357.479 3.530 20 5 FHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000437098883 945018625 /nfs/dbraw/zinc/01/86/25/945018625.db2.gz STNGDOUFGSBJTL-SJKOYZFVSA-N 0 3 373.384 3.564 20 5 FHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000507219474 945038934 /nfs/dbraw/zinc/03/89/34/945038934.db2.gz PCSRBGBJMZRGBA-UHFFFAOYSA-N 0 3 359.401 3.689 20 5 FHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516593747 945055615 /nfs/dbraw/zinc/05/56/15/945055615.db2.gz OGFFDDHMQVIXOR-WMLDXEAASA-N 0 3 354.410 3.552 20 5 FHBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000111178718 946377544 /nfs/dbraw/zinc/37/75/44/946377544.db2.gz UWYLGIWDFNYMPY-IBGZPJMESA-N 0 3 370.453 3.946 20 5 FHBDHN Cc1cccc(CC2(O)CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000475515234 946561344 /nfs/dbraw/zinc/56/13/44/946561344.db2.gz AUDGDQWGBGQBKV-UHFFFAOYSA-N 0 3 354.450 3.781 20 5 FHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000025938032 946905372 /nfs/dbraw/zinc/90/53/72/946905372.db2.gz CKFGGDKKEMXXHD-QGZVFWFLSA-N 0 3 364.405 3.852 20 5 FHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000112629327 946911376 /nfs/dbraw/zinc/91/13/76/946911376.db2.gz XZBSHSWVDJYMLC-CQSZACIVSA-N 0 3 366.343 3.695 20 5 FHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000428370902 947044315 /nfs/dbraw/zinc/04/43/15/947044315.db2.gz CEYZROSQPLWZML-GOSISDBHSA-N 0 3 374.824 3.997 20 5 FHBDHN Cc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000074445748 947068054 /nfs/dbraw/zinc/06/80/54/947068054.db2.gz HUJHRCNQSSTSPJ-IBGZPJMESA-N 0 3 367.449 3.640 20 5 FHBDHN COc1ccc([C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000121554700 947747583 /nfs/dbraw/zinc/74/75/83/947747583.db2.gz COBMSQZFWHEGFK-FQEVSTJZSA-N 0 3 371.437 3.553 20 5 FHBDHN COc1ccc(OCCN(C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000441545527 948242134 /nfs/dbraw/zinc/24/21/34/948242134.db2.gz LHHGNDGWIHEQQB-UHFFFAOYSA-N 0 3 374.437 3.740 20 5 FHBDHN COc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278971592 948347210 /nfs/dbraw/zinc/34/72/10/948347210.db2.gz XXYQYIRFCNJFFY-UHFFFAOYSA-N 0 3 370.453 3.516 20 5 FHBDHN CC[C@H]1[C@H](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414154 567915708 /nfs/dbraw/zinc/91/57/08/567915708.db2.gz OEVMLQBTLVJKSX-YPMHNXCESA-N 0 3 358.385 3.868 20 5 FHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)N(C)C ZINC000602619503 567998391 /nfs/dbraw/zinc/99/83/91/567998391.db2.gz OGTIPRKKZQLXAX-DJJJIMSYSA-N 0 3 354.410 3.517 20 5 FHBDHN C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000128581843 568027873 /nfs/dbraw/zinc/02/78/73/568027873.db2.gz PQDWPYZXKAGWPQ-HNNXBMFYSA-N 0 3 353.422 3.568 20 5 FHBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873122 568049542 /nfs/dbraw/zinc/04/95/42/568049542.db2.gz HVEWWEXITLBLRI-MGPUTAFESA-N 0 3 355.438 3.579 20 5 FHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000043745260 568217702 /nfs/dbraw/zinc/21/77/02/568217702.db2.gz FUBPEKHVSKNBSX-INIZCTEOSA-N 0 3 361.467 3.778 20 5 FHBDHN CCCN(CCN1CCCCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000482049263 568238805 /nfs/dbraw/zinc/23/88/05/568238805.db2.gz NJOJCQWZXRAOEB-MRXNPFEDSA-N 0 3 362.474 3.563 20 5 FHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000604473328 568298797 /nfs/dbraw/zinc/29/87/97/568298797.db2.gz QBZIKHOPBQIPSR-OAHLLOKOSA-N 0 3 367.405 3.994 20 5 FHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000569219207 568313506 /nfs/dbraw/zinc/31/35/06/568313506.db2.gz ZEPDPWKNXBVGNP-VWUUPROJSA-N 0 3 368.433 3.618 20 5 FHBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000570178770 568459542 /nfs/dbraw/zinc/45/95/42/568459542.db2.gz DKNLVWXMRIVLJS-CQSZACIVSA-N 0 3 370.384 3.649 20 5 FHBDHN