smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000012255727 695605440 /nfs/dbraw/zinc/60/54/40/695605440.db2.gz JICDZMXCBAQPEK-UHFFFAOYSA-N 0 1 369.834 3.395 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)cs1 ZINC000120008664 700645704 /nfs/dbraw/zinc/64/57/04/700645704.db2.gz SJZXEXFHUZGPNX-UHFFFAOYSA-N 0 1 371.415 3.196 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cs1 ZINC000120296035 700652328 /nfs/dbraw/zinc/65/23/28/700652328.db2.gz ZSSRAAFXSXNZGR-UHFFFAOYSA-N 0 1 351.365 3.112 20 5 FGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2ncccc21 ZINC000134062679 704811426 /nfs/dbraw/zinc/81/14/26/704811426.db2.gz QDJGXYRXWHZPEF-UHFFFAOYSA-N 0 1 366.786 3.234 20 5 FGBDMN CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000159968306 705239117 /nfs/dbraw/zinc/23/91/17/705239117.db2.gz LVHWOPMTHRNSHT-SECBINFHSA-N 0 1 361.832 3.134 20 5 FGBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000174529100 705507715 /nfs/dbraw/zinc/50/77/15/705507715.db2.gz FTTMIPXTMCPMLA-KRWDZBQOSA-N 0 1 359.407 3.309 20 5 FGBDMN CN(CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061757 705603558 /nfs/dbraw/zinc/60/35/58/705603558.db2.gz WABACPITBXLVHM-UHFFFAOYSA-N 0 1 365.792 3.249 20 5 FGBDMN O=Cc1[nH]nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000782351552 724656859 /nfs/dbraw/zinc/65/68/59/724656859.db2.gz IUJLUUJFWWDWNH-UHFFFAOYSA-N 0 1 359.725 3.294 20 5 FGBDMN C[C@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000741030388 722541760 /nfs/dbraw/zinc/54/17/60/722541760.db2.gz GQEGYWVCZVSBAX-OAHLLOKOSA-N 0 1 350.415 3.171 20 5 FGBDMN CSCC[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742299920 722554779 /nfs/dbraw/zinc/55/47/79/722554779.db2.gz WDTDOWUZDFVNOY-ZETCQYMHSA-N 0 1 373.283 3.322 20 5 FGBDMN CC(C)(C)CCN1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749919021 722747772 /nfs/dbraw/zinc/74/77/72/722747772.db2.gz CTBQOPWNWWNBHC-UHFFFAOYSA-N 0 1 353.850 3.442 20 5 FGBDMN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CCC(F)(F)F ZINC000757614428 722977521 /nfs/dbraw/zinc/97/75/21/722977521.db2.gz PXFAMDLHZXMSNT-UHFFFAOYSA-N 0 1 367.755 3.252 20 5 FGBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(Cl)ccc2O)cc1SC ZINC000789931226 723085888 /nfs/dbraw/zinc/08/58/88/723085888.db2.gz BRPHTBFTHNKPPB-UHFFFAOYSA-N 0 1 369.786 3.332 20 5 FGBDMN O=C(NC1CC1)c1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761520218 723161960 /nfs/dbraw/zinc/16/19/60/723161960.db2.gz MQPKFLMIUCNCSL-UHFFFAOYSA-N 0 1 359.813 3.430 20 5 FGBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000794808461 723547152 /nfs/dbraw/zinc/54/71/52/723547152.db2.gz NLAISJRZZQGDMI-BONVTDFDSA-N 0 1 366.215 3.137 20 5 FGBDMN O=Cc1[nH]nc2cc(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000766184603 723560124 /nfs/dbraw/zinc/56/01/24/723560124.db2.gz OFJILFMSRAZPQK-UHFFFAOYSA-N 0 1 359.725 3.294 20 5 FGBDMN CN(CCOC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769115303 723677257 /nfs/dbraw/zinc/67/72/57/723677257.db2.gz OQUHDXQUULCMBO-UHFFFAOYSA-N 0 1 350.321 3.162 20 5 FGBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCC2(C1)CCOCC2 ZINC000769538175 723689391 /nfs/dbraw/zinc/68/93/91/723689391.db2.gz ATGLEVCETYXRST-UHFFFAOYSA-N 0 1 355.232 3.360 20 5 FGBDMN O=C(OCCN1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770403986 723713093 /nfs/dbraw/zinc/71/30/93/723713093.db2.gz IZYQQUBIGDPYCS-UHFFFAOYSA-N 0 1 357.204 3.000 20 5 FGBDMN Cc1c(CN2CCC(Oc3cncc(Cl)n3)CC2)cccc1[N+](=O)[O-] ZINC000778184169 724307830 /nfs/dbraw/zinc/30/78/30/724307830.db2.gz CXEDOAYFCDWCTE-UHFFFAOYSA-N 0 1 362.817 3.390 20 5 FGBDMN Cc1ccc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1Br ZINC000787897518 725040317 /nfs/dbraw/zinc/04/03/17/725040317.db2.gz MPFXMBOEIVZWBK-UHFFFAOYSA-N 0 1 354.248 3.198 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)onc2OC(F)F)c1 ZINC000788109360 725044604 /nfs/dbraw/zinc/04/46/04/725044604.db2.gz ANCGKVIYSPOPGY-UHFFFAOYSA-N 0 1 359.310 3.467 20 5 FGBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)c(O)cc1F ZINC000805258969 725059976 /nfs/dbraw/zinc/05/99/76/725059976.db2.gz DKLRZWMGBXEFDO-UHFFFAOYSA-N 0 1 364.720 3.081 20 5 FGBDMN CN(CCn1cc(Br)cn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808803092 725218512 /nfs/dbraw/zinc/21/85/12/725218512.db2.gz YMGFUOPQQZYSCT-UHFFFAOYSA-N 0 1 373.638 3.339 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813243620 726853886 /nfs/dbraw/zinc/85/38/86/726853886.db2.gz ZLBAUYREKLFTTO-KRWDZBQOSA-N 0 1 353.394 3.145 20 5 FGBDMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000817352688 727242274 /nfs/dbraw/zinc/24/22/74/727242274.db2.gz MASKIBYVUBGWHF-NSHDSACASA-N 0 1 364.851 3.359 20 5 FGBDMN C[C@@H]1CN(CCCNc2cccc(Br)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820617264 729011306 /nfs/dbraw/zinc/01/13/06/729011306.db2.gz QPGAVBWGKGIHEA-VXGBXAGGSA-N 0 1 372.263 3.269 20 5 FGBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821116174 729059916 /nfs/dbraw/zinc/05/99/16/729059916.db2.gz KWAIFEVOYTXNCS-UHFFFAOYSA-N 0 1 353.743 3.190 20 5 FGBDMN O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000828894010 729449357 /nfs/dbraw/zinc/44/93/57/729449357.db2.gz QGLVHNNJBIGEOP-DOMZBBRYSA-N 0 1 367.833 3.078 20 5 FGBDMN O=C(CN1CCC[C@H]1[C@@H]1CCCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000828894010 729449358 /nfs/dbraw/zinc/44/93/58/729449358.db2.gz QGLVHNNJBIGEOP-DOMZBBRYSA-N 0 1 367.833 3.078 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041277 729684522 /nfs/dbraw/zinc/68/45/22/729684522.db2.gz SLTGJNBAINGJNG-CJNGLKHVSA-N 0 1 350.390 3.242 20 5 FGBDMN Cc1cc(Cl)c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000832949280 729736901 /nfs/dbraw/zinc/73/69/01/729736901.db2.gz GABZGCQZGCBVTQ-LLVKDONJSA-N 0 1 351.834 3.113 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@H](N2CCOCC2)CC1 ZINC000848795061 731208213 /nfs/dbraw/zinc/20/82/13/731208213.db2.gz FJQAJENMYNFXKT-LBPRGKRZSA-N 0 1 357.813 3.078 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1c(F)cccc1F ZINC000850443038 731357820 /nfs/dbraw/zinc/35/78/20/731357820.db2.gz JHQXXQYEVZCRSK-MEBBXXQBSA-N 0 1 352.337 3.266 20 5 FGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000863195096 732921318 /nfs/dbraw/zinc/92/13/18/732921318.db2.gz OETUDVJYZUFPRL-KGYLQXTDSA-N 0 1 373.634 3.431 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)cs2)c1 ZINC000865691682 733253238 /nfs/dbraw/zinc/25/32/38/733253238.db2.gz DEYSQDABTDDFOY-NCZBFZFDSA-N 0 1 357.435 3.231 20 5 FGBDMN CC(C)(C)[S@@](=O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877054035 736181203 /nfs/dbraw/zinc/18/12/03/736181203.db2.gz AWRHVAYXBUUHHV-QHCPKHFHSA-N 0 1 352.378 3.250 20 5 FGBDMN C[C@H]1CSC[C@H]1NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878606647 736898250 /nfs/dbraw/zinc/89/82/50/736898250.db2.gz NLSSSUVKJICDFO-GZMMTYOYSA-N 0 1 354.819 3.139 20 5 FGBDMN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847255 742462680 /nfs/dbraw/zinc/46/26/80/742462680.db2.gz UABXOJVKHDDYSD-NHYWBVRUSA-N 0 1 355.232 3.358 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CNCC[C@@H]3CC[C@@H](C(F)(F)F)O3)nc2c1 ZINC000896809849 742602092 /nfs/dbraw/zinc/60/20/92/742602092.db2.gz OPPDAKZZLATUJP-GWCFXTLKSA-N 0 1 359.304 3.326 20 5 FGBDMN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CS(C)(=O)=O ZINC000896869812 742610016 /nfs/dbraw/zinc/61/00/16/742610016.db2.gz CUGATOOYFHRPQF-UHFFFAOYSA-N 0 1 369.270 3.062 20 5 FGBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901825365 743648039 /nfs/dbraw/zinc/64/80/39/743648039.db2.gz CWDKBXSQXQHTKK-GOSISDBHSA-N 0 1 360.797 3.477 20 5 FGBDMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]21 ZINC000902555029 743757330 /nfs/dbraw/zinc/75/73/30/743757330.db2.gz ZEVOQCYXDQICAJ-HLLBOEOZSA-N 0 1 358.419 3.476 20 5 FGBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc(Br)cn1 ZINC000903320614 743837202 /nfs/dbraw/zinc/83/72/02/743837202.db2.gz MGMIMLGGLSXXTD-NSHDSACASA-N 0 1 365.231 3.258 20 5 FGBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000923471042 759126920 /nfs/dbraw/zinc/12/69/20/759126920.db2.gz UGJNOUXLFFMJMN-OAHLLOKOSA-N 0 1 371.231 3.434 20 5 FGBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933713404 761461959 /nfs/dbraw/zinc/46/19/59/761461959.db2.gz YKUWHELMFMUJTF-LBPRGKRZSA-N 0 1 352.316 3.393 20 5 FGBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000109484483 206058700 /nfs/dbraw/zinc/05/87/00/206058700.db2.gz DUOMKIBWIKCGFP-UHFFFAOYSA-N 0 1 371.462 3.325 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cn[nH]c3C)CC2)c1 ZINC000375919942 257425481 /nfs/dbraw/zinc/42/54/81/257425481.db2.gz BGGJSYDZJFMPMT-UHFFFAOYSA-N 0 1 358.398 3.045 20 5 FGBDMN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000302145972 257385111 /nfs/dbraw/zinc/38/51/11/257385111.db2.gz HVEKBOKJEIMSJM-INIZCTEOSA-N 0 1 357.414 3.033 20 5 FGBDMN Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573805446 505624873 /nfs/dbraw/zinc/62/48/73/505624873.db2.gz BUCNFBIJKOCGCO-ZNMIVQPWSA-N 0 1 361.442 3.443 20 5 FGBDMN O=C(c1nc[nH]c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000580007708 505660448 /nfs/dbraw/zinc/66/04/48/505660448.db2.gz AOQAUSPYIYMJMU-UHFFFAOYSA-N 0 1 361.317 3.266 20 5 FGBDMN O=C(c1[nH]cnc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000580007708 505660450 /nfs/dbraw/zinc/66/04/50/505660450.db2.gz AOQAUSPYIYMJMU-UHFFFAOYSA-N 0 1 361.317 3.266 20 5 FGBDMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000028336909 493786056 /nfs/dbraw/zinc/78/60/56/493786056.db2.gz INWHVLUTPIWLES-QWHCGFSZSA-N 0 1 370.409 3.231 20 5 FGBDMN CCOc1cccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000068795075 493875094 /nfs/dbraw/zinc/87/50/94/493875094.db2.gz VVSGVPGUYMQMTK-LLVKDONJSA-N 0 1 354.366 3.361 20 5 FGBDMN COc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000051855298 493990854 /nfs/dbraw/zinc/99/08/54/493990854.db2.gz SGFWUQGJLMAGMX-CQSZACIVSA-N 0 1 367.409 3.377 20 5 FGBDMN CCCCN(C)C(=O)C1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000052187151 494010429 /nfs/dbraw/zinc/01/04/29/494010429.db2.gz LZBJNYQPSRMUDI-UHFFFAOYSA-N 0 1 363.458 3.074 20 5 FGBDMN Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577283026 505699269 /nfs/dbraw/zinc/69/92/69/505699269.db2.gz HVADVJIRIFFUBI-UHFFFAOYSA-N 0 1 373.384 3.063 20 5 FGBDMN Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000037385714 494104374 /nfs/dbraw/zinc/10/43/74/494104374.db2.gz VXJLCLMNFPVFKS-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000037576006 494108063 /nfs/dbraw/zinc/10/80/63/494108063.db2.gz PCXBAIUUEKVMFY-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2ccccc2n1 ZINC000064350190 494116217 /nfs/dbraw/zinc/11/62/17/494116217.db2.gz OVORXUVDDYBRLP-UHFFFAOYSA-N 0 1 352.394 3.013 20 5 FGBDMN CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000010652664 494158451 /nfs/dbraw/zinc/15/84/51/494158451.db2.gz UIUCMOHWYOGDOX-UHFFFAOYSA-N 0 1 353.382 3.070 20 5 FGBDMN Cc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000087240144 494186172 /nfs/dbraw/zinc/18/61/72/494186172.db2.gz HDZHKIRYCMENIS-GOSISDBHSA-N 0 1 371.437 3.382 20 5 FGBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC000042635285 494231500 /nfs/dbraw/zinc/23/15/00/494231500.db2.gz XUOAYCJVKRKGDQ-IBGZPJMESA-N 0 1 351.406 3.103 20 5 FGBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072838229 494261924 /nfs/dbraw/zinc/26/19/24/494261924.db2.gz VXRCTYNWYSMGSF-DZGCQCFKSA-N 0 1 351.472 3.448 20 5 FGBDMN Cc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000043148465 494270269 /nfs/dbraw/zinc/27/02/69/494270269.db2.gz QXSZHEIMPUCKEC-QGZVFWFLSA-N 0 1 360.389 3.467 20 5 FGBDMN NC(=O)c1ccc(CN(CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000072978046 494297801 /nfs/dbraw/zinc/29/78/01/494297801.db2.gz ZSWYVKBUOIXVMR-UHFFFAOYSA-N 0 1 357.385 3.040 20 5 FGBDMN CCC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089617779 494332407 /nfs/dbraw/zinc/33/24/07/494332407.db2.gz RUYQIHFWYFNAAN-KBPBESRZSA-N 0 1 359.348 3.189 20 5 FGBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066473840 494341613 /nfs/dbraw/zinc/34/16/13/494341613.db2.gz GFNQMXIRMANPMJ-CABCVRRESA-N 0 1 363.458 3.120 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000055589960 494369073 /nfs/dbraw/zinc/36/90/73/494369073.db2.gz OFDHMEJZPGQSMQ-UHFFFAOYSA-N 0 1 358.322 3.305 20 5 FGBDMN CC[C@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068373 494436042 /nfs/dbraw/zinc/43/60/42/494436042.db2.gz MRXHPJXZABMUPE-KXBFYZLASA-N 0 1 355.438 3.383 20 5 FGBDMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)nc1-c1ccccc1 ZINC000090071328 494436564 /nfs/dbraw/zinc/43/65/64/494436564.db2.gz GFLWDPCXYHYNEP-UHFFFAOYSA-N 0 1 356.426 3.181 20 5 FGBDMN C[C@@H](N[C@@H](C)C(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197023 494469374 /nfs/dbraw/zinc/46/93/74/494469374.db2.gz ABSWUXZHGSAUTD-KGLIPLIRSA-N 0 1 359.401 3.132 20 5 FGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)Nc1ccccc1F ZINC000056195852 494469877 /nfs/dbraw/zinc/46/98/77/494469877.db2.gz KVKWOSPWYNCUOZ-VXGBXAGGSA-N 0 1 374.372 3.121 20 5 FGBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1Cl ZINC000090552861 494481133 /nfs/dbraw/zinc/48/11/33/494481133.db2.gz VHHBHRFNAXGLKP-JTQLQIEISA-N 0 1 356.209 3.414 20 5 FGBDMN Cc1ccnc(NC(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000079882373 494542704 /nfs/dbraw/zinc/54/27/04/494542704.db2.gz DHFCQXQXJSTEAZ-UHFFFAOYSA-N 0 1 354.410 3.149 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](Nc4ncccn4)C3)o2)c1 ZINC000580312761 505730435 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COc1cc(CNCc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OC ZINC000192975432 497263633 /nfs/dbraw/zinc/26/36/33/497263633.db2.gz KXWXHNLBESTXRK-UHFFFAOYSA-N 0 1 353.378 3.450 20 5 FGBDMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000271575084 497387162 /nfs/dbraw/zinc/38/71/62/497387162.db2.gz WEEULRLCYIVRPJ-SWLSCSKDSA-N 0 1 372.450 3.441 20 5 FGBDMN CCOc1cc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572168848 505905972 /nfs/dbraw/zinc/90/59/72/505905972.db2.gz NPUZCRBVERGFPQ-SFHVURJKSA-N 0 1 356.378 3.178 20 5 FGBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261827109 497458022 /nfs/dbraw/zinc/45/80/22/497458022.db2.gz PSUIZWAPINRDIP-GOSISDBHSA-N 0 1 373.840 3.354 20 5 FGBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2(N)CCCC2)no1 ZINC000261889616 497468566 /nfs/dbraw/zinc/46/85/66/497468566.db2.gz XISVQULLKWVLHJ-SECBINFHSA-N 0 1 352.778 3.499 20 5 FGBDMN CN(C)Cc1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000267191171 497499248 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357.801 3.288 20 5 FGBDMN CCn1cc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000295962194 497870520 /nfs/dbraw/zinc/87/05/20/497870520.db2.gz HVXHFEWDVYSLJK-WDEREUQCSA-N 0 1 365.821 3.142 20 5 FGBDMN Cc1cc(OCc2nc(-c3ccn4cncc4c3)no2)ccc1[N+](=O)[O-] ZINC000350309781 498074985 /nfs/dbraw/zinc/07/49/85/498074985.db2.gz KLSYIRZIXMIZNA-UHFFFAOYSA-N 0 1 351.322 3.180 20 5 FGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000578591994 505975249 /nfs/dbraw/zinc/97/52/49/505975249.db2.gz OBJCHRMNRDJXQS-LBPRGKRZSA-N 0 1 359.430 3.074 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1c1ccnn1C ZINC000281306280 498098387 /nfs/dbraw/zinc/09/83/87/498098387.db2.gz HUIPDFFVPJCDRT-GOSISDBHSA-N 0 1 371.441 3.193 20 5 FGBDMN COCCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292668407 498101461 /nfs/dbraw/zinc/10/14/61/498101461.db2.gz AVYNPJJTBXTFKJ-GFCCVEGCSA-N 0 1 362.348 3.099 20 5 FGBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCOCC3)C2)cc1C(F)(F)F 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355.438 3.356 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 ZINC000283165099 498803067 /nfs/dbraw/zinc/80/30/67/498803067.db2.gz KOUCKROZEFMKLW-GFCCVEGCSA-N 0 1 360.439 3.368 20 5 FGBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283203774 498816916 /nfs/dbraw/zinc/81/69/16/498816916.db2.gz RMZCBXVRBYLLET-GXTWGEPZSA-N 0 1 367.421 3.469 20 5 FGBDMN O=C(c1cccc([N+](=O)[O-])c1F)N1CCCN(Cc2ccccc2)CC1 ZINC000323603859 498820793 /nfs/dbraw/zinc/82/07/93/498820793.db2.gz JJIRZYMUYCQMDR-UHFFFAOYSA-N 0 1 357.385 3.082 20 5 FGBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)Cc2ccccc2O1 ZINC000573146053 506128650 /nfs/dbraw/zinc/12/86/50/506128650.db2.gz INADGFJPVQOEFJ-UHFFFAOYSA-N 0 1 366.377 3.285 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000363961724 499067923 /nfs/dbraw/zinc/06/79/23/499067923.db2.gz JBZFNIVKGQMXJM-SJLPKXTDSA-N 0 1 358.442 3.197 20 5 FGBDMN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000295699413 499084013 /nfs/dbraw/zinc/08/40/13/499084013.db2.gz TYBUMSYEFYLNHH-AWEZNQCLSA-N 0 1 372.425 3.366 20 5 FGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000364130981 499121322 /nfs/dbraw/zinc/12/13/22/499121322.db2.gz YKIKXTXEDKDLGS-CQSZACIVSA-N 0 1 369.400 3.231 20 5 FGBDMN C[C@@H]1N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC12CCOCC2 ZINC000368217997 499275065 /nfs/dbraw/zinc/27/50/65/499275065.db2.gz CHSCMQYNAQYYJI-ZDUSSCGKSA-N 0 1 358.398 3.036 20 5 FGBDMN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])OCCc2sccc21 ZINC000368665442 499319835 /nfs/dbraw/zinc/31/98/35/499319835.db2.gz GKUGOSGBSSVVSY-MRXNPFEDSA-N 0 1 363.395 3.142 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000369011632 499357088 /nfs/dbraw/zinc/35/70/88/499357088.db2.gz SPPKFRXCPFRQGR-LBPRGKRZSA-N 0 1 354.341 3.240 20 5 FGBDMN COCC[C@H]1CCCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000372097305 499399137 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COc1ccc(CN[C@H]2CCN(C(C)=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000490134684 503115052 /nfs/dbraw/zinc/11/50/52/503115052.db2.gz CCASFXRPSMHQOG-SFHVURJKSA-N 0 1 369.421 3.187 20 5 FGBDMN CCOc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000490345951 503158941 /nfs/dbraw/zinc/15/89/41/503158941.db2.gz SRXSICIMKAZMPV-GHMZBOCLSA-N 0 1 361.402 3.116 20 5 FGBDMN CC[C@@H]1C[C@@]1(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502518430 503215953 /nfs/dbraw/zinc/21/59/53/503215953.db2.gz BZPHGDPYDIRDJO-UZLBHIALSA-N 0 1 353.422 3.417 20 5 FGBDMN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000507078180 503226060 /nfs/dbraw/zinc/22/60/60/503226060.db2.gz RBSVDTPCLIQVJB-ZDUSSCGKSA-N 0 1 358.394 3.260 20 5 FGBDMN COc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1F ZINC000511034408 503239130 /nfs/dbraw/zinc/23/91/30/503239130.db2.gz RLPDYCLROIHTKP-LBPRGKRZSA-N 0 1 361.373 3.340 20 5 FGBDMN Cc1ccc(OCCCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000515573401 503367357 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C[C@H]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000543394682 503751400 /nfs/dbraw/zinc/75/14/00/503751400.db2.gz YBTJELYSPMNYMV-KBPBESRZSA-N 0 1 351.472 3.240 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000543426678 503765387 /nfs/dbraw/zinc/76/53/87/503765387.db2.gz HJIWCFUUMJPAIF-DNVCBOLYSA-N 0 1 368.437 3.140 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2cccc(SC)c2C)ccc1[N+](=O)[O-] ZINC000536991566 503772398 /nfs/dbraw/zinc/77/23/98/503772398.db2.gz SOYUMICZRJDSAM-UHFFFAOYSA-N 0 1 368.436 3.435 20 5 FGBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000537028600 503782017 /nfs/dbraw/zinc/78/20/17/503782017.db2.gz HJRNLXCLRQHIEE-CYBMUJFWSA-N 0 1 373.409 3.291 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCC(COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000517632658 503790922 /nfs/dbraw/zinc/79/09/22/503790922.db2.gz MPTLLELJKPRGMK-UHFFFAOYSA-N 0 1 372.425 3.202 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000543806804 503899263 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FGBDMN CC(C)c1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000544595606 504184850 /nfs/dbraw/zinc/18/48/50/504184850.db2.gz BNSUBKIHVKLBNA-UHFFFAOYSA-N 0 1 353.422 3.294 20 5 FGBDMN Cc1cccc(C(C)(C)CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000520155099 504421330 /nfs/dbraw/zinc/42/13/30/504421330.db2.gz PXROYSHNJGHTRD-UHFFFAOYSA-N 0 1 366.414 3.298 20 5 FGBDMN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000532249888 504585483 /nfs/dbraw/zinc/58/54/83/504585483.db2.gz UGYFGDLPPUXQDU-LRDDRELGSA-N 0 1 361.398 3.191 20 5 FGBDMN Cc1nccnc1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000559341225 504840813 /nfs/dbraw/zinc/84/08/13/504840813.db2.gz QFKIFZKOMUHASK-UHFFFAOYSA-N 0 1 355.423 3.149 20 5 FGBDMN C[C@@H](C(=O)N1CC(N(C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000553172630 504844169 /nfs/dbraw/zinc/84/41/69/504844169.db2.gz WEHRFJRQMHCCFQ-CQSZACIVSA-N 0 1 371.412 3.180 20 5 FGBDMN COC(=O)[C@]1(C)CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000549613717 504859420 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VNUIJCPYHPMEQT-UHFFFAOYSA-N 0 1 372.450 3.487 20 5 FGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425551520 500142712 /nfs/dbraw/zinc/14/27/12/500142712.db2.gz JSQCPNBHOYHIKZ-KSSFIOAISA-N 0 1 373.453 3.203 20 5 FGBDMN CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000429912657 500166100 /nfs/dbraw/zinc/16/61/00/500166100.db2.gz XPIFAQSECKCZQG-QGZVFWFLSA-N 0 1 367.449 3.263 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000430211423 500210217 /nfs/dbraw/zinc/21/02/17/500210217.db2.gz JCXWFQFCSFTDKR-ZDUSSCGKSA-N 0 1 353.382 3.035 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000430237904 500213335 /nfs/dbraw/zinc/21/33/35/500213335.db2.gz KBIKXMCRWABDER-UHFFFAOYSA-N 0 1 370.449 3.421 20 5 FGBDMN COc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430297751 500223274 /nfs/dbraw/zinc/22/32/74/500223274.db2.gz GAQQGFPQIUULGX-MRXNPFEDSA-N 0 1 369.421 3.088 20 5 FGBDMN 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FGBDMN O=C(N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1csc(C(F)(F)F)n1 ZINC000500396839 503614215 /nfs/dbraw/zinc/61/42/15/503614215.db2.gz WKQGFBQVZUZDAC-UHFFFAOYSA-N 0 1 368.296 3.293 20 5 FGBDMN O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c1 ZINC000546420311 503742224 /nfs/dbraw/zinc/74/22/24/503742224.db2.gz JLRVDSHYQKKZHV-UHFFFAOYSA-N 0 1 366.312 3.160 20 5 FGBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000543424363 503763925 /nfs/dbraw/zinc/76/39/25/503763925.db2.gz SCSRRCWZSRXGJK-IBGZPJMESA-N 0 1 352.369 3.446 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2c2ccccc2)c1 ZINC000517555712 503770570 /nfs/dbraw/zinc/77/05/70/503770570.db2.gz ZPWYEAJTTDCRHD-KRWDZBQOSA-N 0 1 357.435 3.103 20 5 FGBDMN COc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)ccc1OCCO ZINC000537076166 503794287 /nfs/dbraw/zinc/79/42/87/503794287.db2.gz SPQXEYCLZWXHSH-CQSZACIVSA-N 0 1 360.410 3.134 20 5 FGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000533296029 503797455 /nfs/dbraw/zinc/79/74/55/503797455.db2.gz SFJYMOSHZAUGRN-NVXWUHKLSA-N 0 1 353.422 3.486 20 5 FGBDMN C[N@@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1)C1CC1 ZINC000537169254 503825917 /nfs/dbraw/zinc/82/59/17/503825917.db2.gz RQNKAPJQHBCNLL-UHFFFAOYSA-N 0 1 355.394 3.189 20 5 FGBDMN C/C(=C\c1ccccc1)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543620993 503831111 /nfs/dbraw/zinc/83/11/11/503831111.db2.gz AFCISBOWUAPGPH-FYWRMAATSA-N 0 1 360.435 3.062 20 5 FGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000533431229 503842929 /nfs/dbraw/zinc/84/29/29/503842929.db2.gz NIFOUTYEUWMLPX-NVXWUHKLSA-N 0 1 353.422 3.486 20 5 FGBDMN COC(=O)c1ccccc1OCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000541070813 503995329 /nfs/dbraw/zinc/99/53/29/503995329.db2.gz XABSPACOLPDKHL-UHFFFAOYSA-N 0 1 370.405 3.425 20 5 FGBDMN CC1CC[NH+](CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)CC1 ZINC000537703577 504010753 /nfs/dbraw/zinc/01/07/53/504010753.db2.gz JRWPDEPIMQRKDE-UHFFFAOYSA-N 0 1 356.426 3.450 20 5 FGBDMN Cc1ccc(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000530665532 504045148 /nfs/dbraw/zinc/04/51/48/504045148.db2.gz UGGYYERHOQWEBG-UHFFFAOYSA-N 0 1 356.426 3.003 20 5 FGBDMN Cc1ccc(SCCNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000538176221 504153213 /nfs/dbraw/zinc/15/32/13/504153213.db2.gz HDIXBPMZFGIULZ-OAHLLOKOSA-N 0 1 373.478 3.462 20 5 FGBDMN COc1ccccc1[C@H](C)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538175526 504154066 /nfs/dbraw/zinc/15/40/66/504154066.db2.gz MXVVJFCEZWWXCB-GJZGRUSLSA-N 0 1 371.437 3.474 20 5 FGBDMN O=C(CCN1CCO[C@H](C2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000544547555 504169210 /nfs/dbraw/zinc/16/92/10/504169210.db2.gz SBVAXXJOAGCXBD-SFHVURJKSA-N 0 1 361.442 3.205 20 5 FGBDMN O=C1CCCN1Cc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519559468 504252812 /nfs/dbraw/zinc/25/28/12/504252812.db2.gz SGXLJDLCNHHJOK-IBGZPJMESA-N 0 1 365.433 3.494 20 5 FGBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000541787547 504255414 /nfs/dbraw/zinc/25/54/14/504255414.db2.gz QOLGGTNRMSBMIB-MRXNPFEDSA-N 0 1 364.352 3.297 20 5 FGBDMN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000542071312 504356079 /nfs/dbraw/zinc/35/60/79/504356079.db2.gz XFGHCYWDVUENGW-UHFFFAOYSA-N 0 1 368.349 3.254 20 5 FGBDMN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000532124517 504541710 /nfs/dbraw/zinc/54/17/10/504541710.db2.gz PYUXAVXAPCZALU-HNNXBMFYSA-N 0 1 364.442 3.417 20 5 FGBDMN CCOc1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542727451 504590029 /nfs/dbraw/zinc/59/00/29/504590029.db2.gz JEERBHIKFICOEX-UHFFFAOYSA-N 0 1 350.396 3.411 20 5 FGBDMN COc1cc(OC)cc(N2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000532344238 504617190 /nfs/dbraw/zinc/61/71/90/504617190.db2.gz VLEANEMTYRRMTE-UHFFFAOYSA-N 0 1 371.437 3.324 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000521155311 504663404 /nfs/dbraw/zinc/66/34/04/504663404.db2.gz XGMOIUMOEAEDAP-RWMBFGLXSA-N 0 1 356.419 3.371 20 5 FGBDMN Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000546036280 504682045 /nfs/dbraw/zinc/68/20/45/504682045.db2.gz ZADLBMKZUUCRNC-KRWDZBQOSA-N 0 1 360.389 3.467 20 5 FGBDMN COc1cc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000539823032 504703530 /nfs/dbraw/zinc/70/35/30/504703530.db2.gz ZCKVPMSEKNZXPF-AEFFLSMTSA-N 0 1 352.431 3.247 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1CC(c2ccccc2)C1 ZINC000549238259 504734574 /nfs/dbraw/zinc/73/45/74/504734574.db2.gz LLJKEKOZIKIHBB-UHFFFAOYSA-N 0 1 364.398 3.206 20 5 FGBDMN Cc1ccnc([C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000565171618 504815188 /nfs/dbraw/zinc/81/51/88/504815188.db2.gz IKJCLGMLOAEAPO-HNNXBMFYSA-N 0 1 365.393 3.338 20 5 FGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2cncn2c1 ZINC000556439021 504874795 /nfs/dbraw/zinc/87/47/95/504874795.db2.gz CWFRMMXASJAPCJ-UHFFFAOYSA-N 0 1 364.283 3.191 20 5 FGBDMN CC(C)[N@@H+](C)Cc1ccccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565483606 504900560 /nfs/dbraw/zinc/90/05/60/504900560.db2.gz LUBGPPBJCPTWSK-UHFFFAOYSA-N 0 1 358.398 3.140 20 5 FGBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2nc[nH]c21 ZINC000557157663 505080656 /nfs/dbraw/zinc/08/06/56/505080656.db2.gz UNYMFMUXOIHFPU-UHFFFAOYSA-N 0 1 361.155 3.486 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000557186173 505088070 /nfs/dbraw/zinc/08/80/70/505088070.db2.gz AZKYXVWYVWZUQF-KRWDZBQOSA-N 0 1 366.295 3.290 20 5 FGBDMN COc1cc(CN[C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000566217802 505114757 /nfs/dbraw/zinc/11/47/57/505114757.db2.gz XTZBUCKOBMCNKJ-YOEHRIQHSA-N 0 1 372.421 3.449 20 5 FGBDMN COC(=O)COc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000560556169 505125312 /nfs/dbraw/zinc/12/53/12/505125312.db2.gz JIMOKJPXBVXYHT-KRWDZBQOSA-N 0 1 350.415 3.013 20 5 FGBDMN CC1=C[C@@H](C)C[C@@H](CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000560623882 505147656 /nfs/dbraw/zinc/14/76/56/505147656.db2.gz FPYDWLPEELVYII-NVXWUHKLSA-N 0 1 357.454 3.345 20 5 FGBDMN CCc1cc(NC(=O)c2ccc3cncn3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000551261378 505187529 /nfs/dbraw/zinc/18/75/29/505187529.db2.gz BFBBUWFNQWXVIO-UHFFFAOYSA-N 0 1 361.361 3.027 20 5 FGBDMN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000567085946 505359643 /nfs/dbraw/zinc/35/96/43/505359643.db2.gz QPFOJNVTEKUAEF-AWEZNQCLSA-N 0 1 373.409 3.125 20 5 FGBDMN CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000555547597 505452683 /nfs/dbraw/zinc/45/26/83/505452683.db2.gz NUVUWRZNHOLGFX-LJQANCHMSA-N 0 1 355.438 3.164 20 5 FGBDMN CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599396636 506440877 /nfs/dbraw/zinc/44/08/77/506440877.db2.gz SVCQDPHWBAXIIP-HNNXBMFYSA-N 0 1 366.462 3.185 20 5 FGBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593189224 506452361 /nfs/dbraw/zinc/45/23/61/506452361.db2.gz YDRFIGVQBUXXNG-AXFHLTTASA-N 0 1 359.348 3.167 20 5 FGBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593189224 506452366 /nfs/dbraw/zinc/45/23/66/506452366.db2.gz YDRFIGVQBUXXNG-AXFHLTTASA-N 0 1 359.348 3.167 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000589162705 506464550 /nfs/dbraw/zinc/46/45/50/506464550.db2.gz UAGPFPBRONJVEJ-GJZGRUSLSA-N 0 1 364.364 3.419 20 5 FGBDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599833391 506667055 /nfs/dbraw/zinc/66/70/55/506667055.db2.gz RCXIBASOXUBKKI-CHWSQXEVSA-N 0 1 357.414 3.089 20 5 FGBDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838031 506671021 /nfs/dbraw/zinc/67/10/21/506671021.db2.gz HWPLCBILMHOOAS-ZDUSSCGKSA-N 0 1 357.414 3.091 20 5 FGBDMN O=[N+]([O-])c1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000590052915 506717677 /nfs/dbraw/zinc/71/76/77/506717677.db2.gz CUXDMCXXRYKOLK-FVQHAEBGSA-N 0 1 358.369 3.196 20 5 FGBDMN CC(C)c1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1[N+](=O)[O-] ZINC000593686699 506730592 /nfs/dbraw/zinc/73/05/92/506730592.db2.gz HBNKQJVYSDJEJA-UHFFFAOYSA-N 0 1 364.409 3.255 20 5 FGBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000593730856 506752615 /nfs/dbraw/zinc/75/26/15/506752615.db2.gz IQXGOIBHBZQWJM-SFHVURJKSA-N 0 1 369.421 3.394 20 5 FGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])n4C)C3)[nH]c2c1 ZINC000608986395 506759442 /nfs/dbraw/zinc/75/94/42/506759442.db2.gz BIHHTUZIFAWMNY-CYBMUJFWSA-N 0 1 367.409 3.138 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCCc1ccccc1 ZINC000609019527 506763885 /nfs/dbraw/zinc/76/38/85/506763885.db2.gz XSKTVGUJLWXWLZ-UHFFFAOYSA-N 0 1 366.414 3.425 20 5 FGBDMN CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609041934 506767935 /nfs/dbraw/zinc/76/79/35/506767935.db2.gz NELPQVQJOWGBCD-CYBMUJFWSA-N 0 1 352.387 3.034 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000590556403 506858905 /nfs/dbraw/zinc/85/89/05/506858905.db2.gz 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20 5 FGBDMN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979018 500775240 /nfs/dbraw/zinc/77/52/40/500775240.db2.gz AFXWEMGTHZWFHC-ZFWWWQNUSA-N 0 1 371.441 3.007 20 5 FGBDMN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979015 500775344 /nfs/dbraw/zinc/77/53/44/500775344.db2.gz AFXWEMGTHZWFHC-DZGCQCFKSA-N 0 1 371.441 3.007 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N2CCSC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000434712743 500883488 /nfs/dbraw/zinc/88/34/88/500883488.db2.gz WRPCIAWIGCLCER-ZDUSSCGKSA-N 0 1 351.472 3.448 20 5 FGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c(Br)cncc1[N+](=O)[O-] ZINC000444868043 500913980 /nfs/dbraw/zinc/91/39/80/500913980.db2.gz GFSNXCRGJRBWGH-UHFFFAOYSA-N 0 1 368.235 3.409 20 5 FGBDMN COc1cc(CN2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449684040 501062278 /nfs/dbraw/zinc/06/22/78/501062278.db2.gz KKWIYZCXJSFDIM-KRWDZBQOSA-N 0 1 372.368 3.207 20 5 FGBDMN COc1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000436241276 501094146 /nfs/dbraw/zinc/09/41/46/501094146.db2.gz JWGGSVUWCHDNRR-UHFFFAOYSA-N 0 1 370.384 3.277 20 5 FGBDMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446878690 501176171 /nfs/dbraw/zinc/17/61/71/501176171.db2.gz CFVHVVMIIFRWDZ-UHFFFAOYSA-N 0 1 374.400 3.354 20 5 FGBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000436643457 501177476 /nfs/dbraw/zinc/17/74/76/501177476.db2.gz FAVBQFFBLMOOLD-UHFFFAOYSA-N 0 1 358.350 3.462 20 5 FGBDMN COCC[C@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000447072680 501201354 /nfs/dbraw/zinc/20/13/54/501201354.db2.gz MVIAASKUGVKLNK-KRWDZBQOSA-N 0 1 363.439 3.004 20 5 FGBDMN Cc1cc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000451160637 501249027 /nfs/dbraw/zinc/24/90/27/501249027.db2.gz FYMIWOOYUZCDMH-CYBMUJFWSA-N 0 1 357.385 3.282 20 5 FGBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC(C)(C)O1 ZINC000451258480 501255593 /nfs/dbraw/zinc/25/55/93/501255593.db2.gz ROXGCYFHBYWCFK-UHFFFAOYSA-N 0 1 358.398 3.015 20 5 FGBDMN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451535738 501315897 /nfs/dbraw/zinc/31/58/97/501315897.db2.gz PULGSKORNXUFFJ-JOYOIKCWSA-N 0 1 368.315 3.398 20 5 FGBDMN COC(=O)[C@@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451587303 501330726 /nfs/dbraw/zinc/33/07/26/501330726.db2.gz BODOXEWVLFTGLW-CVEARBPZSA-N 0 1 359.382 3.071 20 5 FGBDMN CC(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CO)C(C)C ZINC000451616030 501337410 /nfs/dbraw/zinc/33/74/10/501337410.db2.gz QQIURMYNURXYHG-DOTOQJQBSA-N 0 1 362.430 3.024 20 5 FGBDMN CCOc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(F)cc1OC ZINC000598961848 506247095 /nfs/dbraw/zinc/24/70/95/506247095.db2.gz ZQJWJKNSKIXIJM-UHFFFAOYSA-N 0 1 364.373 3.310 20 5 FGBDMN COC[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110729 501437513 /nfs/dbraw/zinc/43/75/13/501437513.db2.gz ZNJCNXDFTXQVDZ-UONOGXRCSA-N 0 1 360.414 3.454 20 5 FGBDMN C[C@@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)OCCc2sccc21 ZINC000602666848 506254735 /nfs/dbraw/zinc/25/47/35/506254735.db2.gz MCEYEFIRHJDNJU-KRWDZBQOSA-N 0 1 359.407 3.375 20 5 FGBDMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839114 501571800 /nfs/dbraw/zinc/57/18/00/501571800.db2.gz FWEGAXVHGMRKGF-AWEZNQCLSA-N 0 1 350.378 3.491 20 5 FGBDMN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC000456924850 501620295 /nfs/dbraw/zinc/62/02/95/501620295.db2.gz PZBBZFFXFZVUIC-HDJSIYSDSA-N 0 1 372.425 3.468 20 5 FGBDMN O=c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C2CC2)[nH]1 ZINC000459517785 501668327 /nfs/dbraw/zinc/66/83/27/501668327.db2.gz RPGADSZSEPXUAX-OAHLLOKOSA-N 0 1 354.410 3.347 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c2ncccc12 ZINC000463513367 501748310 /nfs/dbraw/zinc/74/83/10/501748310.db2.gz DTXTVNARYODALW-UHFFFAOYSA-N 0 1 369.402 3.433 20 5 FGBDMN COc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cc([N+](=O)[O-])c1OC ZINC000474434661 501835463 /nfs/dbraw/zinc/83/54/63/501835463.db2.gz AHHYQJFGEOYLNT-UHFFFAOYSA-N 0 1 370.720 3.362 20 5 FGBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000474434325 501835695 /nfs/dbraw/zinc/83/56/95/501835695.db2.gz KVBZSMRCIKQARM-UHFFFAOYSA-N 0 1 354.677 3.074 20 5 FGBDMN CSc1cccc(C(=O)NCc2nc3cccc(C)c3[nH]2)c1[N+](=O)[O-] ZINC000485500748 501839204 /nfs/dbraw/zinc/83/92/04/501839204.db2.gz KESDKJBIIPCDTK-UHFFFAOYSA-N 0 1 356.407 3.431 20 5 FGBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481674155 501846411 /nfs/dbraw/zinc/84/64/11/501846411.db2.gz IBXYNGOCBFJOOC-HXUWFJFHSA-N 0 1 354.406 3.495 20 5 FGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481773240 501879127 /nfs/dbraw/zinc/87/91/27/501879127.db2.gz ZWUVUQFCWFJKCN-UHFFFAOYSA-N 0 1 359.813 3.199 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)c1 ZINC000602738152 506280665 /nfs/dbraw/zinc/28/06/65/506280665.db2.gz KVMNRSPOZAROLO-SWLSCSKDSA-N 0 1 370.327 3.457 20 5 FGBDMN O=[N+]([O-])c1cccnc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000474781232 501950923 /nfs/dbraw/zinc/95/09/23/501950923.db2.gz WRBOLDHJBGWZPP-UHFFFAOYSA-N 0 1 360.389 3.084 20 5 FGBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000464558511 502027268 /nfs/dbraw/zinc/02/72/68/502027268.db2.gz ZHSYMAORBJPHSB-UHFFFAOYSA-N 0 1 361.155 3.486 20 5 FGBDMN COc1ccc2c(c1)CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000464682173 502062796 /nfs/dbraw/zinc/06/27/96/502062796.db2.gz FINBGXGJKGFYMP-UHFFFAOYSA-N 0 1 360.385 3.352 20 5 FGBDMN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464743678 502078903 /nfs/dbraw/zinc/07/89/03/502078903.db2.gz ZZHVPPLHFDBLJT-GXTWGEPZSA-N 0 1 363.414 3.163 20 5 FGBDMN COC(=O)c1c(Cl)c(N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000596178541 506294908 /nfs/dbraw/zinc/29/49/08/506294908.db2.gz KSXLNBMSGRJAGV-MRVPVSSYSA-N 0 1 367.793 3.449 20 5 FGBDMN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000596180908 506296112 /nfs/dbraw/zinc/29/61/12/506296112.db2.gz ZVAMSSNRWCABQR-RDJZCZTQSA-N 0 1 374.828 3.204 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1C ZINC000479142987 502174996 /nfs/dbraw/zinc/17/49/96/502174996.db2.gz RYLQMFYNRKRSRB-CYBMUJFWSA-N 0 1 366.361 3.221 20 5 FGBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1CCCCC2 ZINC000476247637 502428116 /nfs/dbraw/zinc/42/81/16/502428116.db2.gz CXCFNFUNPSCHPB-UHFFFAOYSA-N 0 1 356.426 3.340 20 5 FGBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000480069147 502464106 /nfs/dbraw/zinc/46/41/06/502464106.db2.gz KFUONJDBTNTNRH-UHFFFAOYSA-N 0 1 368.324 3.329 20 5 FGBDMN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN(Cc2cccnc2)CC1 ZINC000487772077 502526676 /nfs/dbraw/zinc/52/66/76/502526676.db2.gz PNAIKYKOKLRDMC-UHFFFAOYSA-N 0 1 363.421 3.036 20 5 FGBDMN Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976173 506318972 /nfs/dbraw/zinc/31/89/72/506318972.db2.gz YXRAGAXJQTUYJC-INIZCTEOSA-N 0 1 369.421 3.312 20 5 FGBDMN Cc1c2ccccc2n(C)c1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473284789 502559169 /nfs/dbraw/zinc/55/91/69/502559169.db2.gz VKQUKPGHOSRFKY-UHFFFAOYSA-N 0 1 363.377 3.201 20 5 FGBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000462782738 502569772 /nfs/dbraw/zinc/56/97/72/502569772.db2.gz XTSGDQXMAVSQRM-JSGCOSHPSA-N 0 1 359.430 3.282 20 5 FGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000480481066 502579243 /nfs/dbraw/zinc/57/92/43/502579243.db2.gz UFVYHXKRMDNIMA-CQSZACIVSA-N 0 1 370.327 3.029 20 5 FGBDMN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](c1ccco1)N1CCCC1 ZINC000473512354 502616617 /nfs/dbraw/zinc/61/66/17/502616617.db2.gz HILVUKLGZHOLOB-QGZVFWFLSA-N 0 1 352.394 3.407 20 5 FGBDMN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)n1 ZINC000476910299 502618551 /nfs/dbraw/zinc/61/85/51/502618551.db2.gz FURBKXHMNMCXJV-UHFFFAOYSA-N 0 1 368.349 3.474 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462951410 502639321 /nfs/dbraw/zinc/63/93/21/502639321.db2.gz ZQOMUOKJUFITAV-ZFWWWQNUSA-N 0 1 357.385 3.498 20 5 FGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2SC)cc1[N+](=O)[O-] ZINC000488297322 502679328 /nfs/dbraw/zinc/67/93/28/502679328.db2.gz KRCAHKFFFOVQOM-UHFFFAOYSA-N 0 1 372.399 3.265 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000477312787 502739134 /nfs/dbraw/zinc/73/91/34/502739134.db2.gz XZUJHUUXQZPHNZ-QMMMGPOBSA-N 0 1 371.319 3.346 20 5 FGBDMN CC(C)(C)c1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000505112856 502853181 /nfs/dbraw/zinc/85/31/81/502853181.db2.gz GWWJRNXXPMCQLA-UHFFFAOYSA-N 0 1 365.393 3.147 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000489154947 502889749 /nfs/dbraw/zinc/88/97/49/502889749.db2.gz ATHHRQZYYCRGSD-MWLCHTKSSA-N 0 1 361.402 3.034 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)n[nH]1 ZINC000489219228 502903986 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365.437 3.057 20 5 FGBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1c(O)cccc1Cl ZINC000590597754 506873827 /nfs/dbraw/zinc/87/38/27/506873827.db2.gz PQELRNXDKPGYFM-UHFFFAOYSA-N 0 1 363.178 3.408 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000590604062 506877701 /nfs/dbraw/zinc/87/77/01/506877701.db2.gz UQCNXUQRLVKEBB-KBXCAEBGSA-N 0 1 358.442 3.191 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4cc(Cl)cnc4o3)C2)nc1 ZINC000590639587 506893712 /nfs/dbraw/zinc/89/37/12/506893712.db2.gz ZKZJSGADDLPBGF-ZDUSSCGKSA-N 0 1 373.800 3.471 20 5 FGBDMN CCOCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600445658 506957740 /nfs/dbraw/zinc/95/77/40/506957740.db2.gz LTIGZNNEQAGACA-INIZCTEOSA-N 0 1 372.425 3.047 20 5 FGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnn(-c2ccncc2)c1 ZINC000609785126 507000378 /nfs/dbraw/zinc/00/03/78/507000378.db2.gz IQEPRCNIRJLBBS-UHFFFAOYSA-N 0 1 357.757 3.010 20 5 FGBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609854237 507025001 /nfs/dbraw/zinc/02/50/01/507025001.db2.gz SZTQTQNEUOJSCP-INIZCTEOSA-N 0 1 359.813 3.253 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1C(=O)[O-] ZINC000600798997 507127459 /nfs/dbraw/zinc/12/74/59/507127459.db2.gz CTBGXGBSQYNNCR-IAQYHMDHSA-N 0 1 361.423 3.261 20 5 FGBDMN COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000600799821 507127657 /nfs/dbraw/zinc/12/76/57/507127657.db2.gz GIQDRWXTAPRJOR-WFASDCNBSA-N 0 1 374.393 3.406 20 5 FGBDMN CCC(C)(C)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000594590450 507199779 /nfs/dbraw/zinc/19/97/79/507199779.db2.gz BCLDHKDIJBKIMR-UHFFFAOYSA-N 0 1 357.252 3.063 20 5 FGBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600966848 507210948 /nfs/dbraw/zinc/21/09/48/507210948.db2.gz UNKZHMCQOHJZQO-AWEZNQCLSA-N 0 1 363.414 3.362 20 5 FGBDMN CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000600991894 507219012 /nfs/dbraw/zinc/21/90/12/507219012.db2.gz PQRYVNPZWVYGJQ-UHFFFAOYSA-N 0 1 371.412 3.301 20 5 FGBDMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601011562 507227762 /nfs/dbraw/zinc/22/77/62/507227762.db2.gz VRDLCHQJRKHXMS-DZGCQCFKSA-N 0 1 357.385 3.299 20 5 FGBDMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000594733817 507259404 /nfs/dbraw/zinc/25/94/04/507259404.db2.gz HFOBIRBNNBDTNH-PMPSAXMXSA-N 0 1 362.426 3.459 20 5 FGBDMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000594733815 507260320 /nfs/dbraw/zinc/26/03/20/507260320.db2.gz HFOBIRBNNBDTNH-JYJNAYRXSA-N 0 1 362.426 3.459 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601136970 507273821 /nfs/dbraw/zinc/27/38/21/507273821.db2.gz OFTUHWQEGFGSOU-CQSZACIVSA-N 0 1 356.300 3.142 20 5 FGBDMN CC(C)c1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601145476 507275397 /nfs/dbraw/zinc/27/53/97/507275397.db2.gz WWTVWGAUHNDCOY-CQSZACIVSA-N 0 1 357.336 3.203 20 5 FGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](n1cncn1)C(F)(F)F)CCCC2 ZINC000601293305 507326066 /nfs/dbraw/zinc/32/60/66/507326066.db2.gz DOTBPDLANFQPQT-HUUCEWRRSA-N 0 1 369.347 3.347 20 5 FGBDMN CCc1ccc([C@H]2CNCCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000591684830 507331448 /nfs/dbraw/zinc/33/14/48/507331448.db2.gz KLNKOGUVQZTFQK-HXUWFJFHSA-N 0 1 367.449 3.181 20 5 FGBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000610712098 507359486 /nfs/dbraw/zinc/35/94/86/507359486.db2.gz QBNQKHMOIHJVML-HNNXBMFYSA-N 0 1 371.412 3.471 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(N2CCOCC2)c1 ZINC000595037426 507363516 /nfs/dbraw/zinc/36/35/16/507363516.db2.gz GDBSYSPESQOHTL-HNNXBMFYSA-N 0 1 371.437 3.291 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598498736 507456488 /nfs/dbraw/zinc/45/64/88/507456488.db2.gz AYFZYPBGLSKUMK-UHFFFAOYSA-N 0 1 366.373 3.381 20 5 FGBDMN C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510148 507466862 /nfs/dbraw/zinc/46/68/62/507466862.db2.gz NQVSFWHKBCRNTF-DNVCBOLYSA-N 0 1 353.422 3.089 20 5 FGBDMN Cc1ccccc1C(F)(F)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595364558 507472288 /nfs/dbraw/zinc/47/22/88/507472288.db2.gz HMCHMTYZRSVFHV-UHFFFAOYSA-N 0 1 370.377 3.115 20 5 FGBDMN O=[N+]([O-])c1ccn(C2CCN(CCSc3ccc(F)cc3F)CC2)n1 ZINC000595479637 507520808 /nfs/dbraw/zinc/52/08/08/507520808.db2.gz GCMCBRSQCJAQTH-UHFFFAOYSA-N 0 1 368.409 3.499 20 5 FGBDMN CCCO[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271234 507594248 /nfs/dbraw/zinc/59/42/48/507594248.db2.gz SAKAPTIQSKMMCO-OAHLLOKOSA-N 0 1 350.415 3.147 20 5 FGBDMN O=C([O-])[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000592396874 507638223 /nfs/dbraw/zinc/63/82/23/507638223.db2.gz CUZKAHYHLQFLKI-RBUKOAKNSA-N 0 1 370.405 3.164 20 5 FGBDMN COc1ccc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741412 507641040 /nfs/dbraw/zinc/64/10/40/507641040.db2.gz ZFQJGPOOZFADJA-OAHLLOKOSA-N 0 1 356.426 3.126 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000614740625 507641087 /nfs/dbraw/zinc/64/10/87/507641087.db2.gz HFPIPIGFPDQHLR-INIZCTEOSA-N 0 1 356.426 3.126 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595715974 507645553 /nfs/dbraw/zinc/64/55/53/507645553.db2.gz ZQRJFKMDBWLQDO-CYBMUJFWSA-N 0 1 368.315 3.446 20 5 FGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c2c(c1)COCO2 ZINC000595791865 507688674 /nfs/dbraw/zinc/68/86/74/507688674.db2.gz XMLPNJPDKIEGLA-KBXCAEBGSA-N 0 1 362.426 3.242 20 5 FGBDMN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000592526580 507696591 /nfs/dbraw/zinc/69/65/91/507696591.db2.gz IBENDTKBSSXMCO-MRXNPFEDSA-N 0 1 373.375 3.219 20 5 FGBDMN Cn1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])n1 ZINC000602481190 507722477 /nfs/dbraw/zinc/72/24/77/507722477.db2.gz AOVFBMYJKBQSFG-GFCCVEGCSA-N 0 1 361.471 3.043 20 5 FGBDMN O=[N+]([O-])c1ccsc1Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000611540326 507728388 /nfs/dbraw/zinc/72/83/88/507728388.db2.gz DNWZQZUYTMRJQF-UHFFFAOYSA-N 0 1 362.392 3.364 20 5 FGBDMN CN(C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(F)c1 ZINC000602502306 507730294 /nfs/dbraw/zinc/73/02/94/507730294.db2.gz GWICXMCUAIAXEU-MRXNPFEDSA-N 0 1 358.373 3.268 20 5 FGBDMN COc1ccc(COCCCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602529506 507738091 /nfs/dbraw/zinc/73/80/91/507738091.db2.gz FZBMSDVLQZPHQR-UHFFFAOYSA-N 0 1 371.393 3.441 20 5 FGBDMN CCC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829458262 604269182 /nfs/dbraw/zinc/26/91/82/604269182.db2.gz MEFOGUFXTGJFAX-NSHDSACASA-N 0 1 355.822 3.115 20 5 FGBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833811691 605605365 /nfs/dbraw/zinc/60/53/65/605605365.db2.gz DOMDHEVTAUFIRF-GXTWGEPZSA-N 0 1 374.397 3.118 20 5 FGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000030529878 695724427 /nfs/dbraw/zinc/72/44/27/695724427.db2.gz MAJDXCDLGRLOCO-UHFFFAOYSA-N 0 1 371.758 3.266 20 5 FGBDMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnc([C@@H]2CCCO2)s1 ZINC000089749657 700394663 /nfs/dbraw/zinc/39/46/63/700394663.db2.gz GKUAXFHRXINAJE-NSHDSACASA-N 0 1 355.322 3.433 20 5 FGBDMN CC(C)N(C)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120007684 700645583 /nfs/dbraw/zinc/64/55/83/700645583.db2.gz WYZMOLTVZYPKTQ-UHFFFAOYSA-N 0 1 373.431 3.441 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)cs1 ZINC000120156087 700649498 /nfs/dbraw/zinc/64/94/98/700649498.db2.gz DDSKCUMPSBFUPT-SNVBAGLBSA-N 0 1 358.363 3.056 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1F ZINC000154258851 705028150 /nfs/dbraw/zinc/02/81/50/705028150.db2.gz OXCLGEKSSDDPPK-UHFFFAOYSA-N 0 1 369.330 3.060 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374009892 713892753 /nfs/dbraw/zinc/89/27/53/713892753.db2.gz HSWTYLJTYUEQQT-UHFFFAOYSA-N 0 1 365.231 3.391 20 5 FGBDMN 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0 1 370.453 3.226 20 5 FGBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000292587548 498070198 /nfs/dbraw/zinc/07/01/98/498070198.db2.gz GXMPHEXAGGIMBH-CQSZACIVSA-N 0 1 361.377 3.343 20 5 FGBDMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000301489820 498132533 /nfs/dbraw/zinc/13/25/33/498132533.db2.gz AEANQMOOOKVKTQ-LLVKDONJSA-N 0 1 355.192 3.060 20 5 FGBDMN COc1cc(NCC2(CN3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301550544 498159246 /nfs/dbraw/zinc/15/92/46/498159246.db2.gz FXRRAFQCJFNEDF-UHFFFAOYSA-N 0 1 363.458 3.298 20 5 FGBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000364912971 498206166 /nfs/dbraw/zinc/20/61/66/498206166.db2.gz DEWXNALWRXLXDA-INIZCTEOSA-N 0 1 365.393 3.406 20 5 FGBDMN COc1cc(CN2CCC(c3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC000289806174 498301696 /nfs/dbraw/zinc/30/16/96/498301696.db2.gz NCAAPSHLVAGHHK-UHFFFAOYSA-N 0 1 357.410 3.387 20 5 FGBDMN O=[N+]([O-])c1ccccc1Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000302023461 498373179 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370.377 3.096 20 5 FGBDMN CCc1ccc([C@@H](NCCCn2ccnn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543417995 503762191 /nfs/dbraw/zinc/76/21/91/503762191.db2.gz KSFWMHXSMKNPQV-SFHVURJKSA-N 0 1 355.398 3.111 20 5 FGBDMN C[C@@H]1CCN(CC(=O)Nc2cc(N3CC[C@H](C)[C@H]3C)ccc2[N+](=O)[O-])[C@H]1C ZINC000533311012 503803360 /nfs/dbraw/zinc/80/33/60/503803360.db2.gz XITYDYYXJMUGQG-FXUDXRNXSA-N 0 1 374.485 3.498 20 5 FGBDMN COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1[N+](=O)[O-] ZINC000540589122 503825587 /nfs/dbraw/zinc/82/55/87/503825587.db2.gz OBGKHNQHXWHHPR-UHFFFAOYSA-N 0 1 370.361 3.426 20 5 FGBDMN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533426505 503840466 /nfs/dbraw/zinc/84/04/66/503840466.db2.gz JTZDJSWXRHZXJG-OCCSQVGLSA-N 0 1 363.414 3.163 20 5 FGBDMN CCOc1ccc(NC(=O)CNC(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000546810515 503886890 /nfs/dbraw/zinc/88/68/90/503886890.db2.gz FCYTZMUTKMXMIX-UHFFFAOYSA-N 0 1 372.425 3.160 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000543858022 503918409 /nfs/dbraw/zinc/91/84/09/503918409.db2.gz KWESEDOSEVVWSP-UHFFFAOYSA-N 0 1 374.321 3.006 20 5 FGBDMN COc1cc(CN2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000518331846 503954121 /nfs/dbraw/zinc/95/41/21/503954121.db2.gz HPBAAURKZFUZFX-HNNXBMFYSA-N 0 1 372.368 3.084 20 5 FGBDMN COC(=O)COc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000530436333 503963934 /nfs/dbraw/zinc/96/39/34/503963934.db2.gz VYXYUYPBIIKSFT-UHFFFAOYSA-N 0 1 355.350 3.307 20 5 FGBDMN O=C(CN[C@@H](c1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544410242 504122633 /nfs/dbraw/zinc/12/26/33/504122633.db2.gz JXHIWRFWEKVRPX-QGZVFWFLSA-N 0 1 360.801 3.323 20 5 FGBDMN COc1ccc(C2(NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000538158598 504149390 /nfs/dbraw/zinc/14/93/90/504149390.db2.gz IOPVYERMXVRKBF-UHFFFAOYSA-N 0 1 355.394 3.129 20 5 FGBDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538175527 504153722 /nfs/dbraw/zinc/15/37/22/504153722.db2.gz MXVVJFCEZWWXCB-HUUCEWRRSA-N 0 1 371.437 3.474 20 5 FGBDMN COC(=O)c1cc(N[C@H]2CN(C)Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000534530970 504167878 /nfs/dbraw/zinc/16/78/78/504167878.db2.gz SAUFLYCCKOSNLK-KRWDZBQOSA-N 0 1 355.394 3.288 20 5 FGBDMN CSc1ccccc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000538622136 504307222 /nfs/dbraw/zinc/30/72/22/504307222.db2.gz RYNAEKXXCUGUHV-UHFFFAOYSA-N 0 1 369.406 3.283 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H]2C2CCCCC2)cc1 ZINC000542209981 504407347 /nfs/dbraw/zinc/40/73/47/504407347.db2.gz WBTKKGKDFGGURA-GOSISDBHSA-N 0 1 366.483 3.413 20 5 FGBDMN CCCOc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000520155066 504420900 /nfs/dbraw/zinc/42/09/00/504420900.db2.gz OEFFTUAVSWZHHJ-UHFFFAOYSA-N 0 1 368.386 3.001 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000548455375 504453333 /nfs/dbraw/zinc/45/33/33/504453333.db2.gz NFYVGLGFJPZFSQ-IRXDYDNUSA-N 0 1 360.410 3.445 20 5 FGBDMN 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O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(F)c(Cl)cc2F)c1 ZINC000564862485 505542858 /nfs/dbraw/zinc/54/28/58/505542858.db2.gz OOAKYZLRFSVUIQ-GFCCVEGCSA-N 0 1 372.755 3.056 20 5 FGBDMN CN(CCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000552731936 505545180 /nfs/dbraw/zinc/54/51/80/505545180.db2.gz DYXMRGCUSVILOF-UHFFFAOYSA-N 0 1 365.817 3.435 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCS[C@H](c2ccccc2)C1 ZINC000612077827 506424153 /nfs/dbraw/zinc/42/41/53/506424153.db2.gz PRGYCYMMVXHOBA-LPHOPBHVSA-N 0 1 374.462 3.125 20 5 FGBDMN Cc1cc(OCc2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)ccc1[N+](=O)[O-] ZINC000589136774 506453256 /nfs/dbraw/zinc/45/32/56/506453256.db2.gz HWJOEUDSIHJFQH-AGUYFDCRSA-N 0 1 358.398 3.205 20 5 FGBDMN O=C(CN[C@@H](c1ccccn1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599574621 506506380 /nfs/dbraw/zinc/50/63/80/506506380.db2.gz WONBGLKLGAWJMI-HXUWFJFHSA-N 0 1 366.421 3.010 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624698 506536252 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CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597224655 506846342 /nfs/dbraw/zinc/84/63/42/506846342.db2.gz NMTNLGSDXXPAMV-INIZCTEOSA-N 0 1 372.425 3.043 20 5 FGBDMN CC(=O)N(c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000590525328 506848486 /nfs/dbraw/zinc/84/84/86/506848486.db2.gz WQYIFZYSFOGDOM-UHFFFAOYSA-N 0 1 355.350 3.068 20 5 FGBDMN COc1ccc([C@H]2CCCCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000604510399 506855060 /nfs/dbraw/zinc/85/50/60/506855060.db2.gz LKIPMPRGKCSGTQ-OAHLLOKOSA-N 0 1 358.398 3.392 20 5 FGBDMN COC(=O)c1ccnc(NC[C@@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000590570191 506864838 /nfs/dbraw/zinc/86/48/38/506864838.db2.gz XUJPNEAYKPWWBY-AWEZNQCLSA-N 0 1 374.397 3.009 20 5 FGBDMN COC(=O)c1c(Cl)c(NC[C@@H](c2ccco2)N(C)C)ccc1[N+](=O)[O-] ZINC000590570161 506865131 /nfs/dbraw/zinc/86/51/31/506865131.db2.gz WWGPHQHSBIKBBG-LBPRGKRZSA-N 0 1 367.789 3.343 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)c1[N+](=O)[O-] ZINC000609473602 506891841 /nfs/dbraw/zinc/89/18/41/506891841.db2.gz MWLWKEQQSZVFPN-UHFFFAOYSA-N 0 1 367.409 3.259 20 5 FGBDMN CS(=O)(=O)c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000590779362 506950357 /nfs/dbraw/zinc/95/03/57/506950357.db2.gz AECOTADCITWKTE-SFHVURJKSA-N 0 1 360.435 3.166 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)c1[N+](=O)[O-] ZINC000600431173 506951649 /nfs/dbraw/zinc/95/16/49/506951649.db2.gz SMSSQOLVFOYKQV-ZDUSSCGKSA-N 0 1 360.389 3.428 20 5 FGBDMN CCOCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000600442687 506956138 /nfs/dbraw/zinc/95/61/38/506956138.db2.gz DCAQQGAGLKEGCN-LJQANCHMSA-N 0 1 370.405 3.467 20 5 FGBDMN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000600470701 506963049 /nfs/dbraw/zinc/96/30/49/506963049.db2.gz HUXCRAFIZYZMHV-AWEZNQCLSA-N 0 1 371.224 3.262 20 5 FGBDMN Cc1cccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000609676435 506972362 /nfs/dbraw/zinc/97/23/62/506972362.db2.gz ZEYZWFUHAIYZFP-GFCCVEGCSA-N 0 1 352.387 3.390 20 5 FGBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597604166 507026782 /nfs/dbraw/zinc/02/67/82/507026782.db2.gz GYGJWZWTFZIKTE-IUHNQTRMSA-N 0 1 362.426 3.092 20 5 FGBDMN COc1ccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000600674141 507058427 /nfs/dbraw/zinc/05/84/27/507058427.db2.gz JTGWHPMCCIEJEX-AWEZNQCLSA-N 0 1 374.368 3.430 20 5 FGBDMN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610003963 507069800 /nfs/dbraw/zinc/06/98/00/507069800.db2.gz UUYCMBGDGXDVMJ-CXAGYDPISA-N 0 1 360.385 3.093 20 5 FGBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000610059041 507085135 /nfs/dbraw/zinc/08/51/35/507085135.db2.gz CJXFHEANYXZUCC-OAHLLOKOSA-N 0 1 361.467 3.353 20 5 FGBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1Br ZINC000610062099 507087222 /nfs/dbraw/zinc/08/72/22/507087222.db2.gz MUARGSWMCXSIHW-UHFFFAOYSA-N 0 1 361.155 3.486 20 5 FGBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000610445921 507243086 /nfs/dbraw/zinc/24/30/86/507243086.db2.gz KKRVYWPXJUEGCD-MRXNPFEDSA-N 0 1 353.422 3.331 20 5 FGBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610453782 507247206 /nfs/dbraw/zinc/24/72/06/507247206.db2.gz WHLRJVDYCRKKDR-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000598140869 507275588 /nfs/dbraw/zinc/27/55/88/507275588.db2.gz XWORGHWSCDHGRZ-INIZCTEOSA-N 0 1 374.397 3.028 20 5 FGBDMN C[C@](CO)(NCc1ccc(OCC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601150445 507279364 /nfs/dbraw/zinc/27/93/64/507279364.db2.gz XDPGETJGTLNFHS-GOSISDBHSA-N 0 1 366.364 3.236 20 5 FGBDMN COC[C@@H](C)Oc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000594917534 507314150 /nfs/dbraw/zinc/31/41/50/507314150.db2.gz KLWYOPFWAJADGE-CQSZACIVSA-N 0 1 360.410 3.307 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(CNC(C)=O)cc1 ZINC000595062977 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357.458 3.156 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000611559451 507738713 /nfs/dbraw/zinc/73/87/13/507738713.db2.gz DPPJRRCAJFDNDG-UHFFFAOYSA-N 0 1 374.368 3.261 20 5 FGBDMN CCOC(=O)c1cc(NCCc2ccc3cn[nH]c3c2)ccc1[N+](=O)[O-] ZINC000588048662 507746000 /nfs/dbraw/zinc/74/60/00/507746000.db2.gz HPXDMZZJGWYMNA-UHFFFAOYSA-N 0 1 354.366 3.302 20 5 FGBDMN O=[N+]([O-])c1ccc(Cl)cc1Oc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000738359561 598961942 /nfs/dbraw/zinc/96/19/42/598961942.db2.gz JPNNZKABTPFICI-UHFFFAOYSA-N 0 1 369.728 3.164 20 5 FGBDMN O=C([O-])c1cc([N+](=O)[O-])c(NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000833307499 602254102 /nfs/dbraw/zinc/25/41/02/602254102.db2.gz OXMXFXYTVOOUKT-UHFFFAOYSA-N 0 1 361.785 3.374 20 5 FGBDMN Cc1[nH+]ccn1-c1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000832897364 602315330 /nfs/dbraw/zinc/31/53/30/602315330.db2.gz PYADTDVHGCSIAY-UHFFFAOYSA-N 0 1 367.365 3.103 20 5 FGBDMN O=C([O-])N(CC1CC1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000831825830 604237144 /nfs/dbraw/zinc/23/71/44/604237144.db2.gz FQEGSISROPRVBV-UHFFFAOYSA-N 0 1 351.378 3.088 20 5 FGBDMN O=C([O-])[C@H]1CC12CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000833771757 604650900 /nfs/dbraw/zinc/65/09/00/604650900.db2.gz PBMSXIOBAHKYFH-LLVKDONJSA-N 0 1 369.215 3.044 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)c1 ZINC000823648585 607176942 /nfs/dbraw/zinc/17/69/42/607176942.db2.gz XIQGJJMIWXQKBL-UHFFFAOYSA-N 0 1 368.372 3.079 20 5 FGBDMN O=[N+]([O-])c1ccc(Oc2snc(Cl)c2-c2nn[nH]n2)cc1Cl ZINC000826499300 608180115 /nfs/dbraw/zinc/18/01/15/608180115.db2.gz DDVFDXKWDODTIQ-UHFFFAOYSA-N 0 1 359.154 3.331 20 5 FGBDMN Cc1ccc([C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cc1[N+](=O)[O-] ZINC000826283138 608282985 /nfs/dbraw/zinc/28/29/85/608282985.db2.gz LKSISCUSMLAIBN-LLVKDONJSA-N 0 1 356.361 3.073 20 5 FGBDMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000824529130 609136472 /nfs/dbraw/zinc/13/64/72/609136472.db2.gz 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CN(Cc1ccccc1)C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804533503 724525834 /nfs/dbraw/zinc/52/58/34/724525834.db2.gz ASAMBRWOOYYNDH-UHFFFAOYSA-N 0 1 359.813 3.205 20 5 FGBDMN CS(=O)(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783649761 724774707 /nfs/dbraw/zinc/77/47/07/724774707.db2.gz AFKGIDNDVCHAGQ-UHFFFAOYSA-N 0 1 368.842 3.083 20 5 FGBDMN Cc1nn(CN(CCc2nccs2)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000753983137 722921461 /nfs/dbraw/zinc/92/14/61/722921461.db2.gz GIQGJOMWLHOKHE-UHFFFAOYSA-N 0 1 360.443 3.015 20 5 FGBDMN CCN(CCNc1cc(OC)cc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755038600 722949517 /nfs/dbraw/zinc/94/95/17/722949517.db2.gz ATFIEXBVXRLYJD-UHFFFAOYSA-N 0 1 353.316 3.429 20 5 FGBDMN CCOc1cc(COC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755548515 722954368 /nfs/dbraw/zinc/95/43/68/722954368.db2.gz LAWXEBINZXVYNM-HZSPNIEDSA-N 0 1 350.415 3.298 20 5 FGBDMN COc1cc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000790578185 723155205 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Cc1nc(SCCn2cc([N+](=O)[O-])ccc2=O)[nH]c1-c1ccccc1 ZINC000187131275 496306034 /nfs/dbraw/zinc/30/60/34/496306034.db2.gz RKMFLOVWRMAYOZ-UHFFFAOYSA-N 0 1 356.407 3.247 20 5 FGBDMN CCOc1ccc([C@@H](C)NCc2cccc(C(=O)NC)c2)cc1[N+](=O)[O-] ZINC000153233544 496392223 /nfs/dbraw/zinc/39/22/23/496392223.db2.gz XHUMUAHFFCXCGV-CYBMUJFWSA-N 0 1 357.410 3.204 20 5 FGBDMN Cc1ccc([C@@H](C)NCc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000178298602 496404506 /nfs/dbraw/zinc/40/45/06/496404506.db2.gz CSNZBCVIKNJNOP-CQSZACIVSA-N 0 1 362.451 3.299 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000162974549 496443813 /nfs/dbraw/zinc/44/38/13/496443813.db2.gz LEOMTMHZPMQDPH-OAHLLOKOSA-N 0 1 368.437 3.472 20 5 FGBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000175676189 496496327 /nfs/dbraw/zinc/49/63/27/496496327.db2.gz OZCAKPNVGWXVFU-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000187591442 496502523 /nfs/dbraw/zinc/50/25/23/496502523.db2.gz KHDNMFJCCFXEIL-QGZVFWFLSA-N 0 1 369.421 3.037 20 5 FGBDMN Cc1c([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000157733736 496540967 /nfs/dbraw/zinc/54/09/67/496540967.db2.gz MLBQOQSQOAWEGJ-GDBMZVCRSA-N 0 1 370.453 3.374 20 5 FGBDMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181819747 496557820 /nfs/dbraw/zinc/55/78/20/496557820.db2.gz ZLPKYEBHUMZWTJ-ZDUSSCGKSA-N 0 1 373.409 3.210 20 5 FGBDMN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153730341 496560403 /nfs/dbraw/zinc/56/04/03/496560403.db2.gz OUWZARDPZSRKLC-CQSZACIVSA-N 0 1 357.401 3.025 20 5 FGBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1 ZINC000173224124 496599741 /nfs/dbraw/zinc/59/97/41/496599741.db2.gz KHHXGAMHQABNAY-GFCCVEGCSA-N 0 1 355.803 3.073 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(O)cc1)CC1CC1 ZINC000153934866 496629793 /nfs/dbraw/zinc/62/97/93/496629793.db2.gz FHGJEUJPCWVGBE-UHFFFAOYSA-N 0 1 366.377 3.229 20 5 FGBDMN C[C@H](NCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000164771634 496631945 /nfs/dbraw/zinc/63/19/45/496631945.db2.gz HYMCEXHUQDSCTL-NSHDSACASA-N 0 1 354.453 3.019 20 5 FGBDMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164892350 496638247 /nfs/dbraw/zinc/63/82/47/496638247.db2.gz UMKVDFYQPRJTMK-LBPRGKRZSA-N 0 1 366.377 3.286 20 5 FGBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCc2cn[nH]c21 ZINC000273199067 496737375 /nfs/dbraw/zinc/73/73/75/496737375.db2.gz KUZZXFSAHUZHOL-NSHDSACASA-N 0 1 366.830 3.257 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273201545 496738920 /nfs/dbraw/zinc/73/89/20/496738920.db2.gz IUKUCNBOEMCGCR-CRAIPNDOSA-N 0 1 368.437 3.140 20 5 FGBDMN COC[C@@H](Cc1ccccc1)N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191512728 496793052 /nfs/dbraw/zinc/79/30/52/496793052.db2.gz ATRDIYUCIDQFPK-MRXNPFEDSA-N 0 1 362.401 3.432 20 5 FGBDMN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273593485 496848701 /nfs/dbraw/zinc/84/87/01/496848701.db2.gz UPARBQVIPZAGTH-RHSMWYFYSA-N 0 1 360.341 3.090 20 5 FGBDMN CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247963168 496933464 /nfs/dbraw/zinc/93/34/64/496933464.db2.gz DERSJKGXSNQMMV-LPHOPBHVSA-N 0 1 369.421 3.169 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269380578 496933888 /nfs/dbraw/zinc/93/38/88/496933888.db2.gz JENNILOVZVZQLB-UHFFFAOYSA-N 0 1 371.441 3.182 20 5 FGBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000191963782 496946735 /nfs/dbraw/zinc/94/67/35/496946735.db2.gz DCDVDKZRMHEYKA-UHFFFAOYSA-N 0 1 374.397 3.018 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000277975293 496957455 /nfs/dbraw/zinc/95/74/55/496957455.db2.gz VIYDZPRJBMUPDX-BDAKNGLRSA-N 0 1 351.794 3.371 20 5 FGBDMN C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000198409291 496968622 /nfs/dbraw/zinc/96/86/22/496968622.db2.gz GTSWQMHBIHVEPA-KBPBESRZSA-N 0 1 358.442 3.443 20 5 FGBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000198409278 496968648 /nfs/dbraw/zinc/96/86/48/496968648.db2.gz GTSWQMHBIHVEPA-OKILXGFUSA-N 0 1 358.442 3.443 20 5 FGBDMN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@H+]1C1CC1 ZINC000278241322 497048094 /nfs/dbraw/zinc/04/80/94/497048094.db2.gz VAPUCNBKXRKIOO-UONOGXRCSA-N 0 1 361.445 3.449 20 5 FGBDMN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CN1C1CC1 ZINC000278241322 497048097 /nfs/dbraw/zinc/04/80/97/497048097.db2.gz VAPUCNBKXRKIOO-UONOGXRCSA-N 0 1 361.445 3.449 20 5 FGBDMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192351161 497083189 /nfs/dbraw/zinc/08/31/89/497083189.db2.gz BMDJVCCNBGJGSG-PXAZEXFGSA-N 0 1 355.394 3.295 20 5 FGBDMN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000572080680 505883831 /nfs/dbraw/zinc/88/38/31/505883831.db2.gz JDQSOTVBHRMYIK-QGZVFWFLSA-N 0 1 360.385 3.404 20 5 FGBDMN O=C(CNCc1cccc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000236634488 497124538 /nfs/dbraw/zinc/12/45/38/497124538.db2.gz XUUJVZPFFIURLR-UHFFFAOYSA-N 0 1 364.199 3.086 20 5 FGBDMN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000192709473 497191005 /nfs/dbraw/zinc/19/10/05/497191005.db2.gz YWFOPWIQKHMXJC-CQSZACIVSA-N 0 1 358.446 3.152 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000270993803 497241648 /nfs/dbraw/zinc/24/16/48/497241648.db2.gz FECJLBCHPMRAEE-QMMMGPOBSA-N 0 1 371.319 3.346 20 5 FGBDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000275267196 497269890 /nfs/dbraw/zinc/26/98/90/497269890.db2.gz IPROWBIYJPMLAJ-RDJZCZTQSA-N 0 1 364.833 3.218 20 5 FGBDMN Cc1cccc(NC(=O)C[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000574994423 505900872 /nfs/dbraw/zinc/90/08/72/505900872.db2.gz BPWHRWIPGPLKAX-CYBMUJFWSA-N 0 1 367.409 3.286 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)n2)cc1 ZINC000279239376 497378531 /nfs/dbraw/zinc/37/85/31/497378531.db2.gz JWPBEMUUTPQANO-DJIMGWMZSA-N 0 1 370.409 3.082 20 5 FGBDMN CCOc1cc(C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000575003335 505903037 /nfs/dbraw/zinc/90/30/37/505903037.db2.gz LCBQSGHXBHGINU-UHFFFAOYSA-N 0 1 356.378 3.250 20 5 FGBDMN CCOc1cc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000575003335 505903040 /nfs/dbraw/zinc/90/30/40/505903040.db2.gz LCBQSGHXBHGINU-UHFFFAOYSA-N 0 1 356.378 3.250 20 5 FGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193582823 497419702 /nfs/dbraw/zinc/41/97/02/497419702.db2.gz LOPZBVDTNDZQBS-JSGCOSHPSA-N 0 1 368.397 3.309 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000267006385 497467081 /nfs/dbraw/zinc/46/70/81/497467081.db2.gz FXQPMTMFVCSGSK-CQSZACIVSA-N 0 1 355.373 3.156 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000190704372 497577847 /nfs/dbraw/zinc/57/78/47/497577847.db2.gz OUNASJZZRRTFNH-SNVBAGLBSA-N 0 1 362.352 3.321 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000190704357 497578318 /nfs/dbraw/zinc/57/83/18/497578318.db2.gz OUNASJZZRRTFNH-JTQLQIEISA-N 0 1 362.352 3.321 20 5 FGBDMN C[C@H](CCO)C1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000272540260 497655136 /nfs/dbraw/zinc/65/51/36/497655136.db2.gz OXJFZYONDNIPND-CRAIPNDOSA-N 0 1 372.469 3.196 20 5 FGBDMN O=C1CCCN1[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000276817777 497662368 /nfs/dbraw/zinc/66/23/68/497662368.db2.gz OWEJXKIEUARFRD-MRXNPFEDSA-N 0 1 355.394 3.052 20 5 FGBDMN O=[N+]([O-])c1cc(CN2CC[C@H](COc3ccccc3)C2)c2c(c1)COCO2 ZINC000272623144 497681924 /nfs/dbraw/zinc/68/19/24/497681924.db2.gz VDJRUCGOECFSFE-HNNXBMFYSA-N 0 1 370.405 3.362 20 5 FGBDMN CS[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246570415 497777998 /nfs/dbraw/zinc/77/79/98/497777998.db2.gz LHDJHCWYMJEZNQ-UONOGXRCSA-N 0 1 351.472 3.448 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364225555 497848305 /nfs/dbraw/zinc/84/83/05/497848305.db2.gz ZXZRXJRYDXZQGN-LPHOPBHVSA-N 0 1 368.437 3.063 20 5 FGBDMN CC(=O)c1cccc(OC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292118026 497884956 /nfs/dbraw/zinc/88/49/56/497884956.db2.gz JVPOZISVULEMHH-MRXNPFEDSA-N 0 1 372.421 3.062 20 5 FGBDMN O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1 ZINC000364344624 497911518 /nfs/dbraw/zinc/91/15/18/497911518.db2.gz YVULNURMYPLOBM-MRXNPFEDSA-N 0 1 370.388 3.158 20 5 FGBDMN C[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000280979603 497973226 /nfs/dbraw/zinc/97/32/26/497973226.db2.gz LCZBYIIXVPNXGM-GDBMZVCRSA-N 0 1 369.421 3.083 20 5 FGBDMN CCN1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000301208192 498001476 /nfs/dbraw/zinc/00/14/76/498001476.db2.gz RUABARNTGLNJSN-UHFFFAOYSA-N 0 1 353.422 3.358 20 5 FGBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000292587544 498070262 /nfs/dbraw/zinc/07/02/62/498070262.db2.gz GXMPHEXAGGIMBH-AWEZNQCLSA-N 0 1 361.377 3.343 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000289637517 498227437 /nfs/dbraw/zinc/22/74/37/498227437.db2.gz KWTYYKZVTORSDD-QMMMGPOBSA-N 0 1 352.782 3.372 20 5 FGBDMN CN1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301817886 498277644 /nfs/dbraw/zinc/27/76/44/498277644.db2.gz FJEKJEBVWMXRLL-STQMWFEESA-N 0 1 361.402 3.300 20 5 FGBDMN CN(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000301836591 498286395 /nfs/dbraw/zinc/28/63/95/498286395.db2.gz MBLYQPUENZLJGV-JTQLQIEISA-N 0 1 355.192 3.060 20 5 FGBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293330116 498349384 /nfs/dbraw/zinc/34/93/84/498349384.db2.gz ABAYEAFJOBHKMY-UHFFFAOYSA-N 0 1 355.276 3.252 20 5 FGBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293330116 498349388 /nfs/dbraw/zinc/34/93/88/498349388.db2.gz 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0 1 370.409 3.051 20 5 FGBDMN COc1ccc(OCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000561346407 505321116 /nfs/dbraw/zinc/32/11/16/505321116.db2.gz CEOBWAPZJHINGS-WMLDXEAASA-N 0 1 357.410 3.460 20 5 FGBDMN COc1ccc(OCCN2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000561346407 505321118 /nfs/dbraw/zinc/32/11/18/505321118.db2.gz CEOBWAPZJHINGS-WMLDXEAASA-N 0 1 357.410 3.460 20 5 FGBDMN COc1cc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567180217 505386768 /nfs/dbraw/zinc/38/67/68/505386768.db2.gz CMUMZLLSBFYUNN-NVXWUHKLSA-N 0 1 362.426 3.459 20 5 FGBDMN C[C@@H](C(=O)NC[C@H](C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000558689936 505464383 /nfs/dbraw/zinc/46/43/83/505464383.db2.gz SXTMLSHTEUHTGM-JKSUJKDBSA-N 0 1 367.449 3.261 20 5 FGBDMN COc1cc(CN=c2[nH]c3cc(F)c(F)cc3s2)c([N+](=O)[O-])cc1O ZINC000561982922 505485003 /nfs/dbraw/zinc/48/50/03/505485003.db2.gz TXXCLWPOBHXTQI-UHFFFAOYSA-N 0 1 367.333 3.231 20 5 FGBDMN 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OVDKHIIIPIKASA-GXSJLCMTSA-N 0 1 370.814 3.443 20 5 FGBDMN O=C(NC[C@H](c1ccccc1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590469542 506833807 /nfs/dbraw/zinc/83/38/07/506833807.db2.gz BPVRGYKUYNQZPX-MRXNPFEDSA-N 0 1 350.378 3.395 20 5 FGBDMN COc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000597226688 506846035 /nfs/dbraw/zinc/84/60/35/506846035.db2.gz VYYYWNWTNIRVIV-WMLDXEAASA-N 0 1 364.442 3.393 20 5 FGBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC([C@@H]3CCCCO3)CC1)OCCO2 ZINC000597225250 506846553 /nfs/dbraw/zinc/84/65/53/506846553.db2.gz QRGGRPMPZRUMJZ-KRWDZBQOSA-N 0 1 362.426 3.147 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000609631609 506953905 /nfs/dbraw/zinc/95/39/05/506953905.db2.gz GDZXTOGMNINWSO-YSVLISHTSA-N 0 1 361.442 3.443 20 5 FGBDMN CCC(C)(C)N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000594390441 507109098 /nfs/dbraw/zinc/10/90/98/507109098.db2.gz WQAVZCVGBFCMGY-UHFFFAOYSA-N 0 1 360.458 3.116 20 5 FGBDMN 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ZINC000610453781 507247354 /nfs/dbraw/zinc/24/73/54/507247354.db2.gz WHLRJVDYCRKKDR-HNNXBMFYSA-N 0 1 369.421 3.037 20 5 FGBDMN C[C@](CO)(NCc1ccc(OCC2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601148914 507277490 /nfs/dbraw/zinc/27/74/90/507277490.db2.gz HKUWJOJUHXVHPP-HXUWFJFHSA-N 0 1 356.422 3.381 20 5 FGBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000610539369 507281503 /nfs/dbraw/zinc/28/15/03/507281503.db2.gz MBICMHMTDOARPW-BLLLJJGKSA-N 0 1 359.430 3.013 20 5 FGBDMN COCCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595008143 507351704 /nfs/dbraw/zinc/35/17/04/507351704.db2.gz BCYPZIYXCOTRCT-AWEZNQCLSA-N 0 1 360.410 3.479 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000595046123 507366261 /nfs/dbraw/zinc/36/62/61/507366261.db2.gz IVTNPWFLCLBCSL-LRDDRELGSA-N 0 1 357.410 3.030 20 5 FGBDMN COCc1nnc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)[n-]1 ZINC000595069869 507378078 /nfs/dbraw/zinc/37/80/78/507378078.db2.gz 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0 1 370.409 3.006 20 5 FGBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000071040300 494081559 /nfs/dbraw/zinc/08/15/59/494081559.db2.gz HWFDDZXPONELPJ-UHFFFAOYSA-N 0 1 364.365 3.002 20 5 FGBDMN CCCCNC(=O)C1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000085906471 494140330 /nfs/dbraw/zinc/14/03/30/494140330.db2.gz KRMVQSFCTFRUMR-UHFFFAOYSA-N 0 1 363.458 3.312 20 5 FGBDMN CNC(=O)c1ccc(Sc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000053556595 494147595 /nfs/dbraw/zinc/14/75/95/494147595.db2.gz HNRAWKDEIXLVQD-UHFFFAOYSA-N 0 1 373.369 3.030 20 5 FGBDMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000086336155 494148430 /nfs/dbraw/zinc/14/84/30/494148430.db2.gz UWPHCOFWUFPKJB-LBPRGKRZSA-N 0 1 366.377 3.286 20 5 FGBDMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000010707801 494159623 /nfs/dbraw/zinc/15/96/23/494159623.db2.gz SEVXKQVOQSMPNK-UHFFFAOYSA-N 0 1 353.422 3.251 20 5 FGBDMN Cc1ccccc1CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208829 494179096 /nfs/dbraw/zinc/17/90/96/494179096.db2.gz PNLXAKWVGDQMPN-UHFFFAOYSA-N 0 1 355.438 3.100 20 5 FGBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000580215145 505705827 /nfs/dbraw/zinc/70/58/27/505705827.db2.gz PRRAYCSPDZBIHU-GFCCVEGCSA-N 0 1 372.425 3.330 20 5 FGBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000072537612 494195804 /nfs/dbraw/zinc/19/58/04/494195804.db2.gz GSMAPNRVUVHCPI-KRWDZBQOSA-N 0 1 358.398 3.028 20 5 FGBDMN Cc1cc(NC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000054368612 494226302 /nfs/dbraw/zinc/22/63/02/494226302.db2.gz IQJWEHMRWJKOKE-CYBMUJFWSA-N 0 1 358.398 3.303 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000043126989 494266584 /nfs/dbraw/zinc/26/65/84/494266584.db2.gz GZTPOHRXICVWGG-OAHLLOKOSA-N 0 1 374.397 3.155 20 5 FGBDMN CCOC[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976611 494297236 /nfs/dbraw/zinc/29/72/36/494297236.db2.gz WICULKYBUKGXAX-KBPBESRZSA-N 0 1 360.414 3.454 20 5 FGBDMN O=C(NCCCc1c[nH]c2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078563686 494320586 /nfs/dbraw/zinc/32/05/86/494320586.db2.gz NMDPNPPABRCZRV-UHFFFAOYSA-N 0 1 363.377 3.315 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000066854666 494427826 /nfs/dbraw/zinc/42/78/26/494427826.db2.gz HKOGOLCOBWZAAH-AWEZNQCLSA-N 0 1 357.410 3.277 20 5 FGBDMN CC(C)Oc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000045431740 494428307 /nfs/dbraw/zinc/42/83/07/494428307.db2.gz QTRDKHUGPSLUGF-UHFFFAOYSA-N 0 1 354.366 3.188 20 5 FGBDMN Cc1cccc(OCCNC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196484 494469498 /nfs/dbraw/zinc/46/94/98/494469498.db2.gz WETFZSWMZARUPF-HZPDHXFCSA-N 0 1 371.437 3.138 20 5 FGBDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090590052 494485303 /nfs/dbraw/zinc/48/53/03/494485303.db2.gz BNPFJXBCIJYRRE-CYBMUJFWSA-N 0 1 364.471 3.338 20 5 FGBDMN CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599055 494539995 /nfs/dbraw/zinc/53/99/95/494539995.db2.gz LRZQIWCBSCTQSC-UHFFFAOYSA-N 0 1 367.405 3.103 20 5 FGBDMN COc1cc(CN(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000107691375 494586625 /nfs/dbraw/zinc/58/66/25/494586625.db2.gz ADFKVTINXZXSAC-NSHDSACASA-N 0 1 360.357 3.063 20 5 FGBDMN Cc1ccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000115745300 494608039 /nfs/dbraw/zinc/60/80/39/494608039.db2.gz WRUBGCSEIPHLGN-UHFFFAOYSA-N 0 1 360.389 3.426 20 5 FGBDMN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000121172813 494631772 /nfs/dbraw/zinc/63/17/72/494631772.db2.gz LYQQRGBIOSCPRS-UHFFFAOYSA-N 0 1 354.288 3.146 20 5 FGBDMN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000047260994 494665300 /nfs/dbraw/zinc/66/53/00/494665300.db2.gz BAKVDDABRWXGGV-INIZCTEOSA-N 0 1 354.410 3.149 20 5 FGBDMN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 ZINC000080347169 494680248 /nfs/dbraw/zinc/68/02/48/494680248.db2.gz OPTVUGXEGUJKHQ-UHFFFAOYSA-N 0 1 358.394 3.400 20 5 FGBDMN Cc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000091949266 494729175 /nfs/dbraw/zinc/72/91/75/494729175.db2.gz LZGRCQMLQIWOSG-OAHLLOKOSA-N 0 1 359.470 3.374 20 5 FGBDMN Cn1c2ccccc2cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1=O ZINC000568644496 505744338 /nfs/dbraw/zinc/74/43/38/505744338.db2.gz KONRFYYKFLQZSR-UHFFFAOYSA-N 0 1 351.406 3.472 20 5 FGBDMN Cc1ccc(OCCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000026595083 494832952 /nfs/dbraw/zinc/83/29/52/494832952.db2.gz CUSDYPPLTMOGRR-UHFFFAOYSA-N 0 1 370.453 3.198 20 5 FGBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2ccccc21 ZINC000026816577 494839333 /nfs/dbraw/zinc/83/93/33/494839333.db2.gz KWQYVQBQAJBZNX-IBGZPJMESA-N 0 1 365.433 3.493 20 5 FGBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000119376971 495153968 /nfs/dbraw/zinc/15/39/68/495153968.db2.gz VESOUUGYSALVBO-LBPRGKRZSA-N 0 1 356.304 3.464 20 5 FGBDMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000119424296 495164297 /nfs/dbraw/zinc/16/42/97/495164297.db2.gz VUNINVIHOGNKDN-BEFAXECRSA-N 0 1 369.469 3.430 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000129317239 495227754 /nfs/dbraw/zinc/22/77/54/495227754.db2.gz BYRQTURQQVNSGC-WCQYABFASA-N 0 1 360.389 3.428 20 5 FGBDMN CN(C(=O)CN1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124138835 495240754 /nfs/dbraw/zinc/24/07/54/495240754.db2.gz JBJDNKGDMDOLLI-QGZVFWFLSA-N 0 1 353.422 3.122 20 5 FGBDMN NC(=O)c1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104704542 495299171 /nfs/dbraw/zinc/29/91/71/495299171.db2.gz XVZDPHGRBDZOOW-SFHVURJKSA-N 0 1 357.385 3.464 20 5 FGBDMN Cc1cc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000574501880 505787102 /nfs/dbraw/zinc/78/71/02/505787102.db2.gz BTIKTJWKURQIJW-UHFFFAOYSA-N 0 1 373.375 3.223 20 5 FGBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CN1CCOCC1 ZINC000182359610 495532476 /nfs/dbraw/zinc/53/24/76/495532476.db2.gz NSSXLCLKWRAHQT-UHFFFAOYSA-N 0 1 355.866 3.038 20 5 FGBDMN O=C(Nc1cccc(Cl)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179300056 495533286 /nfs/dbraw/zinc/53/32/86/495533286.db2.gz JRMPCEJYFIHFJY-UHFFFAOYSA-N 0 1 358.741 3.392 20 5 FGBDMN CC(C)CCSc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000176209611 495546845 /nfs/dbraw/zinc/54/68/45/495546845.db2.gz TUBPADLWGAQZCC-LLVKDONJSA-N 0 1 363.443 3.342 20 5 FGBDMN CNC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179336027 495547531 /nfs/dbraw/zinc/54/75/31/495547531.db2.gz HPDKOSIRTBAAOP-INIZCTEOSA-N 0 1 359.451 3.424 20 5 FGBDMN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000182431229 495561477 /nfs/dbraw/zinc/56/14/77/495561477.db2.gz YCSVQUMOVBDWLD-XJKSGUPXSA-N 0 1 366.364 3.354 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)o1 ZINC000185422377 495571247 /nfs/dbraw/zinc/57/12/47/495571247.db2.gz SPOWHPDIXKLZSQ-VIFPVBQESA-N 0 1 359.317 3.163 20 5 FGBDMN COc1ccccc1[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000150823369 495646017 /nfs/dbraw/zinc/64/60/17/495646017.db2.gz SHBCJYFOMKPARQ-LBPRGKRZSA-N 0 1 366.377 3.109 20 5 FGBDMN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171009503 495687987 /nfs/dbraw/zinc/68/79/87/495687987.db2.gz RBDKOVGJVZCFDM-IAGOWNOFSA-N 0 1 366.377 3.121 20 5 FGBDMN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000171013474 495688520 /nfs/dbraw/zinc/68/85/20/495688520.db2.gz VHVRESICIRABBT-GFCCVEGCSA-N 0 1 350.396 3.411 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000171014050 495690379 /nfs/dbraw/zinc/69/03/79/495690379.db2.gz CXNDINMNDAEWOZ-UHFFFAOYSA-N 0 1 374.378 3.008 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000159303922 495705566 /nfs/dbraw/zinc/70/55/66/495705566.db2.gz HWSRFHZATHYQTE-HZPDHXFCSA-N 0 1 355.438 3.301 20 5 FGBDMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH]c2c1 ZINC000179770138 495727861 /nfs/dbraw/zinc/72/78/61/495727861.db2.gz WXWPIPAPQMASMI-UHFFFAOYSA-N 0 1 361.361 3.258 20 5 FGBDMN COCCOc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000171128080 495735020 /nfs/dbraw/zinc/73/50/20/495735020.db2.gz IMVYHEWFPXKWPV-AWEZNQCLSA-N 0 1 360.410 3.479 20 5 FGBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000183030029 495806284 /nfs/dbraw/zinc/80/62/84/495806284.db2.gz VEFMIBVQSUVQIA-SJKOYZFVSA-N 0 1 363.439 3.044 20 5 FGBDMN COc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1OC ZINC000574582849 505807314 /nfs/dbraw/zinc/80/73/14/505807314.db2.gz AKZPVNUBFJBMTH-OAHLLOKOSA-N 0 1 358.394 3.398 20 5 FGBDMN O=c1cc(CN2CCC[C@H](n3cncn3)C2)c2c(ccc3ccccc32)o1 ZINC000171528932 495916244 /nfs/dbraw/zinc/91/62/44/495916244.db2.gz VMXXGVNDLFHSAS-KRWDZBQOSA-N 0 1 360.417 3.375 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000183309895 495925452 /nfs/dbraw/zinc/92/54/52/495925452.db2.gz RVLUTFMYIUTFHI-QGZVFWFLSA-N 0 1 372.400 3.438 20 5 FGBDMN C[C@H](NCC(=O)N1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180414764 495987407 /nfs/dbraw/zinc/98/74/07/495987407.db2.gz NLZVLGUGRJQFPA-ZDUSSCGKSA-N 0 1 357.435 3.384 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](c4ccncc4)C3)n2)cc1 ZINC000568962856 505819386 /nfs/dbraw/zinc/81/93/86/505819386.db2.gz MFLXEZSHHSBDOR-OAHLLOKOSA-N 0 1 351.366 3.029 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155954972 496117264 /nfs/dbraw/zinc/11/72/64/496117264.db2.gz SIXBMGQEWXRBBX-IBGZPJMESA-N 0 1 356.422 3.377 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000156150851 496172062 /nfs/dbraw/zinc/17/20/62/496172062.db2.gz HRHFSJFBSJFIJF-CYBMUJFWSA-N 0 1 364.427 3.089 20 5 FGBDMN COCc1ccccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175001723 496202072 /nfs/dbraw/zinc/20/20/72/496202072.db2.gz PSZIJCLLVDGAIS-UHFFFAOYSA-N 0 1 350.396 3.159 20 5 FGBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000172245906 496226388 /nfs/dbraw/zinc/22/63/88/496226388.db2.gz IPLQRUOSCWVNOC-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162134603 496301994 /nfs/dbraw/zinc/30/19/94/496301994.db2.gz LTFVFCRADBISQE-CYBMUJFWSA-N 0 1 356.407 3.402 20 5 FGBDMN COc1cc(CNc2nc3cccc(Cl)c3n2C)cc([N+](=O)[O-])c1O ZINC000184311615 496330406 /nfs/dbraw/zinc/33/04/06/496330406.db2.gz GTHPPAHUSXEUGJ-UHFFFAOYSA-N 0 1 362.773 3.461 20 5 FGBDMN CCOc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153059035 496339680 /nfs/dbraw/zinc/33/96/80/496339680.db2.gz RSQTWJCMKZAMCK-OAHLLOKOSA-N 0 1 371.437 3.303 20 5 FGBDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413853 496380505 /nfs/dbraw/zinc/38/05/05/496380505.db2.gz FAQQFVJWVWCSHL-SXBQZSJRSA-N 0 1 362.451 3.404 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](CCO)C3CCCCC3)o2)cc1 ZINC000181508325 496424424 /nfs/dbraw/zinc/42/44/24/496424424.db2.gz CQAJXXGKXZYKQP-INIZCTEOSA-N 0 1 360.414 3.066 20 5 FGBDMN Cc1c(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000580813672 505843932 /nfs/dbraw/zinc/84/39/32/505843932.db2.gz KEXQOCMJNXOPPI-LAUBAEHRSA-N 0 1 370.449 3.445 20 5 FGBDMN Cc1c(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000580813670 505844048 /nfs/dbraw/zinc/84/40/48/505844048.db2.gz KEXQOCMJNXOPPI-DYESRHJHSA-N 0 1 370.449 3.445 20 5 FGBDMN Cc1cc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc([N+](=O)[O-])c1 ZINC000172983415 496509914 /nfs/dbraw/zinc/50/99/14/496509914.db2.gz RGLQJNARONVBDR-UHFFFAOYSA-N 0 1 354.366 3.075 20 5 FGBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000184753324 496518747 /nfs/dbraw/zinc/51/87/47/496518747.db2.gz ZQWOZAJYRYETDU-LBPRGKRZSA-N 0 1 355.354 3.180 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000178690155 496541515 /nfs/dbraw/zinc/54/15/15/496541515.db2.gz BSACHFUINQQCQU-KBPBESRZSA-N 0 1 359.401 3.398 20 5 FGBDMN CC[C@H](C)[C@@H](C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181787094 496543839 /nfs/dbraw/zinc/54/38/39/496543839.db2.gz HXTJKQUGGACDRZ-UONOGXRCSA-N 0 1 354.472 3.268 20 5 FGBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000163700990 496548103 /nfs/dbraw/zinc/54/81/03/496548103.db2.gz GSJVPRSNHYQAIP-UHFFFAOYSA-N 0 1 371.784 3.006 20 5 FGBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000181808285 496553748 /nfs/dbraw/zinc/55/37/48/496553748.db2.gz IBURJBCISUXNMS-CYBMUJFWSA-N 0 1 373.409 3.210 20 5 FGBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000181808607 496553859 /nfs/dbraw/zinc/55/38/59/496553859.db2.gz ODFDPXZAOKEYLN-RHSMWYFYSA-N 0 1 369.421 3.194 20 5 FGBDMN COc1cccc(-c2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]n2)c1 ZINC000164563405 496619129 /nfs/dbraw/zinc/61/91/29/496619129.db2.gz QAZFEJKFNRULTP-UHFFFAOYSA-N 0 1 364.361 3.196 20 5 FGBDMN CC[C@](C)(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000173377304 496664859 /nfs/dbraw/zinc/66/48/59/496664859.db2.gz ICSPCUNUKAJCLQ-AWEZNQCLSA-N 0 1 373.431 3.103 20 5 FGBDMN Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000173406501 496678296 /nfs/dbraw/zinc/67/82/96/496678296.db2.gz GRTATWWLEDZDKL-KRWDZBQOSA-N 0 1 357.410 3.372 20 5 FGBDMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173420001 496685238 /nfs/dbraw/zinc/68/52/38/496685238.db2.gz ZOGMRGOUWHDCDW-AUUYWEPGSA-N 0 1 369.421 3.055 20 5 FGBDMN CCc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182175956 496698238 /nfs/dbraw/zinc/69/82/38/496698238.db2.gz LGHUHJKODYCOSY-CQSZACIVSA-N 0 1 362.451 3.282 20 5 FGBDMN CCc1n[nH]c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000188480963 496804253 /nfs/dbraw/zinc/80/42/53/496804253.db2.gz UGIUDNLIXUHXPG-AWEZNQCLSA-N 0 1 368.397 3.042 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1[N+](=O)[O-] ZINC000188480963 496804259 /nfs/dbraw/zinc/80/42/59/496804259.db2.gz UGIUDNLIXUHXPG-AWEZNQCLSA-N 0 1 368.397 3.042 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000188480963 496804263 /nfs/dbraw/zinc/80/42/63/496804263.db2.gz UGIUDNLIXUHXPG-AWEZNQCLSA-N 0 1 368.397 3.042 20 5 FGBDMN CCCCc1nc2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2[nH]1 ZINC000191572997 496817597 /nfs/dbraw/zinc/81/75/97/496817597.db2.gz NDWBFIYXDNWHMN-UHFFFAOYSA-N 0 1 356.386 3.282 20 5 FGBDMN COc1cc(C(=O)N2CCN(C)CC23CCCCC3)cc([N+](=O)[O-])c1C ZINC000188526192 496820107 /nfs/dbraw/zinc/82/01/07/496820107.db2.gz SYBKQKXXMMQPEB-UHFFFAOYSA-N 0 1 361.442 3.002 20 5 FGBDMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247352315 496843431 /nfs/dbraw/zinc/84/34/31/496843431.db2.gz JUKBGZSIJONDEC-SPYVTISKSA-N 0 1 351.834 3.060 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277752376 496874716 /nfs/dbraw/zinc/87/47/16/496874716.db2.gz HSAWRNGSHQDVAA-VXGBXAGGSA-N 0 1 359.430 3.381 20 5 FGBDMN Cc1ccc(CN2CC[C@H](NCc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000191798302 496892795 /nfs/dbraw/zinc/89/27/95/496892795.db2.gz MIOYKLIHZKAAGD-SFHVURJKSA-N 0 1 353.422 3.102 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000191805549 496895929 /nfs/dbraw/zinc/89/59/29/496895929.db2.gz DEBXVMYZSRYOTC-FHHGHWCOSA-N 0 1 365.433 3.307 20 5 FGBDMN CN(CCOc1cccc(Cl)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247959677 496933185 /nfs/dbraw/zinc/93/31/85/496933185.db2.gz FAGWDDGGQASFSQ-UHFFFAOYSA-N 0 1 374.784 3.276 20 5 FGBDMN C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000247977907 496937597 /nfs/dbraw/zinc/93/75/97/496937597.db2.gz GUUBBWYWKZGAHL-UYAOXDASSA-N 0 1 353.422 3.089 20 5 FGBDMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000195694085 496960655 /nfs/dbraw/zinc/96/06/55/496960655.db2.gz LNMZTYOCUIWZCI-SFHVURJKSA-N 0 1 353.422 3.298 20 5 FGBDMN C[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189038416 496987209 /nfs/dbraw/zinc/98/72/09/496987209.db2.gz MREVJXRILKVDKJ-FZKQIMNGSA-N 0 1 357.385 3.186 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000248438108 497011638 /nfs/dbraw/zinc/01/16/38/497011638.db2.gz BQLOGUJYFPDERG-AEFFLSMTSA-N 0 1 374.462 3.125 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000248438108 497011641 /nfs/dbraw/zinc/01/16/41/497011641.db2.gz BQLOGUJYFPDERG-AEFFLSMTSA-N 0 1 374.462 3.125 20 5 FGBDMN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000572080673 505883537 /nfs/dbraw/zinc/88/35/37/505883537.db2.gz JDQSOTVBHRMYIK-KRWDZBQOSA-N 0 1 360.385 3.404 20 5 FGBDMN O=C(C[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccs1 ZINC000274761370 497159878 /nfs/dbraw/zinc/15/98/78/497159878.db2.gz IROWJOUDTRXRFI-GFCCVEGCSA-N 0 1 360.391 3.240 20 5 FGBDMN CCc1nc([C@@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000270729586 497190772 /nfs/dbraw/zinc/19/07/72/497190772.db2.gz QUFYYWLUIQMIMC-SNVBAGLBSA-N 0 1 358.427 3.250 20 5 FGBDMN CC[C@@]1(CO)CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249543694 497219809 /nfs/dbraw/zinc/21/98/09/497219809.db2.gz FRCVWCLYFZSFLR-FZKQIMNGSA-N 0 1 360.414 3.190 20 5 FGBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1CC(F)(F)F ZINC000193036109 497282633 /nfs/dbraw/zinc/28/26/33/497282633.db2.gz DMANOCPEGKIJBL-CABCVRRESA-N 0 1 371.359 3.115 20 5 FGBDMN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000275436167 497325331 /nfs/dbraw/zinc/32/53/31/497325331.db2.gz FORMFMROEKTHJE-WMZOPIPTSA-N 0 1 368.393 3.208 20 5 FGBDMN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193642325 497434998 /nfs/dbraw/zinc/43/49/98/497434998.db2.gz PABRBLNWWSCGCS-HNNXBMFYSA-N 0 1 374.466 3.178 20 5 FGBDMN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C2CC2)O1 ZINC000279424271 497436202 /nfs/dbraw/zinc/43/62/02/497436202.db2.gz XGCGWEZJMYKGLX-ACJLOTCBSA-N 0 1 357.410 3.292 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000245528150 497440759 /nfs/dbraw/zinc/44/07/59/497440759.db2.gz BHTVOPOJEGZVMT-IVMMDQJWSA-N 0 1 360.414 3.189 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261824931 497457542 /nfs/dbraw/zinc/45/75/42/497457542.db2.gz PRZWWZFBCPBXDH-QGZVFWFLSA-N 0 1 359.813 3.343 20 5 FGBDMN Cc1nc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000190425441 497474666 /nfs/dbraw/zinc/47/46/66/497474666.db2.gz XJYBAXJZFUCSRF-UHFFFAOYSA-N 0 1 359.766 3.033 20 5 FGBDMN COc1cc(CN2CCC(C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272329721 497597743 /nfs/dbraw/zinc/59/77/43/497597743.db2.gz DFIXAPUMVLKWGV-UHFFFAOYSA-N 0 1 374.384 3.248 20 5 FGBDMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272467052 497636964 /nfs/dbraw/zinc/63/69/64/497636964.db2.gz DBROJJGJUJVFMS-UHFFFAOYSA-N 0 1 371.393 3.018 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)Nc2ccc3c(c2)CN(C)C3)cccc1[N+](=O)[O-] ZINC000194512765 497691567 /nfs/dbraw/zinc/69/15/67/497691567.db2.gz SNUQUUFANHILQF-ZDUSSCGKSA-N 0 1 354.410 3.288 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000272686235 497701496 /nfs/dbraw/zinc/70/14/96/497701496.db2.gz PCXHMLOHUQNFKP-MAUKXSAKSA-N 0 1 374.368 3.168 20 5 FGBDMN COc1cc(CN2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246711507 497803012 /nfs/dbraw/zinc/80/30/12/497803012.db2.gz NTOCASWJIQVSSU-SMDDNHRTSA-N 0 1 372.368 3.206 20 5 FGBDMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246797748 497811820 /nfs/dbraw/zinc/81/18/20/497811820.db2.gz VFAFINVLTWRWDY-GXFFZTMASA-N 0 1 373.240 3.152 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246852004 497816678 /nfs/dbraw/zinc/81/66/78/497816678.db2.gz KTVHVAAUZVLLKA-MUKKUYKPSA-N 0 1 372.425 3.333 20 5 FGBDMN COC(=O)c1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)oc1C ZINC000578572351 505970459 /nfs/dbraw/zinc/97/04/59/505970459.db2.gz HYSJZSGVNNVWIT-UHFFFAOYSA-N 0 1 355.350 3.173 20 5 FGBDMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285536 498037982 /nfs/dbraw/zinc/03/79/82/498037982.db2.gz QMLDIBJZGPCWNY-BLLLJJGKSA-N 0 1 361.833 3.361 20 5 FGBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400764 498095052 /nfs/dbraw/zinc/09/50/52/498095052.db2.gz RDUSHPZMCCDCCN-MAUKXSAKSA-N 0 1 369.381 3.052 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](Cc4ccncc4)C3)o2)cc1 ZINC000364701895 498100144 /nfs/dbraw/zinc/10/01/44/498100144.db2.gz DQTFVAZSXLEKNT-OAHLLOKOSA-N 0 1 365.393 3.104 20 5 FGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281547511 498189878 /nfs/dbraw/zinc/18/98/78/498189878.db2.gz KUQPRKPPHKJIRK-UHFFFAOYSA-N 0 1 354.313 3.280 20 5 FGBDMN CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CCN(Cc2ccncc2)CC1 ZINC000364910599 498205679 /nfs/dbraw/zinc/20/56/79/498205679.db2.gz RLJYAICCQLUPKL-UHFFFAOYSA-N 0 1 361.833 3.139 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)OCCCO2 ZINC000293003407 498230772 /nfs/dbraw/zinc/23/07/72/498230772.db2.gz NGWWTNGVZJDRSQ-UHFFFAOYSA-N 0 1 350.415 3.111 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000301742830 498248802 /nfs/dbraw/zinc/24/88/02/498248802.db2.gz YWSSXXXFKIPAMF-HNAYVOBHSA-N 0 1 359.401 3.029 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000331134011 498258089 /nfs/dbraw/zinc/25/80/89/498258089.db2.gz UGZMLENDCPUMBL-VIFPVBQESA-N 0 1 362.352 3.492 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293482625 498399001 /nfs/dbraw/zinc/39/90/01/498399001.db2.gz VTAGTOLZKQFXSG-GFCCVEGCSA-N 0 1 354.288 3.144 20 5 FGBDMN CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000293480477 498399288 /nfs/dbraw/zinc/39/92/88/498399288.db2.gz UUTMFRHLWCMRJN-UHFFFAOYSA-N 0 1 368.315 3.323 20 5 FGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCC(F)(F)C1 ZINC000282322803 498466833 /nfs/dbraw/zinc/46/68/33/498466833.db2.gz WBHNOBZVKHTPLL-SNVBAGLBSA-N 0 1 351.313 3.144 20 5 FGBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@H]1c1nnc[nH]1 ZINC000294893691 498841219 /nfs/dbraw/zinc/84/12/19/498841219.db2.gz GLOHNUSUJKVABA-NSHDSACASA-N 0 1 352.192 3.207 20 5 FGBDMN CC(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000326583775 498845481 /nfs/dbraw/zinc/84/54/81/498845481.db2.gz AQMKJURVZKAXSW-OAHLLOKOSA-N 0 1 352.387 3.410 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc2ccccc21 ZINC000327683101 498861942 /nfs/dbraw/zinc/86/19/42/498861942.db2.gz FFIWPJHUQOFGCL-UHFFFAOYSA-N 0 1 360.366 3.366 20 5 FGBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000283494204 498903520 /nfs/dbraw/zinc/90/35/20/498903520.db2.gz JWFPMMXCJDFYBW-ISBHARSQSA-N 0 1 354.410 3.436 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCSC[C@@H]2c2cccs2)c1 ZINC000366649746 499018617 /nfs/dbraw/zinc/01/86/17/499018617.db2.gz DAPUSSDAZBXSJJ-HUUCEWRRSA-N 0 1 350.465 3.480 20 5 FGBDMN 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CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610036914 507078972 /nfs/dbraw/zinc/07/89/72/507078972.db2.gz UYSNHRJRBGBBNP-GOSISDBHSA-N 0 1 367.449 3.263 20 5 FGBDMN O=C(NCc1ccc(-c2ccncc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610069032 507088760 /nfs/dbraw/zinc/08/87/60/507088760.db2.gz NMNPDMSTXIZEPH-UHFFFAOYSA-N 0 1 373.372 3.463 20 5 FGBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3cnc[nH]3)cc2[N+](=O)[O-])C1 ZINC000597863211 507139867 /nfs/dbraw/zinc/13/98/67/507139867.db2.gz LAHNPFRPPMUSFW-KBPBESRZSA-N 0 1 371.441 3.072 20 5 FGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000600839840 507143688 /nfs/dbraw/zinc/14/36/88/507143688.db2.gz RMRCRIOHGHSIHN-CXAGYDPISA-N 0 1 356.426 3.421 20 5 FGBDMN CC1(C)C[C@H](NCc2n[nH]c([C@H]3CCCO3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000594514692 507165324 /nfs/dbraw/zinc/16/53/24/507165324.db2.gz ZIOFSBFWKMOAOR-LSDHHAIUSA-N 0 1 357.414 3.077 20 5 FGBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000610371181 507218988 /nfs/dbraw/zinc/21/89/88/507218988.db2.gz CPHVMBSOHAHGHD-SFHVURJKSA-N 0 1 370.405 3.278 20 5 FGBDMN COc1cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1SC ZINC000601149189 507277793 /nfs/dbraw/zinc/27/77/93/507277793.db2.gz KNTBHJXMRLGOAM-SFHVURJKSA-N 0 1 362.451 3.323 20 5 FGBDMN C[C@@H](NCc1ccnc(N2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000601302110 507328824 /nfs/dbraw/zinc/32/88/24/507328824.db2.gz GQKVVUFDKINGTC-CQSZACIVSA-N 0 1 358.467 3.394 20 5 FGBDMN COc1ccccc1[C@@H](N)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000591680778 507329765 /nfs/dbraw/zinc/32/97/65/507329765.db2.gz HNDNGKGBVFDRSV-INIZCTEOSA-N 0 1 357.410 3.157 20 5 FGBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H](C)N1 ZINC000591681099 507330307 /nfs/dbraw/zinc/33/03/07/507330307.db2.gz CQIMPKRPWWHRMJ-CHWSQXEVSA-N 0 1 363.483 3.452 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(Cc2ccccc2F)CC2CC2)c1[N+](=O)[O-] ZINC000598251754 507345642 /nfs/dbraw/zinc/34/56/42/507345642.db2.gz MOVNRJIUIJZAID-UHFFFAOYSA-N 0 1 360.389 3.462 20 5 FGBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461858 507357811 /nfs/dbraw/zinc/35/78/11/507357811.db2.gz DFLCHOWPWCOFPQ-JKIFEVAISA-N 0 1 374.412 3.481 20 5 FGBDMN COc1ccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000584481423 507368999 /nfs/dbraw/zinc/36/89/99/507368999.db2.gz NYZCDKPYVNDOMT-WBVHZDCISA-N 0 1 362.426 3.459 20 5 FGBDMN CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610788691 507391378 /nfs/dbraw/zinc/39/13/78/507391378.db2.gz DFIFRQMVRUCHNG-LJQANCHMSA-N 0 1 353.422 3.449 20 5 FGBDMN C[C@H]1[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000601583196 507394948 /nfs/dbraw/zinc/39/49/48/507394948.db2.gz XVMCCPBCPJYPKA-BBRMVZONSA-N 0 1 357.385 3.127 20 5 FGBDMN COc1cc2c(cc1OC)CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595293682 507452023 /nfs/dbraw/zinc/45/20/23/507452023.db2.gz DDTBZJJGXIKACM-UHFFFAOYSA-N 0 1 360.385 3.352 20 5 FGBDMN 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3.498 20 5 FGBDMN O=C(CN1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571400810 505725060 /nfs/dbraw/zinc/72/50/60/505725060.db2.gz YXZIHQCPZMQTHY-WFASDCNBSA-N 0 1 367.833 3.078 20 5 FGBDMN CCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000024099251 494605790 /nfs/dbraw/zinc/60/57/90/494605790.db2.gz VPJHWQFXNPDIOX-QGZVFWFLSA-N 0 1 357.366 3.286 20 5 FGBDMN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074808334 494606831 /nfs/dbraw/zinc/60/68/31/494606831.db2.gz PEFAVORSAKSZTQ-KRWDZBQOSA-N 0 1 353.422 3.331 20 5 FGBDMN O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092480173 494640151 /nfs/dbraw/zinc/64/01/51/494640151.db2.gz MNZHSJOTGBDDLN-UHFFFAOYSA-N 0 1 370.409 3.087 20 5 FGBDMN O=C(Nc1ccccc1)NC1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092480173 494640156 /nfs/dbraw/zinc/64/01/56/494640156.db2.gz MNZHSJOTGBDDLN-UHFFFAOYSA-N 0 1 370.409 3.087 20 5 FGBDMN C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175745 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372.421 3.436 20 5 FGBDMN CC(C)CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047864651 494783954 /nfs/dbraw/zinc/78/39/54/494783954.db2.gz GNFJMUUWBKXLBF-UHFFFAOYSA-N 0 1 372.372 3.002 20 5 FGBDMN Cc1cccc2nc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[nH]c21 ZINC000132469339 494879855 /nfs/dbraw/zinc/87/98/55/494879855.db2.gz XLMAXSDDVZLYPE-UHFFFAOYSA-N 0 1 365.393 3.047 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)nc1 ZINC000093534354 494898574 /nfs/dbraw/zinc/89/85/74/494898574.db2.gz UUJWJZUNIZFJNE-CYBMUJFWSA-N 0 1 370.438 3.128 20 5 FGBDMN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000110205182 494957628 /nfs/dbraw/zinc/95/76/28/494957628.db2.gz QUUCUHTWNWIYBO-CYBMUJFWSA-N 0 1 373.840 3.425 20 5 FGBDMN COc1ccccc1C(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000103484051 495241508 /nfs/dbraw/zinc/24/15/08/495241508.db2.gz OFIZULDSBUDBNB-UHFFFAOYSA-N 0 1 369.421 3.017 20 5 FGBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)COCc1ccccc1F)C1CC1 ZINC000135225849 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FGBDMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000182445184 495566230 /nfs/dbraw/zinc/56/62/30/495566230.db2.gz SZRZGCLDCYNBLL-CYBMUJFWSA-N 0 1 366.414 3.167 20 5 FGBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000182483030 495580502 /nfs/dbraw/zinc/58/05/02/495580502.db2.gz VFGLNMIOLQAHDV-UHFFFAOYSA-N 0 1 373.390 3.234 20 5 FGBDMN O=C(c1[nH]nc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173645409 495631229 /nfs/dbraw/zinc/63/12/29/495631229.db2.gz YKPSPAAPOURDLG-UHFFFAOYSA-N 0 1 366.377 3.155 20 5 FGBDMN COc1ccc(NC(=O)CNC(C)(C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000179582267 495649865 /nfs/dbraw/zinc/64/98/65/495649865.db2.gz FHRPCWMTSPCUAS-UHFFFAOYSA-N 0 1 361.373 3.206 20 5 FGBDMN CC(=O)c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179600367 495656525 /nfs/dbraw/zinc/65/65/25/495656525.db2.gz KPHCFGYPVUSWCJ-AWEZNQCLSA-N 0 1 355.398 3.177 20 5 FGBDMN CC(=O)c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000179600367 495656529 /nfs/dbraw/zinc/65/65/29/495656529.db2.gz KPHCFGYPVUSWCJ-AWEZNQCLSA-N 0 1 355.398 3.177 20 5 FGBDMN Cc1c(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cccc1[N+](=O)[O-] ZINC000179828725 495751743 /nfs/dbraw/zinc/75/17/43/495751743.db2.gz YLFKVIHBQUXQSM-GFCCVEGCSA-N 0 1 366.414 3.297 20 5 FGBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179851816 495759204 /nfs/dbraw/zinc/75/92/04/495759204.db2.gz LPFXMEYOCYKTJM-UHFFFAOYSA-N 0 1 362.292 3.426 20 5 FGBDMN CC[C@@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173951573 495760911 /nfs/dbraw/zinc/76/09/11/495760911.db2.gz NTJCWKJMEKGBHR-RHSMWYFYSA-N 0 1 365.455 3.014 20 5 FGBDMN Cc1ccc(C[C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000159657464 495780170 /nfs/dbraw/zinc/78/01/70/495780170.db2.gz DRPKRLSWZJAIIA-SECBINFHSA-N 0 1 358.416 3.013 20 5 FGBDMN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000151539071 495870924 /nfs/dbraw/zinc/87/09/24/495870924.db2.gz DSIGCFGNLFAQBS-VIFPVBQESA-N 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O=[N+]([O-])c1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c2c(c1)COCO2 ZINC000151803636 495953779 /nfs/dbraw/zinc/95/37/79/495953779.db2.gz CXPZXBWIUDFFEJ-RDJZCZTQSA-N 0 1 374.393 3.142 20 5 FGBDMN O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c2c(c1)COCO2 ZINC000151803684 495953829 /nfs/dbraw/zinc/95/38/29/495953829.db2.gz CXPZXBWIUDFFEJ-NVXWUHKLSA-N 0 1 374.393 3.142 20 5 FGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c2c(c1)COCO2 ZINC000151803684 495953834 /nfs/dbraw/zinc/95/38/34/495953834.db2.gz CXPZXBWIUDFFEJ-NVXWUHKLSA-N 0 1 374.393 3.142 20 5 FGBDMN CCOc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153059133 496338825 /nfs/dbraw/zinc/33/88/25/496338825.db2.gz RSQTWJCMKZAMCK-HNNXBMFYSA-N 0 1 371.437 3.303 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181520445 496431147 /nfs/dbraw/zinc/43/11/47/496431147.db2.gz HNCYZBPTHBECOM-CYBMUJFWSA-N 0 1 353.382 3.035 20 5 FGBDMN Cc1csc([C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181592442 496459867 /nfs/dbraw/zinc/45/98/67/496459867.db2.gz DLZLBZLZAQAOCU-MRXNPFEDSA-N 0 1 360.439 3.429 20 5 FGBDMN O=C(Nc1ccc2[nH]nnc2c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153459204 496462106 /nfs/dbraw/zinc/46/21/06/496462106.db2.gz AQCOYSWAOMIZKI-UHFFFAOYSA-N 0 1 366.362 3.242 20 5 FGBDMN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000187735078 496551429 /nfs/dbraw/zinc/55/14/29/496551429.db2.gz TWZZUNRYZOJXAB-SECBINFHSA-N 0 1 370.818 3.217 20 5 FGBDMN C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000163730927 496552879 /nfs/dbraw/zinc/55/28/79/496552879.db2.gz DDAASCREOKFVPS-OXJNMPFZSA-N 0 1 355.438 3.319 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000153715189 496554701 /nfs/dbraw/zinc/55/47/01/496554701.db2.gz IYCPGPALYHTGKD-VQTJNVASSA-N 0 1 356.422 3.074 20 5 FGBDMN COc1ccc(F)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000164000574 496579373 /nfs/dbraw/zinc/57/93/73/496579373.db2.gz VXTQAKQXUGBLDP-UHFFFAOYSA-N 0 1 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3.216 20 5 FGBDMN COC(=O)c1cnc([C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000932660335 761211629 /nfs/dbraw/zinc/21/16/29/761211629.db2.gz PCTHFFLYTXIFMI-AAEUAGOBSA-N 0 1 361.423 3.388 20 5 FGBDMN C[C@@](CO)(NCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934497561 761638543 /nfs/dbraw/zinc/63/85/43/761638543.db2.gz OSHFGNKTLFHHCJ-INIZCTEOSA-N 0 1 365.227 3.355 20 5 FGBDMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000106109708 209270959 /nfs/dbraw/zinc/27/09/59/209270959.db2.gz JIEGDUWCEUSTPG-GOSISDBHSA-N 0 1 353.422 3.298 20 5 FGBDMN CC[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000032446234 208028367 /nfs/dbraw/zinc/02/83/67/208028367.db2.gz KHTKDEGOSHXOMD-LJQANCHMSA-N 0 1 367.449 3.470 20 5 FGBDMN O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3Br)c2)nc1 ZINC000302128425 257384530 /nfs/dbraw/zinc/38/45/30/257384530.db2.gz BHKMHXOMMNHHQN-UHFFFAOYSA-N 0 1 361.159 3.077 20 5 FGBDMN CN(C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000533807562 503956996 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20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCCc1ccccc1 ZINC000052802437 494062252 /nfs/dbraw/zinc/06/22/52/494062252.db2.gz SDTRGZXEGBGVFW-HNNXBMFYSA-N 0 1 371.437 3.495 20 5 FGBDMN COc1ccccc1N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000033886107 494064239 /nfs/dbraw/zinc/06/42/39/494064239.db2.gz JBCLEFAVLCKJGJ-UHFFFAOYSA-N 0 1 371.437 3.195 20 5 FGBDMN Cc1c(CN2CCC(C(=O)Nc3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000054180465 494203940 /nfs/dbraw/zinc/20/39/40/494203940.db2.gz OCSKMJQKPTYKOP-UHFFFAOYSA-N 0 1 360.439 3.210 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000072634793 494221467 /nfs/dbraw/zinc/22/14/67/494221467.db2.gz WDPPUNHMRRDIIJ-KRWDZBQOSA-N 0 1 353.422 3.331 20 5 FGBDMN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000088549123 494248285 /nfs/dbraw/zinc/24/82/85/494248285.db2.gz UNRCVUZGGRBGHS-MEDUHNTESA-N 0 1 361.348 3.329 20 5 FGBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838056 494261577 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356.304 3.322 20 5 FGBDMN C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056381402 494496701 /nfs/dbraw/zinc/49/67/01/494496701.db2.gz RNRSYSLKGXYFSI-OAHLLOKOSA-N 0 1 368.437 3.013 20 5 FGBDMN C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000079852133 494535707 /nfs/dbraw/zinc/53/57/07/494535707.db2.gz YFYCCRDELHZZKR-IUODEOHRSA-N 0 1 362.455 3.319 20 5 FGBDMN COc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1F ZINC000067452107 494543393 /nfs/dbraw/zinc/54/33/93/494543393.db2.gz BQKHXZCYVQUXRS-SJCJKPOMSA-N 0 1 373.384 3.199 20 5 FGBDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000056935660 494595937 /nfs/dbraw/zinc/59/59/37/494595937.db2.gz ZHTPSEWWBQJHBW-GOSISDBHSA-N 0 1 374.416 3.178 20 5 FGBDMN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000067725136 494624761 /nfs/dbraw/zinc/62/47/61/494624761.db2.gz KRQLCOSIYVUKJI-KRWDZBQOSA-N 0 1 372.425 3.214 20 5 FGBDMN Cc1n[nH]c(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 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CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000028336929 493786067 /nfs/dbraw/zinc/78/60/67/493786067.db2.gz INWHVLUTPIWLES-OLZOCXBDSA-N 0 1 370.409 3.231 20 5 FGBDMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075941718 493797673 /nfs/dbraw/zinc/79/76/73/493797673.db2.gz RMBOASYZHGFPFZ-UHFFFAOYSA-N 0 1 357.410 3.071 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1 ZINC000081173667 493842763 /nfs/dbraw/zinc/84/27/63/493842763.db2.gz XQEFRXDEQVUBOP-UHFFFAOYSA-N 0 1 354.366 3.075 20 5 FGBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000076387841 493881287 /nfs/dbraw/zinc/88/12/87/493881287.db2.gz PMFCHNKDUAEAIY-CQSZACIVSA-N 0 1 359.451 3.393 20 5 FGBDMN CCc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])[nH]nc1-c1ccncc1 ZINC000068965745 493901510 /nfs/dbraw/zinc/90/15/10/493901510.db2.gz XONLFILFELETIC-UHFFFAOYSA-N 0 1 351.366 3.124 20 5 FGBDMN CC(C)CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000050553941 493921266 /nfs/dbraw/zinc/92/12/66/493921266.db2.gz MDTNUYRPBMKLJR-UHFFFAOYSA-N 0 1 374.466 3.132 20 5 FGBDMN CC(C)(C)CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000060407001 493931395 /nfs/dbraw/zinc/93/13/95/493931395.db2.gz VVGBBTYIZQERNH-UHFFFAOYSA-N 0 1 358.442 3.270 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000077108317 494015707 /nfs/dbraw/zinc/01/57/07/494015707.db2.gz OWYJSANRDIGRGC-ZDUSSCGKSA-N 0 1 360.389 3.114 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cc(C)no1 ZINC000052821909 494064917 /nfs/dbraw/zinc/06/49/17/494064917.db2.gz XBFHVHHZWJRNSD-OAHLLOKOSA-N 0 1 374.397 3.066 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000064335436 494114366 /nfs/dbraw/zinc/11/43/66/494114366.db2.gz WDMQBNOYHHVNJR-NSHDSACASA-N 0 1 357.395 3.213 20 5 FGBDMN Cc1csc2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)n12 ZINC000064350368 494116418 /nfs/dbraw/zinc/11/64/18/494116418.db2.gz UPNRKKHBSCARMG-UHFFFAOYSA-N 0 1 372.450 3.383 20 5 FGBDMN CCC(CC)N(CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064806139 494151095 /nfs/dbraw/zinc/15/10/95/494151095.db2.gz JEPKTJAYJBQDBT-UHFFFAOYSA-N 0 1 357.838 3.324 20 5 FGBDMN O=C(CN1CCC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010340753 494151528 /nfs/dbraw/zinc/15/15/28/494151528.db2.gz SLQHUWYKOXOXKZ-GOSISDBHSA-N 0 1 351.406 3.321 20 5 FGBDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838063 494261841 /nfs/dbraw/zinc/26/18/41/494261841.db2.gz HGROMXYPOPZPOK-OCCSQVGLSA-N 0 1 367.471 3.148 20 5 FGBDMN CC[C@@H](NCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000089545012 494323570 /nfs/dbraw/zinc/32/35/70/494323570.db2.gz ZSNCMNOOWFXJFW-MRXNPFEDSA-N 0 1 359.451 3.282 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000073167784 494331375 /nfs/dbraw/zinc/33/13/75/494331375.db2.gz DAFUVVJDUUMTGP-UHFFFAOYSA-N 0 1 372.425 3.299 20 5 FGBDMN Cc1c([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000089620681 494332499 /nfs/dbraw/zinc/33/24/99/494332499.db2.gz XOGMJCTZROQUFK-CZUORRHYSA-N 0 1 357.385 3.498 20 5 FGBDMN COc1ccc([C@H](C)N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000073544517 494387632 /nfs/dbraw/zinc/38/76/32/494387632.db2.gz AAEBDNCVZPCGDQ-NSHDSACASA-N 0 1 354.366 3.313 20 5 FGBDMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196290 494469118 /nfs/dbraw/zinc/46/91/18/494469118.db2.gz WCXLONYTQQYGQJ-QWHCGFSZSA-N 0 1 370.409 3.231 20 5 FGBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000074046974 494472847 /nfs/dbraw/zinc/47/28/47/494472847.db2.gz HXSMECWDXGQRDD-INIZCTEOSA-N 0 1 355.442 3.292 20 5 FGBDMN Cc1c([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000090591278 494485175 /nfs/dbraw/zinc/48/51/75/494485175.db2.gz YRABGJCGEWCVIN-WCQYABFASA-N 0 1 359.348 3.107 20 5 FGBDMN C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056934995 494596823 /nfs/dbraw/zinc/59/68/23/494596823.db2.gz DFOLAOKLHAIZRC-FZKQIMNGSA-N 0 1 374.416 3.397 20 5 FGBDMN CCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000024068238 494602598 /nfs/dbraw/zinc/60/25/98/494602598.db2.gz YSJORYRGQDYESO-CQSZACIVSA-N 0 1 363.439 3.088 20 5 FGBDMN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000092355173 494603682 /nfs/dbraw/zinc/60/36/82/494603682.db2.gz OMHPVQYMUOZMKR-SFHVURJKSA-N 0 1 366.377 3.291 20 5 FGBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](c2ccccc2)O1 ZINC000067827824 494658721 /nfs/dbraw/zinc/65/87/21/494658721.db2.gz BUGFSLNWNMHSOO-YVEFUNNKSA-N 0 1 366.377 3.073 20 5 FGBDMN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])s1 ZINC000108207978 494661517 /nfs/dbraw/zinc/66/15/17/494661517.db2.gz FYAOWODFEFNXCZ-UHFFFAOYSA-N 0 1 364.383 3.490 20 5 FGBDMN O=C(NC[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000092784237 494747701 /nfs/dbraw/zinc/74/77/01/494747701.db2.gz SWPNUCZRGLPWLM-KRWDZBQOSA-N 0 1 369.421 3.085 20 5 FGBDMN Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025940039 494790192 /nfs/dbraw/zinc/79/01/92/494790192.db2.gz XYHKKNKAGZMCFQ-OAHLLOKOSA-N 0 1 353.422 3.080 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000092973663 494796624 /nfs/dbraw/zinc/79/66/24/494796624.db2.gz IOYCDNVBTVOWPO-QGZVFWFLSA-N 0 1 350.321 3.152 20 5 FGBDMN Cc1noc(C2CC2)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000126873295 494853633 /nfs/dbraw/zinc/85/36/33/494853633.db2.gz AFIUYLSOOMPOTG-UHFFFAOYSA-N 0 1 351.384 3.186 20 5 FGBDMN COc1cc(CN(C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OC ZINC000093807231 494922790 /nfs/dbraw/zinc/92/27/90/494922790.db2.gz KAACKEMUASLXCV-UHFFFAOYSA-N 0 1 351.428 3.051 20 5 FGBDMN Cc1nc2c(s1)[C@H](N(C)C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111130052 495041884 /nfs/dbraw/zinc/04/18/84/495041884.db2.gz KHZZRHYTLQASKV-CQSZACIVSA-N 0 1 371.422 3.386 20 5 FGBDMN CCS[C@@H]1CCCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112090329 495143326 /nfs/dbraw/zinc/14/33/26/495143326.db2.gz FPYHXMPVKALFID-MRXNPFEDSA-N 0 1 363.483 3.092 20 5 FGBDMN COc1ccccc1CCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000104711091 495299495 /nfs/dbraw/zinc/29/94/95/495299495.db2.gz BCWOYGCRMMMODF-CQSZACIVSA-N 0 1 357.410 3.105 20 5 FGBDMN COc1cc(CN(C)CCC2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000120482054 495388646 /nfs/dbraw/zinc/38/86/46/495388646.db2.gz DIXNVRBFISYNCT-UHFFFAOYSA-N 0 1 374.384 3.453 20 5 FGBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141271160 495504470 /nfs/dbraw/zinc/50/44/70/495504470.db2.gz HKDQBUPJJCGCAY-UHFFFAOYSA-N 0 1 359.813 3.286 20 5 FGBDMN CC(C)CCSc1ccc(C(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000176209597 495547258 /nfs/dbraw/zinc/54/72/58/495547258.db2.gz TUBPADLWGAQZCC-NSHDSACASA-N 0 1 363.443 3.342 20 5 FGBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179334754 495547553 /nfs/dbraw/zinc/54/75/53/495547553.db2.gz CNGUTISTWJUAFO-HYJLXUOHSA-N 0 1 367.409 3.010 20 5 FGBDMN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173519360 495569603 /nfs/dbraw/zinc/56/96/03/495569603.db2.gz BOFBMDJJPVJQHD-INIZCTEOSA-N 0 1 353.422 3.331 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179603108 495657732 /nfs/dbraw/zinc/65/77/32/495657732.db2.gz YXKISWRKNFQCTN-CYBMUJFWSA-N 0 1 370.413 3.310 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Nc3ccccc3F)CC2)c1 ZINC000154584975 495662768 /nfs/dbraw/zinc/66/27/68/495662768.db2.gz XRTJHFVBXGZFCQ-IBGZPJMESA-N 0 1 359.401 3.344 20 5 FGBDMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171009499 495688025 /nfs/dbraw/zinc/68/80/25/495688025.db2.gz RBDKOVGJVZCFDM-DLBZAZTESA-N 0 1 366.377 3.121 20 5 FGBDMN Cc1cccc2nc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000154925946 495774087 /nfs/dbraw/zinc/77/40/87/495774087.db2.gz JUBLMUCCAWDRNL-UHFFFAOYSA-N 0 1 356.407 3.188 20 5 FGBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1Cc1ccccc1 ZINC000174008087 495786385 /nfs/dbraw/zinc/78/63/85/495786385.db2.gz GWLXNGCEGZKFKT-IBGZPJMESA-N 0 1 353.422 3.266 20 5 FGBDMN CCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000171346148 495830383 /nfs/dbraw/zinc/83/03/83/495830383.db2.gz ZFURJXMTCLTMAK-UHFFFAOYSA-N 0 1 361.423 3.121 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000171398731 495856207 /nfs/dbraw/zinc/85/62/07/495856207.db2.gz ZCLPDSYUDGPDFO-UHFFFAOYSA-N 0 1 356.304 3.171 20 5 FGBDMN CN1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180128811 495870393 /nfs/dbraw/zinc/87/03/93/495870393.db2.gz XNABIERZAJDODG-RDJZCZTQSA-N 0 1 359.813 3.423 20 5 FGBDMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000151549308 495875024 /nfs/dbraw/zinc/87/50/24/495875024.db2.gz DBPIISSAWMLVDX-CZUORRHYSA-N 0 1 355.394 3.060 20 5 FGBDMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000577879830 505811021 /nfs/dbraw/zinc/81/10/21/505811021.db2.gz SLDXNAMANZGFBF-SFHVURJKSA-N 0 1 359.382 3.183 20 5 FGBDMN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183311530 495926895 /nfs/dbraw/zinc/92/68/95/495926895.db2.gz AXGPCCWHTXINEM-CQSZACIVSA-N 0 1 370.340 3.254 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155529864 495984953 /nfs/dbraw/zinc/98/49/53/495984953.db2.gz FJFSUWNAXDMBBY-OAHLLOKOSA-N 0 1 368.437 3.254 20 5 FGBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000180717649 496116330 /nfs/dbraw/zinc/11/63/30/496116330.db2.gz RYCDNIWQQLOKOJ-ZDUSSCGKSA-N 0 1 373.409 3.291 20 5 FGBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1OC)N(C)C ZINC000156707737 496316261 /nfs/dbraw/zinc/31/62/61/496316261.db2.gz JLSCKHXHNGJWSG-GOSISDBHSA-N 0 1 359.426 3.465 20 5 FGBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000181244948 496325767 /nfs/dbraw/zinc/32/57/67/496325767.db2.gz DIOPMSJKHXNXGB-UHFFFAOYSA-N 0 1 365.271 3.324 20 5 FGBDMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000178205873 496369836 /nfs/dbraw/zinc/36/98/36/496369836.db2.gz YFRSFFILVYFAFS-ZDUSSCGKSA-N 0 1 373.409 3.210 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N(C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000187339448 496399722 /nfs/dbraw/zinc/39/97/22/496399722.db2.gz CFBIIQQUBVNQKU-OAHLLOKOSA-N 0 1 363.458 3.247 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N(C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000187339463 496399963 /nfs/dbraw/zinc/39/99/63/496399963.db2.gz CFBIIQQUBVNQKU-HNNXBMFYSA-N 0 1 363.458 3.247 20 5 FGBDMN Cc1ccc([C@H](C)NCc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000178298619 496403923 /nfs/dbraw/zinc/40/39/23/496403923.db2.gz CSNZBCVIKNJNOP-AWEZNQCLSA-N 0 1 362.451 3.299 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COCc2ccccc2F)C2CC2)c1 ZINC000153286508 496409275 /nfs/dbraw/zinc/40/92/75/496409275.db2.gz KOMMJAIJKQKYSN-IBGZPJMESA-N 0 1 374.412 3.276 20 5 FGBDMN CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181539477 496438156 /nfs/dbraw/zinc/43/81/56/496438156.db2.gz OAGRJEFNQUABCZ-UHFFFAOYSA-N 0 1 352.778 3.303 20 5 FGBDMN Cc1cnc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000175630376 496473178 /nfs/dbraw/zinc/47/31/78/496473178.db2.gz UHEHIGFCALLWMM-MRVPVSSYSA-N 0 1 361.832 3.053 20 5 FGBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000181745707 496526785 /nfs/dbraw/zinc/52/67/85/496526785.db2.gz DLVZJAHZWYKJBD-WCQYABFASA-N 0 1 368.792 3.478 20 5 FGBDMN Cc1cc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000153670882 496539240 /nfs/dbraw/zinc/53/92/40/496539240.db2.gz IRYGMIIFYCMIMP-UHFFFAOYSA-N 0 1 360.389 3.426 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000157732925 496541111 /nfs/dbraw/zinc/54/11/11/496541111.db2.gz HFWWEHVNLXJBRD-CVEARBPZSA-N 0 1 370.453 3.374 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCc2cccs2)cc1[N+](=O)[O-] ZINC000178692383 496542185 /nfs/dbraw/zinc/54/21/85/496542185.db2.gz SAHRMWCEWYHYKQ-ZIAGYGMSSA-N 0 1 361.467 3.363 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000184841299 496552257 /nfs/dbraw/zinc/55/22/57/496552257.db2.gz JHPXQOKWJVNZLR-UHFFFAOYSA-N 0 1 373.390 3.261 20 5 FGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184854308 496559229 /nfs/dbraw/zinc/55/92/29/496559229.db2.gz PKEXIGKABOZCEC-OAHLLOKOSA-N 0 1 361.398 3.056 20 5 FGBDMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835067 496566739 /nfs/dbraw/zinc/56/67/39/496566739.db2.gz KKPVWJPZIFXQLX-LSDHHAIUSA-N 0 1 371.437 3.440 20 5 FGBDMN CCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181842455 496568431 /nfs/dbraw/zinc/56/84/31/496568431.db2.gz NDEVGBXVXPPMFT-OAHLLOKOSA-N 0 1 371.437 3.269 20 5 FGBDMN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000158076569 496621808 /nfs/dbraw/zinc/62/18/08/496621808.db2.gz FXKFQJHEJPJZPR-HNNXBMFYSA-N 0 1 369.421 3.037 20 5 FGBDMN COC[C@H](Cc1ccccc1)N(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187995593 496644366 /nfs/dbraw/zinc/64/43/66/496644366.db2.gz FZWQJBMDTIKVKG-KRWDZBQOSA-N 0 1 374.437 3.302 20 5 FGBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000154046440 496666506 /nfs/dbraw/zinc/66/65/06/496666506.db2.gz BPUBYJPIFYZAGB-UHFFFAOYSA-N 0 1 363.439 3.074 20 5 FGBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000182175682 496698194 /nfs/dbraw/zinc/69/81/94/496698194.db2.gz KCNVATJDXXIEQX-LBPRGKRZSA-N 0 1 368.842 3.373 20 5 FGBDMN COC(=O)COc1ccccc1[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000273197787 496737721 /nfs/dbraw/zinc/73/77/21/496737721.db2.gz QVFCKFWDTZQOEG-ZDUSSCGKSA-N 0 1 374.393 3.006 20 5 FGBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCc2cn[nH]c21 ZINC000273199065 496738238 /nfs/dbraw/zinc/73/82/38/496738238.db2.gz KUZZXFSAHUZHOL-LLVKDONJSA-N 0 1 366.830 3.257 20 5 FGBDMN COC[C@H](Cc1ccccc1)N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191512716 496792345 /nfs/dbraw/zinc/79/23/45/496792345.db2.gz ATRDIYUCIDQFPK-INIZCTEOSA-N 0 1 362.401 3.432 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277752356 496874376 /nfs/dbraw/zinc/87/43/76/496874376.db2.gz HSAWRNGSHQDVAA-NWDGAFQWSA-N 0 1 359.430 3.381 20 5 FGBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000247548112 496886195 /nfs/dbraw/zinc/88/61/95/496886195.db2.gz QPUCLIPGFPMBEE-HUUCEWRRSA-N 0 1 361.442 3.027 20 5 FGBDMN CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000270280251 497093095 /nfs/dbraw/zinc/09/30/95/497093095.db2.gz SEHZJYJDLMJVMV-KRWDZBQOSA-N 0 1 372.450 3.099 20 5 FGBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1 ZINC000192484791 497129894 /nfs/dbraw/zinc/12/98/94/497129894.db2.gz GAOMTGVWPPDFFC-UHFFFAOYSA-N 0 1 356.338 3.456 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000278636301 497175140 /nfs/dbraw/zinc/17/51/40/497175140.db2.gz QEXFQOIQWOSBCU-GFCCVEGCSA-N 0 1 374.397 3.131 20 5 FGBDMN COC(=O)[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000193505154 497398793 /nfs/dbraw/zinc/39/87/93/497398793.db2.gz CAAKNDMHZURYEB-QWHCGFSZSA-N 0 1 361.423 3.150 20 5 FGBDMN C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271619524 497400557 /nfs/dbraw/zinc/40/05/57/497400557.db2.gz MKJGUHPHQGDDEH-IUODEOHRSA-N 0 1 362.455 3.319 20 5 FGBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)N(C)C)c1 ZINC000193545090 497409001 /nfs/dbraw/zinc/40/90/01/497409001.db2.gz AOYSXOHGZSKUMD-SFHVURJKSA-N 0 1 372.425 3.336 20 5 FGBDMN Cc1cc(C2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)[nH]n1 ZINC000271656928 497410709 /nfs/dbraw/zinc/41/07/09/497410709.db2.gz WMTOWGPZWMQRTB-UHFFFAOYSA-N 0 1 368.397 3.056 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261776253 497448533 /nfs/dbraw/zinc/44/85/33/497448533.db2.gz MRFOQAHCHBXWMW-QGZVFWFLSA-N 0 1 359.813 3.343 20 5 FGBDMN CC(C)n1ncc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000194622537 497722074 /nfs/dbraw/zinc/72/20/74/497722074.db2.gz WTJPDIRVDVEDCV-UHFFFAOYSA-N 0 1 360.395 3.326 20 5 FGBDMN COc1cc(CNC[C@H](C)OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191141629 497723171 /nfs/dbraw/zinc/72/31/71/497723171.db2.gz LIQYYJUNWVRMTD-AWEZNQCLSA-N 0 1 360.410 3.307 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000277163895 497761900 /nfs/dbraw/zinc/76/19/00/497761900.db2.gz XKJXVAQOTJOHJT-RKDXNWHRSA-N 0 1 351.794 3.371 20 5 FGBDMN COc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)N2CCCCC2)cc1 ZINC000301083321 497943472 /nfs/dbraw/zinc/94/34/72/497943472.db2.gz JPCUPGSEUAPEIV-KRWDZBQOSA-N 0 1 373.457 3.284 20 5 FGBDMN COc1cc(CN2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000292690698 498111225 /nfs/dbraw/zinc/11/12/25/498111225.db2.gz KGVSXYIELCWTGB-OAHLLOKOSA-N 0 1 372.368 3.084 20 5 FGBDMN CC(C)c1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000296881813 498235145 /nfs/dbraw/zinc/23/51/45/498235145.db2.gz QLQARRMLYXULDF-UHFFFAOYSA-N 0 1 372.307 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ZINC000363510646 498853666 /nfs/dbraw/zinc/85/36/66/498853666.db2.gz PMAYYVJTRPMBOV-LLVKDONJSA-N 0 1 355.320 3.111 20 5 FGBDMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000294944558 498859241 /nfs/dbraw/zinc/85/92/41/498859241.db2.gz AEAHXVRFMIBVSJ-QWHCGFSZSA-N 0 1 373.409 3.290 20 5 FGBDMN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1n[nH]c(C2CC2)n1 ZINC000295009550 498879068 /nfs/dbraw/zinc/87/90/68/498879068.db2.gz SIIBSCNRJGJJJN-UHFFFAOYSA-N 0 1 372.263 3.129 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000295770723 499097939 /nfs/dbraw/zinc/09/79/39/499097939.db2.gz SNUNLYBMBHSRQR-NEPJUHHUSA-N 0 1 373.413 3.067 20 5 FGBDMN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367017475 499134291 /nfs/dbraw/zinc/13/42/91/499134291.db2.gz QBQJMLWTPKNQLP-UHFFFAOYSA-N 0 1 359.363 3.359 20 5 FGBDMN O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC000367348302 499185936 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ZINC000447728796 500654828 /nfs/dbraw/zinc/65/48/28/500654828.db2.gz MMEGHYVIPRPNQW-QGZVFWFLSA-N 0 1 355.394 3.161 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433744563 500736172 /nfs/dbraw/zinc/73/61/72/500736172.db2.gz LBKFLEPHJYEEON-HNNXBMFYSA-N 0 1 371.441 3.182 20 5 FGBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000443935809 500780492 /nfs/dbraw/zinc/78/04/92/500780492.db2.gz IQNFEYZSTVSVIT-WKEGUHRASA-N 0 1 360.379 3.220 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438811804 500822186 /nfs/dbraw/zinc/82/21/86/500822186.db2.gz LWPSJFMLESVFGQ-UHFFFAOYSA-N 0 1 358.379 3.094 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)nc2c1 ZINC000444706987 500884106 /nfs/dbraw/zinc/88/41/06/500884106.db2.gz PFPPCLFGPBNNJS-CRAIPNDOSA-N 0 1 374.347 3.369 20 5 FGBDMN COc1ccc(OCCN(C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000444711605 500884866 /nfs/dbraw/zinc/88/48/66/500884866.db2.gz 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ZINC000452316790 501476736 /nfs/dbraw/zinc/47/67/36/501476736.db2.gz CRMOMYFCDSEVFI-UHFFFAOYSA-N 0 1 366.780 3.432 20 5 FGBDMN CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000457064119 501643446 /nfs/dbraw/zinc/64/34/46/501643446.db2.gz CDFOQAXLOQVFIQ-UHFFFAOYSA-N 0 1 359.348 3.084 20 5 FGBDMN Cc1c(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000457079430 501646596 /nfs/dbraw/zinc/64/65/96/501646596.db2.gz FGPMZDOZJBGIDQ-UHFFFAOYSA-N 0 1 373.375 3.392 20 5 FGBDMN CCOc1cc(N2CCN(C3CC(OC(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC000459454462 501656426 /nfs/dbraw/zinc/65/64/26/501656426.db2.gz YNDKTQKNYNZNEU-UHFFFAOYSA-N 0 1 363.458 3.072 20 5 FGBDMN CC(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCCC1 ZINC000459541101 501672728 /nfs/dbraw/zinc/67/27/28/501672728.db2.gz YOEBKJWUWGORIC-QGZVFWFLSA-N 0 1 374.441 3.312 20 5 FGBDMN CC(C)N1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000485304699 501783968 /nfs/dbraw/zinc/78/39/68/501783968.db2.gz RCAJMSSWJXDVKG-LSDHHAIUSA-N 0 1 365.384 3.242 20 5 FGBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481679039 501847342 /nfs/dbraw/zinc/84/73/42/501847342.db2.gz WQGPUVSNIJBCLP-FQEVSTJZSA-N 0 1 354.406 3.495 20 5 FGBDMN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c(F)c1 ZINC000478273498 501928947 /nfs/dbraw/zinc/92/89/47/501928947.db2.gz NBWIDGQKIQOGAL-JKSUJKDBSA-N 0 1 354.328 3.061 20 5 FGBDMN CCOc1ccc2nc(Sc3ncc(C(=O)OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000478277271 501929961 /nfs/dbraw/zinc/92/99/61/501929961.db2.gz HJAAXELPPTWPDF-UHFFFAOYSA-N 0 1 374.378 3.203 20 5 FGBDMN CCc1ccc([C@H](NC[C@H](CO)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000482006103 501945190 /nfs/dbraw/zinc/94/51/90/501945190.db2.gz LIFKHQRTKFGHQF-JXXFODFXSA-N 0 1 374.437 3.074 20 5 FGBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000482071918 501965307 /nfs/dbraw/zinc/96/53/07/501965307.db2.gz SKQFENFLUDSADC-UHFFFAOYSA-N 0 1 372.469 3.260 20 5 FGBDMN 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358.398 3.248 20 5 FGBDMN Cc1[nH]ncc1C1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000566052258 505066630 /nfs/dbraw/zinc/06/66/30/505066630.db2.gz PDHDLBZLXOZWIP-LBPRGKRZSA-N 0 1 357.414 3.277 20 5 FGBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000554240914 505123746 /nfs/dbraw/zinc/12/37/46/505123746.db2.gz AZGDRKVALCUYLC-MRXNPFEDSA-N 0 1 368.393 3.125 20 5 FGBDMN COc1ccccc1-c1noc([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000566515904 505193194 /nfs/dbraw/zinc/19/31/94/505193194.db2.gz UUVZZAWAJRWCAF-LLVKDONJSA-N 0 1 370.365 3.210 20 5 FGBDMN Cc1ccc2nc(CN[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000566524022 505194818 /nfs/dbraw/zinc/19/48/18/505194818.db2.gz FTCBKNVXZGCDJZ-AWEZNQCLSA-N 0 1 367.409 3.058 20 5 FGBDMN Cc1ccc2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000557806897 505235527 /nfs/dbraw/zinc/23/55/27/505235527.db2.gz HOELQYHAXWIIPW-UHFFFAOYSA-N 0 1 362.349 3.218 20 5 FGBDMN 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ZINC000825140119 608552284 /nfs/dbraw/zinc/55/22/84/608552284.db2.gz JFFSJITYQSDGGI-MRXNPFEDSA-N 0 1 368.397 3.024 20 5 FGBDMN C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000077944250 700270474 /nfs/dbraw/zinc/27/04/74/700270474.db2.gz LMSHZNMZRZZRHC-SECBINFHSA-N 0 1 363.761 3.016 20 5 FGBDMN Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cnc1Cl ZINC000085235605 700366328 /nfs/dbraw/zinc/36/63/28/700366328.db2.gz RRFGXUSTJFBVSC-UHFFFAOYSA-N 0 1 355.803 3.369 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cs1 ZINC000120013771 700645640 /nfs/dbraw/zinc/64/56/40/700645640.db2.gz GVADUNNLRCMPLP-UHFFFAOYSA-N 0 1 353.425 3.057 20 5 FGBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C2(CCCCC2)C1 ZINC000174459910 705505135 /nfs/dbraw/zinc/50/51/35/705505135.db2.gz UTYRKGAKLLRZSG-UHFFFAOYSA-N 0 1 351.834 3.339 20 5 FGBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C2(CCCCC2)C1 ZINC000174459910 705505138 /nfs/dbraw/zinc/50/51/38/705505138.db2.gz UTYRKGAKLLRZSG-UHFFFAOYSA-N 0 1 351.834 3.339 20 5 FGBDMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000374305882 713912118 /nfs/dbraw/zinc/91/21/18/713912118.db2.gz APSLIKWBJNWTFM-WMLDXEAASA-N 0 1 364.833 3.070 20 5 FGBDMN CC(C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccs1 ZINC000525175594 714326368 /nfs/dbraw/zinc/32/63/68/714326368.db2.gz IBKZLQDEMCYQMG-NSHDSACASA-N 0 1 355.441 3.117 20 5 FGBDMN Cc1c(CNC(=O)c2cccc(Br)c2O)cccc1[N+](=O)[O-] ZINC000616492054 714589771 /nfs/dbraw/zinc/58/97/71/714589771.db2.gz TZZCBTPQBIWQKL-UHFFFAOYSA-N 0 1 365.183 3.301 20 5 FGBDMN CCOC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000619531792 714849134 /nfs/dbraw/zinc/84/91/34/714849134.db2.gz PNFBUGFVOXPPQP-UHFFFAOYSA-N 0 1 350.415 3.159 20 5 FGBDMN C[C@@H](CN(C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1nccs1 ZINC000784036710 724815482 /nfs/dbraw/zinc/81/54/82/724815482.db2.gz GGXRKNHDLJIOSD-LBPRGKRZSA-N 0 1 358.427 3.003 20 5 FGBDMN O=[N+]([O-])c1cccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995057 722195042 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493836029 /nfs/dbraw/zinc/83/60/29/493836029.db2.gz JSHMKTRCHLMSLW-UHFFFAOYSA-N 0 1 368.393 3.045 20 5 FGBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051050876 493944007 /nfs/dbraw/zinc/94/40/07/493944007.db2.gz BGJAORWRTRSCCS-HOCLYGCPSA-N 0 1 363.458 3.120 20 5 FGBDMN CCCCCNC(=O)C1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051802967 493989041 /nfs/dbraw/zinc/98/90/41/493989041.db2.gz VOYLEFQZGJLLOC-UHFFFAOYSA-N 0 1 363.458 3.122 20 5 FGBDMN C[C@@H]1CN(Cc2ccccc2CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000052314573 494018265 /nfs/dbraw/zinc/01/82/65/494018265.db2.gz ODSLJRPBZCIZJA-GASCZTMLSA-N 0 1 356.426 3.211 20 5 FGBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000077327151 494058770 /nfs/dbraw/zinc/05/87/70/494058770.db2.gz YEGBROVKRJRWMP-QGZVFWFLSA-N 0 1 368.437 3.121 20 5 FGBDMN CN(CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052802739 494063301 /nfs/dbraw/zinc/06/33/01/494063301.db2.gz XZUZEZUBWOQDJA-UHFFFAOYSA-N 0 1 353.422 3.049 20 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/nfs/dbraw/zinc/77/81/38/495778138.db2.gz BLJBPMSJOVZDRA-GFCCVEGCSA-N 0 1 361.373 3.422 20 5 FGBDMN COc1ccc(OCCN[C@@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC000179906067 495778594 /nfs/dbraw/zinc/77/85/94/495778594.db2.gz NGZQAPSKOJZNFZ-LBPRGKRZSA-N 0 1 364.373 3.481 20 5 FGBDMN O=C(NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)C1CC1 ZINC000179912846 495780970 /nfs/dbraw/zinc/78/09/70/495780970.db2.gz IRIBASMHIMFDIG-UHFFFAOYSA-N 0 1 369.421 3.345 20 5 FGBDMN CCc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1[N+](=O)[O-] ZINC000174025835 495793804 /nfs/dbraw/zinc/79/38/04/495793804.db2.gz SYJBPIALHMKULZ-LJQANCHMSA-N 0 1 371.437 3.199 20 5 FGBDMN C[C@H](CN1CCCC1=O)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180203348 495904625 /nfs/dbraw/zinc/90/46/25/495904625.db2.gz CACMBAQGJYUSBS-QRWLVFNGSA-N 0 1 353.422 3.285 20 5 FGBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174453796 495965399 /nfs/dbraw/zinc/96/53/99/495965399.db2.gz VXUPEJVXGRGEII-UHFFFAOYSA-N 0 1 369.356 3.115 20 5 FGBDMN C[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180395706 495979859 /nfs/dbraw/zinc/97/98/59/495979859.db2.gz TUEUAIGQCSKBOY-HNNXBMFYSA-N 0 1 353.422 3.441 20 5 FGBDMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412780 495987103 /nfs/dbraw/zinc/98/71/03/495987103.db2.gz GOUJXSZAXCPUGF-AWEZNQCLSA-N 0 1 359.401 3.433 20 5 FGBDMN Cc1ccc(NC(=O)[C@@H](Sc2c[nH]nn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000177376659 496038029 /nfs/dbraw/zinc/03/80/29/496038029.db2.gz CQTVIXQKCICCBO-INIZCTEOSA-N 0 1 369.406 3.493 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161179823 496121450 /nfs/dbraw/zinc/12/14/50/496121450.db2.gz QDUAPACLZDSBGZ-UHFFFAOYSA-N 0 1 354.359 3.052 20 5 FGBDMN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000155986677 496126079 /nfs/dbraw/zinc/12/60/79/496126079.db2.gz WGQHOOVDUDWPPP-KRWDZBQOSA-N 0 1 370.409 3.482 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3Cc4ccccc4[C@H]3O)cs2)c1 ZINC000172068320 496149907 /nfs/dbraw/zinc/14/99/07/496149907.db2.gz FZBHQAIUSYMJRN-ZWKOTPCHSA-N 0 1 367.430 3.466 20 5 FGBDMN O=C(Nc1cccc(Cl)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000172109538 496168677 /nfs/dbraw/zinc/16/86/77/496168677.db2.gz PRHMTJILLYULQE-UHFFFAOYSA-N 0 1 358.741 3.392 20 5 FGBDMN COC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000156428996 496243928 /nfs/dbraw/zinc/24/39/28/496243928.db2.gz JVCCEAHOPSFXNC-BLLLJJGKSA-N 0 1 361.398 3.191 20 5 FGBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156538889 496272447 /nfs/dbraw/zinc/27/24/47/496272447.db2.gz SBQRIEIBMKOBRI-UHFFFAOYSA-N 0 1 366.352 3.323 20 5 FGBDMN C[C@H](C[S@@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184262516 496308896 /nfs/dbraw/zinc/30/88/96/496308896.db2.gz RIJRSTBGXRLFNX-DJNLSKAYSA-N 0 1 356.831 3.365 20 5 FGBDMN CC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000175456409 496399692 /nfs/dbraw/zinc/39/96/92/496399692.db2.gz QMTZNCWDLIGICJ-MRXNPFEDSA-N 0 1 351.362 3.317 20 5 FGBDMN Cc1ccc([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000178286720 496399755 /nfs/dbraw/zinc/39/97/55/496399755.db2.gz ZZYSADMSWCPJJY-AWEZNQCLSA-N 0 1 362.451 3.299 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000162855522 496423187 /nfs/dbraw/zinc/42/31/87/496423187.db2.gz VWFIKMJYOZRXQX-UHFFFAOYSA-N 0 1 369.425 3.084 20 5 FGBDMN COCCC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000187478982 496458246 /nfs/dbraw/zinc/45/82/46/496458246.db2.gz VEHLVPWXQIWWMF-UHFFFAOYSA-N 0 1 360.414 3.188 20 5 FGBDMN C[C@H](Cn1cc(Br)cn1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184665831 496485713 /nfs/dbraw/zinc/48/57/13/496485713.db2.gz YQOSDSJHDXRXHM-SECBINFHSA-N 0 1 373.638 3.386 20 5 FGBDMN CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000187591460 496502839 /nfs/dbraw/zinc/50/28/39/496502839.db2.gz KHDNMFJCCFXEIL-KRWDZBQOSA-N 0 1 369.421 3.037 20 5 FGBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000181745669 496527362 /nfs/dbraw/zinc/52/73/62/496527362.db2.gz DLVZJAHZWYKJBD-AAEUAGOBSA-N 0 1 368.792 3.478 20 5 FGBDMN Cc1csc(C(C)(C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000181761989 496532903 /nfs/dbraw/zinc/53/29/03/496532903.db2.gz XNBZKWVWEXXQMF-UHFFFAOYSA-N 0 1 366.418 3.352 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184809302 496540409 /nfs/dbraw/zinc/54/04/09/496540409.db2.gz YZPDLNUXAWQHDL-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000184839244 496552541 /nfs/dbraw/zinc/55/25/41/496552541.db2.gz LPXLEJWXYJSJJT-LBPRGKRZSA-N 0 1 371.315 3.239 20 5 FGBDMN COCc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181809480 496553451 /nfs/dbraw/zinc/55/34/51/496553451.db2.gz QQANHAJPHTZUBC-OAHLLOKOSA-N 0 1 371.437 3.017 20 5 FGBDMN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000181830115 496564278 /nfs/dbraw/zinc/56/42/78/496564278.db2.gz JUORIFRMSKCEAN-CQSZACIVSA-N 0 1 359.401 3.318 20 5 FGBDMN CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181838288 496566432 /nfs/dbraw/zinc/56/64/32/496566432.db2.gz ARYVAGRENSQCCA-ZDUSSCGKSA-N 0 1 355.394 3.395 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccccc3)CCC2)cc1 ZINC000182046887 496648361 /nfs/dbraw/zinc/64/83/61/496648361.db2.gz ZFEBPZHGPHGKEG-UHFFFAOYSA-N 0 1 360.435 3.038 20 5 FGBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182098853 496669369 /nfs/dbraw/zinc/66/93/69/496669369.db2.gz ZBOVSUPFSBOPCF-CYBMUJFWSA-N 0 1 361.829 3.499 20 5 FGBDMN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000185120268 496669575 /nfs/dbraw/zinc/66/95/75/496669575.db2.gz ZTQQHJDDBSCIEU-LBPRGKRZSA-N 0 1 364.427 3.129 20 5 FGBDMN CC(C)N1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000571976135 505860244 /nfs/dbraw/zinc/86/02/44/505860244.db2.gz FSPIYMBKMPYXMJ-INIZCTEOSA-N 0 1 363.461 3.236 20 5 FGBDMN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000158436849 496701674 /nfs/dbraw/zinc/70/16/74/496701674.db2.gz LKSLBRQRLJTEKL-DYVFJYSZSA-N 0 1 366.377 3.121 20 5 FGBDMN Cc1c([C@@H](C)NCc2cnc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000185282644 496723981 /nfs/dbraw/zinc/72/39/81/496723981.db2.gz VCYIIVYOWCCBLC-CQSZACIVSA-N 0 1 374.416 3.125 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n[nH]1 ZINC000277497549 496792702 /nfs/dbraw/zinc/79/27/02/496792702.db2.gz UXEHZGKGIWEBOU-VHSXEESVSA-N 0 1 358.402 3.284 20 5 FGBDMN COc1cccc(Cl)c1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191879603 496918857 /nfs/dbraw/zinc/91/88/57/496918857.db2.gz XOGATEVHMDPKKT-UHFFFAOYSA-N 0 1 360.757 3.063 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000273849212 496931349 /nfs/dbraw/zinc/93/13/49/496931349.db2.gz LEARQJZWFIYCSA-JTQLQIEISA-N 0 1 363.393 3.130 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)o2)c1[N+](=O)[O-] ZINC000269379936 496933468 /nfs/dbraw/zinc/93/34/68/496933468.db2.gz OTJDMCWQFLZXNX-UHFFFAOYSA-N 0 1 371.191 3.069 20 5 FGBDMN CSc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248046365 496947432 /nfs/dbraw/zinc/94/74/32/496947432.db2.gz MZHBVBIPOQCCMH-CRAIPNDOSA-N 0 1 371.462 3.492 20 5 FGBDMN CN1C(=O)C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000192151755 497014559 /nfs/dbraw/zinc/01/45/59/497014559.db2.gz NMKWFGCZOGBIHD-CRAIPNDOSA-N 0 1 359.813 3.310 20 5 FGBDMN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000192709451 497190958 /nfs/dbraw/zinc/19/09/58/497190958.db2.gz YWFOPWIQKHMXJC-AWEZNQCLSA-N 0 1 358.446 3.152 20 5 FGBDMN CC(C)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1[N+](=O)[O-] ZINC000189759972 497235036 /nfs/dbraw/zinc/23/50/36/497235036.db2.gz YWIFWGGSUHVDAU-UHFFFAOYSA-N 0 1 354.370 3.094 20 5 FGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCc2[nH]ncc21 ZINC000279148376 497348606 /nfs/dbraw/zinc/34/86/06/497348606.db2.gz ACCHJVHDFQBNEP-LBPRGKRZSA-N 0 1 368.315 3.073 20 5 FGBDMN Cc1occc1C(=O)NC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266500767 497358563 /nfs/dbraw/zinc/35/85/63/497358563.db2.gz AAWLJRWLXJSZJZ-CYBMUJFWSA-N 0 1 357.410 3.452 20 5 FGBDMN C[C@H]1CN(Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000190315191 497434288 /nfs/dbraw/zinc/43/42/88/497434288.db2.gz ULCQZFVLSJRVHI-STQMWFEESA-N 0 1 362.455 3.273 20 5 FGBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267417274 497546436 /nfs/dbraw/zinc/54/64/36/497546436.db2.gz KACOVIFSHMYZLD-CQSZACIVSA-N 0 1 359.813 3.253 20 5 FGBDMN CCOc1cc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678661 /nfs/dbraw/zinc/67/86/61/497678661.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 0 1 371.441 3.369 20 5 FGBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000299557780 497845806 /nfs/dbraw/zinc/84/58/06/497845806.db2.gz SKPQYOKTCWDGHN-VIFPVBQESA-N 0 1 356.304 3.478 20 5 FGBDMN Cc1cc([C@H]2CCCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000289076120 498004938 /nfs/dbraw/zinc/00/49/38/498004938.db2.gz PEHZODOYWVWZCU-HNNXBMFYSA-N 0 1 372.425 3.110 20 5 FGBDMN COc1cc(N[C@@H](C)CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301404628 498095658 /nfs/dbraw/zinc/09/56/58/498095658.db2.gz SUEIBSZFCLGKOV-INIZCTEOSA-N 0 1 370.453 3.226 20 5 FGBDMN CCOc1cc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301423734 498104305 /nfs/dbraw/zinc/10/43/05/498104305.db2.gz AVQMQDMBOHDIAG-ZIAGYGMSSA-N 0 1 351.447 3.293 20 5 FGBDMN CCOc1cc(C[N@@H+](CC)C2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000572543792 505993951 /nfs/dbraw/zinc/99/39/51/505993951.db2.gz XUFKAVWYPCVVCR-UHFFFAOYSA-N 0 1 350.415 3.459 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364817562 498158034 /nfs/dbraw/zinc/15/80/34/498158034.db2.gz ZKNNXAVYVINUJH-GOSISDBHSA-N 0 1 367.409 3.379 20 5 FGBDMN Cc1cc(F)c(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000296796157 498199612 /nfs/dbraw/zinc/19/96/12/498199612.db2.gz QLAIJIQDMDZSQI-VIFPVBQESA-N 0 1 350.354 3.167 20 5 FGBDMN CC(C)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000331179414 498268437 /nfs/dbraw/zinc/26/84/37/498268437.db2.gz WREFAYDPXUBNJM-CQSZACIVSA-N 0 1 359.348 3.026 20 5 FGBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)n[nH]1 ZINC000301831649 498283401 /nfs/dbraw/zinc/28/34/01/498283401.db2.gz QRXJESPPTLIGFK-SNVBAGLBSA-N 0 1 355.320 3.424 20 5 FGBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)[nH]1 ZINC000301831649 498283408 /nfs/dbraw/zinc/28/34/08/498283408.db2.gz QRXJESPPTLIGFK-SNVBAGLBSA-N 0 1 355.320 3.424 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000360671945 498296092 /nfs/dbraw/zinc/29/60/92/498296092.db2.gz MMBUPDRDLWLMKV-AWEZNQCLSA-N 0 1 356.426 3.187 20 5 FGBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000575832954 506013797 /nfs/dbraw/zinc/01/37/97/506013797.db2.gz 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C[C@@H](c1nc(-c2cccnc2)no1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282441801 498513690 /nfs/dbraw/zinc/51/36/90/498513690.db2.gz KZMBQNAMBIZGET-ZDUSSCGKSA-N 0 1 353.382 3.275 20 5 FGBDMN CCCc1nc(C)c(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000293886043 498522397 /nfs/dbraw/zinc/52/23/97/498522397.db2.gz YYXWHOOAAUVRRH-GFCCVEGCSA-N 0 1 360.414 3.351 20 5 FGBDMN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)c(Br)cc1[N+](=O)[O-] ZINC000302668029 498526828 /nfs/dbraw/zinc/52/68/28/498526828.db2.gz JVROGRFHOUACSR-NEPJUHHUSA-N 0 1 354.248 3.339 20 5 FGBDMN Cc1ccc(CC2(O)CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000365555252 498530652 /nfs/dbraw/zinc/53/06/52/498530652.db2.gz LEHOEZBOJHNRCD-FQEVSTJZSA-N 0 1 370.449 3.006 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293924870 498534281 /nfs/dbraw/zinc/53/42/81/498534281.db2.gz ISUYGTKVNCSHJE-KBXCAEBGSA-N 0 1 363.483 3.020 20 5 FGBDMN CCc1[nH]nc(C(=O)N2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000332047635 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Cc1nc(C)c([C@H](C)N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000269466844 496954019 /nfs/dbraw/zinc/95/40/19/496954019.db2.gz TYUFRKVPRWOYCK-VIFPVBQESA-N 0 1 351.432 3.348 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192354097 497084355 /nfs/dbraw/zinc/08/43/55/497084355.db2.gz CFVOIQMEYJWMCG-MRXNPFEDSA-N 0 1 355.394 3.215 20 5 FGBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000270295188 497095994 /nfs/dbraw/zinc/09/59/94/497095994.db2.gz XODDEQMOQOXGID-JTQLQIEISA-N 0 1 351.432 3.348 20 5 FGBDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270819201 497208661 /nfs/dbraw/zinc/20/86/61/497208661.db2.gz PYIZDEYIMASZSS-INIZCTEOSA-N 0 1 355.398 3.070 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC4(CCOCC4)C3)o2)cc1 ZINC000266043157 497240624 /nfs/dbraw/zinc/24/06/24/497240624.db2.gz WUSJFYVWORZUAO-UHFFFAOYSA-N 0 1 358.398 3.037 20 5 FGBDMN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000189821334 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ICFYIYHJOYMOAW-UHOSZYNNSA-N 0 1 372.469 3.459 20 5 FGBDMN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272674944 497698869 /nfs/dbraw/zinc/69/88/69/497698869.db2.gz LYOHNZUPAVMJQR-FZKQIMNGSA-N 0 1 356.378 3.198 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000272686236 497701636 /nfs/dbraw/zinc/70/16/36/497701636.db2.gz PCXHMLOHUQNFKP-QAPCUYQASA-N 0 1 374.368 3.168 20 5 FGBDMN COc1cc(CNC[C@@H](C)OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191141645 497723386 /nfs/dbraw/zinc/72/33/86/497723386.db2.gz LIQYYJUNWVRMTD-CQSZACIVSA-N 0 1 360.410 3.307 20 5 FGBDMN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000191176814 497734546 /nfs/dbraw/zinc/73/45/46/497734546.db2.gz CJDSXMNMPGHSCR-UHFFFAOYSA-N 0 1 360.800 3.313 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000277163889 497761658 /nfs/dbraw/zinc/76/16/58/497761658.db2.gz XKJXVAQOTJOHJT-DTWKUNHWSA-N 0 1 351.794 3.371 20 5 FGBDMN 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FGBDMN O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F ZINC000052724000 494057260 /nfs/dbraw/zinc/05/72/60/494057260.db2.gz DNFINFHELRBPGB-UHFFFAOYSA-N 0 1 357.385 3.128 20 5 FGBDMN CCOC(=O)CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000580205464 505703238 /nfs/dbraw/zinc/70/32/38/505703238.db2.gz JRIZEJABOUSSAO-AWEZNQCLSA-N 0 1 358.394 3.427 20 5 FGBDMN CC(=O)N1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000053815468 494169513 /nfs/dbraw/zinc/16/95/13/494169513.db2.gz IVINAUALEAGTHB-UHFFFAOYSA-N 0 1 350.418 3.000 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1CCCC1 ZINC000072576971 494208588 /nfs/dbraw/zinc/20/85/88/494208588.db2.gz KSQSQNVKSLXCEF-UHFFFAOYSA-N 0 1 361.423 3.304 20 5 FGBDMN COc1cc(CN2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751452 494258521 /nfs/dbraw/zinc/25/85/21/494258521.db2.gz SMQZVBDRWAUWRY-OAHLLOKOSA-N 0 1 372.425 3.002 20 5 FGBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837330 494261189 /nfs/dbraw/zinc/26/11/89/494261189.db2.gz YIVUYIANLDZXFK-DZGCQCFKSA-N 0 1 351.472 3.448 20 5 FGBDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072838410 494261936 /nfs/dbraw/zinc/26/19/36/494261936.db2.gz KHZRWPKDVNRFBJ-OCCSQVGLSA-N 0 1 367.471 3.148 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N1CCCC1 ZINC000078807559 494365385 /nfs/dbraw/zinc/36/53/85/494365385.db2.gz LRXHYCYYAQCSGJ-UHFFFAOYSA-N 0 1 361.423 3.304 20 5 FGBDMN O=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653111 494373037 /nfs/dbraw/zinc/37/30/37/494373037.db2.gz XRVGFAOMLYBXRA-UHFFFAOYSA-N 0 1 364.283 3.420 20 5 FGBDMN CCOc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055631918 494376498 /nfs/dbraw/zinc/37/64/98/494376498.db2.gz QNAPACGPUWWJSZ-UHFFFAOYSA-N 0 1 354.359 3.242 20 5 FGBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000055638822 494378658 /nfs/dbraw/zinc/37/86/58/494378658.db2.gz UNIREFRRSBIRFK-UHFFFAOYSA-N 0 1 363.395 3.134 20 5 FGBDMN O=C(NCc1ccccc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000016396253 494388764 /nfs/dbraw/zinc/38/87/64/494388764.db2.gz CWENTYFGGTURFK-UHFFFAOYSA-N 0 1 353.422 3.123 20 5 FGBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)N(C)C)c1 ZINC000045196016 494405439 /nfs/dbraw/zinc/40/54/39/494405439.db2.gz GCMIAHVPVIRIJT-OAHLLOKOSA-N 0 1 363.439 3.006 20 5 FGBDMN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056197512 494469330 /nfs/dbraw/zinc/46/93/30/494469330.db2.gz PFUFUMXKRBPZPR-STQMWFEESA-N 0 1 355.394 3.475 20 5 FGBDMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056360307 494494009 /nfs/dbraw/zinc/49/40/09/494494009.db2.gz VHNBKWQZOTYPNQ-WMLDXEAASA-N 0 1 372.425 3.385 20 5 FGBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000021918618 494510559 /nfs/dbraw/zinc/51/05/59/494510559.db2.gz WNTVYWQYHWOCQH-UHFFFAOYSA-N 0 1 357.410 3.454 20 5 FGBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074447763 494539471 /nfs/dbraw/zinc/53/94/71/494539471.db2.gz MRGVUCACTSGQLR-IBGZPJMESA-N 0 1 353.422 3.331 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983106 494544702 /nfs/dbraw/zinc/54/47/02/494544702.db2.gz BAXIVVXYTXRUQZ-UHFFFAOYSA-N 0 1 373.428 3.450 20 5 FGBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccsc1 ZINC000056844821 494575916 /nfs/dbraw/zinc/57/59/16/494575916.db2.gz ZEEACFXDBQXAOP-MRXNPFEDSA-N 0 1 358.423 3.170 20 5 FGBDMN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074808333 494606388 /nfs/dbraw/zinc/60/63/88/494606388.db2.gz PEFAVORSAKSZTQ-QGZVFWFLSA-N 0 1 353.422 3.331 20 5 FGBDMN O=C(NC1(c2nccs2)CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000116226006 494738347 /nfs/dbraw/zinc/73/83/47/494738347.db2.gz AMFBWSHGVLHUTR-UHFFFAOYSA-N 0 1 357.395 3.127 20 5 FGBDMN Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080653854 494754777 /nfs/dbraw/zinc/75/47/77/494754777.db2.gz LQCXKFIDOBVPTK-AWEZNQCLSA-N 0 1 353.850 3.105 20 5 FGBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000025633625 494764501 /nfs/dbraw/zinc/76/45/01/494764501.db2.gz ZHMXOJQVQAZUOX-ZDUSSCGKSA-N 0 1 373.840 3.425 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 ZINC000108726831 494772408 /nfs/dbraw/zinc/77/24/08/494772408.db2.gz UIIQFOFTYHNTQL-KRWDZBQOSA-N 0 1 370.384 3.248 20 5 FGBDMN O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000126610036 494802136 /nfs/dbraw/zinc/80/21/36/494802136.db2.gz XMRMZCSDSBTUAI-OAHLLOKOSA-N 0 1 372.331 3.310 20 5 FGBDMN COc1cc(CN(C)CC(C)(C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093414749 494889183 /nfs/dbraw/zinc/88/91/83/494889183.db2.gz XDJSMBXJHKEUCN-UHFFFAOYSA-N 0 1 374.437 3.385 20 5 FGBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2cnccc21 ZINC000093930961 494936745 /nfs/dbraw/zinc/93/67/45/494936745.db2.gz GOLYPZZQUBVYPY-UHFFFAOYSA-N 0 1 373.390 3.090 20 5 FGBDMN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118369348 494998618 /nfs/dbraw/zinc/99/86/18/494998618.db2.gz QGHVHBOBUQTXBV-BDJLRTHQSA-N 0 1 360.414 3.042 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000128040045 495035314 /nfs/dbraw/zinc/03/53/14/495035314.db2.gz MOKVZXIQWRZKOV-GFCCVEGCSA-N 0 1 369.406 3.419 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000128040045 495035318 /nfs/dbraw/zinc/03/53/18/495035318.db2.gz MOKVZXIQWRZKOV-GFCCVEGCSA-N 0 1 369.406 3.419 20 5 FGBDMN Cc1ccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000128537396 495113219 /nfs/dbraw/zinc/11/32/19/495113219.db2.gz FUMHJOXCKKJVAL-UHFFFAOYSA-N 0 1 360.389 3.426 20 5 FGBDMN O=C1CCc2cc([N+](=O)[O-])c(NCCc3nc4ccc(F)cc4[nH]3)cc2N1 ZINC000128678109 495133965 /nfs/dbraw/zinc/13/39/65/495133965.db2.gz HTPHEEBXXGZWHV-UHFFFAOYSA-N 0 1 369.356 3.150 20 5 FGBDMN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000112187091 495152434 /nfs/dbraw/zinc/15/24/34/495152434.db2.gz YUEXTEXVRIWKEB-UHFFFAOYSA-N 0 1 369.512 3.138 20 5 FGBDMN Cc1[nH]ncc1CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000102786044 495162137 /nfs/dbraw/zinc/16/21/37/495162137.db2.gz DODGYRDDJRYPLI-UHFFFAOYSA-N 0 1 371.422 3.112 20 5 FGBDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000119434081 495166634 /nfs/dbraw/zinc/16/66/34/495166634.db2.gz UMEFBEMYFLOLDO-ZDUSSCGKSA-N 0 1 368.393 3.413 20 5 FGBDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000119434081 495166637 /nfs/dbraw/zinc/16/66/37/495166637.db2.gz UMEFBEMYFLOLDO-ZDUSSCGKSA-N 0 1 368.393 3.413 20 5 FGBDMN CCc1ccc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000568736551 505766010 /nfs/dbraw/zinc/76/60/10/505766010.db2.gz SHIPAHNQUPZDBV-CRAIPNDOSA-N 0 1 358.398 3.133 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000119572938 495193373 /nfs/dbraw/zinc/19/33/73/495193373.db2.gz IEOKRUFOPXOBQQ-CYBMUJFWSA-N 0 1 368.368 3.315 20 5 FGBDMN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000124120508 495237324 /nfs/dbraw/zinc/23/73/24/495237324.db2.gz WWIXDQKLYJABPB-HNNXBMFYSA-N 0 1 358.366 3.255 20 5 FGBDMN CCC(=O)N1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000124297956 495265232 /nfs/dbraw/zinc/26/52/32/495265232.db2.gz CXHLZCBDLAXOOK-UHFFFAOYSA-N 0 1 357.410 3.299 20 5 FGBDMN COc1ccccc1CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104709541 495299316 /nfs/dbraw/zinc/29/93/16/495299316.db2.gz WMZIKHPRRZKWMO-HNNXBMFYSA-N 0 1 371.437 3.413 20 5 FGBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)cn1C ZINC000120169482 495320216 /nfs/dbraw/zinc/32/02/16/495320216.db2.gz VATWBGVPRDEOPU-UHFFFAOYSA-N 0 1 350.806 3.047 20 5 FGBDMN Cn1cc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)cn1 ZINC000120682058 495433704 /nfs/dbraw/zinc/43/37/04/495433704.db2.gz UAPCOBHZMSFWRR-NSHDSACASA-N 0 1 354.332 3.337 20 5 FGBDMN Cc1cccnc1[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000120846252 495470486 /nfs/dbraw/zinc/47/04/86/495470486.db2.gz CKKHEOGQJCSWQJ-LJQANCHMSA-N 0 1 368.437 3.174 20 5 FGBDMN Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC000154237657 495553611 /nfs/dbraw/zinc/55/36/11/495553611.db2.gz CJAPEIFSKYVGCR-ZDUSSCGKSA-N 0 1 360.414 3.370 20 5 FGBDMN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000176245007 495561761 /nfs/dbraw/zinc/56/17/61/495561761.db2.gz YHVABTJXZPSTJV-UHFFFAOYSA-N 0 1 351.834 3.339 20 5 FGBDMN C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173521080 495571354 /nfs/dbraw/zinc/57/13/54/495571354.db2.gz HHAQEHOMKZYWHV-AWEZNQCLSA-N 0 1 359.451 3.393 20 5 FGBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000154399455 495605471 /nfs/dbraw/zinc/60/54/71/495605471.db2.gz OWMSINVHIFENEE-UHFFFAOYSA-N 0 1 363.483 3.407 20 5 FGBDMN C[C@H](C(=O)NCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182544868 495606970 /nfs/dbraw/zinc/60/69/70/495606970.db2.gz VHZLNVZIEOWPNQ-AWEZNQCLSA-N 0 1 371.412 3.012 20 5 FGBDMN COc1cc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc([N+](=O)[O-])c1O ZINC000179497921 495614900 /nfs/dbraw/zinc/61/49/00/495614900.db2.gz IIHBYOXFMYRREX-VMPITWQZSA-N 0 1 359.363 3.168 20 5 FGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000179524552 495628136 /nfs/dbraw/zinc/62/81/36/495628136.db2.gz NPMZVLHKNFRXDV-UHFFFAOYSA-N 0 1 359.363 3.359 20 5 FGBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)CO1 ZINC000173721765 495664222 /nfs/dbraw/zinc/66/42/22/495664222.db2.gz DDKPJLUGQDZXSW-PXAZEXFGSA-N 0 1 366.377 3.073 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000185674303 495673864 /nfs/dbraw/zinc/67/38/64/495673864.db2.gz PELMSCDQXWAHMB-CQSZACIVSA-N 0 1 360.439 3.119 20 5 FGBDMN COc1cc(CNc2nnc(-c3ccc(C)s3)o2)cc([N+](=O)[O-])c1O ZINC000185907131 495774775 /nfs/dbraw/zinc/77/47/75/495774775.db2.gz GPCOSQZGDORHKY-UHFFFAOYSA-N 0 1 362.367 3.341 20 5 FGBDMN CCC[C@@H](NCc1cccnc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000151252587 495785117 /nfs/dbraw/zinc/78/51/17/495785117.db2.gz SANCDDSFHKDNNN-LJQANCHMSA-N 0 1 370.453 3.457 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CSc3nc(-c4cccnc4)n[nH]3)nc2c1 ZINC000176938608 495849393 /nfs/dbraw/zinc/84/93/93/495849393.db2.gz SGRKBUMLELOQLP-UHFFFAOYSA-N 0 1 354.351 3.208 20 5 FGBDMN Cn1ccnc1[C@@H](NC[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878059 505810030 /nfs/dbraw/zinc/81/00/30/505810030.db2.gz HXBFRZSRQRLBSR-MOPGFXCFSA-N 0 1 369.469 3.024 20 5 FGBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000174292648 495897562 /nfs/dbraw/zinc/89/75/62/495897562.db2.gz XRTKFMPBXRYLNZ-UHFFFAOYSA-N 0 1 374.784 3.420 20 5 FGBDMN CN(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000151655749 495908124 /nfs/dbraw/zinc/90/81/24/495908124.db2.gz RYZGVBRPTWZLGO-SFHVURJKSA-N 0 1 359.401 3.086 20 5 FGBDMN CC(C)COC[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180214081 495910828 /nfs/dbraw/zinc/91/08/28/495910828.db2.gz APBQJJBGOIBING-WOJBJXKFSA-N 0 1 358.438 3.307 20 5 FGBDMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000155453791 495961369 /nfs/dbraw/zinc/96/13/69/495961369.db2.gz IGVQINQOISQDNE-HNNXBMFYSA-N 0 1 368.437 3.254 20 5 FGBDMN Cc1nc2n(n1)C[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180409693 495985876 /nfs/dbraw/zinc/98/58/76/495985876.db2.gz KJQROKFKPCHEGV-FXAWDEMLSA-N 0 1 363.421 3.189 20 5 FGBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174506991 495986613 /nfs/dbraw/zinc/98/66/13/495986613.db2.gz ZBXYTZDRIGVCRM-UHFFFAOYSA-N 0 1 374.397 3.061 20 5 FGBDMN COc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180419793 495989566 /nfs/dbraw/zinc/98/95/66/495989566.db2.gz BDDPGQJGQCUPRB-AWEZNQCLSA-N 0 1 369.421 3.233 20 5 FGBDMN CCCOc1ccc(CNC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180423183 495991070 /nfs/dbraw/zinc/99/10/70/495991070.db2.gz YRWRBHPUVSITAZ-HNNXBMFYSA-N 0 1 371.437 3.351 20 5 FGBDMN Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000180424243 495991252 /nfs/dbraw/zinc/99/12/52/495991252.db2.gz VYQAEALTBLMJDR-AWEZNQCLSA-N 0 1 370.409 3.211 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000171803949 496042906 /nfs/dbraw/zinc/04/29/06/496042906.db2.gz QGZQPYDVCDCAFK-UHFFFAOYSA-N 0 1 360.389 3.114 20 5 FGBDMN Cn1c2ccccc2nc1C(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000186580906 496055721 /nfs/dbraw/zinc/05/57/21/496055721.db2.gz DGEQXGSVPWYJFY-UHFFFAOYSA-N 0 1 354.410 3.385 20 5 FGBDMN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3ccccc3F)ccc2c1 ZINC000186607492 496070510 /nfs/dbraw/zinc/07/05/10/496070510.db2.gz INKNAGKGACZOKW-UHFFFAOYSA-N 0 1 361.354 3.224 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174719319 496075700 /nfs/dbraw/zinc/07/57/00/496075700.db2.gz NAQFQAGGTKRQBG-LBPRGKRZSA-N 0 1 360.439 3.135 20 5 FGBDMN CCNC(=O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000571826175 505822702 /nfs/dbraw/zinc/82/27/02/505822702.db2.gz KFLYCFVYYVLWGZ-MRXNPFEDSA-N 0 1 363.458 3.263 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3Cc4ccccc4[C@H]3O)cs2)c1 ZINC000172068323 496150245 /nfs/dbraw/zinc/15/02/45/496150245.db2.gz FZBHQAIUSYMJRN-QZTJIDSGSA-N 0 1 367.430 3.466 20 5 FGBDMN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183912373 496159291 /nfs/dbraw/zinc/15/92/91/496159291.db2.gz SSRRAXYIDYIADO-OAHLLOKOSA-N 0 1 355.394 3.151 20 5 FGBDMN O=C(NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059820 496309637 /nfs/dbraw/zinc/30/96/37/496309637.db2.gz NLVGFKWXRWIWIL-KRWDZBQOSA-N 0 1 353.422 3.237 20 5 FGBDMN Cc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000153704512 496551255 /nfs/dbraw/zinc/55/12/55/496551255.db2.gz NIDTUJWMXXMFBI-ZDUSSCGKSA-N 0 1 370.413 3.310 20 5 FGBDMN COCCOc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178728998 496553265 /nfs/dbraw/zinc/55/32/65/496553265.db2.gz YDKGOGJZJWJTOT-AWEZNQCLSA-N 0 1 360.410 3.479 20 5 FGBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000181862280 496576418 /nfs/dbraw/zinc/57/64/18/496576418.db2.gz LFGWOTIKNKCYMC-HNNXBMFYSA-N 0 1 368.437 3.484 20 5 FGBDMN Cc1cccc(C)c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000181888006 496587038 /nfs/dbraw/zinc/58/70/38/496587038.db2.gz JBACHRDOHUMFCA-UHFFFAOYSA-N 0 1 351.366 3.178 20 5 FGBDMN Cc1cccc(C2=CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182344783 496730543 /nfs/dbraw/zinc/73/05/43/496730543.db2.gz OKNLHDPFKRXAJM-LJQANCHMSA-N 0 1 368.433 3.432 20 5 FGBDMN Cc1c([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cccc1[N+](=O)[O-] ZINC000273281660 496762277 /nfs/dbraw/zinc/76/22/77/496762277.db2.gz QNCQWCCXUVCQIN-CRAIPNDOSA-N 0 1 368.437 3.140 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277729847 496867437 /nfs/dbraw/zinc/86/74/37/496867437.db2.gz GFNNYRIHVQKZAL-QWRGUYRKSA-N 0 1 363.443 3.196 20 5 FGBDMN Cc1nc(C)c([C@H](C)N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)s1 ZINC000264394889 496890788 /nfs/dbraw/zinc/89/07/88/496890788.db2.gz GKNHYHYBNYVBPS-VIFPVBQESA-N 0 1 359.411 3.378 20 5 FGBDMN Cc1[nH]nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc12 ZINC000191798826 496893388 /nfs/dbraw/zinc/89/33/88/496893388.db2.gz OHSULWDZHABXFF-UHFFFAOYSA-N 0 1 360.395 3.197 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3C)C2=O)cc1 ZINC000191805047 496896113 /nfs/dbraw/zinc/89/61/13/496896113.db2.gz WICZPYHPOZADII-LJQANCHMSA-N 0 1 353.422 3.102 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1[N+](=O)[O-] ZINC000269357826 496929064 /nfs/dbraw/zinc/92/90/64/496929064.db2.gz IKGDGJAJWUYGDG-UHFFFAOYSA-N 0 1 353.382 3.121 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249684748 497232231 /nfs/dbraw/zinc/23/22/31/497232231.db2.gz LOPZBVDTNDZQBS-TZMCWYRMSA-N 0 1 368.397 3.309 20 5 FGBDMN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000249711323 497235712 /nfs/dbraw/zinc/23/57/12/497235712.db2.gz YLEHGZUVHKRHIZ-APWZRJJASA-N 0 1 369.421 3.087 20 5 FGBDMN Cc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000271291656 497313227 /nfs/dbraw/zinc/31/32/27/497313227.db2.gz MWBLMQKTXLSVOU-HNNXBMFYSA-N 0 1 365.227 3.489 20 5 FGBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)n[nH]1 ZINC000271400718 497338942 /nfs/dbraw/zinc/33/89/42/497338942.db2.gz RMCZHACSXBXJLM-JTQLQIEISA-N 0 1 353.329 3.007 20 5 FGBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)[nH]1 ZINC000271400718 497338946 /nfs/dbraw/zinc/33/89/46/497338946.db2.gz RMCZHACSXBXJLM-JTQLQIEISA-N 0 1 353.329 3.007 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261612653 497418529 /nfs/dbraw/zinc/41/85/29/497418529.db2.gz BJWBPDWYBROMLV-GFCCVEGCSA-N 0 1 351.815 3.096 20 5 FGBDMN Cn1cc(CN2CC(C)(C)OC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191192692 497739242 /nfs/dbraw/zinc/73/92/42/497739242.db2.gz RXAFLUCSCZZWLF-UHFFFAOYSA-N 0 1 358.442 3.385 20 5 FGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292081863 497869803 /nfs/dbraw/zinc/86/98/03/497869803.db2.gz FVXCCCPYDRMAKQ-BBRMVZONSA-N 0 1 372.425 3.454 20 5 FGBDMN C[C@@]12CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1C2(Cl)Cl ZINC000284827638 497914081 /nfs/dbraw/zinc/91/40/81/497914081.db2.gz QERZOQAGZRBQIY-DZGCQCFKSA-N 0 1 373.236 3.477 20 5 FGBDMN COc1cc2c(cc1OC)CN(CCNc1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000301086932 497945335 /nfs/dbraw/zinc/94/53/35/497945335.db2.gz MPLHPUKEUYRKNU-UHFFFAOYSA-N 0 1 371.437 3.391 20 5 FGBDMN C[C@@H]1CN(C(C)(C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301108815 497954857 /nfs/dbraw/zinc/95/48/57/497954857.db2.gz XDWDDRZHCSGNQT-OKILXGFUSA-N 0 1 358.442 3.443 20 5 FGBDMN CCC[C@@]1(CO)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000288948153 497954916 /nfs/dbraw/zinc/95/49/16/497954916.db2.gz XFVKLBRQPYBMDC-SCLBCKFNSA-N 0 1 360.414 3.190 20 5 FGBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000301130044 497965079 /nfs/dbraw/zinc/96/50/79/497965079.db2.gz ZOVUMWGWKDWSNK-QGZVFWFLSA-N 0 1 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498839019 /nfs/dbraw/zinc/83/90/19/498839019.db2.gz LMXPGOVHLQOKIT-UHFFFAOYSA-N 0 1 372.786 3.072 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCSc2ccccc21 ZINC000326537938 498843708 /nfs/dbraw/zinc/84/37/08/498843708.db2.gz JRZIRIORASFHDW-GFCCVEGCSA-N 0 1 368.411 3.249 20 5 FGBDMN Cc1cc(N2CCCC[C@@H]2c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294958795 498862620 /nfs/dbraw/zinc/86/26/20/498862620.db2.gz MTRYCZDSPJYLKD-OAHLLOKOSA-N 0 1 365.397 3.210 20 5 FGBDMN COc1cc(CN2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000363669482 498934659 /nfs/dbraw/zinc/93/46/59/498934659.db2.gz CCROQRIDBFWNIH-ZDUSSCGKSA-N 0 1 374.384 3.248 20 5 FGBDMN O=c1cc(CN2CCC(F)(F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000291656531 499025278 /nfs/dbraw/zinc/02/52/78/499025278.db2.gz FNEKRWGLZZBVSY-HNNXBMFYSA-N 0 1 359.372 3.396 20 5 FGBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000299423221 499054182 /nfs/dbraw/zinc/05/41/82/499054182.db2.gz SGJQTVZDEBKYKZ-QWHCGFSZSA-N 0 1 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/nfs/dbraw/zinc/96/66/03/504966603.db2.gz QQABSZHQHNJZBU-INIZCTEOSA-N 0 1 358.394 3.352 20 5 FGBDMN O=C(CCNCc1cccc(C(F)(F)F)n1)Nc1ccccc1[N+](=O)[O-] ZINC000562998155 505014918 /nfs/dbraw/zinc/01/49/18/505014918.db2.gz AJIDXOKBQCTLDO-UHFFFAOYSA-N 0 1 368.315 3.127 20 5 FGBDMN Cc1ccc2nc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[nH]c2c1 ZINC000553812040 505017135 /nfs/dbraw/zinc/01/71/35/505017135.db2.gz MAFHBEKHNJSGSP-UHFFFAOYSA-N 0 1 362.349 3.218 20 5 FGBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000557590446 505176870 /nfs/dbraw/zinc/17/68/70/505176870.db2.gz YZQNVBBJQRWHPV-OKILXGFUSA-N 0 1 358.442 3.443 20 5 FGBDMN Cc1c(Br)c(N2C[C@H](N3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000557733541 505216980 /nfs/dbraw/zinc/21/69/80/505216980.db2.gz FLANKDAGZSLBGL-CMPLNLGQSA-N 0 1 369.263 3.124 20 5 FGBDMN COCc1nc([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000566707441 505249975 /nfs/dbraw/zinc/24/99/75/505249975.db2.gz SFWNMBBCNJEAFY-CQSZACIVSA-N 0 1 365.821 3.240 20 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368.368 3.184 20 5 FGBDMN Cc1cccc(C(C)(C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000609899074 507044371 /nfs/dbraw/zinc/04/43/71/507044371.db2.gz PSHMLJPYLZKJSV-UHFFFAOYSA-N 0 1 352.387 3.256 20 5 FGBDMN C[C@H]1CN(Cc2ccccc2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609916218 507048608 /nfs/dbraw/zinc/04/86/08/507048608.db2.gz KRJJQBQORMJOLN-KRWDZBQOSA-N 0 1 355.438 3.180 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600673639 507058157 /nfs/dbraw/zinc/05/81/57/507058157.db2.gz GTKSENQCCUDUJN-IXDOHACOSA-N 0 1 362.426 3.457 20 5 FGBDMN CCC(C)(C)N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594389877 507109122 /nfs/dbraw/zinc/10/91/22/507109122.db2.gz PKVQTAXDEDJPCW-CYBMUJFWSA-N 0 1 351.422 3.170 20 5 FGBDMN COc1ccc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1F ZINC000600777783 507116674 /nfs/dbraw/zinc/11/66/74/507116674.db2.gz XNGFYPXVJVVPAV-LBPRGKRZSA-N 0 1 360.341 3.078 20 5 FGBDMN 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SDGASZNWSUSKMD-WBVHZDCISA-N 0 1 362.430 3.024 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C(C)(C)CO)cc1OC ZINC000611662246 506247457 /nfs/dbraw/zinc/24/74/57/506247457.db2.gz DKUBASQDDGBBLN-ZDUSSCGKSA-N 0 1 354.447 3.231 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000454701633 501611443 /nfs/dbraw/zinc/61/14/43/501611443.db2.gz GFOGMYZQCHPEOR-BBRMVZONSA-N 0 1 371.441 3.147 20 5 FGBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000592826574 506265865 /nfs/dbraw/zinc/26/58/65/506265865.db2.gz CPPJFBQJYVKKMZ-LLVKDONJSA-N 0 1 357.414 3.227 20 5 FGBDMN COc1cc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000459782016 501713257 /nfs/dbraw/zinc/71/32/57/501713257.db2.gz XABOTQAXPJMIEK-LBPRGKRZSA-N 0 1 368.430 3.022 20 5 FGBDMN COC(=O)COc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000467183097 501729646 /nfs/dbraw/zinc/72/96/46/501729646.db2.gz QJRFOXPOJVXGJE-CYBMUJFWSA-N 0 1 374.393 3.006 20 5 FGBDMN COC(=O)COc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000474349889 501800339 /nfs/dbraw/zinc/80/03/39/501800339.db2.gz KUVPSIYWEUSNPV-INIZCTEOSA-N 0 1 374.368 3.063 20 5 FGBDMN CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000467469118 501802023 /nfs/dbraw/zinc/80/20/23/501802023.db2.gz ROOCPSBRYRSGBX-UHFFFAOYSA-N 0 1 374.485 3.264 20 5 FGBDMN COC(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000474438547 501837501 /nfs/dbraw/zinc/83/75/01/501837501.db2.gz JATAXIWTDXUIPA-UHFFFAOYSA-N 0 1 368.704 3.132 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000482030077 501952352 /nfs/dbraw/zinc/95/23/52/501952352.db2.gz JGEIKEBFAQLGHE-HOCLYGCPSA-N 0 1 369.421 3.368 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)CC2=O)c1 ZINC000482034067 501954613 /nfs/dbraw/zinc/95/46/13/501954613.db2.gz PTJBBHOQPUKXCM-CABCVRRESA-N 0 1 369.421 3.368 20 5 FGBDMN Cc1nc([C@@H]2CCCN(c3c(Br)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000596161999 506286127 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3.077 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)c1C ZINC000479141857 502174887 /nfs/dbraw/zinc/17/48/87/502174887.db2.gz OOBUXCFXNBLTRG-CYBMUJFWSA-N 0 1 366.361 3.221 20 5 FGBDMN C[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599055727 506298187 /nfs/dbraw/zinc/29/81/87/506298187.db2.gz PBRNZHAPHYMDIH-JSGCOSHPSA-N 0 1 372.450 3.441 20 5 FGBDMN COC(=O)COc1ccc(CN(C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000475576505 502217958 /nfs/dbraw/zinc/21/79/58/502217958.db2.gz UPDRPFNCSOAQSY-UHFFFAOYSA-N 0 1 358.394 3.087 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000483005726 502242882 /nfs/dbraw/zinc/24/28/82/502242882.db2.gz JRDUZJKFGBPGKO-SFHVURJKSA-N 0 1 360.389 3.213 20 5 FGBDMN Cc1cc(NC[C@@H](C)CN2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461954716 502251666 /nfs/dbraw/zinc/25/16/66/502251666.db2.gz DIKRRZWVNFJMLO-LLVKDONJSA-N 0 1 361.364 3.302 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000465467263 502272058 /nfs/dbraw/zinc/27/20/58/502272058.db2.gz ADGMFLSHYJVIGO-UHFFFAOYSA-N 0 1 358.373 3.339 20 5 FGBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000479509597 502281190 /nfs/dbraw/zinc/28/11/90/502281190.db2.gz GWAVZZRLCPUDGS-GJZGRUSLSA-N 0 1 353.422 3.485 20 5 FGBDMN Cc1c(CC(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cccc1[N+](=O)[O-] ZINC000469282293 502360769 /nfs/dbraw/zinc/36/07/69/502360769.db2.gz YTAYXMYTBZGFQC-GOSISDBHSA-N 0 1 369.421 3.470 20 5 FGBDMN CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000487222314 502394796 /nfs/dbraw/zinc/39/47/96/502394796.db2.gz QOEDKZDFZSAINE-CQSZACIVSA-N 0 1 374.363 3.418 20 5 FGBDMN O=C(NC[C@@H]1SCCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000487877567 502554765 /nfs/dbraw/zinc/55/47/65/502554765.db2.gz OHJUOPGOONOJTM-INIZCTEOSA-N 0 1 368.418 3.232 20 5 FGBDMN COc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000476671231 502558340 /nfs/dbraw/zinc/55/83/40/502558340.db2.gz 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364.398 3.472 20 5 FGBDMN Cc1cc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)cc2nc[nH]c21 ZINC000545733692 504578582 /nfs/dbraw/zinc/57/85/82/504578582.db2.gz NXRCRUFPCOYOAX-UHFFFAOYSA-N 0 1 351.322 3.409 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1 ZINC000542727390 504589589 /nfs/dbraw/zinc/58/95/89/504589589.db2.gz HWPCMQTXRYYOOL-UHFFFAOYSA-N 0 1 372.406 3.198 20 5 FGBDMN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559071296 504773995 /nfs/dbraw/zinc/77/39/95/504773995.db2.gz NYRHVIMSLGXBHM-CQSZACIVSA-N 0 1 358.394 3.112 20 5 FGBDMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559071296 504773998 /nfs/dbraw/zinc/77/39/98/504773998.db2.gz NYRHVIMSLGXBHM-CQSZACIVSA-N 0 1 358.394 3.112 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000559249913 504808517 /nfs/dbraw/zinc/80/85/17/504808517.db2.gz ZYAQKCXYGDFCHV-HZPDHXFCSA-N 0 1 374.397 3.262 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000559249914 504808655 /nfs/dbraw/zinc/80/86/55/504808655.db2.gz ZYAQKCXYGDFCHV-JKSUJKDBSA-N 0 1 374.397 3.262 20 5 FGBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000549532307 504843453 /nfs/dbraw/zinc/84/34/53/504843453.db2.gz QSMJDTHAABGWPV-KRWDZBQOSA-N 0 1 365.393 3.423 20 5 FGBDMN Cc1ccccc1C[C@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000562585097 504868908 /nfs/dbraw/zinc/86/89/08/504868908.db2.gz PKBHWOOWJBLFQM-INIZCTEOSA-N 0 1 367.449 3.355 20 5 FGBDMN O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549750680 504888300 /nfs/dbraw/zinc/88/83/00/504888300.db2.gz NEAJXCDMKLOWKC-CQSZACIVSA-N 0 1 355.394 3.151 20 5 FGBDMN CCOc1ccc(NC(=O)CN2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000550078410 504961742 /nfs/dbraw/zinc/96/17/42/504961742.db2.gz AOHUWKARUYXQOD-GOEBONIOSA-N 0 1 361.442 3.443 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(C2CC2)cc1F ZINC000566129866 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/nfs/dbraw/zinc/07/49/72/495074972.db2.gz MQNDNRRKBYOGBX-UHFFFAOYSA-N 0 1 363.439 3.004 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000123316032 495113647 /nfs/dbraw/zinc/11/36/47/495113647.db2.gz XCYYCTXYPSWLAB-UHFFFAOYSA-N 0 1 360.414 3.330 20 5 FGBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000134225919 495124223 /nfs/dbraw/zinc/12/42/23/495124223.db2.gz WOFHTJUNBXGCFT-MRXNPFEDSA-N 0 1 361.373 3.202 20 5 FGBDMN CCOc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119581399 495194870 /nfs/dbraw/zinc/19/48/70/495194870.db2.gz ITOJXPWHYOKRFU-UHFFFAOYSA-N 0 1 370.814 3.125 20 5 FGBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000119668194 495214319 /nfs/dbraw/zinc/21/43/19/495214319.db2.gz LSLONDONPAJFBX-LBPRGKRZSA-N 0 1 359.813 3.488 20 5 FGBDMN CCN1CCN([C@@H]2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000124132652 495238785 /nfs/dbraw/zinc/23/87/85/495238785.db2.gz PSXPXGDIYHDBPW-GFCCVEGCSA-N 0 1 373.284 3.118 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000124357556 495275697 /nfs/dbraw/zinc/27/56/97/495275697.db2.gz AUUBLLFFIYBNMO-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4ccn[nH]4)CC3)o2)c1 ZINC000104681621 495296116 /nfs/dbraw/zinc/29/61/16/495296116.db2.gz PIXCUAFVLSXXQG-UHFFFAOYSA-N 0 1 367.409 3.395 20 5 FGBDMN Cc1sc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114642129 495403244 /nfs/dbraw/zinc/40/32/44/495403244.db2.gz CGGALSOWNNODTF-OAHLLOKOSA-N 0 1 359.451 3.359 20 5 FGBDMN COc1ccc(-c2ccc(CN(C)CCn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000125289389 495419781 /nfs/dbraw/zinc/41/97/81/495419781.db2.gz KQFVVFXLJWPGJN-UHFFFAOYSA-N 0 1 356.382 3.192 20 5 FGBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138626984 495465640 /nfs/dbraw/zinc/46/56/40/495465640.db2.gz OAYCPAIVUZUAGY-UHFFFAOYSA-N 0 1 372.450 3.099 20 5 FGBDMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000131128150 495496042 /nfs/dbraw/zinc/49/60/42/495496042.db2.gz QDOJVZFUYDNOJF-OXQOHEQNSA-N 0 1 367.449 3.479 20 5 FGBDMN Cc1cnc([C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185360357 495548468 /nfs/dbraw/zinc/54/84/68/495548468.db2.gz PQZHNLJJOSJXIN-INIZCTEOSA-N 0 1 360.439 3.429 20 5 FGBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000158608231 495549269 /nfs/dbraw/zinc/54/92/69/495549269.db2.gz RAQKKMMHLMQLTA-LSDHHAIUSA-N 0 1 362.451 3.416 20 5 FGBDMN COc1ccccc1[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000150823341 495646423 /nfs/dbraw/zinc/64/64/23/495646423.db2.gz SHBCJYFOMKPARQ-GFCCVEGCSA-N 0 1 366.377 3.109 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@H]3c3nnc[nH]3)co2)cc1 ZINC000182699232 495667759 /nfs/dbraw/zinc/66/77/59/495667759.db2.gz KNMLSRRKYNFITB-HNNXBMFYSA-N 0 1 354.370 3.095 20 5 FGBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173866670 495725395 /nfs/dbraw/zinc/72/53/95/495725395.db2.gz XIXFOPMUZCRVHM-JKSUJKDBSA-N 0 1 351.472 3.164 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000155013705 495804062 /nfs/dbraw/zinc/80/40/62/495804062.db2.gz DEKCKTMIXWGUGB-UHFFFAOYSA-N 0 1 351.834 3.339 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000171367899 495840241 /nfs/dbraw/zinc/84/02/41/495840241.db2.gz OGLDEKPTNIVFBA-UHFFFAOYSA-N 0 1 356.304 3.171 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000171369982 495841902 /nfs/dbraw/zinc/84/19/02/495841902.db2.gz BAGOADPPWYYOOV-UHFFFAOYSA-N 0 1 372.303 3.051 20 5 FGBDMN COc1ccccc1N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000151549441 495874746 /nfs/dbraw/zinc/87/47/46/495874746.db2.gz DBPIISSAWMLVDX-CJNGLKHVSA-N 0 1 355.394 3.060 20 5 FGBDMN Cc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000180217060 495911387 /nfs/dbraw/zinc/91/13/87/495911387.db2.gz CHXFPCUWPUDZCF-ZDUSSCGKSA-N 0 1 361.348 3.077 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000160341139 495939713 /nfs/dbraw/zinc/93/97/13/495939713.db2.gz JUYJKQJKNNEGQH-UHFFFAOYSA-N 0 1 370.369 3.112 20 5 FGBDMN COc1cccc(F)c1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174415087 495949499 /nfs/dbraw/zinc/94/94/99/495949499.db2.gz UFERJTLTPKXKRD-SECBINFHSA-N 0 1 358.329 3.110 20 5 FGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000155448991 495959820 /nfs/dbraw/zinc/95/98/20/495959820.db2.gz NBFDLIMJESECBP-CYBMUJFWSA-N 0 1 372.400 3.084 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174719330 496075594 /nfs/dbraw/zinc/07/55/94/496075594.db2.gz NAQFQAGGTKRQBG-GFCCVEGCSA-N 0 1 360.439 3.135 20 5 FGBDMN CCOc1cccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000180705324 496110903 /nfs/dbraw/zinc/11/09/03/496110903.db2.gz USOWNUMBVKMPHA-AWEZNQCLSA-N 0 1 357.410 3.307 20 5 FGBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000156238578 496195179 /nfs/dbraw/zinc/19/51/79/496195179.db2.gz NGKBXVAJWCOSPW-HZPDHXFCSA-N 0 1 372.425 3.281 20 5 FGBDMN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1F ZINC000186891964 496198114 /nfs/dbraw/zinc/19/81/14/496198114.db2.gz SSLKIWXTGWLXJD-UHFFFAOYSA-N 0 1 353.781 3.074 20 5 FGBDMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000180922267 496201398 /nfs/dbraw/zinc/20/13/98/496201398.db2.gz POFHRYMFOFHYOO-LIRRHRJNSA-N 0 1 369.421 3.055 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1[N+](=O)[O-] ZINC000175010548 496206174 /nfs/dbraw/zinc/20/61/74/496206174.db2.gz MCCBMPVCJKNFGQ-UHFFFAOYSA-N 0 1 360.391 3.223 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000161667409 496218766 /nfs/dbraw/zinc/21/87/66/496218766.db2.gz RSPIWUZWANDKME-JTQLQIEISA-N 0 1 371.422 3.111 20 5 FGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000187164761 496320746 /nfs/dbraw/zinc/32/07/46/496320746.db2.gz ALVNVPNZCYRLDV-UHFFFAOYSA-N 0 1 360.750 3.197 20 5 FGBDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407511 496377650 /nfs/dbraw/zinc/37/76/50/496377650.db2.gz PDCDICYVOUMRRI-DLUDVSRJSA-N 0 1 362.451 3.404 20 5 FGBDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413894 496380941 /nfs/dbraw/zinc/38/09/41/496380941.db2.gz FAQQFVJWVWCSHL-HWRSSNJWSA-N 0 1 362.451 3.404 20 5 FGBDMN Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181458375 496405232 /nfs/dbraw/zinc/40/52/32/496405232.db2.gz UQISIQCURPQCQE-CQSZACIVSA-N 0 1 364.409 3.322 20 5 FGBDMN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2ccccc2)cs1 ZINC000184538515 496428841 /nfs/dbraw/zinc/42/88/41/496428841.db2.gz KKPFMOAHXAESTC-CYBMUJFWSA-N 0 1 370.434 3.231 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000162980502 496443826 /nfs/dbraw/zinc/44/38/26/496443826.db2.gz OHZIRDBQNRJEJB-KRWDZBQOSA-N 0 1 360.389 3.467 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000153472006 496466862 /nfs/dbraw/zinc/46/68/62/496466862.db2.gz LQDPALDKDBOMKF-INIZCTEOSA-N 0 1 362.813 3.046 20 5 FGBDMN CCn1nc(C)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000181723744 496518834 /nfs/dbraw/zinc/51/88/34/496518834.db2.gz GMYBNVZBMMFRKO-UHFFFAOYSA-N 0 1 372.834 3.191 20 5 FGBDMN CCOc1cccc(NCc2n[nH]c(COc3ccccc3)n2)c1[N+](=O)[O-] ZINC000184778120 496529571 /nfs/dbraw/zinc/52/95/71/496529571.db2.gz VJYSGZOFGLDLEK-UHFFFAOYSA-N 0 1 369.381 3.303 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000157732768 496540518 /nfs/dbraw/zinc/54/05/18/496540518.db2.gz HFWWEHVNLXJBRD-HZPDHXFCSA-N 0 1 370.453 3.374 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000178687583 496541053 /nfs/dbraw/zinc/54/10/53/496541053.db2.gz ZMGXYZHNUOABNK-KBPBESRZSA-N 0 1 359.430 3.358 20 5 FGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000163705022 496548793 /nfs/dbraw/zinc/54/87/93/496548793.db2.gz UNLMSUMYALGNHW-AWEZNQCLSA-N 0 1 369.425 3.337 20 5 FGBDMN COCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181809500 496553565 /nfs/dbraw/zinc/55/35/65/496553565.db2.gz QQANHAJPHTZUBC-HNNXBMFYSA-N 0 1 371.437 3.017 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000153715411 496554962 /nfs/dbraw/zinc/55/49/62/496554962.db2.gz IYCPGPALYHTGKD-WOJBJXKFSA-N 0 1 356.422 3.074 20 5 FGBDMN COc1ccccc1[C@H](C)NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835024 496566641 /nfs/dbraw/zinc/56/66/41/496566641.db2.gz KKPVWJPZIFXQLX-GJZGRUSLSA-N 0 1 371.437 3.440 20 5 FGBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000181862301 496576521 /nfs/dbraw/zinc/57/65/21/496576521.db2.gz LFGWOTIKNKCYMC-OAHLLOKOSA-N 0 1 368.437 3.484 20 5 FGBDMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000153831542 496594978 /nfs/dbraw/zinc/59/49/78/496594978.db2.gz NZRJFEDVEKUBAL-UHFFFAOYSA-N 0 1 363.439 3.237 20 5 FGBDMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181917053 496598914 /nfs/dbraw/zinc/59/89/14/496598914.db2.gz OGPNDBJHVSNEIR-CPUCHLNUSA-N 0 1 352.456 3.022 20 5 FGBDMN CNC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000178951729 496627408 /nfs/dbraw/zinc/62/74/08/496627408.db2.gz JPRHEVDXKFAMRB-INIZCTEOSA-N 0 1 365.817 3.368 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ncc(C)s1 ZINC000185039540 496632610 /nfs/dbraw/zinc/63/26/10/496632610.db2.gz MKAKYVAOACFTPT-NSHDSACASA-N 0 1 364.427 3.048 20 5 FGBDMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1cccc([N+](=O)[O-])c1 ZINC000176060323 496665956 /nfs/dbraw/zinc/66/59/56/496665956.db2.gz MYOISECWPXKNGL-ZETCQYMHSA-N 0 1 356.454 3.078 20 5 FGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 ZINC000173392170 496672223 /nfs/dbraw/zinc/67/22/23/496672223.db2.gz ZEFGJRJJTLMWHK-LSDHHAIUSA-N 0 1 353.422 3.219 20 5 FGBDMN CC[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185270360 496721924 /nfs/dbraw/zinc/72/19/24/496721924.db2.gz KFMQUKYSXOTJMT-SFHVURJKSA-N 0 1 374.416 3.206 20 5 FGBDMN C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000247171454 496798395 /nfs/dbraw/zinc/79/83/95/496798395.db2.gz URQGQCTUEOKATP-HUUCEWRRSA-N 0 1 356.426 3.066 20 5 FGBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000273450597 496808830 /nfs/dbraw/zinc/80/88/30/496808830.db2.gz CESQOBBSRJVKHL-ACCUITESSA-N 0 1 354.410 3.436 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269006146 496846853 /nfs/dbraw/zinc/84/68/53/496846853.db2.gz RQWKDTLRTZPUAP-LLVKDONJSA-N 0 1 354.288 3.144 20 5 FGBDMN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247966383 496934481 /nfs/dbraw/zinc/93/44/81/496934481.db2.gz DRGQCPNOGVJVNS-DLBZAZTESA-N 0 1 359.813 3.423 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ncc(C)s3)CC2)c1[N+](=O)[O-] ZINC000277944722 496945624 /nfs/dbraw/zinc/94/56/24/496945624.db2.gz IGFNFSXSMZWMQH-UHFFFAOYSA-N 0 1 363.443 3.055 20 5 FGBDMN C[C@H]1CN(Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000195509213 496946881 /nfs/dbraw/zinc/94/68/81/496946881.db2.gz HWLXYAOQNYZCLH-STQMWFEESA-N 0 1 362.455 3.273 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269568971 496972106 /nfs/dbraw/zinc/97/21/06/496972106.db2.gz GKKHFIWKGNMBSO-GFCCVEGCSA-N 0 1 354.288 3.144 20 5 FGBDMN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000189086834 497003447 /nfs/dbraw/zinc/00/34/47/497003447.db2.gz VFHKTKRKKOEIFW-KXBFYZLASA-N 0 1 353.422 3.355 20 5 FGBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000248474274 497022449 /nfs/dbraw/zinc/02/24/49/497022449.db2.gz LQWZPJZYGAQBGG-HUUCEWRRSA-N 0 1 361.442 3.027 20 5 FGBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1 ZINC000236634444 497124290 /nfs/dbraw/zinc/12/42/90/497124290.db2.gz JOAKBVWJYLKRHP-UHFFFAOYSA-N 0 1 364.199 3.086 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)n2)c1 ZINC000278495895 497133959 /nfs/dbraw/zinc/13/39/59/497133959.db2.gz ADAWATHHCLGJBA-USXIJHARSA-N 0 1 370.409 3.082 20 5 FGBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000192596080 497159421 /nfs/dbraw/zinc/15/94/21/497159421.db2.gz JZZXGSZJUBMDGB-UHFFFAOYSA-N 0 1 355.335 3.440 20 5 FGBDMN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000189696371 497214917 /nfs/dbraw/zinc/21/49/17/497214917.db2.gz CVAPQLOTNBZUSQ-UHFFFAOYSA-N 0 1 356.304 3.088 20 5 FGBDMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000192872389 497234090 /nfs/dbraw/zinc/23/40/90/497234090.db2.gz IGMKSBKJLHUSER-OLZOCXBDSA-N 0 1 370.409 3.231 20 5 FGBDMN COCCc1nc(C)c([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000271273849 497309098 /nfs/dbraw/zinc/30/90/98/497309098.db2.gz BBYNAGQUFBIKCO-LLVKDONJSA-N 0 1 365.455 3.408 20 5 FGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(CC(C)C)s1 ZINC000279146328 497348745 /nfs/dbraw/zinc/34/87/45/497348745.db2.gz AIFJXUIPUUFGJD-UHFFFAOYSA-N 0 1 350.400 3.296 20 5 FGBDMN COc1ccccc1/C=C\CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000255394119 497366832 /nfs/dbraw/zinc/36/68/32/497366832.db2.gz FXOKABGTQRLWDX-DQOPKJQZSA-N 0 1 354.410 3.198 20 5 FGBDMN COC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000578278146 505903029 /nfs/dbraw/zinc/90/30/29/505903029.db2.gz YMFOTMRKKUYWNK-LJQANCHMSA-N 0 1 358.394 3.172 20 5 FGBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000193487000 497393209 /nfs/dbraw/zinc/39/32/09/497393209.db2.gz YRKGPMLBFCGEAO-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN CN1CC[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000275984277 497475041 /nfs/dbraw/zinc/47/50/41/497475041.db2.gz PJMFDPULYKCYQS-VBKZILBWSA-N 0 1 361.445 3.260 20 5 FGBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261918231 497476023 /nfs/dbraw/zinc/47/60/23/497476023.db2.gz YKCPSWLMQGHCPW-ZDUSSCGKSA-N 0 1 351.815 3.096 20 5 FGBDMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263109554 497707575 /nfs/dbraw/zinc/70/75/75/497707575.db2.gz YKQCPEJHSGTHQP-IAQYHMDHSA-N 0 1 361.423 3.403 20 5 FGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c1 ZINC000194624517 497721759 /nfs/dbraw/zinc/72/17/59/497721759.db2.gz BXKRTKDHRLIMJA-UHFFFAOYSA-N 0 1 363.395 3.112 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000194769918 497766010 /nfs/dbraw/zinc/76/60/10/497766010.db2.gz MFLXKUKGFQQOTQ-UHFFFAOYSA-N 0 1 354.366 3.075 20 5 FGBDMN CCOc1ccnc(N2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000246743284 497806987 /nfs/dbraw/zinc/80/69/87/497806987.db2.gz GVAWDGXTQNBCPQ-OAHLLOKOSA-N 0 1 371.441 3.057 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000569489226 505947470 /nfs/dbraw/zinc/94/74/70/505947470.db2.gz RGJKIGZIANFZKP-RDTXWAMCSA-N 0 1 370.409 3.016 20 5 FGBDMN COc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 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ZZXXOTXWLKTOSN-CQSZACIVSA-N 0 1 350.382 3.425 20 5 FGBDMN Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000301858301 498297502 /nfs/dbraw/zinc/29/75/02/498297502.db2.gz ZZXXOTXWLKTOSN-CQSZACIVSA-N 0 1 350.382 3.425 20 5 FGBDMN CCN1CCN([C@@H](C)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302014527 498368369 /nfs/dbraw/zinc/36/83/69/498368369.db2.gz DYOHRTQOGVRCIE-NSHDSACASA-N 0 1 361.273 3.340 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000331792572 498455995 /nfs/dbraw/zinc/45/59/95/498455995.db2.gz KFNHXGONXIEASM-UHFFFAOYSA-N 0 1 363.443 3.049 20 5 FGBDMN COc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000293712364 498463587 /nfs/dbraw/zinc/46/35/87/498463587.db2.gz LZJBRMFOZXZOMR-LLVKDONJSA-N 0 1 361.398 3.054 20 5 FGBDMN COc1ccnc(N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000302804484 498581451 /nfs/dbraw/zinc/58/14/51/498581451.db2.gz FDRRFLWSDOSIPX-UHFFFAOYSA-N 0 1 362.817 3.287 20 5 FGBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332510080 498706900 /nfs/dbraw/zinc/70/69/00/498706900.db2.gz JKHZQIMKINJVSE-AAEUAGOBSA-N 0 1 371.359 3.312 20 5 FGBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612359 498742494 /nfs/dbraw/zinc/74/24/94/498742494.db2.gz QDCCQTDFDSQSLH-DGCLKSJQSA-N 0 1 352.822 3.339 20 5 FGBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000332616811 498743619 /nfs/dbraw/zinc/74/36/19/498743619.db2.gz QFADRKKYNOOGFY-ZFWWWQNUSA-N 0 1 363.433 3.097 20 5 FGBDMN CC(C)COC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294625145 498752435 /nfs/dbraw/zinc/75/24/35/498752435.db2.gz YFXOPWAEENLNQN-UHFFFAOYSA-N 0 1 372.425 3.262 20 5 FGBDMN Cc1nc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc2ccccc12 ZINC000581923916 506090212 /nfs/dbraw/zinc/09/02/12/506090212.db2.gz ZFEFEJYVEXSELQ-SJORKVTESA-N 0 1 366.425 3.316 20 5 FGBDMN CC(C)(CCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[N+](=O)[O-] ZINC000294747515 498791504 /nfs/dbraw/zinc/79/15/04/498791504.db2.gz XESWICLRBWXJQO-UHFFFAOYSA-N 0 1 353.382 3.399 20 5 FGBDMN O=C([O-])[C@@H](CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000570106632 506091707 /nfs/dbraw/zinc/09/17/07/506091707.db2.gz FURZMJFJIWIBJG-KRWDZBQOSA-N 0 1 356.378 3.048 20 5 FGBDMN CC(C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000327559330 498860263 /nfs/dbraw/zinc/86/02/63/498860263.db2.gz CPRUUXMKHHRFET-INIZCTEOSA-N 0 1 356.417 3.216 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@@H](CO)C3)o2)cc1 ZINC000291247219 498861820 /nfs/dbraw/zinc/86/18/20/498861820.db2.gz LSAYDECDLRQLAD-CYBMUJFWSA-N 0 1 352.337 3.304 20 5 FGBDMN COC[C@]1(C)CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000295089539 498906001 /nfs/dbraw/zinc/90/60/01/498906001.db2.gz JDBVZRXZQFXSEF-MRXNPFEDSA-N 0 1 360.357 3.063 20 5 FGBDMN Cc1cc([C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000283517803 498910746 /nfs/dbraw/zinc/91/07/46/498910746.db2.gz LIXOFBVNWSIBDU-CQSZACIVSA-N 0 1 369.425 3.220 20 5 FGBDMN Cc1ccc(CN2CCC(C(=O)Nc3ncccc3C)CC2)cc1[N+](=O)[O-] ZINC000367226544 499165013 /nfs/dbraw/zinc/16/50/13/499165013.db2.gz MVJNILCRMNEQBV-UHFFFAOYSA-N 0 1 368.437 3.457 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000372856545 499185215 /nfs/dbraw/zinc/18/52/15/499185215.db2.gz DSZJDOLWWTWFIX-UHFFFAOYSA-N 0 1 353.378 3.334 20 5 FGBDMN C[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000368059477 499260709 /nfs/dbraw/zinc/26/07/09/499260709.db2.gz RFDHFCCEIIBJDD-AEFFLSMTSA-N 0 1 356.382 3.038 20 5 FGBDMN Cc1ncc(CN2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000369591771 499423809 /nfs/dbraw/zinc/42/38/09/499423809.db2.gz NYGXBRZJVNIDKX-MLGOLLRUSA-N 0 1 361.471 3.386 20 5 FGBDMN O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000373581486 499478034 /nfs/dbraw/zinc/47/80/34/499478034.db2.gz FHYURZIHPCKGGR-ZDUSSCGKSA-N 0 1 352.341 3.230 20 5 FGBDMN CCOc1cc(CN2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000375435383 499518650 /nfs/dbraw/zinc/51/86/50/499518650.db2.gz HONBLLHELKZVHN-UHFFFAOYSA-N 0 1 364.442 3.154 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000375723584 499548992 /nfs/dbraw/zinc/54/89/92/499548992.db2.gz GDSUKYYHJXLGGY-UHFFFAOYSA-N 0 1 359.451 3.359 20 5 FGBDMN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000411177791 499707168 /nfs/dbraw/zinc/70/71/68/499707168.db2.gz ZJBVVODPHHZKJD-OAHLLOKOSA-N 0 1 374.397 3.066 20 5 FGBDMN Cc1nc([C@H]2CCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000377844731 499741388 /nfs/dbraw/zinc/74/13/88/499741388.db2.gz YRFNMUHCRQSNHW-GFCCVEGCSA-N 0 1 364.793 3.434 20 5 FGBDMN CN(CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000412161103 499829010 /nfs/dbraw/zinc/82/90/10/499829010.db2.gz LEBSMIBEGZJTJL-RBUKOAKNSA-N 0 1 371.412 3.086 20 5 FGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000412661464 499873489 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ZINC000445091496 500942836 /nfs/dbraw/zinc/94/28/36/500942836.db2.gz LNDUVPWVTZDSCI-UHFFFAOYSA-N 0 1 359.430 3.265 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000445580500 501005571 /nfs/dbraw/zinc/00/55/71/501005571.db2.gz WHZXGIQHHRTFGT-UHFFFAOYSA-N 0 1 371.744 3.089 20 5 FGBDMN COC(=O)COc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1[N+](=O)[O-] ZINC000435679763 501010190 /nfs/dbraw/zinc/01/01/90/501010190.db2.gz ACUUQIJWZCCISJ-UHFFFAOYSA-N 0 1 373.390 3.412 20 5 FGBDMN CCN1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000449516633 501023583 /nfs/dbraw/zinc/02/35/83/501023583.db2.gz GZIZVCHRGQGCJL-NSHDSACASA-N 0 1 363.801 3.219 20 5 FGBDMN CCOc1ccc(NC(=O)CN[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000445811673 501035368 /nfs/dbraw/zinc/03/53/68/501035368.db2.gz SSGLVOZCJTYRJH-IBGZPJMESA-N 0 1 370.409 3.068 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647186 501049739 /nfs/dbraw/zinc/04/97/39/501049739.db2.gz PKNSMRFUFBCBFA-LSDHHAIUSA-N 0 1 353.422 3.359 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCn3c(cc4c3cccc4Cl)C2)c1[N+](=O)[O-] ZINC000446519590 501128546 /nfs/dbraw/zinc/12/85/46/501128546.db2.gz VFWLOBNDEQGHQE-UHFFFAOYSA-N 0 1 373.800 3.144 20 5 FGBDMN CC(=O)c1ccc(O)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000436878100 501226218 /nfs/dbraw/zinc/22/62/18/501226218.db2.gz ROUKFVJBLXBHKP-UHFFFAOYSA-N 0 1 357.366 3.334 20 5 FGBDMN CO[C@H](CS(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000450955552 501234809 /nfs/dbraw/zinc/23/48/09/501234809.db2.gz FSSTVWKMSMQVKG-MRXNPFEDSA-N 0 1 350.396 3.033 20 5 FGBDMN CO[C@H](CS(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccccc1 ZINC000451002355 501238205 /nfs/dbraw/zinc/23/82/05/501238205.db2.gz CJBWIUMHTBYADF-QGZVFWFLSA-N 0 1 364.423 3.341 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000451339042 501269565 /nfs/dbraw/zinc/26/95/65/501269565.db2.gz IAMFZFXXYWZHDZ-GVDBMIGSSA-N 0 1 372.425 3.160 20 5 FGBDMN CCc1ccc([C@H](NC[C@H]2CCOC[C@@H]2OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453312653 501313244 /nfs/dbraw/zinc/31/32/44/501313244.db2.gz HDUSQKVBDVMGDV-UIAACRFSSA-N 0 1 374.437 3.481 20 5 FGBDMN CCO[C@@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451550580 501320902 /nfs/dbraw/zinc/32/09/02/501320902.db2.gz XAWPDOJZRCCTBV-WOSRLPQWSA-N 0 1 360.414 3.453 20 5 FGBDMN CC(C)[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CO)C(C)C ZINC000451600528 501334344 /nfs/dbraw/zinc/33/43/44/501334344.db2.gz SDGASZNWSUSKMD-DOTOQJQBSA-N 0 1 362.430 3.024 20 5 FGBDMN CC(C)(C)c1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000458031641 501359852 /nfs/dbraw/zinc/35/98/52/501359852.db2.gz KQGDBXRBDRFUMI-UHFFFAOYSA-N 0 1 359.411 3.155 20 5 FGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452172359 501452668 /nfs/dbraw/zinc/45/26/68/501452668.db2.gz WJXNNKAWMAWULL-UONOGXRCSA-N 0 1 363.483 3.018 20 5 FGBDMN C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 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SXXXSGWIRXOSNP-UHFFFAOYSA-N 0 1 357.414 3.026 20 5 FGBDMN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000485195152 501752550 /nfs/dbraw/zinc/75/25/50/501752550.db2.gz PLZBGMOMXOXSDL-GHMZBOCLSA-N 0 1 357.252 3.427 20 5 FGBDMN C[C@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000485195154 501752745 /nfs/dbraw/zinc/75/27/45/501752745.db2.gz PLZBGMOMXOXSDL-QWRGUYRKSA-N 0 1 357.252 3.427 20 5 FGBDMN Cc1ccc(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000485383901 501804624 /nfs/dbraw/zinc/80/46/24/501804624.db2.gz FSSSAJMHNZIZEH-UHFFFAOYSA-N 0 1 350.334 3.110 20 5 FGBDMN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000485383901 501804630 /nfs/dbraw/zinc/80/46/30/501804630.db2.gz FSSSAJMHNZIZEH-UHFFFAOYSA-N 0 1 350.334 3.110 20 5 FGBDMN COc1cc(CN(C)Cc2ccccc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000485741603 501921524 /nfs/dbraw/zinc/92/15/24/501921524.db2.gz ZGFRXKTYWGDGHJ-UHFFFAOYSA-N 0 1 371.437 3.072 20 5 FGBDMN CNC(=O)C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482081717 501968261 /nfs/dbraw/zinc/96/82/61/501968261.db2.gz ZUSNAUKJIJNEFF-RBUKOAKNSA-N 0 1 353.422 3.439 20 5 FGBDMN CNC(=O)C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482081716 501969002 /nfs/dbraw/zinc/96/90/02/501969002.db2.gz ZUSNAUKJIJNEFF-OALUTQOASA-N 0 1 353.422 3.439 20 5 FGBDMN CCC[C@@H]1[C@H](C)CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464743681 502079634 /nfs/dbraw/zinc/07/96/34/502079634.db2.gz ZZHVPPLHFDBLJT-TZMCWYRMSA-N 0 1 363.414 3.163 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c1[N+](=O)[O-] ZINC000461713085 502175926 /nfs/dbraw/zinc/17/59/26/502175926.db2.gz RTMIRMVIAYVSCK-HNNXBMFYSA-N 0 1 356.426 3.455 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000486569904 502193583 /nfs/dbraw/zinc/19/35/83/502193583.db2.gz AKXIPUGWCQZDTD-UHFFFAOYSA-N 0 1 372.786 3.066 20 5 FGBDMN Cc1cc(NC[C@H](C)CN2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461954717 502252406 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FGBDMN Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1C ZINC000487203802 502388958 /nfs/dbraw/zinc/38/89/58/502388958.db2.gz LWGHYKWSZNYMBV-UHFFFAOYSA-N 0 1 353.378 3.152 20 5 FGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000602826515 506314669 /nfs/dbraw/zinc/31/46/69/506314669.db2.gz GZVZSWLIZAVXHT-INIZCTEOSA-N 0 1 354.414 3.122 20 5 FGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000476697695 502566249 /nfs/dbraw/zinc/56/62/49/502566249.db2.gz XMYIGTWRLSKGBV-KRWDZBQOSA-N 0 1 358.394 3.020 20 5 FGBDMN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(Br)cccc1[N+](=O)[O-] ZINC000596230440 506321406 /nfs/dbraw/zinc/32/14/06/506321406.db2.gz AXKXSJHCSMWHDH-VXGBXAGGSA-N 0 1 354.248 3.420 20 5 FGBDMN COc1ccccc1[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N(C)C ZINC000487933363 502571455 /nfs/dbraw/zinc/57/14/55/502571455.db2.gz MCHXLMUNQSWSSE-QGZVFWFLSA-N 0 1 366.421 3.288 20 5 FGBDMN CCC1CCC(N(CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000488185472 502650862 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COc1cccc2c1CC[C@]2(CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895635361 742435637 /nfs/dbraw/zinc/43/56/37/742435637.db2.gz SVINUVNROSXWGE-GOSISDBHSA-N 0 1 362.813 3.180 20 5 FGBDMN Cc1cc(NCc2nc3c(s2)COCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000896541984 742563656 /nfs/dbraw/zinc/56/36/56/742563656.db2.gz CNABKTUBYGBQSS-UHFFFAOYSA-N 0 1 356.407 3.015 20 5 FGBDMN COc1cc([C@H](C)NCc2cnn(CC(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000903111826 743806261 /nfs/dbraw/zinc/80/62/61/743806261.db2.gz CMNDKESDLOSJPI-JTQLQIEISA-N 0 1 358.320 3.213 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905748789 744051933 /nfs/dbraw/zinc/05/19/33/744051933.db2.gz JKSXPQFNJUEJME-LBPRGKRZSA-N 0 1 361.423 3.356 20 5 FGBDMN O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)c1cccs1 ZINC000916957868 758156589 /nfs/dbraw/zinc/15/65/89/758156589.db2.gz AORPECAGBJQCRJ-UHFFFAOYSA-N 0 1 357.347 3.456 20 5 FGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714513 761461924 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20 5 FGBDMN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007060332 493998139 /nfs/dbraw/zinc/99/81/39/493998139.db2.gz GCAMXEFYWPLEEY-UHFFFAOYSA-N 0 1 355.803 3.115 20 5 FGBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169284 494001580 /nfs/dbraw/zinc/00/15/80/494001580.db2.gz GMTOGCVIOIOTMH-ZIAGYGMSSA-N 0 1 374.441 3.253 20 5 FGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071028163 494080826 /nfs/dbraw/zinc/08/08/26/494080826.db2.gz DZIHGCFXCLAZFG-GFCCVEGCSA-N 0 1 369.406 3.295 20 5 FGBDMN COc1cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc([N+](=O)[O-])c1O ZINC000054440121 494236181 /nfs/dbraw/zinc/23/61/81/494236181.db2.gz BXMVSVRNTZBGAV-HNNXBMFYSA-N 0 1 363.757 3.159 20 5 FGBDMN COc1ncccc1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000577327976 505706644 /nfs/dbraw/zinc/70/66/44/505706644.db2.gz OPNWTZDZAORWDT-UHFFFAOYSA-N 0 1 370.434 3.454 20 5 FGBDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072838408 494261381 /nfs/dbraw/zinc/26/13/81/494261381.db2.gz KHZRWPKDVNRFBJ-TZMCWYRMSA-N 0 1 367.471 3.148 20 5 FGBDMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072838240 494261774 /nfs/dbraw/zinc/26/17/74/494261774.db2.gz UEISUBFZQFQVLI-KBPBESRZSA-N 0 1 351.472 3.448 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000043122365 494266146 /nfs/dbraw/zinc/26/61/46/494266146.db2.gz ZPEPCWLZTBQLLQ-AWEZNQCLSA-N 0 1 364.427 3.089 20 5 FGBDMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072901773 494279569 /nfs/dbraw/zinc/27/95/69/494279569.db2.gz XGNKWLGGQCZGSU-LBPRGKRZSA-N 0 1 355.460 3.005 20 5 FGBDMN Cc1ccnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1[N+](=O)[O-] ZINC000078343398 494282658 /nfs/dbraw/zinc/28/26/58/494282658.db2.gz SDIVNRPULYBJNV-UHFFFAOYSA-N 0 1 355.320 3.424 20 5 FGBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066474640 494341389 /nfs/dbraw/zinc/34/13/89/494341389.db2.gz RVSQYWVSCRZYHF-ZBFHGGJFSA-N 0 1 363.458 3.120 20 5 FGBDMN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000017909197 494419513 /nfs/dbraw/zinc/41/95/13/494419513.db2.gz BZZKOZQDRVBAHA-LJQANCHMSA-N 0 1 369.421 3.170 20 5 FGBDMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196285 494469340 /nfs/dbraw/zinc/46/93/40/494469340.db2.gz WCXLONYTQQYGQJ-STQMWFEESA-N 0 1 370.409 3.231 20 5 FGBDMN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551291 494481357 /nfs/dbraw/zinc/48/13/57/494481357.db2.gz PMPWDXTYUKTJST-YOEHRIQHSA-N 0 1 359.426 3.385 20 5 FGBDMN C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C[C@H](C)O1 ZINC000079882422 494542346 /nfs/dbraw/zinc/54/23/46/494542346.db2.gz KKFNQDLRXRSLQB-GJZGRUSLSA-N 0 1 356.426 3.211 20 5 FGBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C[C@@H](C)O1 ZINC000079882427 494542610 /nfs/dbraw/zinc/54/26/10/494542610.db2.gz KKFNQDLRXRSLQB-HUUCEWRRSA-N 0 1 356.426 3.211 20 5 FGBDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092705438 494715809 /nfs/dbraw/zinc/71/58/09/494715809.db2.gz OSHJFUXZNFHXGY-CQSZACIVSA-N 0 1 357.410 3.345 20 5 FGBDMN Cc1c(NC(=O)CCN2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091895622 494716815 /nfs/dbraw/zinc/71/68/15/494716815.db2.gz QBTIVYLTUHYLAN-UHFFFAOYSA-N 0 1 357.385 3.429 20 5 FGBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C)cn2)CC1 ZINC000080595941 494741389 /nfs/dbraw/zinc/74/13/89/494741389.db2.gz PWTBXJGXMXCMQO-UHFFFAOYSA-N 0 1 355.442 3.052 20 5 FGBDMN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025460865 494744769 /nfs/dbraw/zinc/74/47/69/494744769.db2.gz VFSJAKCPNXIOCG-UHFFFAOYSA-N 0 1 353.422 3.162 20 5 FGBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1F ZINC000109020500 494822552 /nfs/dbraw/zinc/82/25/52/494822552.db2.gz LEZVXQRJTCGUJQ-SNVBAGLBSA-N 0 1 355.329 3.261 20 5 FGBDMN Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577614538 505764758 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1 350.415 3.174 20 5 FGBDMN CC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2C1 ZINC000185349678 495542227 /nfs/dbraw/zinc/54/22/27/495542227.db2.gz ALDUXPDMSKHFHZ-IBGZPJMESA-N 0 1 357.385 3.317 20 5 FGBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)CC1 ZINC000154399326 495604290 /nfs/dbraw/zinc/60/42/90/495604290.db2.gz BIHNJYZXFKAPNU-UHFFFAOYSA-N 0 1 351.472 3.121 20 5 FGBDMN O=C(NC1CC1)[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179487460 495610367 /nfs/dbraw/zinc/61/03/67/495610367.db2.gz LPRMLUVWDVLJLD-QGZVFWFLSA-N 0 1 355.394 3.098 20 5 FGBDMN CN(C)Cc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000154591109 495664535 /nfs/dbraw/zinc/66/45/35/495664535.db2.gz WJMKVBMTCQSCPF-UHFFFAOYSA-N 0 1 370.384 3.207 20 5 FGBDMN CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159155340 495671963 /nfs/dbraw/zinc/67/19/63/495671963.db2.gz FNRFYDQZJIQQDS-OALUTQOASA-N 0 1 355.438 3.335 20 5 FGBDMN COc1cc(CN(C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F 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ISDXAIWMVSXXQN-GFCCVEGCSA-N 0 1 369.263 3.207 20 5 FGBDMN Cc1sc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000155463504 495964397 /nfs/dbraw/zinc/96/43/97/495964397.db2.gz GEHMZZTWHDGFNK-GFCCVEGCSA-N 0 1 374.466 3.315 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000155530139 495985926 /nfs/dbraw/zinc/98/59/26/495985926.db2.gz CUKPRRCTPCXDSE-UHFFFAOYSA-N 0 1 354.769 3.335 20 5 FGBDMN C[C@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180417233 495988107 /nfs/dbraw/zinc/98/81/07/495988107.db2.gz OHKYPNBRZOUKPT-JTQLQIEISA-N 0 1 353.831 3.277 20 5 FGBDMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180439251 495996144 /nfs/dbraw/zinc/99/61/44/495996144.db2.gz MADLVXWQTHTWRF-AWEZNQCLSA-N 0 1 370.409 3.211 20 5 FGBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(F)c(F)c(F)c1 ZINC000180495407 496021285 /nfs/dbraw/zinc/02/12/85/496021285.db2.gz QWNVNLPWZBYSIX-UHFFFAOYSA-N 0 1 367.327 3.473 20 5 FGBDMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172183710 496198640 /nfs/dbraw/zinc/19/86/40/496198640.db2.gz JZBXLPPNGVWFOT-LBPRGKRZSA-N 0 1 350.396 3.411 20 5 FGBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000180987440 496230771 /nfs/dbraw/zinc/23/07/71/496230771.db2.gz PAXZSLITXHECPQ-HNNXBMFYSA-N 0 1 367.365 3.157 20 5 FGBDMN COC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000156429242 496243591 /nfs/dbraw/zinc/24/35/91/496243591.db2.gz JVCCEAHOPSFXNC-MLGOLLRUSA-N 0 1 361.398 3.191 20 5 FGBDMN CCOc1cccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141693 496255951 /nfs/dbraw/zinc/25/59/51/496255951.db2.gz GILZROMUUHRSBQ-SJORKVTESA-N 0 1 371.437 3.041 20 5 FGBDMN O=C(NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178063120 496311815 /nfs/dbraw/zinc/31/18/15/496311815.db2.gz OBYVMHOPKBCWMY-QGZVFWFLSA-N 0 1 353.422 3.237 20 5 FGBDMN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000178206114 496369961 /nfs/dbraw/zinc/36/99/61/496369961.db2.gz ZTPGXZRDSNWJMN-AWEZNQCLSA-N 0 1 371.393 3.045 20 5 FGBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000162884929 496428371 /nfs/dbraw/zinc/42/83/71/496428371.db2.gz ATZUROBIKIXSSO-UHFFFAOYSA-N 0 1 371.784 3.006 20 5 FGBDMN CC[C@H](NCC(=O)NCCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181555880 496444680 /nfs/dbraw/zinc/44/46/80/496444680.db2.gz YLBKOAVIFOZWDZ-SFHVURJKSA-N 0 1 371.437 3.003 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000178692609 496543142 /nfs/dbraw/zinc/54/31/42/496543142.db2.gz JPAHHIZGQKGUMO-BBRMVZONSA-N 0 1 357.385 3.498 20 5 FGBDMN COc1cc(F)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1F ZINC000164045909 496581421 /nfs/dbraw/zinc/58/14/21/496581421.db2.gz ASSYFTNEPPTCAK-UHFFFAOYSA-N 0 1 372.349 3.299 20 5 FGBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1 ZINC000173224110 496599967 /nfs/dbraw/zinc/59/99/67/496599967.db2.gz KHHXGAMHQABNAY-LBPRGKRZSA-N 0 1 355.803 3.073 20 5 FGBDMN Cc1c(Br)cc(-c2nc(C3(N)CCCC3)no2)cc1[N+](=O)[O-] ZINC000569119285 505857770 /nfs/dbraw/zinc/85/77/70/505857770.db2.gz HLFAWHSAJIQITM-UHFFFAOYSA-N 0 1 367.203 3.444 20 5 FGBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000182128924 496680316 /nfs/dbraw/zinc/68/03/16/496680316.db2.gz PIKHWVSAEQLFKK-UHFFFAOYSA-N 0 1 362.392 3.436 20 5 FGBDMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173419984 496685056 /nfs/dbraw/zinc/68/50/56/496685056.db2.gz ZOGMRGOUWHDCDW-IFXJQAMLSA-N 0 1 369.421 3.055 20 5 FGBDMN CSc1cccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000188181132 496710534 /nfs/dbraw/zinc/71/05/34/496710534.db2.gz VTFZGQJSJXWECU-UHFFFAOYSA-N 0 1 374.397 3.305 20 5 FGBDMN Cc1cc(C2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)n[nH]1 ZINC000273668766 496869762 /nfs/dbraw/zinc/86/97/62/496869762.db2.gz XIJJTNMMNQKODG-UHFFFAOYSA-N 0 1 367.409 3.056 20 5 FGBDMN CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247963167 496933496 /nfs/dbraw/zinc/93/34/96/496933496.db2.gz DERSJKGXSNQMMV-APWZRJJASA-N 0 1 369.421 3.169 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269426461 496944098 /nfs/dbraw/zinc/94/40/98/496944098.db2.gz YOLPLLGQYYJFCN-UHFFFAOYSA-N 0 1 370.409 3.176 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000269684700 496988909 /nfs/dbraw/zinc/98/89/09/496988909.db2.gz ZMBLZCLUGCLBAS-IBGZPJMESA-N 0 1 364.405 3.294 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000269684702 496989479 /nfs/dbraw/zinc/98/94/79/496989479.db2.gz ZMBLZCLUGCLBAS-LJQANCHMSA-N 0 1 364.405 3.294 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000574896302 505877978 /nfs/dbraw/zinc/87/79/78/505877978.db2.gz SSLKRROTNNFSPO-CQSZACIVSA-N 0 1 360.389 3.257 20 5 FGBDMN Cc1c(NC(=O)CCN2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000270161508 497069131 /nfs/dbraw/zinc/06/91/31/497069131.db2.gz IKXPIBMXQFPPGZ-UHFFFAOYSA-N 0 1 357.332 3.426 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192347858 497082066 /nfs/dbraw/zinc/08/20/66/497082066.db2.gz UKPQALABCJUOPM-KRWDZBQOSA-N 0 1 355.394 3.215 20 5 FGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ncc[nH]2)CC1 ZINC000265446673 497122088 /nfs/dbraw/zinc/12/20/88/497122088.db2.gz BDCPUMKHFPXEHT-LBPRGKRZSA-N 0 1 368.397 3.309 20 5 FGBDMN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000249150846 497175197 /nfs/dbraw/zinc/17/51/97/497175197.db2.gz WWAVZEWPHZYOSN-NVXWUHKLSA-N 0 1 371.462 3.492 20 5 FGBDMN O=C(C[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000274876777 497189450 /nfs/dbraw/zinc/18/94/50/497189450.db2.gz YPZWPUBBTMZMJZ-OAHLLOKOSA-N 0 1 354.362 3.178 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270819205 497208785 /nfs/dbraw/zinc/20/87/85/497208785.db2.gz PYIZDEYIMASZSS-MRXNPFEDSA-N 0 1 355.398 3.070 20 5 FGBDMN NC(=O)CCC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000271215396 497292963 /nfs/dbraw/zinc/29/29/63/497292963.db2.gz WMTRCRNSKSAOEO-UHFFFAOYSA-N 0 1 374.466 3.196 20 5 FGBDMN COc1ccc(CN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1[N+](=O)[O-] ZINC000271343731 497324889 /nfs/dbraw/zinc/32/48/89/497324889.db2.gz CLDHMTLUYNONPE-LBPRGKRZSA-N 0 1 355.398 3.114 20 5 FGBDMN O=c1[nH]cnc2cc(NC[C@H](c3ccco3)N3CCCC3)c([N+](=O)[O-])cc12 ZINC000253616828 497346451 /nfs/dbraw/zinc/34/64/51/497346451.db2.gz NSPFSAQHFZMDGF-MRXNPFEDSA-N 0 1 369.381 3.086 20 5 FGBDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000245470971 497423108 /nfs/dbraw/zinc/42/31/08/497423108.db2.gz XCAZFJSOTVFLBV-OWCLPIDISA-N 0 1 370.453 3.454 20 5 FGBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000266842688 497429782 /nfs/dbraw/zinc/42/97/82/497429782.db2.gz HASGLPJVYCNOAT-CHWSQXEVSA-N 0 1 363.439 3.378 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccc(O)cc2)CC1 ZINC000193815767 497491817 /nfs/dbraw/zinc/49/18/17/497491817.db2.gz WLYAMNKWUDHJOH-UHFFFAOYSA-N 0 1 364.361 3.106 20 5 FGBDMN CCc1n[nH]c(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000190674415 497568160 /nfs/dbraw/zinc/56/81/60/497568160.db2.gz ILMVYDKICLFSSC-UHFFFAOYSA-N 0 1 373.457 3.442 20 5 FGBDMN CCc1csc([C@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000272460191 497634991 /nfs/dbraw/zinc/63/49/91/497634991.db2.gz CDLRVAZMCVFKLF-NSHDSACASA-N 0 1 361.423 3.339 20 5 FGBDMN Cc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000194541429 497700218 /nfs/dbraw/zinc/70/02/18/497700218.db2.gz AJHKJZUHWBXREA-INIZCTEOSA-N 0 1 357.410 3.372 20 5 FGBDMN Cc1cc(N2CCC[C@H](CNC(=O)C(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272816131 497736828 /nfs/dbraw/zinc/73/68/28/497736828.db2.gz HWZDXFNVNSHCPM-OAHLLOKOSA-N 0 1 370.453 3.440 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](COc2ccccc2)C1 ZINC000272870475 497749207 /nfs/dbraw/zinc/74/92/07/497749207.db2.gz WODYAMQGNCKSSQ-ZDUSSCGKSA-N 0 1 366.377 3.012 20 5 FGBDMN O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299568629 497850136 /nfs/dbraw/zinc/85/01/36/497850136.db2.gz ODLJWAVBVYUSMD-UHFFFAOYSA-N 0 1 355.394 3.151 20 5 FGBDMN CO[C@H](CS(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000296094803 497918204 /nfs/dbraw/zinc/91/82/04/497918204.db2.gz WUKFLVOJUKKELG-OAHLLOKOSA-N 0 1 368.386 3.172 20 5 FGBDMN NC(=O)c1ccc(CN[C@H](c2cccnc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000364525472 498002283 /nfs/dbraw/zinc/00/22/83/498002283.db2.gz WCDWIIBJFZRITP-IBGZPJMESA-N 0 1 368.437 3.500 20 5 FGBDMN CC(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296380795 498019891 /nfs/dbraw/zinc/01/98/91/498019891.db2.gz SZSNETMMEYSGNL-LSDHHAIUSA-N 0 1 360.414 3.327 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCCn3c(cc4ccccc43)C2)c1[N+](=O)[O-] ZINC000578546227 505965297 /nfs/dbraw/zinc/96/52/97/505965297.db2.gz WGBIDDBLMBRKBE-UHFFFAOYSA-N 0 1 367.409 3.442 20 5 FGBDMN CO[C@]1(C)C[C@@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296433234 498041281 /nfs/dbraw/zinc/04/12/81/498041281.db2.gz WFSLUJOWZRXARM-UCMVZMLTSA-N 0 1 360.414 3.499 20 5 FGBDMN COc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301359007 498073343 /nfs/dbraw/zinc/07/33/43/498073343.db2.gz NIFKABYMBCXCLG-UHFFFAOYSA-N 0 1 359.401 3.455 20 5 FGBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400765 498094561 /nfs/dbraw/zinc/09/45/61/498094561.db2.gz RDUSHPZMCCDCCN-QAPCUYQASA-N 0 1 369.381 3.052 20 5 FGBDMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)[nH]n1 ZINC000350823296 498140146 /nfs/dbraw/zinc/14/01/46/498140146.db2.gz LJLFFKFVSCXLDB-UHFFFAOYSA-N 0 1 371.382 3.114 20 5 FGBDMN CC(C)[C@]1(CO)CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293076372 498259797 /nfs/dbraw/zinc/25/97/97/498259797.db2.gz OMAZPLAHQWMGIA-IFXJQAMLSA-N 0 1 374.441 3.436 20 5 FGBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000360428230 498274093 /nfs/dbraw/zinc/27/40/93/498274093.db2.gz WWNGIALQDCEENG-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN COc1ccc(CNCc2cc(C)nc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000289765675 498282943 /nfs/dbraw/zinc/28/29/43/498282943.db2.gz JIDAQJYINFVFBS-UHFFFAOYSA-N 0 1 356.426 3.197 20 5 FGBDMN O=C(Nc1ccc(Br)cc1O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000569797186 506018716 /nfs/dbraw/zinc/01/87/16/506018716.db2.gz YELCARABFBGCSE-UHFFFAOYSA-N 0 1 353.128 3.021 20 5 FGBDMN COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])cn3)CC[N@H+]2C2CC2)c1 ZINC000302063055 498391439 /nfs/dbraw/zinc/39/14/39/498391439.db2.gz RVIPWQUHVXZCBA-HKUYNNGSSA-N 0 1 354.410 3.388 20 5 FGBDMN CNC(=O)CC[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286512642 498421511 /nfs/dbraw/zinc/42/15/11/498421511.db2.gz QGMDRPCLHIWAAZ-INIZCTEOSA-N 0 1 372.425 3.131 20 5 FGBDMN CN1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000286585611 498444049 /nfs/dbraw/zinc/44/40/49/498444049.db2.gz 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C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000475499003 502191570 /nfs/dbraw/zinc/19/15/70/502191570.db2.gz ZVXOWJXQNLJRML-WCLQSUPFSA-N 0 1 351.406 3.129 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000475607717 502225776 /nfs/dbraw/zinc/22/57/76/502225776.db2.gz MFIIINWWXYOFOH-UHFFFAOYSA-N 0 1 366.377 3.197 20 5 FGBDMN C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nnc[nH]1 ZINC000479476072 502269922 /nfs/dbraw/zinc/26/99/22/502269922.db2.gz QKLMWWIOSUBRJI-NSHDSACASA-N 0 1 369.406 3.355 20 5 FGBDMN CC1(C)C[C@@H](N[C@H]2Cc3ccccc3NC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599074063 506310245 /nfs/dbraw/zinc/31/02/45/506310245.db2.gz KCCPEZYHYSBDKB-ZWKOTPCHSA-N 0 1 351.406 3.470 20 5 FGBDMN Cc1noc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1[N+](=O)[O-] ZINC000602814219 506311308 /nfs/dbraw/zinc/31/13/08/506311308.db2.gz YGUXUQMLGIRYJN-CQSZACIVSA-N 0 1 355.398 3.153 20 5 FGBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000476223668 502419296 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3.282 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2c(cc3ccccc32)C1 ZINC000462840812 502596393 /nfs/dbraw/zinc/59/63/93/502596393.db2.gz NDAJEQDLWRKTIF-UHFFFAOYSA-N 0 1 361.361 3.082 20 5 FGBDMN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462947157 502637817 /nfs/dbraw/zinc/63/78/17/502637817.db2.gz QIYYFALWDXDEGW-ZIAGYGMSSA-N 0 1 357.385 3.498 20 5 FGBDMN CCCCO[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058894 502664903 /nfs/dbraw/zinc/66/49/03/502664903.db2.gz QOCCPMSSXIGYSV-DLBZAZTESA-N 0 1 363.458 3.109 20 5 FGBDMN COc1cc(OC)cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473779634 502705468 /nfs/dbraw/zinc/70/54/68/502705468.db2.gz ZYPGPYYNWQSUKY-UHFFFAOYSA-N 0 1 366.395 3.030 20 5 FGBDMN CN(C)C(=O)[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000477313355 502738692 /nfs/dbraw/zinc/73/86/92/502738692.db2.gz CWSRXRDPLQTTMM-KRWDZBQOSA-N 0 1 361.829 3.210 20 5 FGBDMN COCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[C@H](C)C1 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ANIKJSKWYFQUHG-HUUCEWRRSA-N 0 1 372.425 3.198 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000489442417 502959388 /nfs/dbraw/zinc/95/93/88/502959388.db2.gz HASAQCZMXQARKO-STQMWFEESA-N 0 1 374.445 3.296 20 5 FGBDMN CCCCOc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000505788925 502986721 /nfs/dbraw/zinc/98/67/21/502986721.db2.gz YRARZUIBGKNJPW-UHFFFAOYSA-N 0 1 374.393 3.418 20 5 FGBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505792518 502987874 /nfs/dbraw/zinc/98/78/74/502987874.db2.gz IEMGYORXWPVMDD-INIZCTEOSA-N 0 1 368.349 3.281 20 5 FGBDMN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505792518 502987878 /nfs/dbraw/zinc/98/78/78/502987878.db2.gz IEMGYORXWPVMDD-INIZCTEOSA-N 0 1 368.349 3.281 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000593029846 506346031 /nfs/dbraw/zinc/34/60/31/506346031.db2.gz UZCJKDBXLFRDQJ-INIZCTEOSA-N 0 1 355.394 3.156 20 5 FGBDMN CCc1[nH]nc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC000497672622 503011404 /nfs/dbraw/zinc/01/14/04/503011404.db2.gz YZUHPVRJAKWRQV-UHFFFAOYSA-N 0 1 368.275 3.028 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000505951929 503019899 /nfs/dbraw/zinc/01/98/99/503019899.db2.gz BOQMQEXTFPTLMA-UHFFFAOYSA-N 0 1 359.357 3.156 20 5 FGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497887463 503061401 /nfs/dbraw/zinc/06/14/01/503061401.db2.gz AGRRBOJLNNFAFX-UHFFFAOYSA-N 0 1 362.296 3.002 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000506217226 503071560 /nfs/dbraw/zinc/07/15/60/503071560.db2.gz SWPKLDHYWWVLHI-UHFFFAOYSA-N 0 1 368.345 3.442 20 5 FGBDMN CC1(N2CCOCC2)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000599160198 506353306 /nfs/dbraw/zinc/35/33/06/506353306.db2.gz IXVZQOKLLSEUHM-UHFFFAOYSA-N 0 1 373.375 3.305 20 5 FGBDMN COc1ccc(C[C@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000506634141 503147207 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0 1 369.786 3.007 20 5 FGBDMN COc1ccc(NC(=O)NCc2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000543887851 503929483 /nfs/dbraw/zinc/92/94/83/503929483.db2.gz KNUOZXOHGULTBG-UHFFFAOYSA-N 0 1 355.354 3.110 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ncccc12 ZINC000547433997 504103918 /nfs/dbraw/zinc/10/39/18/504103918.db2.gz SGDDJZZRAUDKTN-UHFFFAOYSA-N 0 1 373.390 3.261 20 5 FGBDMN Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519150981 504152133 /nfs/dbraw/zinc/15/21/33/504152133.db2.gz WQVMEOJKITYOND-CQSZACIVSA-N 0 1 350.371 3.008 20 5 FGBDMN COc1ccccc1[C@H](C)N(C)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538175525 504153885 /nfs/dbraw/zinc/15/38/85/504153885.db2.gz MXVVJFCEZWWXCB-CABCVRRESA-N 0 1 371.437 3.474 20 5 FGBDMN CC1(C)C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000544573445 504179936 /nfs/dbraw/zinc/17/99/36/504179936.db2.gz RNLKKEIBWKMPRV-GOSISDBHSA-N 0 1 374.462 3.381 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(NS(C)(=O)=O)c1 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CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555086355 505345677 /nfs/dbraw/zinc/34/56/77/505345677.db2.gz BAHUYXKLQGJYTC-UHFFFAOYSA-N 0 1 359.348 3.027 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1-n1ccnn1 ZINC000552044416 505380165 /nfs/dbraw/zinc/38/01/65/505380165.db2.gz BISJRQULJHAGIK-ZDUSSCGKSA-N 0 1 353.382 3.035 20 5 FGBDMN COC(=O)COc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000558424054 505385324 /nfs/dbraw/zinc/38/53/24/505385324.db2.gz UGEIPCSKHNAOHL-UHFFFAOYSA-N 0 1 372.368 3.156 20 5 FGBDMN CCc1ccc(OCC(=O)c2ccc(OC)c3c2OCC3=O)c([N+](=O)[O-])c1 ZINC000558460677 505396361 /nfs/dbraw/zinc/39/63/61/505396361.db2.gz UVWQFRBQONYEOC-UHFFFAOYSA-N 0 1 371.345 3.003 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000567340677 505435272 /nfs/dbraw/zinc/43/52/72/505435272.db2.gz OSIXZXJENBTHTE-JKSUJKDBSA-N 0 1 355.438 3.301 20 5 FGBDMN C[C@@H](NC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000558739845 505478645 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373.335 3.039 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)c1[N+](=O)[O-] ZINC000598227443 507329310 /nfs/dbraw/zinc/32/93/10/507329310.db2.gz WMWSYMMQTLQOBP-LJQANCHMSA-N 0 1 372.425 3.083 20 5 FGBDMN COc1ccc(N2C[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000595068060 507376392 /nfs/dbraw/zinc/37/63/92/507376392.db2.gz OAAIVYYMAPISNL-HIFRSBDPSA-N 0 1 355.394 3.060 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000610891562 507433162 /nfs/dbraw/zinc/43/31/62/507433162.db2.gz RMRUXJOUNXTAKU-INIZCTEOSA-N 0 1 370.361 3.049 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610923655 507443586 /nfs/dbraw/zinc/44/35/86/507443586.db2.gz LDGFNEJIABBRDC-JSGCOSHPSA-N 0 1 358.398 3.044 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000601879818 507498551 /nfs/dbraw/zinc/49/85/51/507498551.db2.gz ACIJYKDDCHBJDB-QGZVFWFLSA-N 0 1 353.422 3.216 20 5 FGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccccc3Cl)CC2)c1 ZINC000592137095 507500975 /nfs/dbraw/zinc/50/09/75/507500975.db2.gz CLJNVFMKHBVGQQ-CQSZACIVSA-N 0 1 362.813 3.267 20 5 FGBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](C(F)F)C2CCCCC2)cc1 ZINC000598627185 507522974 /nfs/dbraw/zinc/52/29/74/507522974.db2.gz GAZLBDRYLSJLDE-AWEZNQCLSA-N 0 1 362.398 3.228 20 5 FGBDMN CCO[C@@H]1C[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1SC ZINC000592172958 507523511 /nfs/dbraw/zinc/52/35/11/507523511.db2.gz MVDHLZVEQKHWMH-OAGGEKHMSA-N 0 1 363.439 3.248 20 5 FGBDMN CCN1C[C@@H](CN(C)Cc2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000611253124 507581118 /nfs/dbraw/zinc/58/11/18/507581118.db2.gz MVPAYFKOSZVPTN-MRXNPFEDSA-N 0 1 357.410 3.020 20 5 FGBDMN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)c1ccccc1 ZINC000585754295 507614647 /nfs/dbraw/zinc/61/46/47/507614647.db2.gz GAXLJOKLHNSLGZ-UHFFFAOYSA-N 0 1 371.393 3.129 20 5 FGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350860 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20 5 FGBDMN Nc1c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000153793208 496582242 /nfs/dbraw/zinc/58/22/42/496582242.db2.gz YRBQGILCNVHACQ-UHFFFAOYSA-N 0 1 365.271 3.324 20 5 FGBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184928612 496588443 /nfs/dbraw/zinc/58/84/43/496588443.db2.gz QXYOBYGSLMFBPA-HOCLYGCPSA-N 0 1 357.414 3.035 20 5 FGBDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182015867 496635707 /nfs/dbraw/zinc/63/57/07/496635707.db2.gz MESZOHZXHLMTBM-GJZGRUSLSA-N 0 1 361.442 3.027 20 5 FGBDMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173367889 496660847 /nfs/dbraw/zinc/66/08/47/496660847.db2.gz NKVIPMNGJHZJIN-OXQOHEQNSA-N 0 1 367.449 3.479 20 5 FGBDMN CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154081399 496678417 /nfs/dbraw/zinc/67/84/17/496678417.db2.gz PDSXJZQBYZVYRM-HNNXBMFYSA-N 0 1 371.437 3.495 20 5 FGBDMN CC[C@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000182193409 496702784 /nfs/dbraw/zinc/70/27/84/496702784.db2.gz KRQAMBMAZIXPOB-GUYCJALGSA-N 0 1 365.455 3.014 20 5 FGBDMN CC[C@H](NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000268723826 496767074 /nfs/dbraw/zinc/76/70/74/496767074.db2.gz ADEJNWBKCXVZFR-SFHVURJKSA-N 0 1 356.426 3.067 20 5 FGBDMN CCCCc1nc2ccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2[nH]1 ZINC000194967273 496776286 /nfs/dbraw/zinc/77/62/86/496776286.db2.gz WSZCDGIAVQGSJF-UHFFFAOYSA-N 0 1 356.386 3.108 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[nH]1 ZINC000277725477 496866490 /nfs/dbraw/zinc/86/64/90/496866490.db2.gz GCDAMQNQYJBNLS-NEPJUHHUSA-N 0 1 370.413 3.059 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277752366 496874622 /nfs/dbraw/zinc/87/46/22/496874622.db2.gz HSAWRNGSHQDVAA-RYUDHWBXSA-N 0 1 359.430 3.381 20 5 FGBDMN Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000191796991 496893487 /nfs/dbraw/zinc/89/34/87/496893487.db2.gz VOHBAAHXHDWNEG-UHFFFAOYSA-N 0 1 356.787 3.371 20 5 FGBDMN Cc1cc(C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)n[nH]1 ZINC000273750084 496894440 /nfs/dbraw/zinc/89/44/40/496894440.db2.gz NGHDQGHDYMOKOB-UHFFFAOYSA-N 0 1 353.382 3.127 20 5 FGBDMN CC(C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000273849214 496931267 /nfs/dbraw/zinc/93/12/67/496931267.db2.gz LEARQJZWFIYCSA-SNVBAGLBSA-N 0 1 363.393 3.130 20 5 FGBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000191964626 496946136 /nfs/dbraw/zinc/94/61/36/496946136.db2.gz UZYMDJRANSCVSH-UHFFFAOYSA-N 0 1 374.397 3.398 20 5 FGBDMN COc1ccccc1[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269553070 496968925 /nfs/dbraw/zinc/96/89/25/496968925.db2.gz YJFYSMFDGPIIOY-GFCCVEGCSA-N 0 1 358.398 3.080 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1[N+](=O)[O-] ZINC000269563478 496971132 /nfs/dbraw/zinc/97/11/32/496971132.db2.gz GGSMKMDJIXXTGJ-UHFFFAOYSA-N 0 1 358.398 3.199 20 5 FGBDMN Cc1c([C@@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000189057896 496993709 /nfs/dbraw/zinc/99/37/09/496993709.db2.gz BIJFYYHEALPENI-RDTXWAMCSA-N 0 1 371.412 3.494 20 5 FGBDMN CN1C(=O)C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000192151761 497014731 /nfs/dbraw/zinc/01/47/31/497014731.db2.gz NMKWFGCZOGBIHD-QAPCUYQASA-N 0 1 359.813 3.310 20 5 FGBDMN CN(C)C(=O)c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278228938 497043604 /nfs/dbraw/zinc/04/36/04/497043604.db2.gz JYCGFEVUAQXOPM-LJQANCHMSA-N 0 1 353.422 3.464 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000192591688 497158180 /nfs/dbraw/zinc/15/81/80/497158180.db2.gz MLEBVAVVPGKRJR-IAQYHMDHSA-N 0 1 360.439 3.199 20 5 FGBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000278660093 497180698 /nfs/dbraw/zinc/18/06/98/497180698.db2.gz BTYREMLZYDKCRG-OAHLLOKOSA-N 0 1 368.437 3.374 20 5 FGBDMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000192705281 497190472 /nfs/dbraw/zinc/19/04/72/497190472.db2.gz YIKCHXUUDNMYHM-UHFFFAOYSA-N 0 1 368.397 3.204 20 5 FGBDMN COC(=O)c1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c[nH]1 ZINC000278715326 497198360 /nfs/dbraw/zinc/19/83/60/497198360.db2.gz KPMPJOJJMJNFCN-UHFFFAOYSA-N 0 1 357.288 3.018 20 5 FGBDMN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000249761993 497244435 /nfs/dbraw/zinc/24/44/35/497244435.db2.gz NUVMBOLIKLIRAX-GLJUWKHASA-N 0 1 369.421 3.274 20 5 FGBDMN O=C([O-])c1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000574992617 505900189 /nfs/dbraw/zinc/90/01/89/505900189.db2.gz RJLRUICSYZEWMN-CYBMUJFWSA-N 0 1 370.409 3.210 20 5 FGBDMN C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266748213 497411864 /nfs/dbraw/zinc/41/18/64/497411864.db2.gz BLUCEMJBYNAPLW-CQSZACIVSA-N 0 1 359.401 3.421 20 5 FGBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000261618390 497420498 /nfs/dbraw/zinc/42/04/98/497420498.db2.gz CUFKQZQZGCEZLC-GOSISDBHSA-N 0 1 357.385 3.083 20 5 FGBDMN O=C(NC1CCN(C2CC2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275762152 497424908 /nfs/dbraw/zinc/42/49/08/497424908.db2.gz RYJRWKLKCMKINH-UHFFFAOYSA-N 0 1 361.445 3.450 20 5 FGBDMN Cc1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000261801161 497453138 /nfs/dbraw/zinc/45/31/38/497453138.db2.gz OCZKXGDWEIYXIU-KRWDZBQOSA-N 0 1 359.813 3.343 20 5 FGBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000193737212 497463214 /nfs/dbraw/zinc/46/32/14/497463214.db2.gz QOFGWBJQFQFANO-UHFFFAOYSA-N 0 1 358.379 3.257 20 5 FGBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2(N)CCCC2)no1 ZINC000261889618 497469294 /nfs/dbraw/zinc/46/92/94/497469294.db2.gz XISVQULLKWVLHJ-VIFPVBQESA-N 0 1 352.778 3.499 20 5 FGBDMN Cc1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000262134973 497514730 /nfs/dbraw/zinc/51/47/30/497514730.db2.gz WVIMZYYDPIVPII-QGZVFWFLSA-N 0 1 359.813 3.343 20 5 FGBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267417270 497546591 /nfs/dbraw/zinc/54/65/91/497546591.db2.gz KACOVIFSHMYZLD-AWEZNQCLSA-N 0 1 359.813 3.253 20 5 FGBDMN Cc1cc(C2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000272187849 497558613 /nfs/dbraw/zinc/55/86/13/497558613.db2.gz FBTSZALXWUPJMY-UHFFFAOYSA-N 0 1 371.441 3.225 20 5 FGBDMN O=[N+]([O-])c1ccc2c(c1NC1CCN(Cc3ccccn3)CC1)CCN2 ZINC000276488755 497585844 /nfs/dbraw/zinc/58/58/44/497585844.db2.gz ACDDSIVGCYLGSO-UHFFFAOYSA-N 0 1 353.426 3.034 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000276759834 497646163 /nfs/dbraw/zinc/64/61/63/497646163.db2.gz AFUUWBNYXILFAZ-UWVGGRQHSA-N 0 1 362.390 3.118 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCCO)CC1 ZINC000272935323 497765594 /nfs/dbraw/zinc/76/55/94/497765594.db2.gz KNRBNSYLJPBVIA-CYBMUJFWSA-N 0 1 360.414 3.190 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC4(CCOCC4)CC3)o2)cc1 ZINC000284957750 497954753 /nfs/dbraw/zinc/95/47/53/497954753.db2.gz ZQYAOUWJGMVAGQ-UHFFFAOYSA-N 0 1 358.398 3.037 20 5 FGBDMN CSC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415240 498007050 /nfs/dbraw/zinc/00/70/50/498007050.db2.gz MJDJOSVBYQCCQB-KBPBESRZSA-N 0 1 351.472 3.305 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](c4cccnc4)C3)o2)cc1 ZINC000575398363 505971528 /nfs/dbraw/zinc/97/15/28/505971528.db2.gz JCXHAVOVBNHOCS-HNNXBMFYSA-N 0 1 351.366 3.029 20 5 FGBDMN COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)cc1Cl ZINC000301345759 498067039 /nfs/dbraw/zinc/06/70/39/498067039.db2.gz KHKDCSVUJDIHAX-UHFFFAOYSA-N 0 1 367.833 3.099 20 5 FGBDMN Cc1noc([C@H](N[C@@H](C)CCc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000364710405 498105364 /nfs/dbraw/zinc/10/53/64/498105364.db2.gz QGVUTPITPFMLRT-SCLBCKFNSA-N 0 1 374.441 3.365 20 5 FGBDMN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000301531313 498150872 /nfs/dbraw/zinc/15/08/72/498150872.db2.gz LFZDGKOYKXWCMV-CYBMUJFWSA-N 0 1 357.252 3.285 20 5 FGBDMN CCc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000569671316 505988667 /nfs/dbraw/zinc/98/86/67/505988667.db2.gz MCJQRTYFBUHBGV-UHFFFAOYSA-N 0 1 371.418 3.237 20 5 FGBDMN O=c1cc(-c2nc(-c3ccn4cncc4c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000351045405 498169397 /nfs/dbraw/zinc/16/93/97/498169397.db2.gz IRXFOZRHOWUJOB-UHFFFAOYSA-N 0 1 374.316 3.213 20 5 FGBDMN Cc1ncc(CN2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000364922085 498211063 /nfs/dbraw/zinc/21/10/63/498211063.db2.gz FNZNIRACICIBRU-DOMZBBRYSA-N 0 1 361.471 3.386 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C/C=C\c3ccc(F)c(F)c3)C2)nc1 ZINC000569741988 506005670 /nfs/dbraw/zinc/00/56/70/506005670.db2.gz ZRBBDOZUFZSBSS-DDGIKZQJSA-N 0 1 360.364 3.468 20 5 FGBDMN COCCOCc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000289623288 498220682 /nfs/dbraw/zinc/22/06/82/498220682.db2.gz FUSZVJDYJLQKAX-UHFFFAOYSA-N 0 1 360.410 3.056 20 5 FGBDMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(C)nc2ccc([N+](=O)[O-])cc21 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FGBDMN C[C@H](C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1)C(=O)[O-] ZINC000901993602 743694174 /nfs/dbraw/zinc/69/41/74/743694174.db2.gz RLHMXWNSLAGLTR-SSDOTTSWSA-N 0 1 363.233 3.104 20 5 FGBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc(Br)cn1 ZINC000903320613 743837293 /nfs/dbraw/zinc/83/72/93/743837293.db2.gz MGMIMLGGLSXXTD-LLVKDONJSA-N 0 1 365.231 3.258 20 5 FGBDMN C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000903904587 743894775 /nfs/dbraw/zinc/89/47/75/743894775.db2.gz LXDCTTKYNWPVNP-NOZJJQNGSA-N 0 1 357.204 3.042 20 5 FGBDMN O=C([O-])C1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000905739850 744050056 /nfs/dbraw/zinc/05/00/56/744050056.db2.gz OFKRUNPFXSNOOA-UHFFFAOYSA-N 0 1 366.723 3.477 20 5 FGBDMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000905747577 744051598 /nfs/dbraw/zinc/05/15/98/744051598.db2.gz BBUMJWOLLCFWJX-SNVBAGLBSA-N 0 1 367.814 3.392 20 5 FGBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000935880653 761962814 /nfs/dbraw/zinc/96/28/14/761962814.db2.gz SHIZGALVKKILAL-UHFFFAOYSA-N 0 1 360.439 3.368 20 5 FGBDMN CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000930000719 760509552 /nfs/dbraw/zinc/50/95/52/760509552.db2.gz VCESWRHSRYNANY-BRWVUGGUSA-N 0 1 359.451 3.179 20 5 FGBDMN COC(=O)c1cnc([C@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000932670118 761214293 /nfs/dbraw/zinc/21/42/93/761214293.db2.gz CYADRMYUEXXBTG-ZDUSSCGKSA-N 0 1 361.423 3.136 20 5 FGBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCSC[C@@H]2C2CC2)o1 ZINC000933912437 761494000 /nfs/dbraw/zinc/49/40/00/761494000.db2.gz KREFPIZVZHKRHE-OAHLLOKOSA-N 0 1 360.439 3.362 20 5 FGBDMN C[C@@H](Cc1cccnc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000934224599 761565884 /nfs/dbraw/zinc/56/58/84/761565884.db2.gz DSPOZSHFAGLRAN-NSHDSACASA-N 0 1 350.216 3.473 20 5 FGBDMN Cc1c(CN2CCC(NC(=O)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000064992281 221163142 /nfs/dbraw/zinc/16/31/42/221163142.db2.gz RBSFYNHTJWOWTP-UHFFFAOYSA-N 0 1 359.451 3.359 20 5 FGBDMN CCCNC(=O)[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302130399 257384560 /nfs/dbraw/zinc/38/45/60/257384560.db2.gz BTCLZJIUCYULIT-CQSZACIVSA-N 0 1 356.426 3.194 20 5 FGBDMN CN(Cc1nnc[nH]1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000570747097 505571506 /nfs/dbraw/zinc/57/15/06/505571506.db2.gz GYRXXZXJUGEVDD-UHFFFAOYSA-N 0 1 352.398 3.113 20 5 FGBDMN CCOC(=O)c1sc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1C ZINC000567976718 505587918 /nfs/dbraw/zinc/58/79/18/505587918.db2.gz UORHONBHEILRNH-UHFFFAOYSA-N 0 1 366.395 3.468 20 5 FGBDMN COC[C@H]1CCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000568006030 505594763 /nfs/dbraw/zinc/59/47/63/505594763.db2.gz NPRNNYKDKPEKDA-GOSISDBHSA-N 0 1 372.421 3.403 20 5 FGBDMN Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573805445 505624953 /nfs/dbraw/zinc/62/49/53/505624953.db2.gz BUCNFBIJKOCGCO-QLFBSQMISA-N 0 1 361.442 3.443 20 5 FGBDMN CN(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(F)c1 ZINC000048299546 493812982 /nfs/dbraw/zinc/81/29/82/493812982.db2.gz FTKSFNMLXFVCTD-QGZVFWFLSA-N 0 1 370.384 3.248 20 5 FGBDMN CNc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000029929520 493867767 /nfs/dbraw/zinc/86/77/67/493867767.db2.gz QGTHCZARYZAZPY-INIZCTEOSA-N 0 1 374.466 3.265 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(C)CCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000068783818 493872418 /nfs/dbraw/zinc/87/24/18/493872418.db2.gz ALRORRYIJYGFAR-UHFFFAOYSA-N 0 1 366.805 3.075 20 5 FGBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000058824517 493887471 /nfs/dbraw/zinc/88/74/71/493887471.db2.gz PDRLBVLFMSENBW-GOSISDBHSA-N 0 1 372.425 3.336 20 5 FGBDMN Cc1c(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000052159695 494007265 /nfs/dbraw/zinc/00/72/65/494007265.db2.gz IWAXINDDBSXNLO-UHFFFAOYSA-N 0 1 359.470 3.374 20 5 FGBDMN Cc1cccc(NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053161787 494099315 /nfs/dbraw/zinc/09/93/15/494099315.db2.gz HSWDQLGSHBQJJY-UHFFFAOYSA-N 0 1 354.410 3.149 20 5 FGBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCC1 ZINC000064021481 494101731 /nfs/dbraw/zinc/10/17/31/494101731.db2.gz YIIQIJPUFIHQMX-UHFFFAOYSA-N 0 1 370.247 3.418 20 5 FGBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054149703 494200739 /nfs/dbraw/zinc/20/07/39/494200739.db2.gz NVDXDOMLWVOAGB-UHFFFAOYSA-N 0 1 372.400 3.046 20 5 FGBDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000072837715 494261517 /nfs/dbraw/zinc/26/15/17/494261517.db2.gz NEUSTOCGFZZDQM-ZBFHGGJFSA-N 0 1 363.483 3.090 20 5 FGBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054775151 494269424 /nfs/dbraw/zinc/26/94/24/494269424.db2.gz JLDHPXVVPMHXTA-UHFFFAOYSA-N 0 1 371.412 3.390 20 5 FGBDMN Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000043148523 494271136 /nfs/dbraw/zinc/27/11/36/494271136.db2.gz AEAUPQWEUMJYCG-INIZCTEOSA-N 0 1 358.398 3.455 20 5 FGBDMN CN1CCN(c2ncccc2CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000066372743 494321199 /nfs/dbraw/zinc/32/11/99/494321199.db2.gz WIRFRHDTHQKKPP-UHFFFAOYSA-N 0 1 361.833 3.007 20 5 FGBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055374747 494333956 /nfs/dbraw/zinc/33/39/56/494333956.db2.gz XNXYVIPGVBOMKG-VXGBXAGGSA-N 0 1 357.366 3.001 20 5 FGBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044315100 494349992 /nfs/dbraw/zinc/34/99/92/494349992.db2.gz KCAQVVDOLRMPIC-LBPRGKRZSA-N 0 1 351.453 3.285 20 5 FGBDMN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066711089 494392708 /nfs/dbraw/zinc/39/27/08/494392708.db2.gz GRARFVHRUVUKBB-PXAZEXFGSA-N 0 1 366.377 3.073 20 5 FGBDMN Cc1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000045756003 494457878 /nfs/dbraw/zinc/45/78/78/494457878.db2.gz UAMXLMRQHIUOPP-UHFFFAOYSA-N 0 1 369.425 3.084 20 5 FGBDMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021155865 494489207 /nfs/dbraw/zinc/48/92/07/494489207.db2.gz JBABRIOWBYEQSX-NSHDSACASA-N 0 1 369.406 3.499 20 5 FGBDMN CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074829355 494612993 /nfs/dbraw/zinc/61/29/93/494612993.db2.gz WXSAVUCQBHIMBH-QGZVFWFLSA-N 0 1 369.421 3.037 20 5 FGBDMN CCOCCC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000121147843 494616578 /nfs/dbraw/zinc/61/65/78/494616578.db2.gz IMSKWLJULKXABM-UHFFFAOYSA-N 0 1 360.414 3.188 20 5 FGBDMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000574258618 505732440 /nfs/dbraw/zinc/73/24/40/505732440.db2.gz HRIVKKQDDHLOFV-HNNXBMFYSA-N 0 1 373.428 3.255 20 5 FGBDMN COc1cccc(CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000092511235 494652786 /nfs/dbraw/zinc/65/27/86/494652786.db2.gz LLPLRCAVSXEGJM-IBGZPJMESA-N 0 1 372.421 3.490 20 5 FGBDMN COc1cc(CN2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000092788701 494750071 /nfs/dbraw/zinc/75/00/71/494750071.db2.gz TXRZEVCDNYEPPE-GFCCVEGCSA-N 0 1 363.439 3.448 20 5 FGBDMN CN1C(=O)C[C@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000092849612 494772394 /nfs/dbraw/zinc/77/23/94/494772394.db2.gz LSVMVSYWCLXOJJ-WMZOPIPTSA-N 0 1 359.813 3.310 20 5 FGBDMN COc1cc(CN(C)[C@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000092063780 494773902 /nfs/dbraw/zinc/77/39/02/494773902.db2.gz XVEGPLFATIYYDU-FZKQIMNGSA-N 0 1 372.421 3.436 20 5 FGBDMN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000026195119 494809115 /nfs/dbraw/zinc/80/91/15/494809115.db2.gz BTAWYCWDRHGCKP-UHFFFAOYSA-N 0 1 353.422 3.396 20 5 FGBDMN COc1ccc(-c2n[nH]c(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000133837658 495068163 /nfs/dbraw/zinc/06/81/63/495068163.db2.gz AVAHMFKYXUVEKW-UHFFFAOYSA-N 0 1 370.390 3.364 20 5 FGBDMN Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000119098752 495092465 /nfs/dbraw/zinc/09/24/65/495092465.db2.gz NRGNILOGCAUHCI-GOSISDBHSA-N 0 1 371.437 3.300 20 5 FGBDMN Cc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000128750570 495145089 /nfs/dbraw/zinc/14/50/89/495145089.db2.gz ZVJKMMQBIZJOLH-UHFFFAOYSA-N 0 1 355.803 3.369 20 5 FGBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000123674432 495170116 /nfs/dbraw/zinc/17/01/16/495170116.db2.gz JEZICMBKUFGXPD-CQSZACIVSA-N 0 1 368.386 3.172 20 5 FGBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124135883 495239349 /nfs/dbraw/zinc/23/93/49/495239349.db2.gz FLKQQNLSAZTOTK-INIZCTEOSA-N 0 1 373.409 3.291 20 5 FGBDMN C[C@H](CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000119799509 495243948 /nfs/dbraw/zinc/24/39/48/495243948.db2.gz VVKHAVLRDMZHQF-MRXNPFEDSA-N 0 1 353.422 3.156 20 5 FGBDMN Cc1cn2c(n1)CC[C@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000113331903 495297599 /nfs/dbraw/zinc/29/75/99/495297599.db2.gz AXNGWPVXZHWZBS-AWEZNQCLSA-N 0 1 369.450 3.328 20 5 FGBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000124822384 495349184 /nfs/dbraw/zinc/34/91/84/495349184.db2.gz MSSNXLJDZJJVMW-ZDUSSCGKSA-N 0 1 373.409 3.291 20 5 FGBDMN CN(C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000136107389 495356881 /nfs/dbraw/zinc/35/68/81/495356881.db2.gz BQXXCQZFGRRYFZ-GFCCVEGCSA-N 0 1 353.831 3.342 20 5 FGBDMN Cc1cccnc1[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000120843718 495469408 /nfs/dbraw/zinc/46/94/08/495469408.db2.gz WTECTPMJCMLQLF-GOSISDBHSA-N 0 1 356.426 3.248 20 5 FGBDMN NC(=O)c1ccc(CN(Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115561864 495517560 /nfs/dbraw/zinc/51/75/60/495517560.db2.gz RIAOPVMHPMPGDC-UHFFFAOYSA-N 0 1 357.385 3.245 20 5 FGBDMN CC(C)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000179572540 495645514 /nfs/dbraw/zinc/64/55/14/495645514.db2.gz LFDJEVQHBISZHM-UHFFFAOYSA-N 0 1 357.385 3.148 20 5 FGBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1COc2ccccc21 ZINC000185633417 495656039 /nfs/dbraw/zinc/65/60/39/495656039.db2.gz IVTZNZYCAZPBSU-WBMJQRKESA-N 0 1 366.377 3.299 20 5 FGBDMN Cc1c(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000159461238 495737054 /nfs/dbraw/zinc/73/70/54/495737054.db2.gz FYJBDYWJMCLYOR-GOSISDBHSA-N 0 1 371.437 3.382 20 5 FGBDMN NC(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000155021140 495806631 /nfs/dbraw/zinc/80/66/31/495806631.db2.gz PMUNWKFFSUJUNJ-CQSZACIVSA-N 0 1 373.384 3.224 20 5 FGBDMN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171332580 495824826 /nfs/dbraw/zinc/82/48/26/495824826.db2.gz GADWNSZDJZZVKS-SFHVURJKSA-N 0 1 373.372 3.386 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000171369020 495842086 /nfs/dbraw/zinc/84/20/86/495842086.db2.gz AXXMDLBHAMTUTD-GFCCVEGCSA-N 0 1 371.422 3.467 20 5 FGBDMN CCC(CC)[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000183213757 495883339 /nfs/dbraw/zinc/88/33/39/495883339.db2.gz UFLMSRUCXHWOGZ-WBMJQRKESA-N 0 1 360.414 3.185 20 5 FGBDMN CC1=C[C@@H](C)C[C@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000571768043 505810689 /nfs/dbraw/zinc/81/06/89/505810689.db2.gz SSQWFWXPVXWUJK-HIFRSBDPSA-N 0 1 363.483 3.407 20 5 FGBDMN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174326604 495911807 /nfs/dbraw/zinc/91/18/07/495911807.db2.gz IRTJTBFOALZQSJ-IBGZPJMESA-N 0 1 353.422 3.266 20 5 FGBDMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180394674 495978875 /nfs/dbraw/zinc/97/88/75/495978875.db2.gz QBDYYCOFCNJAAP-OAHLLOKOSA-N 0 1 353.422 3.093 20 5 FGBDMN CCNC(=O)N1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180945211 496211641 /nfs/dbraw/zinc/21/16/41/496211641.db2.gz MJZUYTKSUIDHMO-MJGOQNOKSA-N 0 1 368.437 3.078 20 5 FGBDMN Cc1c(NC(=O)NCCN(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000175088231 496242809 /nfs/dbraw/zinc/24/28/09/496242809.db2.gz YPMJQEQLCJKKBV-UHFFFAOYSA-N 0 1 360.389 3.296 20 5 FGBDMN C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000152793423 496259515 /nfs/dbraw/zinc/25/95/15/496259515.db2.gz JJAICUAQPIVPCG-UZLBHIALSA-N 0 1 355.438 3.319 20 5 FGBDMN CC(C)OC(=O)C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000184451232 496389289 /nfs/dbraw/zinc/38/92/89/496389289.db2.gz UPDYPNLTXDQIMM-OAHLLOKOSA-N 0 1 350.415 3.027 20 5 FGBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(C2CCC2)n[nH]1 ZINC000184544265 496432610 /nfs/dbraw/zinc/43/26/10/496432610.db2.gz KSPBMKRQILPCMF-UHFFFAOYSA-N 0 1 367.818 3.365 20 5 FGBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1n[nH]c(C2CCC2)n1 ZINC000184544265 496432619 /nfs/dbraw/zinc/43/26/19/496432619.db2.gz KSPBMKRQILPCMF-UHFFFAOYSA-N 0 1 367.818 3.365 20 5 FGBDMN CSc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000181751849 496529504 /nfs/dbraw/zinc/52/95/04/496529504.db2.gz RROKGWAOGSXFIN-UHFFFAOYSA-N 0 1 360.363 3.396 20 5 FGBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000181830473 496563755 /nfs/dbraw/zinc/56/37/55/496563755.db2.gz BWLBTJBLWLMXLU-AWEZNQCLSA-N 0 1 359.401 3.352 20 5 FGBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000181837167 496566381 /nfs/dbraw/zinc/56/63/81/496566381.db2.gz KILVGYIXHXMMLZ-CQSZACIVSA-N 0 1 373.457 3.452 20 5 FGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c2cccnc21 ZINC000184968622 496604390 /nfs/dbraw/zinc/60/43/90/496604390.db2.gz GJVRDZSVZMSYEE-UHFFFAOYSA-N 0 1 369.402 3.433 20 5 FGBDMN O=[N+]([O-])c1cccc(Cl)c1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000153930414 496627465 /nfs/dbraw/zinc/62/74/65/496627465.db2.gz RJQMBQAJQDWJPK-OAHLLOKOSA-N 0 1 362.813 3.046 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ncc(C)s1 ZINC000185039521 496632906 /nfs/dbraw/zinc/63/29/06/496632906.db2.gz MKAKYVAOACFTPT-LLVKDONJSA-N 0 1 364.427 3.048 20 5 FGBDMN Cc1c(CN[C@H](CN2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000182164105 496694028 /nfs/dbraw/zinc/69/40/28/496694028.db2.gz WCMLURFNXBZKMK-LJQANCHMSA-N 0 1 355.438 3.066 20 5 FGBDMN CC[C@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000182193453 496702663 /nfs/dbraw/zinc/70/26/63/496702663.db2.gz KRQAMBMAZIXPOB-DYVFJYSZSA-N 0 1 365.455 3.014 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000188190195 496712360 /nfs/dbraw/zinc/71/23/60/496712360.db2.gz NVQSYVSSBWIWII-VIFPVBQESA-N 0 1 359.411 3.323 20 5 FGBDMN COc1ccc(OCCN[C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185305065 496727083 /nfs/dbraw/zinc/72/70/83/496727083.db2.gz GUEJIROTVUPHHV-MRXNPFEDSA-N 0 1 363.439 3.488 20 5 FGBDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191377222 496742984 /nfs/dbraw/zinc/74/29/84/496742984.db2.gz JXDFKISWXQQIPO-LSDHHAIUSA-N 0 1 360.414 3.328 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000273372944 496786899 /nfs/dbraw/zinc/78/68/99/496786899.db2.gz GXUSDHSHVNBTCY-LLVKDONJSA-N 0 1 374.376 3.141 20 5 FGBDMN COc1cc(CNc2ccc(C(=O)N3CCCC3)cc2)cc([N+](=O)[O-])c1O ZINC000195086783 496817817 /nfs/dbraw/zinc/81/78/17/496817817.db2.gz FMJSEDXJRNGMOZ-UHFFFAOYSA-N 0 1 371.393 3.157 20 5 FGBDMN COC(=O)COc1c(C)cc(CNCc2ccccc2[N+](=O)[O-])cc1C ZINC000237171780 497200418 /nfs/dbraw/zinc/20/04/18/497200418.db2.gz CNZDXKHTPHHTNX-UHFFFAOYSA-N 0 1 358.394 3.053 20 5 FGBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C1)CCCC2 ZINC000275319546 497288120 /nfs/dbraw/zinc/28/81/20/497288120.db2.gz OOYKOLRGOSMAAP-AWEZNQCLSA-N 0 1 372.400 3.205 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000572147594 505901037 /nfs/dbraw/zinc/90/10/37/505901037.db2.gz RYECHHDMIAAVHV-ZDUSSCGKSA-N 0 1 353.382 3.035 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c3ncccc23)ccc1[N+](=O)[O-] ZINC000193127329 497309884 /nfs/dbraw/zinc/30/98/84/497309884.db2.gz YKLWLIAHLCIIHA-UHFFFAOYSA-N 0 1 373.390 3.261 20 5 FGBDMN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000193700704 497450865 /nfs/dbraw/zinc/45/08/65/497450865.db2.gz UMMKYVUIRPNXCI-QFYYESIMSA-N 0 1 363.801 3.122 20 5 FGBDMN COc1cccc2c1CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000193707099 497453288 /nfs/dbraw/zinc/45/32/88/497453288.db2.gz RQAYXGCEGDHPKW-UHFFFAOYSA-N 0 1 353.378 3.345 20 5 FGBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000245703622 497510049 /nfs/dbraw/zinc/51/00/49/497510049.db2.gz MESZOHZXHLMTBM-HUUCEWRRSA-N 0 1 361.442 3.027 20 5 FGBDMN CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000194034296 497554229 /nfs/dbraw/zinc/55/42/29/497554229.db2.gz UTATZZYRDMXRFV-UHFFFAOYSA-N 0 1 350.396 3.321 20 5 FGBDMN Cc1cc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)on1 ZINC000272890525 497753724 /nfs/dbraw/zinc/75/37/24/497753724.db2.gz XQEKRSWSBLCTTH-UHFFFAOYSA-N 0 1 367.409 3.070 20 5 FGBDMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246941417 497821434 /nfs/dbraw/zinc/82/14/34/497821434.db2.gz IUBNWLXTCODFRD-RDTXWAMCSA-N 0 1 369.425 3.022 20 5 FGBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280628509 497832808 /nfs/dbraw/zinc/83/28/08/497832808.db2.gz XCHFILQZEXOMQQ-BONVTDFDSA-N 0 1 366.215 3.137 20 5 FGBDMN COc1ccc([C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000299524433 497834728 /nfs/dbraw/zinc/83/47/28/497834728.db2.gz AWDXFPXQPIMPTO-CYBMUJFWSA-N 0 1 366.377 3.109 20 5 FGBDMN Cn1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000364341172 497907666 /nfs/dbraw/zinc/90/76/66/497907666.db2.gz TVPATPKDVBDSIY-KRWDZBQOSA-N 0 1 366.425 3.029 20 5 FGBDMN CCN1CCN(c2ccc(CNc3ccc(C)cc3[N+](=O)[O-])cn2)CC1 ZINC000301435460 498108923 /nfs/dbraw/zinc/10/89/23/498108923.db2.gz JHHXIXCUHBRUCZ-UHFFFAOYSA-N 0 1 355.442 3.052 20 5 FGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281330313 498108965 /nfs/dbraw/zinc/10/89/65/498108965.db2.gz LVEWICYANYHFOW-LLVKDONJSA-N 0 1 359.348 3.046 20 5 FGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000296690815 498154897 /nfs/dbraw/zinc/15/48/97/498154897.db2.gz JTNPJYJJGUJXBI-STQMWFEESA-N 0 1 359.451 3.280 20 5 FGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289468136 498158434 /nfs/dbraw/zinc/15/84/34/498158434.db2.gz MSTDSULSCLXZMW-VXGBXAGGSA-N 0 1 359.348 3.046 20 5 FGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289468136 498158438 /nfs/dbraw/zinc/15/84/38/498158438.db2.gz MSTDSULSCLXZMW-VXGBXAGGSA-N 0 1 359.348 3.046 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccn5cncc5c4)no3)c2c1 ZINC000351073399 498174817 /nfs/dbraw/zinc/17/48/17/498174817.db2.gz FXZVOAWNZXIWEB-UHFFFAOYSA-N 0 1 360.333 3.365 20 5 FGBDMN Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302160627 498422223 /nfs/dbraw/zinc/42/22/23/498422223.db2.gz JTPDZGWLOVDETD-UHFFFAOYSA-N 0 1 368.437 3.290 20 5 FGBDMN CNC(=O)c1ccc(CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000302162020 498423969 /nfs/dbraw/zinc/42/39/69/498423969.db2.gz KAONWBOJRQGKOZ-UHFFFAOYSA-N 0 1 364.405 3.447 20 5 FGBDMN CC(=O)N[C@H](C)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302332175 498468233 /nfs/dbraw/zinc/46/82/33/498468233.db2.gz ADLJFWXMNPTYRY-CYBMUJFWSA-N 0 1 356.426 3.192 20 5 FGBDMN O=C(CN[C@H](c1ccccn1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000362292870 498489526 /nfs/dbraw/zinc/48/95/26/498489526.db2.gz FECVWGKYBSYLCJ-IBGZPJMESA-N 0 1 354.410 3.449 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ncc(C2OCCO2)s1 ZINC000290375828 498528699 /nfs/dbraw/zinc/52/86/99/498528699.db2.gz NOSDXHYDFDXCKO-UHFFFAOYSA-N 0 1 369.830 3.082 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000332133318 498574784 /nfs/dbraw/zinc/57/47/84/498574784.db2.gz KILRKZPFXDHQMQ-SNVBAGLBSA-N 0 1 364.352 3.349 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282628513 498587609 /nfs/dbraw/zinc/58/76/09/498587609.db2.gz KACZQDSQGIJEML-GFCCVEGCSA-N 0 1 359.386 3.046 20 5 FGBDMN Cc1cc(NCC[N@H+]2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569977627 506060056 /nfs/dbraw/zinc/06/00/56/506060056.db2.gz QMAJECXCGYDSPS-UHFFFAOYSA-N 0 1 361.423 3.133 20 5 FGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000294511796 498714633 /nfs/dbraw/zinc/71/46/33/498714633.db2.gz JRXSIIAFKMXZMM-MRVPVSSYSA-N 0 1 371.319 3.346 20 5 FGBDMN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H](c1ccccc1)N(C)C ZINC000290966553 498739422 /nfs/dbraw/zinc/73/94/22/498739422.db2.gz PGDFTCHWYWNFFQ-YVEFUNNKSA-N 0 1 367.409 3.347 20 5 FGBDMN COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600233 498752457 /nfs/dbraw/zinc/75/24/57/498752457.db2.gz GPCLIDPGYVBQDM-MAUKXSAKSA-N 0 1 355.438 3.356 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000363364167 498780819 /nfs/dbraw/zinc/78/08/19/498780819.db2.gz LIEWXNBCIPKZNG-KRWDZBQOSA-N 0 1 365.393 3.137 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1 ZINC000283165101 498803309 /nfs/dbraw/zinc/80/33/09/498803309.db2.gz KOUCKROZEFMKLW-LBPRGKRZSA-N 0 1 360.439 3.368 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000573088512 506115942 /nfs/dbraw/zinc/11/59/42/506115942.db2.gz LWPTZTYOMGXCGR-UHFFFAOYSA-N 0 1 354.366 3.108 20 5 FGBDMN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000295554416 499049971 /nfs/dbraw/zinc/04/99/71/499049971.db2.gz KNWWXISLRBCKHE-CQSZACIVSA-N 0 1 372.425 3.366 20 5 FGBDMN O=C(NC[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC000367348301 499186179 /nfs/dbraw/zinc/18/61/79/499186179.db2.gz HHCHXJJKJQRWDM-KZJSRBBCSA-N 0 1 369.421 3.343 20 5 FGBDMN C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370535350 499229534 /nfs/dbraw/zinc/22/95/34/499229534.db2.gz YCULHPAWUHVJHM-GDBMZVCRSA-N 0 1 369.421 3.083 20 5 FGBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000582135030 506141963 /nfs/dbraw/zinc/14/19/63/506141963.db2.gz FIWFSIHJYUHCIA-UHFFFAOYSA-N 0 1 360.385 3.009 20 5 FGBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000368976143 499352688 /nfs/dbraw/zinc/35/26/88/499352688.db2.gz ZZSYHCLGWYFGOD-OAHLLOKOSA-N 0 1 351.366 3.016 20 5 FGBDMN Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573210677 506144638 /nfs/dbraw/zinc/14/46/38/506144638.db2.gz RVIUBHHVDPMRRE-ZNMIVQPWSA-N 0 1 361.442 3.443 20 5 FGBDMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000369282742 499387562 /nfs/dbraw/zinc/38/75/62/499387562.db2.gz IXJXGYHKVHRANG-RHSMWYFYSA-N 0 1 364.833 3.070 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000372453065 499436843 /nfs/dbraw/zinc/43/68/43/499436843.db2.gz GIYNQQDNQPIOTF-LBPRGKRZSA-N 0 1 354.410 3.136 20 5 FGBDMN Cc1ccc(CN2CCC(C(=O)Nc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000378377633 499509134 /nfs/dbraw/zinc/50/91/34/499509134.db2.gz OIDHSHVCCYNMAQ-UHFFFAOYSA-N 0 1 354.410 3.149 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000398227250 499567347 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ZINC000429731963 500134371 /nfs/dbraw/zinc/13/43/71/500134371.db2.gz UXTSJUUYMJOYGW-UHFFFAOYSA-N 0 1 357.410 3.220 20 5 FGBDMN COC(=O)COc1ccc(CN(C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000430109859 500193637 /nfs/dbraw/zinc/19/36/37/500193637.db2.gz FMZGPJPHOBXVPL-UHFFFAOYSA-N 0 1 372.421 3.395 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000430194196 500207264 /nfs/dbraw/zinc/20/72/64/500207264.db2.gz IFRCOWODFMNFRJ-QGZVFWFLSA-N 0 1 352.394 3.400 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000426966331 500340042 /nfs/dbraw/zinc/34/00/42/500340042.db2.gz UQRMAFXPGMCYPO-MRXNPFEDSA-N 0 1 373.409 3.072 20 5 FGBDMN CCN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427202068 500366107 /nfs/dbraw/zinc/36/61/07/500366107.db2.gz AIKBIKHPTRCMLK-UHFFFAOYSA-N 0 1 367.755 3.252 20 5 FGBDMN Cc1cc(C)n(-c2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)n1 ZINC000427894699 500443497 /nfs/dbraw/zinc/44/34/97/500443497.db2.gz JNKWPZTUSDEJKT-UHFFFAOYSA-N 0 1 352.350 3.355 20 5 FGBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000428029211 500459588 /nfs/dbraw/zinc/45/95/88/500459588.db2.gz YGHGWBVDRBPNMW-UHFFFAOYSA-N 0 1 367.155 3.324 20 5 FGBDMN CCOC(=O)[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1C ZINC000428396591 500505651 /nfs/dbraw/zinc/50/56/51/500505651.db2.gz DILZBHWRFDCCFZ-SFHVURJKSA-N 0 1 358.394 3.311 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000432483849 500521547 /nfs/dbraw/zinc/52/15/47/500521547.db2.gz RJLVWGJTKRNCLV-IBGZPJMESA-N 0 1 363.373 3.347 20 5 FGBDMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436962048 500580246 /nfs/dbraw/zinc/58/02/46/500580246.db2.gz BFZPYDPTUQUDSG-INIZCTEOSA-N 0 1 361.442 3.075 20 5 FGBDMN COC(=O)COc1ccc(CN(C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000432892450 500586609 /nfs/dbraw/zinc/58/66/09/500586609.db2.gz PCAJSRBMWYOYMN-UHFFFAOYSA-N 0 1 372.421 3.395 20 5 FGBDMN COc1cc(CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528238 506208081 /nfs/dbraw/zinc/20/80/81/506208081.db2.gz YFVZZBPVFWVCSY-LPHOPBHVSA-N 0 1 359.401 3.278 20 5 FGBDMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447728793 500654411 /nfs/dbraw/zinc/65/44/11/500654411.db2.gz MMEGHYVIPRPNQW-KRWDZBQOSA-N 0 1 355.394 3.161 20 5 FGBDMN Cc1ccc(-c2cc(=NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)[nH][nH]2)o1 ZINC000447802396 500665146 /nfs/dbraw/zinc/66/51/46/500665146.db2.gz KIJINBNVWALNQM-LLVKDONJSA-N 0 1 372.406 3.428 20 5 FGBDMN CCC[C@H](NCc1cc(=O)n2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000573570727 506212969 /nfs/dbraw/zinc/21/29/69/506212969.db2.gz KXXNHDUCWQXQJH-KRWDZBQOSA-N 0 1 352.394 3.234 20 5 FGBDMN CC[C@@H](C)[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000443927506 500779295 /nfs/dbraw/zinc/77/92/95/500779295.db2.gz LYIIIDHZNHNPMA-PELKAZGASA-N 0 1 354.350 3.159 20 5 FGBDMN Cc1cccc(NC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000434236281 500814531 /nfs/dbraw/zinc/81/45/31/500814531.db2.gz JYUNBEYPNORDKP-UHFFFAOYSA-N 0 1 371.441 3.466 20 5 FGBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444305973 500832231 /nfs/dbraw/zinc/83/22/31/500832231.db2.gz ANYZBKIWJQESNG-UHFFFAOYSA-N 0 1 359.389 3.319 20 5 FGBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444305973 500832235 /nfs/dbraw/zinc/83/22/35/500832235.db2.gz ANYZBKIWJQESNG-UHFFFAOYSA-N 0 1 359.389 3.319 20 5 FGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCOCc1ccccc1 ZINC000439489570 500905859 /nfs/dbraw/zinc/90/58/59/500905859.db2.gz DATOCDIZNPBWHQ-MRXNPFEDSA-N 0 1 371.437 3.461 20 5 FGBDMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000440026228 500967412 /nfs/dbraw/zinc/96/74/12/500967412.db2.gz LHAQCCPMSAUABR-LJQANCHMSA-N 0 1 374.441 3.245 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC000445579281 501005634 /nfs/dbraw/zinc/00/56/34/501005634.db2.gz JHTXATZOKZMWKN-UHFFFAOYSA-N 0 1 371.744 3.089 20 5 FGBDMN 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/nfs/dbraw/zinc/15/34/28/501153428.db2.gz JSMCKDKPUHDULV-FQEVSTJZSA-N 0 1 372.421 3.228 20 5 FGBDMN CS[C@@H]1CCCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450273344 501223369 /nfs/dbraw/zinc/22/33/69/501223369.db2.gz GLANZLOVINBKGU-CQSZACIVSA-N 0 1 360.439 3.343 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCC[N@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280521 501307134 /nfs/dbraw/zinc/30/71/34/501307134.db2.gz BXXNYXOJOYPMHN-TZIWHRDSSA-N 0 1 369.465 3.121 20 5 FGBDMN COC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110727 501437535 /nfs/dbraw/zinc/43/75/35/501437535.db2.gz ZNJCNXDFTXQVDZ-KGLIPLIRSA-N 0 1 360.414 3.454 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452172357 501452346 /nfs/dbraw/zinc/45/23/46/501452346.db2.gz WJXNNKAWMAWULL-KBPBESRZSA-N 0 1 363.483 3.018 20 5 FGBDMN CC[C@H](C)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000456567046 501549543 /nfs/dbraw/zinc/54/95/43/501549543.db2.gz 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3.309 20 5 FGBDMN CCOC[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000458096388 501371846 /nfs/dbraw/zinc/37/18/46/501371846.db2.gz RAOJNZMLZVYBOG-OAHLLOKOSA-N 0 1 358.398 3.016 20 5 FGBDMN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)c1cc[nH]c(=O)c1 ZINC000602675059 506256455 /nfs/dbraw/zinc/25/64/55/506256455.db2.gz JGQSZXZKRVWQSS-ZETCQYMHSA-N 0 1 358.217 3.370 20 5 FGBDMN O=C(c1csc(=NC2CC2)[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853597 501574675 /nfs/dbraw/zinc/57/46/75/501574675.db2.gz OGGJOMSABYPFMT-ZDUSSCGKSA-N 0 1 372.450 3.067 20 5 FGBDMN CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCN(CCC(F)(F)F)CC1 ZINC000457093004 501649042 /nfs/dbraw/zinc/64/90/42/501649042.db2.gz XWYWEYLZLCPKSA-UHFFFAOYSA-N 0 1 365.377 3.145 20 5 FGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(Cn2cnnc2)CC1 ZINC000602700875 506266161 /nfs/dbraw/zinc/26/61/61/506266161.db2.gz WYQFJMDBVKTCQD-UHFFFAOYSA-N 0 1 369.347 3.117 20 5 FGBDMN COC(=O)COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000467195553 501733471 /nfs/dbraw/zinc/73/34/71/501733471.db2.gz MDWYRMXAQZMXSS-CYBMUJFWSA-N 0 1 374.393 3.006 20 5 FGBDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000485398969 501809790 /nfs/dbraw/zinc/80/97/90/501809790.db2.gz ABCJGJVQAOBQSI-JTQLQIEISA-N 0 1 356.361 3.071 20 5 FGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000467507503 501810240 /nfs/dbraw/zinc/81/02/40/501810240.db2.gz FLUKQVZCINHKTN-SNVBAGLBSA-N 0 1 374.397 3.407 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-] ZINC000474395136 501820822 /nfs/dbraw/zinc/82/08/22/501820822.db2.gz TUOTYBWJNKZRME-UHFFFAOYSA-N 0 1 372.349 3.348 20 5 FGBDMN CN(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)F ZINC000599021620 506281677 /nfs/dbraw/zinc/28/16/77/506281677.db2.gz CKZOFAWYCUGXKJ-UHFFFAOYSA-N 0 1 356.398 3.005 20 5 FGBDMN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c(F)c1 ZINC000478273497 501928468 /nfs/dbraw/zinc/92/84/68/501928468.db2.gz NBWIDGQKIQOGAL-HZPDHXFCSA-N 0 1 354.328 3.061 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000468191491 501983419 /nfs/dbraw/zinc/98/34/19/501983419.db2.gz HXUNBCCUGOXDPX-UHFFFAOYSA-N 0 1 373.369 3.493 20 5 FGBDMN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000474896290 501983581 /nfs/dbraw/zinc/98/35/81/501983581.db2.gz ZLGITKYFPXVFOA-UHFFFAOYSA-N 0 1 370.405 3.417 20 5 FGBDMN COc1cc(N2CCC[C@H](c3n[nH]c(C)n3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596161145 506286872 /nfs/dbraw/zinc/28/68/72/506286872.db2.gz SKKYIMGKCOPJDU-JTQLQIEISA-N 0 1 351.794 3.067 20 5 FGBDMN COc1cc(N2CCC[C@H](c3nnc(C)[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596161145 506286878 /nfs/dbraw/zinc/28/68/78/506286878.db2.gz SKKYIMGKCOPJDU-JTQLQIEISA-N 0 1 351.794 3.067 20 5 FGBDMN Cc1cc(N2CCC(Oc3cnccn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000486003880 502015976 /nfs/dbraw/zinc/01/59/76/502015976.db2.gz MILKEQHTYUNALG-UHFFFAOYSA-N 0 1 365.393 3.289 20 5 FGBDMN CCCc1nc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000486112855 502050049 /nfs/dbraw/zinc/05/00/49/502050049.db2.gz AWEKVUFPRNLNIU-UHFFFAOYSA-N 0 1 355.441 3.421 20 5 FGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000602767744 506292815 /nfs/dbraw/zinc/29/28/15/506292815.db2.gz JBSDYPQFDDTGTB-UHFFFAOYSA-N 0 1 356.426 3.003 20 5 FGBDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000475194310 502095691 /nfs/dbraw/zinc/09/56/91/502095691.db2.gz LNQGYMPBUKNDMT-SSDOTTSWSA-N 0 1 372.307 3.177 20 5 FGBDMN Cc1c(CNC(=O)NCc2ccc(F)c(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000478851126 502103936 /nfs/dbraw/zinc/10/39/36/502103936.db2.gz CQGOAZKDJUOPTE-UHFFFAOYSA-N 0 1 374.416 3.103 20 5 FGBDMN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000461427076 502110261 /nfs/dbraw/zinc/11/02/61/502110261.db2.gz GKOJGLKEWWJWRA-UHFFFAOYSA-N 0 1 370.409 3.138 20 5 FGBDMN COC(=O)COc1ccc(CN2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475432774 502170114 /nfs/dbraw/zinc/17/01/14/502170114.db2.gz GAYIXSXMQBCNAZ-UHFFFAOYSA-N 0 1 370.405 3.095 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000483005725 502242556 /nfs/dbraw/zinc/24/25/56/502242556.db2.gz JRDUZJKFGBPGKO-GOSISDBHSA-N 0 1 360.389 3.213 20 5 FGBDMN O=[N+]([O-])c1ccccc1C[C@H](NCc1ncnn1-c1ccccc1)C1CC1 ZINC000479462590 502266414 /nfs/dbraw/zinc/26/64/14/502266414.db2.gz HRHWKZIJOYEWFX-SFHVURJKSA-N 0 1 363.421 3.286 20 5 FGBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000480082449 502467683 /nfs/dbraw/zinc/46/76/83/502467683.db2.gz DOEZNVDNSBNYIF-UHFFFAOYSA-N 0 1 368.397 3.354 20 5 FGBDMN CCN(CCNc1c2ccccc2ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000487761075 502523997 /nfs/dbraw/zinc/52/39/97/502523997.db2.gz KZSFTUQLJMHBQR-UHFFFAOYSA-N 0 1 356.348 3.251 20 5 FGBDMN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509392607 502890591 /nfs/dbraw/zinc/89/05/91/502890591.db2.gz RPPWGHLWUNJSSJ-UHFFFAOYSA-N 0 1 361.301 3.118 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000489228880 502906092 /nfs/dbraw/zinc/90/60/92/502906092.db2.gz YSMUPFMXXPPASZ-WDEREUQCSA-N 0 1 370.413 3.128 20 5 FGBDMN COc1cccc([C@H](C)[NH+]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000513387018 502922602 /nfs/dbraw/zinc/92/26/02/502922602.db2.gz UMCIDIZDFMWQAR-HNNXBMFYSA-N 0 1 371.437 3.188 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000489453979 502962738 /nfs/dbraw/zinc/96/27/38/502962738.db2.gz APIGPXIRMAPRFS-SFHVURJKSA-N 0 1 370.384 3.248 20 5 FGBDMN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)nc2c1 ZINC000506178171 503063609 /nfs/dbraw/zinc/06/36/09/503063609.db2.gz OXFSFFNCUAKDQG-QGZVFWFLSA-N 0 1 366.377 3.462 20 5 FGBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000506178171 503063614 /nfs/dbraw/zinc/06/36/14/503063614.db2.gz OXFSFFNCUAKDQG-QGZVFWFLSA-N 0 1 366.377 3.462 20 5 FGBDMN O=C(c1ccccc1)N1CC[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000514079776 503082306 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FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000507306007 503274334 /nfs/dbraw/zinc/27/43/34/503274334.db2.gz SMYKDUKLVRIUAL-IBGZPJMESA-N 0 1 370.405 3.164 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc3c(c2)CCCC3)cc1 ZINC000491336930 503298228 /nfs/dbraw/zinc/29/82/28/503298228.db2.gz XUDIIENCJPGPAV-UHFFFAOYSA-N 0 1 374.462 3.037 20 5 FGBDMN COc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491755872 503328664 /nfs/dbraw/zinc/32/86/64/503328664.db2.gz ACSDVSVYXCGEJL-UHFFFAOYSA-N 0 1 354.359 3.160 20 5 FGBDMN O=C([O-])c1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000515440555 503338874 /nfs/dbraw/zinc/33/88/74/503338874.db2.gz BMCCXVIPDRHSCM-DAXSKMNVSA-N 0 1 367.405 3.128 20 5 FGBDMN O=[N+]([O-])c1cnccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511670391 503366852 /nfs/dbraw/zinc/36/68/52/503366852.db2.gz HJLOHVIPRQVSAG-AWEZNQCLSA-N 0 1 366.343 3.117 20 5 FGBDMN C[C@@H](c1ccc2c(c1)CCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515576758 503368230 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369.263 3.124 20 5 FGBDMN Cc1c(Br)c(N2CC[C@@H](N3CCCC3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000517037483 503649073 /nfs/dbraw/zinc/64/90/73/503649073.db2.gz SUWMCLBIKRVJLG-NWDGAFQWSA-N 0 1 369.263 3.124 20 5 FGBDMN Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc2cccnc12 ZINC000543393538 503752132 /nfs/dbraw/zinc/75/21/32/503752132.db2.gz ILDMUIJBRDRNEO-UHFFFAOYSA-N 0 1 363.421 3.169 20 5 FGBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000540395587 503758755 /nfs/dbraw/zinc/75/87/55/503758755.db2.gz ASYMSQBFISWQNM-CHWSQXEVSA-N 0 1 363.439 3.378 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000543634288 503835536 /nfs/dbraw/zinc/83/55/36/503835536.db2.gz SUQWLQPOVUJLAS-CQSZACIVSA-N 0 1 359.813 3.452 20 5 FGBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000533436652 503844733 /nfs/dbraw/zinc/84/47/33/503844733.db2.gz YEITZDKTIVXCOZ-UHFFFAOYSA-N 0 1 356.220 3.170 20 5 FGBDMN Cn1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000540860190 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Cc1nnc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246856 497302060 /nfs/dbraw/zinc/30/20/60/497302060.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 0 1 367.356 3.002 20 5 FGBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCC(F)(F)F ZINC000237874977 497305831 /nfs/dbraw/zinc/30/58/31/497305831.db2.gz ZAYNXHGSPWDPGY-UHFFFAOYSA-N 0 1 373.356 3.091 20 5 FGBDMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000271575075 497387696 /nfs/dbraw/zinc/38/76/96/497387696.db2.gz WEEULRLCYIVRPJ-DOMZBBRYSA-N 0 1 372.450 3.441 20 5 FGBDMN COC(=O)c1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000271645427 497407636 /nfs/dbraw/zinc/40/76/36/497407636.db2.gz HZEPCDSTXYOVCQ-LBPRGKRZSA-N 0 1 372.377 3.019 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)o2)cc1 ZINC000279348943 497413797 /nfs/dbraw/zinc/41/37/97/497413797.db2.gz VJDNQCPPJPNEFQ-OIISXLGYSA-N 0 1 370.409 3.082 20 5 FGBDMN COc1cccc(C2(NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000271710311 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CPAOCHZXNNUOLJ-GOSISDBHSA-N 0 1 357.410 3.469 20 5 FGBDMN Cc1cc(C(=O)N(C)C2CCN(Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000368817072 499335874 /nfs/dbraw/zinc/33/58/74/499335874.db2.gz HBMUOXOKNNSBRB-UHFFFAOYSA-N 0 1 368.437 3.035 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000373693142 499483702 /nfs/dbraw/zinc/48/37/02/499483702.db2.gz AVYUYTGDFFMMJC-MRXNPFEDSA-N 0 1 366.381 3.241 20 5 FGBDMN Cn1cc([C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378649710 499540814 /nfs/dbraw/zinc/54/08/14/499540814.db2.gz KRCYLFNVSNHCQV-LJQANCHMSA-N 0 1 352.394 3.086 20 5 FGBDMN CCNc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000383604932 499546770 /nfs/dbraw/zinc/54/67/70/499546770.db2.gz WFZBNVDELPZKDS-OAHLLOKOSA-N 0 1 370.453 3.277 20 5 FGBDMN C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000396416797 499563183 /nfs/dbraw/zinc/56/31/83/499563183.db2.gz LQFUGJXEGNPSNI-AWEZNQCLSA-N 0 1 355.394 3.004 20 5 FGBDMN O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408450182 499589133 /nfs/dbraw/zinc/58/91/33/499589133.db2.gz CYJCKCAHKMOGEZ-IBGZPJMESA-N 0 1 357.454 3.277 20 5 FGBDMN Cc1cccc(N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000409650424 499612115 /nfs/dbraw/zinc/61/21/15/499612115.db2.gz GOVYDMULMXGWBS-UHFFFAOYSA-N 0 1 355.438 3.494 20 5 FGBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411130424 499701048 /nfs/dbraw/zinc/70/10/48/499701048.db2.gz DCUWJDIZNLVLBI-RCCFBDPRSA-N 0 1 369.421 3.245 20 5 FGBDMN COCc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414368476 499781989 /nfs/dbraw/zinc/78/19/89/499781989.db2.gz GYRLFZKESQTMGI-UHFFFAOYSA-N 0 1 350.396 3.159 20 5 FGBDMN Cc1cc(C[NH+](C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000414461738 499795219 /nfs/dbraw/zinc/79/52/19/499795219.db2.gz OVXQBFKXCCPUHE-UHFFFAOYSA-N 0 1 363.439 3.074 20 5 FGBDMN O=C1C[C@@]2(CCN(CCc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC000411976927 499808574 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ZINC000506119505 503051668 /nfs/dbraw/zinc/05/16/68/503051668.db2.gz UZCKJHAVLWSVRD-UHFFFAOYSA-N 0 1 368.389 3.344 20 5 FGBDMN COc1cc2nc(C)sc2cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506210492 503070751 /nfs/dbraw/zinc/07/07/51/503070751.db2.gz NTAQCERGZWFXGD-UHFFFAOYSA-N 0 1 359.363 3.479 20 5 FGBDMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000602917723 506351489 /nfs/dbraw/zinc/35/14/89/506351489.db2.gz IIFCEQDDOZEWRO-QBIMZIAESA-N 0 1 355.394 3.042 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(C2CC2)cc1F ZINC000490026100 503093605 /nfs/dbraw/zinc/09/36/05/503093605.db2.gz OTLXDTLLOXOJDQ-UHFFFAOYSA-N 0 1 368.361 3.229 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000602917780 506351754 /nfs/dbraw/zinc/35/17/54/506351754.db2.gz IXZJSPJXZQDZCU-BJZITVGISA-N 0 1 369.421 3.350 20 5 FGBDMN COc1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000490084238 503106168 /nfs/dbraw/zinc/10/61/68/503106168.db2.gz CBEAPUSHHJHJSL-GOSISDBHSA-N 0 1 356.422 3.437 20 5 FGBDMN COc1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000490084241 503106313 /nfs/dbraw/zinc/10/63/13/503106313.db2.gz CBEAPUSHHJHJSL-SFHVURJKSA-N 0 1 356.422 3.437 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)COCC2CC2)c2ccccc2)c1 ZINC000490178552 503124167 /nfs/dbraw/zinc/12/41/67/503124167.db2.gz ODDBPXBNPWOVGN-PMACEKPBSA-N 0 1 356.422 3.061 20 5 FGBDMN COc1cc(CN2CCCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538165 503138390 /nfs/dbraw/zinc/13/83/90/503138390.db2.gz LIHGRHBLIVXXKE-UHFFFAOYSA-N 0 1 372.421 3.405 20 5 FGBDMN CC1=CCN(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506654174 503150699 /nfs/dbraw/zinc/15/06/99/503150699.db2.gz NXQHGNMESLCZQG-UHFFFAOYSA-N 0 1 372.450 3.100 20 5 FGBDMN Cc1cnc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000502160074 503152645 /nfs/dbraw/zinc/15/26/45/503152645.db2.gz REWCXHHEQHRLBQ-CQSZACIVSA-N 0 1 350.382 3.425 20 5 FGBDMN Cc1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000502160074 503152649 /nfs/dbraw/zinc/15/26/49/503152649.db2.gz REWCXHHEQHRLBQ-CQSZACIVSA-N 0 1 350.382 3.425 20 5 FGBDMN Cc1ccc(-c2nc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)co2)cc1 ZINC000506723315 503161552 /nfs/dbraw/zinc/16/15/52/503161552.db2.gz FMTNMYFTDDALID-UHFFFAOYSA-N 0 1 353.334 3.194 20 5 FGBDMN Cc1cccc2nc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000498600981 503224283 /nfs/dbraw/zinc/22/42/83/503224283.db2.gz LIVCPYKDZPYFGI-UHFFFAOYSA-N 0 1 352.394 3.374 20 5 FGBDMN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000507078179 503226203 /nfs/dbraw/zinc/22/62/03/503226203.db2.gz RBSVDTPCLIQVJB-CYBMUJFWSA-N 0 1 358.394 3.260 20 5 FGBDMN Cc1ccccc1OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490829023 503233516 /nfs/dbraw/zinc/23/35/16/503233516.db2.gz SREOMYASCQNBRA-IBGZPJMESA-N 0 1 356.422 3.308 20 5 FGBDMN O=C1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000511053565 503242910 /nfs/dbraw/zinc/24/29/10/503242910.db2.gz GGTBTUDFTBJDKN-ZVDOUQERSA-N 0 1 365.433 3.427 20 5 FGBDMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511067687 503245722 /nfs/dbraw/zinc/24/57/22/503245722.db2.gz WNWXCFYLFZVCDP-GOSISDBHSA-N 0 1 371.437 3.495 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498943529 503300363 /nfs/dbraw/zinc/30/03/63/503300363.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 0 1 371.441 3.369 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498943532 503300732 /nfs/dbraw/zinc/30/07/32/503300732.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 0 1 371.441 3.369 20 5 FGBDMN COc1cc(C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491586231 503321423 /nfs/dbraw/zinc/32/14/23/503321423.db2.gz LFZRXWWNWAATPF-UHFFFAOYSA-N 0 1 350.396 3.329 20 5 FGBDMN COc1c(C)cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000507607377 503331379 /nfs/dbraw/zinc/33/13/79/503331379.db2.gz IADWOQYCBFSUMW-GOSISDBHSA-N 0 1 374.437 3.092 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000515901686 503417563 /nfs/dbraw/zinc/41/75/63/503417563.db2.gz GARNPFOPFREHOF-AWEZNQCLSA-N 0 1 353.378 3.320 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CN(C3CC3)CCO2)c2ccccc2)c1 ZINC000494019011 503475637 /nfs/dbraw/zinc/47/56/37/503475637.db2.gz GOELQMFGXOGOHO-SFTDATJTSA-N 0 1 367.449 3.137 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCc1ccc(Cl)cc1 ZINC000503994046 503506871 /nfs/dbraw/zinc/50/68/71/503506871.db2.gz MJLHVBMTDWHZLK-UHFFFAOYSA-N 0 1 372.805 3.298 20 5 FGBDMN COC(=O)c1cc(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000603000657 506376921 /nfs/dbraw/zinc/37/69/21/506376921.db2.gz JDGSOAISSHCDGC-LBPRGKRZSA-N 0 1 359.382 3.310 20 5 FGBDMN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000512861990 503646802 /nfs/dbraw/zinc/64/68/02/503646802.db2.gz RJWOAAYRJXHHGD-CQSZACIVSA-N 0 1 366.849 3.018 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](O)(CC)C2)cc1OC ZINC000495204127 503697830 /nfs/dbraw/zinc/69/78/30/503697830.db2.gz UMAMPBLIEQUOHL-AUUYWEPGSA-N 0 1 366.458 3.375 20 5 FGBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCOCc2ccccc2)CC1 ZINC000543448881 503774774 /nfs/dbraw/zinc/77/47/74/503774774.db2.gz ICLGWGWUKHQISW-UHFFFAOYSA-N 0 1 355.438 3.324 20 5 FGBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000543455821 503777744 /nfs/dbraw/zinc/77/77/44/503777744.db2.gz DBPJSHLCWCUWGJ-HIFRSBDPSA-N 0 1 373.457 3.321 20 5 FGBDMN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC1CCC1 ZINC000533302920 503798929 /nfs/dbraw/zinc/79/89/29/503798929.db2.gz FSFHCVYMPVZUJA-UHFFFAOYSA-N 0 1 360.439 3.389 20 5 FGBDMN Cc1cc(C)c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000543624349 503832344 /nfs/dbraw/zinc/83/23/44/503832344.db2.gz WKYJUMOMFKMKDZ-UHFFFAOYSA-N 0 1 362.451 3.084 20 5 FGBDMN C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)S(C)(=O)=O ZINC000540627710 503837769 /nfs/dbraw/zinc/83/77/69/503837769.db2.gz GLRLLCYDMOYJCB-JTQLQIEISA-N 0 1 372.830 3.031 20 5 FGBDMN CN(C)Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000543643079 503838760 /nfs/dbraw/zinc/83/87/60/503838760.db2.gz XEIAIUQFNIBOHD-UHFFFAOYSA-N 0 1 364.352 3.256 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](COC)C2)cc1OC ZINC000543844617 503913007 /nfs/dbraw/zinc/91/30/07/503913007.db2.gz WZPCALDHJWEDSL-LSDHHAIUSA-N 0 1 366.458 3.497 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1[N+](=O)[O-] ZINC000543858732 503918981 /nfs/dbraw/zinc/91/89/81/503918981.db2.gz SMQXPYIEMAYXJU-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN Cc1ccnc(OC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000543907258 503937346 /nfs/dbraw/zinc/93/73/46/503937346.db2.gz LZHFKTZEQJGVAU-UHFFFAOYSA-N 0 1 357.410 3.220 20 5 FGBDMN COc1cc(CN2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000518331847 503954553 /nfs/dbraw/zinc/95/45/53/503954553.db2.gz HPBAAURKZFUZFX-OAHLLOKOSA-N 0 1 372.368 3.084 20 5 FGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000537697049 504009347 /nfs/dbraw/zinc/00/93/47/504009347.db2.gz LVCQIQPIDFCZEM-STQMWFEESA-N 0 1 356.369 3.445 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000537951680 504093329 /nfs/dbraw/zinc/09/33/29/504093329.db2.gz YYNKNFRXBWXXCO-FZMZJTMJSA-N 0 1 359.348 3.107 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000519183721 504160390 /nfs/dbraw/zinc/16/03/90/504160390.db2.gz VVUOMGMLVQGBHZ-WMLDXEAASA-N 0 1 362.426 3.459 20 5 FGBDMN CCOC(=O)c1cc(N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000534530305 504167962 /nfs/dbraw/zinc/16/79/62/504167962.db2.gz AJEUAFAXFNKHAT-KRWDZBQOSA-N 0 1 355.394 3.370 20 5 FGBDMN CCc1ccc([C@@H](NCCCC(=O)N(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541571190 504181340 /nfs/dbraw/zinc/18/13/40/504181340.db2.gz IWYSSKDOHYMHRY-IBGZPJMESA-N 0 1 359.426 3.298 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000541590385 504189738 /nfs/dbraw/zinc/18/97/38/504189738.db2.gz FASAQAXTCLFILN-KPZWWZAWSA-N 0 1 370.409 3.066 20 5 FGBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1O ZINC000547767334 504217037 /nfs/dbraw/zinc/21/70/37/504217037.db2.gz VLGUIKBJCXHYCU-UHFFFAOYSA-N 0 1 365.183 3.035 20 5 FGBDMN C[C@H](C(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000541679807 504217944 /nfs/dbraw/zinc/21/79/44/504217944.db2.gz CWVDVWRGELIAHA-ZBEGNZNMSA-N 0 1 365.430 3.318 20 5 FGBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000541787546 504255222 /nfs/dbraw/zinc/25/52/22/504255222.db2.gz QOLGGTNRMSBMIB-INIZCTEOSA-N 0 1 364.352 3.297 20 5 FGBDMN CCc1cnccc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542124851 504372075 /nfs/dbraw/zinc/37/20/75/504372075.db2.gz VBSRBYMNXLEJRK-LLVKDONJSA-N 0 1 362.817 3.495 20 5 FGBDMN Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000520155051 504421100 /nfs/dbraw/zinc/42/11/00/504421100.db2.gz NMBUTCAFBZFBPD-AWEZNQCLSA-N 0 1 350.371 3.008 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000548455374 504453345 /nfs/dbraw/zinc/45/33/45/504453345.db2.gz NFYVGLGFJPZFSQ-IAGOWNOFSA-N 0 1 360.410 3.445 20 5 FGBDMN C[C@H](C1CCCCC1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548928336 504623859 /nfs/dbraw/zinc/62/38/59/504623859.db2.gz OSRBOWYSGSMXSH-CQSZACIVSA-N 0 1 354.472 3.269 20 5 FGBDMN COc1ccc(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000532471725 504662051 /nfs/dbraw/zinc/66/20/51/504662051.db2.gz VCRPNVDFYCVYDB-LXZKKBNFSA-N 0 1 361.442 3.443 20 5 FGBDMN O=C(CN1CC[C@H](Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532582853 504700493 /nfs/dbraw/zinc/70/04/93/504700493.db2.gz MFQKCFMBGINBIA-QGZVFWFLSA-N 0 1 365.433 3.049 20 5 FGBDMN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000559159875 504795217 /nfs/dbraw/zinc/79/52/17/504795217.db2.gz MXYHXPNRYAZUKL-CQSZACIVSA-N 0 1 365.183 3.273 20 5 FGBDMN C[C@H](C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000549374395 504804361 /nfs/dbraw/zinc/80/43/61/504804361.db2.gz YXJFVAWBCPSSIF-JTQLQIEISA-N 0 1 371.372 3.418 20 5 FGBDMN COC(=O)COc1ccc(CNCc2coc3ccccc23)cc1[N+](=O)[O-] ZINC000559304251 504826516 /nfs/dbraw/zinc/82/65/16/504826516.db2.gz UXIYVQGDPPODAX-UHFFFAOYSA-N 0 1 370.361 3.183 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000565367047 504866762 /nfs/dbraw/zinc/86/67/62/504866762.db2.gz KIFJDYSAGPKGEQ-UHFFFAOYSA-N 0 1 358.394 3.470 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C)c(S(C)(=O)=O)c1 ZINC000562603548 504875364 /nfs/dbraw/zinc/87/53/64/504875364.db2.gz PWGJCQONOVUQJH-AWEZNQCLSA-N 0 1 362.451 3.466 20 5 FGBDMN CC(=O)c1cc(NCc2n[nH]c(COc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000553502373 504933792 /nfs/dbraw/zinc/93/37/92/504933792.db2.gz SWBLTMZZRKOTLN-UHFFFAOYSA-N 0 1 367.365 3.107 20 5 FGBDMN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557680944 505201166 /nfs/dbraw/zinc/20/11/66/505201166.db2.gz OQSJSJINPAUWQX-UHFFFAOYSA-N 0 1 356.712 3.476 20 5 FGBDMN O=C(CCN1CC[C@](F)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000554582372 505213364 /nfs/dbraw/zinc/21/33/64/505213364.db2.gz AAFPRUNVDDICEA-LJQANCHMSA-N 0 1 357.385 3.494 20 5 FGBDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000563787452 505238065 /nfs/dbraw/zinc/23/80/65/505238065.db2.gz HLQSGWZCRSOQRH-NSHDSACASA-N 0 1 360.336 3.172 20 5 FGBDMN C[C@@H](CNC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000554835856 505276445 /nfs/dbraw/zinc/27/64/45/505276445.db2.gz ZOGOTTNGNMJBAS-IRXDYDNUSA-N 0 1 369.465 3.378 20 5 FGBDMN O=[N+]([O-])c1cc2c(ncnc2NCCc2nc3ccc(F)cc3[nH]2)s1 ZINC000561263503 505297964 /nfs/dbraw/zinc/29/79/64/505297964.db2.gz VDTBDVAPIRSBEL-UHFFFAOYSA-N 0 1 358.358 3.270 20 5 FGBDMN Cc1ccc(C[C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000561299181 505308412 /nfs/dbraw/zinc/30/84/12/505308412.db2.gz JNQGTNYKXFILKV-ZDUSSCGKSA-N 0 1 366.414 3.260 20 5 FGBDMN CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000555404660 505425845 /nfs/dbraw/zinc/42/58/45/505425845.db2.gz JCIWXXUXNZUHSX-AWEZNQCLSA-N 0 1 371.437 3.301 20 5 FGBDMN CC1(C)C[C@@H](NCc2cc(=O)n3ccccc3n2)c2cc([N+](=O)[O-])ccc21 ZINC000564577479 505459007 /nfs/dbraw/zinc/45/90/07/505459007.db2.gz PKRJRBYDZSWRKZ-QGZVFWFLSA-N 0 1 364.405 3.115 20 5 FGBDMN COc1cccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000555715190 505498645 /nfs/dbraw/zinc/49/86/45/505498645.db2.gz CDTRXVPJKIGZJK-LIRRHRJNSA-N 0 1 371.437 3.126 20 5 FGBDMN CC(=O)NCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCSCC1 ZINC000558863630 505514450 /nfs/dbraw/zinc/51/44/50/505514450.db2.gz ALSUWSSBCRVBIN-UHFFFAOYSA-N 0 1 371.890 3.082 20 5 FGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(Cl)c2Cl)c1 ZINC000564845080 505536575 /nfs/dbraw/zinc/53/65/75/505536575.db2.gz PPINQLIDZQLYCF-ZDUSSCGKSA-N 0 1 371.220 3.431 20 5 FGBDMN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593094412 506389401 /nfs/dbraw/zinc/38/94/01/506389401.db2.gz FWPJITSMFSISPS-OAHLLOKOSA-N 0 1 353.422 3.219 20 5 FGBDMN C[C@H](C(=O)[O-])[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000582856829 506457992 /nfs/dbraw/zinc/45/79/92/506457992.db2.gz QTJFIBJDXHODOX-GFCCVEGCSA-N 0 1 359.382 3.120 20 5 FGBDMN COc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000589200127 506481274 /nfs/dbraw/zinc/48/12/74/506481274.db2.gz RRCVVAPHTXSANC-HUUCEWRRSA-N 0 1 364.442 3.251 20 5 FGBDMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599573086 506503798 /nfs/dbraw/zinc/50/37/98/506503798.db2.gz FSSMWOOHERMLEU-SCLBCKFNSA-N 0 1 354.410 3.448 20 5 FGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000603440041 506514363 /nfs/dbraw/zinc/51/43/63/506514363.db2.gz LXVHFBOUKINKML-UHFFFAOYSA-N 0 1 362.285 3.294 20 5 FGBDMN Cc1ccccc1CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603662551 506590804 /nfs/dbraw/zinc/59/08/04/506590804.db2.gz NLWBIMAQTDMICS-UHFFFAOYSA-N 0 1 355.438 3.100 20 5 FGBDMN 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COc1cc(CN2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000532058188 504521287 /nfs/dbraw/zinc/52/12/87/504521287.db2.gz JPPHPGYTBKKUKC-WCQYABFASA-N 0 1 372.368 3.206 20 5 FGBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000545676704 504559288 /nfs/dbraw/zinc/55/92/88/504559288.db2.gz YBONEILKZABILJ-UHFFFAOYSA-N 0 1 366.337 3.283 20 5 FGBDMN C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000520945582 504614362 /nfs/dbraw/zinc/61/43/62/504614362.db2.gz LYLRLAIZOYJHJR-SWLSCSKDSA-N 0 1 369.425 3.100 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC)CC2)cc1OC ZINC000542918225 504657262 /nfs/dbraw/zinc/65/72/62/504657262.db2.gz ZHHWJRLLWHZHET-OAHLLOKOSA-N 0 1 365.474 3.166 20 5 FGBDMN Cc1ccccc1[C@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532493322 504669142 /nfs/dbraw/zinc/66/91/42/504669142.db2.gz OHQZWVDHSGEKPK-HNNXBMFYSA-N 0 1 353.422 3.485 20 5 FGBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000562496328 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ZINC000555314855 505405803 /nfs/dbraw/zinc/40/58/03/505405803.db2.gz QRMJTHLVGYYRQH-UHFFFAOYSA-N 0 1 357.410 3.021 20 5 FGBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000561683200 505408940 /nfs/dbraw/zinc/40/89/40/505408940.db2.gz GOQLDXXENWADPJ-CABCVRRESA-N 0 1 357.458 3.219 20 5 FGBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000561683200 505408944 /nfs/dbraw/zinc/40/89/44/505408944.db2.gz GOQLDXXENWADPJ-CABCVRRESA-N 0 1 357.458 3.219 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000561709176 505415235 /nfs/dbraw/zinc/41/52/35/505415235.db2.gz WGRBXYJHYBMTAJ-UHFFFAOYSA-N 0 1 360.389 3.114 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000558655905 505452554 /nfs/dbraw/zinc/45/25/54/505452554.db2.gz ZPEWWYLLZYLVGY-UONOGXRCSA-N 0 1 357.385 3.498 20 5 FGBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000558740216 505478929 /nfs/dbraw/zinc/47/89/29/505478929.db2.gz 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CC[C@H](C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599838545 506671417 /nfs/dbraw/zinc/67/14/17/506671417.db2.gz JXHVDLUPPBAEDJ-ZDUSSCGKSA-N 0 1 357.414 3.091 20 5 FGBDMN Cc1ccc(C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000593739699 506755540 /nfs/dbraw/zinc/75/55/40/506755540.db2.gz HUAINDBODORCFT-UHFFFAOYSA-N 0 1 355.394 3.409 20 5 FGBDMN Cc1ccc(C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000593739699 506755546 /nfs/dbraw/zinc/75/55/46/506755546.db2.gz HUAINDBODORCFT-UHFFFAOYSA-N 0 1 355.394 3.409 20 5 FGBDMN O=C(CCN1CC[C@](F)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000583511961 506821034 /nfs/dbraw/zinc/82/10/34/506821034.db2.gz CEMBGWLJQDWUPH-LJQANCHMSA-N 0 1 357.385 3.494 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000593890237 506822276 /nfs/dbraw/zinc/82/22/76/506822276.db2.gz BYTGZYMGVVZVLX-JYJNAYRXSA-N 0 1 370.409 3.015 20 5 FGBDMN C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 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O=[N+]([O-])c1cccc(-c2noc(CN3CCCC4(CCOCC4)C3)n2)c1 ZINC000375890941 499565298 /nfs/dbraw/zinc/56/52/98/499565298.db2.gz MQASXWYNSXWNQR-UHFFFAOYSA-N 0 1 358.398 3.037 20 5 FGBDMN C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000397988863 499565432 /nfs/dbraw/zinc/56/54/32/499565432.db2.gz ZZDUBBWVRILCRZ-CZUORRHYSA-N 0 1 355.394 3.368 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCCn3c(cc4ccccc43)C2)c1[N+](=O)[O-] ZINC000579338329 506150109 /nfs/dbraw/zinc/15/01/09/506150109.db2.gz SDKSABRAQZPXDL-UHFFFAOYSA-N 0 1 367.409 3.271 20 5 FGBDMN COc1cc(CNc2ccnc(OCC(F)(F)F)c2)cc([N+](=O)[O-])c1O ZINC000570384052 506155417 /nfs/dbraw/zinc/15/54/17/506155417.db2.gz WJWRQCAWORCVRN-UHFFFAOYSA-N 0 1 373.287 3.257 20 5 FGBDMN COc1ccc(NC(=O)CCN2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000411177790 499707245 /nfs/dbraw/zinc/70/72/45/499707245.db2.gz ZJBVVODPHHZKJD-HNNXBMFYSA-N 0 1 374.397 3.066 20 5 FGBDMN Cc1ncc2n1CC[C@H](c1nc(-c3cc(C)c([N+](=O)[O-])cc3C)no1)C2 ZINC000377803078 499736662 /nfs/dbraw/zinc/73/66/62/499736662.db2.gz QYKNTOPIENCXFQ-ZDUSSCGKSA-N 0 1 353.382 3.497 20 5 FGBDMN CCn1ccnc1NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414310560 499776492 /nfs/dbraw/zinc/77/64/92/499776492.db2.gz ZZWKZZNCPXKJAG-UHFFFAOYSA-N 0 1 374.319 3.373 20 5 FGBDMN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000414483534 499797842 /nfs/dbraw/zinc/79/78/42/499797842.db2.gz ZHNAUOLFSPJPOG-JTQLQIEISA-N 0 1 360.741 3.113 20 5 FGBDMN Cc1n[nH]c([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000412033326 499815165 /nfs/dbraw/zinc/81/51/65/499815165.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 0 1 355.320 3.030 20 5 FGBDMN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000413027373 499905001 /nfs/dbraw/zinc/90/50/01/499905001.db2.gz YNXUOXLMLHPWEE-QGZVFWFLSA-N 0 1 360.389 3.387 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425011220 499992783 /nfs/dbraw/zinc/99/27/83/499992783.db2.gz XJRLLNHKWCXOME-LSDHHAIUSA-N 0 1 357.435 3.003 20 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506179234 /nfs/dbraw/zinc/17/92/34/506179234.db2.gz RPUGPQZDXWWZFN-UHFFFAOYSA-N 0 1 373.369 3.493 20 5 FGBDMN CCc1ccc([C@@H](NCC2(CC(N)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421890910 500170502 /nfs/dbraw/zinc/17/05/02/500170502.db2.gz VOYJIVHEOLEEGY-SFHVURJKSA-N 0 1 357.410 3.085 20 5 FGBDMN COC(=O)COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000430133064 500197689 /nfs/dbraw/zinc/19/76/89/500197689.db2.gz AFEZRVYLQFMDBR-UHFFFAOYSA-N 0 1 358.394 3.172 20 5 FGBDMN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000422053547 500206454 /nfs/dbraw/zinc/20/64/54/500206454.db2.gz TYQQBIUFUKSXNF-UHFFFAOYSA-N 0 1 372.377 3.122 20 5 FGBDMN COC(=O)COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430193486 500206695 /nfs/dbraw/zinc/20/66/95/500206695.db2.gz GHYKFDGQEIOFGM-ZDUSSCGKSA-N 0 1 374.393 3.006 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2CCO)cc1OC ZINC000426271400 500255573 /nfs/dbraw/zinc/25/55/73/500255573.db2.gz NZBJWNCSBKPOOO-GDBMZVCRSA-N 0 1 366.458 3.375 20 5 FGBDMN C[C@H]1CNCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000570578263 506199337 /nfs/dbraw/zinc/19/93/37/506199337.db2.gz AQDRYIKIVJPTAR-ZDUSSCGKSA-N 0 1 357.435 3.180 20 5 FGBDMN COc1ccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc1[N+](=O)[O-] ZINC000428645729 500536937 /nfs/dbraw/zinc/53/69/37/500536937.db2.gz DEARNXJIHKXKLZ-INIZCTEOSA-N 0 1 368.393 3.368 20 5 FGBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccn(-c3ccccc3)n2)n1 ZINC000447563654 500625159 /nfs/dbraw/zinc/62/51/59/500625159.db2.gz RIOAWYRLENKETR-ROUUACIJSA-N 0 1 366.425 3.251 20 5 FGBDMN Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000447577781 500628192 /nfs/dbraw/zinc/62/81/92/500628192.db2.gz IVAPLIGGVMVDDI-SFHVURJKSA-N 0 1 374.462 3.474 20 5 FGBDMN NC(=O)c1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433295141 500663892 /nfs/dbraw/zinc/66/38/92/500663892.db2.gz OLXCSPYUCKZOIP-AWEZNQCLSA-N 0 1 359.813 3.337 20 5 FGBDMN Cc1ccc(-c2cc(=NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[nH][nH]2)o1 ZINC000447804757 500665807 /nfs/dbraw/zinc/66/58/07/500665807.db2.gz GBBPMZUSXVJOGW-UHFFFAOYSA-N 0 1 369.381 3.139 20 5 FGBDMN COc1cc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000443349780 500713732 /nfs/dbraw/zinc/71/37/32/500713732.db2.gz YSVLHZIYEIMRNY-LOWVWBTDSA-N 0 1 374.384 3.186 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000433990453 500777714 /nfs/dbraw/zinc/77/77/14/500777714.db2.gz OQPCLKMTNHVCEJ-AWEZNQCLSA-N 0 1 360.389 3.428 20 5 FGBDMN Cc1c(F)cccc1NC(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438516757 500795897 /nfs/dbraw/zinc/79/58/97/500795897.db2.gz KPBXAXBMAUGRGS-UHFFFAOYSA-N 0 1 357.385 3.429 20 5 FGBDMN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000444048138 500796828 /nfs/dbraw/zinc/79/68/28/500796828.db2.gz IADFHNBCUHPYHF-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000588144562 506217403 /nfs/dbraw/zinc/21/74/03/506217403.db2.gz OBSDKURAJKYAAT-JTQLQIEISA-N 0 1 374.287 3.080 20 5 FGBDMN COc1ccccc1N1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602568995 506220418 /nfs/dbraw/zinc/22/04/18/506220418.db2.gz QEZHDGNSCJFXPA-CYBMUJFWSA-N 0 1 368.393 3.113 20 5 FGBDMN COCCN(CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444621564 500868390 /nfs/dbraw/zinc/86/83/90/500868390.db2.gz SKXSBGSOLNUFGL-UHFFFAOYSA-N 0 1 354.410 3.162 20 5 FGBDMN CCN(C)C(=O)[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000449440826 501004040 /nfs/dbraw/zinc/00/40/40/501004040.db2.gz MLXNBFUHTVWUGC-SFHVURJKSA-N 0 1 359.426 3.447 20 5 FGBDMN CC(C)[C@@H]1C[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000449490113 501015915 /nfs/dbraw/zinc/01/59/15/501015915.db2.gz BNPZTKVBHDYONJ-AYOQOUSVSA-N 0 1 372.469 3.459 20 5 FGBDMN CCO[C@@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449710599 501066846 /nfs/dbraw/zinc/06/68/46/501066846.db2.gz BCWLGMPCNDBKFZ-NVXWUHKLSA-N 0 1 366.801 3.402 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3OC3CC3)C2)nc1 ZINC000450567251 501156586 /nfs/dbraw/zinc/15/65/86/501156586.db2.gz LRJSAWGRLBQAMP-HNNXBMFYSA-N 0 1 354.410 3.217 20 5 FGBDMN COc1ccc(NC(=O)c2ccc(Br)cc2O)cc1[N+](=O)[O-] ZINC000436749036 501204081 /nfs/dbraw/zinc/20/40/81/501204081.db2.gz RLGPBZOQFDUKBF-UHFFFAOYSA-N 0 1 367.155 3.324 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451014971 501239256 /nfs/dbraw/zinc/23/92/56/501239256.db2.gz JBVQUBQCQGUQBA-ZDUSSCGKSA-N 0 1 360.805 3.195 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)c1 ZINC000451339766 501269272 /nfs/dbraw/zinc/26/92/72/501269272.db2.gz JWJHUYKRNCIVGY-BRWVUGGUSA-N 0 1 372.425 3.160 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)c1 ZINC000451339768 501269349 /nfs/dbraw/zinc/26/93/49/501269349.db2.gz JWJHUYKRNCIVGY-ZACQAIPSSA-N 0 1 372.425 3.160 20 5 FGBDMN CCC[C@]1(COC)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451450549 501295195 /nfs/dbraw/zinc/29/51/95/501295195.db2.gz IUTKKSOZKWKPPB-LJQANCHMSA-N 0 1 372.425 3.406 20 5 FGBDMN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451535737 501316131 /nfs/dbraw/zinc/31/61/31/501316131.db2.gz PULGSKORNXUFFJ-CABZTGNLSA-N 0 1 368.315 3.398 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000452152630 501446677 /nfs/dbraw/zinc/44/66/77/501446677.db2.gz NSEHQDXIYMAJFD-KRWDZBQOSA-N 0 1 352.394 3.390 20 5 FGBDMN C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000452181231 501455798 /nfs/dbraw/zinc/45/57/98/501455798.db2.gz HWBOZPWLEPUKIO-KXBFYZLASA-N 0 1 353.422 3.437 20 5 FGBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(C)C)nc1 ZINC000456160473 501466733 /nfs/dbraw/zinc/46/67/33/501466733.db2.gz IBJXDBRJGBFWMP-UHFFFAOYSA-N 0 1 357.414 3.124 20 5 FGBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456537481 501544334 /nfs/dbraw/zinc/54/43/34/501544334.db2.gz WCJWSIOCCJTSDG-ZDUSSCGKSA-N 0 1 351.472 3.263 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000456710772 501583913 /nfs/dbraw/zinc/58/39/13/501583913.db2.gz VEBJFELKUGBHOS-AWEZNQCLSA-N 0 1 368.397 3.124 20 5 FGBDMN O=[N+]([O-])c1ccccc1CNC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000598990467 506265695 /nfs/dbraw/zinc/26/56/95/506265695.db2.gz FRWWWOKTMUVHSC-KRWDZBQOSA-N 0 1 361.829 3.243 20 5 FGBDMN C[C@H](CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000459506973 501665937 /nfs/dbraw/zinc/66/59/37/501665937.db2.gz KAUCRXKGGXMDJC-QGZVFWFLSA-N 0 1 370.453 3.107 20 5 FGBDMN COc1ccc(OCCN[C@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000459633839 501690430 /nfs/dbraw/zinc/69/04/30/501690430.db2.gz MGTMEVMUMCTWFL-LLVKDONJSA-N 0 1 363.439 3.278 20 5 FGBDMN COC(=O)c1cnc(Nc2cnn(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 ZINC000477728183 501770227 /nfs/dbraw/zinc/77/02/27/501770227.db2.gz UTAVBSUEGJNKCC-UHFFFAOYSA-N 0 1 373.756 3.359 20 5 FGBDMN O=C1CCCN1C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602717655 506272440 /nfs/dbraw/zinc/27/24/40/506272440.db2.gz IMEBEBDUCOPCSL-GFCCVEGCSA-N 0 1 371.359 3.058 20 5 FGBDMN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000467843127 501888855 /nfs/dbraw/zinc/88/88/55/501888855.db2.gz UZALTVONXBWMQL-INIZCTEOSA-N 0 1 355.438 3.278 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000482052335 501959373 /nfs/dbraw/zinc/95/93/73/501959373.db2.gz WLOJHRUPVGKIHA-ZFWWWQNUSA-N 0 1 355.394 3.060 20 5 FGBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000468214488 501992292 /nfs/dbraw/zinc/99/22/92/501992292.db2.gz FALNMWZSVAQQGI-UHFFFAOYSA-N 0 1 361.720 3.425 20 5 FGBDMN CCc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000471391584 502008180 /nfs/dbraw/zinc/00/81/80/502008180.db2.gz DCYHRNBEZOZZDC-SFHVURJKSA-N 0 1 359.401 3.329 20 5 FGBDMN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(F)c1F ZINC000461098148 502011748 /nfs/dbraw/zinc/01/17/48/502011748.db2.gz 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360.757 3.063 20 5 FGBDMN Cc1ccc(NCCN2CCSCC2)c([N+](=O)[O-])c1Br ZINC000804450034 724518801 /nfs/dbraw/zinc/51/88/01/724518801.db2.gz FTHQUWYOCHHGIC-UHFFFAOYSA-N 0 1 360.277 3.126 20 5 FGBDMN C[C@H](CN(C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1nccs1 ZINC000784036708 724815401 /nfs/dbraw/zinc/81/54/01/724815401.db2.gz GGXRKNHDLJIOSD-GFCCVEGCSA-N 0 1 358.427 3.003 20 5 FGBDMN CC(C)[C@@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000741014251 722541076 /nfs/dbraw/zinc/54/10/76/722541076.db2.gz KWMMJJDXEUAFSQ-KRWDZBQOSA-N 0 1 350.415 3.027 20 5 FGBDMN C[C@@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000741024521 722541556 /nfs/dbraw/zinc/54/15/56/722541556.db2.gz WMTRXASCHPRGKB-KFWWJZLASA-N 0 1 350.415 3.168 20 5 FGBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000746662715 722612832 /nfs/dbraw/zinc/61/28/32/722612832.db2.gz GVEDNPKQSUZYRQ-CPUCHLNUSA-N 0 1 367.877 3.322 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000749691616 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/nfs/dbraw/zinc/00/38/61/496003861.db2.gz KYJAFHPWRSHSTC-OAHLLOKOSA-N 0 1 359.430 3.026 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC000171774799 496031879 /nfs/dbraw/zinc/03/18/79/496031879.db2.gz ZVJDFEVILUTJAQ-UHFFFAOYSA-N 0 1 371.372 3.089 20 5 FGBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177393056 496044410 /nfs/dbraw/zinc/04/44/10/496044410.db2.gz WFPGFVYIVPBASJ-AWEZNQCLSA-N 0 1 365.393 3.070 20 5 FGBDMN Cc1cc(C[C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000183639884 496058184 /nfs/dbraw/zinc/05/81/84/496058184.db2.gz MTZGXRKGGSQZNB-SECBINFHSA-N 0 1 368.846 3.119 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000184020110 496205360 /nfs/dbraw/zinc/20/53/60/496205360.db2.gz QREPZGQYTAHILY-SNVBAGLBSA-N 0 1 364.352 3.178 20 5 FGBDMN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000175153291 496268378 /nfs/dbraw/zinc/26/83/78/496268378.db2.gz WQJFUOCCBYVTNN-SGTLLEGYSA-N 0 1 357.385 3.416 20 5 FGBDMN CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000181165787 496294891 /nfs/dbraw/zinc/29/48/91/496294891.db2.gz YLFDVFPTTXYEOJ-AWEZNQCLSA-N 0 1 357.414 3.378 20 5 FGBDMN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000178206125 496370163 /nfs/dbraw/zinc/37/01/63/496370163.db2.gz ZTPGXZRDSNWJMN-CQSZACIVSA-N 0 1 371.393 3.045 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COc2ccc(F)cc2)C2CC2)c1 ZINC000153231838 496390575 /nfs/dbraw/zinc/39/05/75/496390575.db2.gz AEXCFSVBVAAEES-GOSISDBHSA-N 0 1 360.385 3.138 20 5 FGBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n[nH]1 ZINC000181655253 496489457 /nfs/dbraw/zinc/48/94/57/496489457.db2.gz BGWOEEBERIOMQK-LLVKDONJSA-N 0 1 362.455 3.488 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683365 496538988 /nfs/dbraw/zinc/53/89/88/496538988.db2.gz WJBNMYMGKCQZQX-LSDHHAIUSA-N 0 1 373.428 3.440 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000178684380 496539071 /nfs/dbraw/zinc/53/90/71/496539071.db2.gz HQWKCPBPOAAMIU-QWHCGFSZSA-N 0 1 371.393 3.310 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000178684364 496539103 /nfs/dbraw/zinc/53/91/03/496539103.db2.gz HQWKCPBPOAAMIU-CHWSQXEVSA-N 0 1 371.393 3.310 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000181791254 496546515 /nfs/dbraw/zinc/54/65/15/496546515.db2.gz UWNZFECRBRXERH-GFCCVEGCSA-N 0 1 370.331 3.092 20 5 FGBDMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181819722 496558041 /nfs/dbraw/zinc/55/80/41/496558041.db2.gz ZLPKYEBHUMZWTJ-CYBMUJFWSA-N 0 1 373.409 3.210 20 5 FGBDMN Cc1cccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n1 ZINC000166724971 496691933 /nfs/dbraw/zinc/69/19/33/496691933.db2.gz NHZMOFCIGFDUQJ-MRXNPFEDSA-N 0 1 351.366 3.152 20 5 FGBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000182175697 496697841 /nfs/dbraw/zinc/69/78/41/496697841.db2.gz KCNVATJDXXIEQX-GFCCVEGCSA-N 0 1 368.842 3.373 20 5 FGBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273346224 496780061 /nfs/dbraw/zinc/78/00/61/496780061.db2.gz BSHVINNSHBELIP-HNNXBMFYSA-N 0 1 362.361 3.286 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n[nH]1 ZINC000277497553 496792939 /nfs/dbraw/zinc/79/29/39/496792939.db2.gz UXEHZGKGIWEBOU-ZJUUUORDSA-N 0 1 358.402 3.284 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247331296 496836575 /nfs/dbraw/zinc/83/65/75/496836575.db2.gz ISCUVVIPXUHSIJ-IPYPFGDCSA-N 0 1 351.472 3.017 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](NCc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000191798317 496893520 /nfs/dbraw/zinc/89/35/20/496893520.db2.gz MIOYKLIHZKAAGD-GOSISDBHSA-N 0 1 353.422 3.102 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269432751 496946453 /nfs/dbraw/zinc/94/64/53/496946453.db2.gz NXJIWDWZNYDVFY-UHFFFAOYSA-N 0 1 372.425 3.373 20 5 FGBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000191964730 496946972 /nfs/dbraw/zinc/94/69/72/496946972.db2.gz LNEALQUWHCDGPN-UHFFFAOYSA-N 0 1 366.399 3.151 20 5 FGBDMN CC(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000189093371 497005887 /nfs/dbraw/zinc/00/58/87/497005887.db2.gz NPGHKODDUUVYTF-UHFFFAOYSA-N 0 1 352.354 3.151 20 5 FGBDMN O=[N+]([O-])c1cc2c(ncnc2NCCc2cc(-c3ccncc3)[nH]n2)s1 ZINC000569218929 505881993 /nfs/dbraw/zinc/88/19/93/505881993.db2.gz GSIWSORUCJHIHT-UHFFFAOYSA-N 0 1 367.394 3.039 20 5 FGBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313504 497071534 /nfs/dbraw/zinc/07/15/34/497071534.db2.gz FJARDTYWZWRWKJ-OALUTQOASA-N 0 1 369.469 3.024 20 5 FGBDMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192347913 497082240 /nfs/dbraw/zinc/08/22/40/497082240.db2.gz VRKLEOOQLSNHPC-WFASDCNBSA-N 0 1 355.394 3.295 20 5 FGBDMN Cc1sc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248755025 497098914 /nfs/dbraw/zinc/09/89/14/497098914.db2.gz GBUVKXKNJBVXPD-IUODEOHRSA-N 0 1 359.451 3.215 20 5 FGBDMN Cc1sc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248755025 497098921 /nfs/dbraw/zinc/09/89/21/497098921.db2.gz GBUVKXKNJBVXPD-IUODEOHRSA-N 0 1 359.451 3.215 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)n2)c1 ZINC000278495880 497134151 /nfs/dbraw/zinc/13/41/51/497134151.db2.gz ADAWATHHCLGJBA-DJIMGWMZSA-N 0 1 370.409 3.082 20 5 FGBDMN COC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000192562192 497149933 /nfs/dbraw/zinc/14/99/33/497149933.db2.gz JZCLHZBXJFDHDU-HNNXBMFYSA-N 0 1 374.784 3.242 20 5 FGBDMN COC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000192562210 497150343 /nfs/dbraw/zinc/15/03/43/497150343.db2.gz JZCLHZBXJFDHDU-OAHLLOKOSA-N 0 1 374.784 3.242 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000581002958 505888619 /nfs/dbraw/zinc/88/86/19/505888619.db2.gz LWXCFPOPLNMTPP-UHFFFAOYSA-N 0 1 364.770 3.457 20 5 FGBDMN Cc1ncc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000192757487 497205997 /nfs/dbraw/zinc/20/59/97/497205997.db2.gz VXZHMBABNHMMOW-UHFFFAOYSA-N 0 1 359.363 3.359 20 5 FGBDMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000192872379 497234063 /nfs/dbraw/zinc/23/40/63/497234063.db2.gz IGMKSBKJLHUSER-STQMWFEESA-N 0 1 370.409 3.231 20 5 FGBDMN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000275709393 497410237 /nfs/dbraw/zinc/41/02/37/497410237.db2.gz YEWKLBOVMICCHL-YJBOKZPZSA-N 0 1 368.393 3.208 20 5 FGBDMN Cc1sc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261927139 497477067 /nfs/dbraw/zinc/47/70/67/497477067.db2.gz ZKSRZYBREVKLFF-AWEZNQCLSA-N 0 1 365.842 3.405 20 5 FGBDMN CCc1csc([C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000272460188 497634979 /nfs/dbraw/zinc/63/49/79/497634979.db2.gz CDLRVAZMCVFKLF-LLVKDONJSA-N 0 1 361.423 3.339 20 5 FGBDMN CC(=O)N(Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000272512913 497648371 /nfs/dbraw/zinc/64/83/71/497648371.db2.gz KELQMPNKMOLFKS-UHFFFAOYSA-N 0 1 369.377 3.064 20 5 FGBDMN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000194480151 497681678 /nfs/dbraw/zinc/68/16/78/497681678.db2.gz UWXRFFAXOAZKFC-QGZVFWFLSA-N 0 1 374.441 3.412 20 5 FGBDMN CCOc1cc(CN(C)[C@@H](CC(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000280522497 497780387 /nfs/dbraw/zinc/78/03/87/497780387.db2.gz OIBRKICCIAYKJS-KRWDZBQOSA-N 0 1 357.410 3.042 20 5 FGBDMN CCS(=O)(=O)c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000280540525 497785011 /nfs/dbraw/zinc/78/50/11/497785011.db2.gz JEUCSWFHRCCKKF-FNORWQNLSA-N 0 1 366.464 3.253 20 5 FGBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000288795924 497902222 /nfs/dbraw/zinc/90/22/22/497902222.db2.gz SUSQZSOCDGGREF-VIFPVBQESA-N 0 1 370.331 3.348 20 5 FGBDMN C[C@H]1CN(C(C)(C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301108814 497954135 /nfs/dbraw/zinc/95/41/35/497954135.db2.gz XDWDDRZHCSGNQT-KBPBESRZSA-N 0 1 358.442 3.443 20 5 FGBDMN CC(=O)NCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581311548 505958457 /nfs/dbraw/zinc/95/84/57/505958457.db2.gz OLXZCPCZEGZYBH-UHFFFAOYSA-N 0 1 351.790 3.076 20 5 FGBDMN CO[C@@]1(C)CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000296546012 498088571 /nfs/dbraw/zinc/08/85/71/498088571.db2.gz BLCADXJDSXYACB-SFHVURJKSA-N 0 1 358.398 3.016 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000301742828 498248929 /nfs/dbraw/zinc/24/89/29/498248929.db2.gz YWSSXXXFKIPAMF-BEFAXECRSA-N 0 1 359.401 3.029 20 5 FGBDMN CN(C)Cc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1F ZINC000301855414 498295660 /nfs/dbraw/zinc/29/56/60/498295660.db2.gz CTGLARKNWUKYPC-UHFFFAOYSA-N 0 1 371.372 3.056 20 5 FGBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000302018403 498371171 /nfs/dbraw/zinc/37/11/71/498371171.db2.gz GQGFASYHEIWRTI-UHFFFAOYSA-N 0 1 356.363 3.302 20 5 FGBDMN COc1ccccc1[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N(C)C ZINC000302412145 498477831 /nfs/dbraw/zinc/47/78/31/498477831.db2.gz HBTKHCRVSLZIQD-QGZVFWFLSA-N 0 1 356.426 3.286 20 5 FGBDMN CCc1[nH]nc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000332047628 498543611 /nfs/dbraw/zinc/54/36/11/498543611.db2.gz YMMJUZLGEMSYOZ-GHMZBOCLSA-N 0 1 358.398 3.037 20 5 FGBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000332047633 498544065 /nfs/dbraw/zinc/54/40/65/498544065.db2.gz YMMJUZLGEMSYOZ-QWRGUYRKSA-N 0 1 358.398 3.037 20 5 FGBDMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000332057770 498546336 /nfs/dbraw/zinc/54/63/36/498546336.db2.gz OTXUMXRFFOGMQB-BONVTDFDSA-N 0 1 361.377 3.018 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1[N+](=O)[O-] ZINC000332191481 498596087 /nfs/dbraw/zinc/59/60/87/498596087.db2.gz XTLDFELXECSCDY-KRWDZBQOSA-N 0 1 364.352 3.039 20 5 FGBDMN Cc1cccc(C(=O)NC2CCN(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000363144233 498673224 /nfs/dbraw/zinc/67/32/24/498673224.db2.gz VMSNBYHBOTYNDC-UHFFFAOYSA-N 0 1 371.412 3.437 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C(C)(C)C)ns2)c1 ZINC000282859555 498683195 /nfs/dbraw/zinc/68/31/95/498683195.db2.gz OXDCQLRGYGMWPU-UHFFFAOYSA-N 0 1 350.400 3.395 20 5 FGBDMN Cc1ccc(C[C@H](C)N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000303755131 498711140 /nfs/dbraw/zinc/71/11/40/498711140.db2.gz MVQRCXPUJZWDIO-INIZCTEOSA-N 0 1 355.438 3.429 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 ZINC000326510720 498843874 /nfs/dbraw/zinc/84/38/74/498843874.db2.gz AKOKHAOWOGNTGG-OAHLLOKOSA-N 0 1 350.371 3.164 20 5 FGBDMN CCc1nn(C)c(Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000570167742 506106690 /nfs/dbraw/zinc/10/66/90/506106690.db2.gz JWVXBWMKBXBBNH-ZIAGYGMSSA-N 0 1 373.457 3.244 20 5 FGBDMN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000363612289 498904814 /nfs/dbraw/zinc/90/48/14/498904814.db2.gz AUJMJAUIAGXJNU-WCQYABFASA-N 0 1 364.789 3.192 20 5 FGBDMN O=[N+]([O-])c1cc(I)cc(CNC2CC(F)(F)C2)c1 ZINC000576268865 506117287 /nfs/dbraw/zinc/11/72/87/506117287.db2.gz IYKRYBFAJWCTLW-UHFFFAOYSA-N 0 1 368.121 3.087 20 5 FGBDMN Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299415825 499052232 /nfs/dbraw/zinc/05/22/32/499052232.db2.gz AYRILXSZHBBSDS-UHFFFAOYSA-N 0 1 360.439 3.032 20 5 FGBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H]1[C@@H]1CCCO1 ZINC000295608277 499062735 /nfs/dbraw/zinc/06/27/35/499062735.db2.gz NOHUOJULQVXTBT-IRXDYDNUSA-N 0 1 370.409 3.015 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000363961725 499068146 /nfs/dbraw/zinc/06/81/46/499068146.db2.gz JBZFNIVKGQMXJM-WMZOPIPTSA-N 0 1 358.442 3.197 20 5 FGBDMN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284246917 499075806 /nfs/dbraw/zinc/07/58/06/499075806.db2.gz VKWKGORMBFVDBO-AWEZNQCLSA-N 0 1 355.442 3.413 20 5 FGBDMN CCOc1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000372811447 499178138 /nfs/dbraw/zinc/17/81/38/499178138.db2.gz FVXMHOXEZHXTCF-KRWDZBQOSA-N 0 1 364.442 3.154 20 5 FGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000370598917 499234616 /nfs/dbraw/zinc/23/46/16/499234616.db2.gz MPXWZQIUTMOECK-CYBMUJFWSA-N 0 1 365.393 3.194 20 5 FGBDMN Cc1nc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000370964391 499275921 /nfs/dbraw/zinc/27/59/21/499275921.db2.gz BRUBSVPDVLVCIR-CYBMUJFWSA-N 0 1 355.354 3.135 20 5 FGBDMN CCC[C@]1(COC)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573196717 506140165 /nfs/dbraw/zinc/14/01/65/506140165.db2.gz MSWZJJJBMHKUKR-QGZVFWFLSA-N 0 1 369.849 3.468 20 5 FGBDMN Cn1ccnc1[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000371505491 499335629 /nfs/dbraw/zinc/33/56/29/499335629.db2.gz JMOXEEUHJCTXMR-INIZCTEOSA-N 0 1 367.409 3.363 20 5 FGBDMN C[C@H](C(=O)Nc1cccc(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000371795895 499366286 /nfs/dbraw/zinc/36/62/86/499366286.db2.gz NYXADJXSSYCREC-JTQLQIEISA-N 0 1 355.329 3.261 20 5 FGBDMN O=[N+]([O-])c1cccc(OCCN2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000375156577 499490559 /nfs/dbraw/zinc/49/05/59/499490559.db2.gz BVQKDEQLHMAATK-UHFFFAOYSA-N 0 1 358.398 3.114 20 5 FGBDMN CC(C)c1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231042 499492616 /nfs/dbraw/zinc/49/26/16/499492616.db2.gz REGAIWQBUJYWHP-ROUUACIJSA-N 0 1 358.442 3.113 20 5 FGBDMN Cn1cc([C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378649708 499540885 /nfs/dbraw/zinc/54/08/85/499540885.db2.gz KRCYLFNVSNHCQV-IBGZPJMESA-N 0 1 352.394 3.086 20 5 FGBDMN C[C@@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379604311 499542021 /nfs/dbraw/zinc/54/20/21/499542021.db2.gz GYIPYOBVXWBMMM-UKRRQHHQSA-N 0 1 370.409 3.153 20 5 FGBDMN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379704864 499542673 /nfs/dbraw/zinc/54/26/73/499542673.db2.gz LIVDENDZWKKONK-GDBMZVCRSA-N 0 1 369.421 3.083 20 5 FGBDMN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379704867 499542750 /nfs/dbraw/zinc/54/27/50/499542750.db2.gz LIVDENDZWKKONK-ZBFHGGJFSA-N 0 1 369.421 3.083 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389828570 499553165 /nfs/dbraw/zinc/55/31/65/499553165.db2.gz VESXOLLPURUUGU-GUYCJALGSA-N 0 1 355.394 3.225 20 5 FGBDMN CCN1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000410635712 499671812 /nfs/dbraw/zinc/67/18/12/499671812.db2.gz LXENWSNKYWAVNI-MNOVXSKESA-N 0 1 359.348 3.168 20 5 FGBDMN COCC1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414316126 499776970 /nfs/dbraw/zinc/77/69/70/499776970.db2.gz TXAMIRPAHCZIOM-PVARCSIZSA-N 0 1 358.442 3.213 20 5 FGBDMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)cc2C)cc1[N+](=O)[O-] ZINC000414453116 499794032 /nfs/dbraw/zinc/79/40/32/499794032.db2.gz BBMGCQVIEKSFFZ-UHFFFAOYSA-N 0 1 363.439 3.074 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000416269949 500003211 /nfs/dbraw/zinc/00/32/11/500003211.db2.gz IOJHHCOLUISJSS-CQSZACIVSA-N 0 1 358.398 3.125 20 5 FGBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000413654635 500016017 /nfs/dbraw/zinc/01/60/17/500016017.db2.gz LVLLRUFFYUVRLV-HNNXBMFYSA-N 0 1 373.413 3.176 20 5 FGBDMN CC(C)(NC[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000429262027 500037150 /nfs/dbraw/zinc/03/71/50/500037150.db2.gz SJDFHXYJJAZDMP-AWEZNQCLSA-N 0 1 369.421 3.341 20 5 FGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C)nc(N2CCCC2)n1 ZINC000430127547 500196567 /nfs/dbraw/zinc/19/65/67/500196567.db2.gz RSBCDVJNZGPIKC-XNTDXEJSSA-N 0 1 367.453 3.487 20 5 FGBDMN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203167 500208285 /nfs/dbraw/zinc/20/82/85/500208285.db2.gz NQOLTBQTLFESRQ-OAHLLOKOSA-N 0 1 372.421 3.415 20 5 FGBDMN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427907042 500444366 /nfs/dbraw/zinc/44/43/66/500444366.db2.gz RZRJGXCJBJYTKO-UHFFFAOYSA-N 0 1 352.306 3.135 20 5 FGBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000428664298 500539696 /nfs/dbraw/zinc/53/96/96/500539696.db2.gz BEBILLCIESEOEV-KRWDZBQOSA-N 0 1 358.467 3.328 20 5 FGBDMN O=C(NCc1ccc(-c2cccnc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437386433 500639269 /nfs/dbraw/zinc/63/92/69/500639269.db2.gz FVAGNNPSXLQOKV-UHFFFAOYSA-N 0 1 373.372 3.463 20 5 FGBDMN CC(C)(C(=O)Nc1cccc(-c2cn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000443668121 500752695 /nfs/dbraw/zinc/75/26/95/500752695.db2.gz RVUYFGBTOYTJOF-UHFFFAOYSA-N 0 1 369.356 3.435 20 5 FGBDMN CCN(Cc1c(F)cccc1F)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434188980 500809044 /nfs/dbraw/zinc/80/90/44/500809044.db2.gz LGIFHGSWIJDJCN-UHFFFAOYSA-N 0 1 352.341 3.382 20 5 FGBDMN Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)on1 ZINC000448717603 500813332 /nfs/dbraw/zinc/81/33/32/500813332.db2.gz YLZMJYWLYGGCLK-MRXNPFEDSA-N 0 1 367.365 3.259 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000444218863 500819303 /nfs/dbraw/zinc/81/93/03/500819303.db2.gz XZMSMWPUAIVWMM-MRXNPFEDSA-N 0 1 361.442 3.265 20 5 FGBDMN CC[C@H]1CCCC[C@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663228 500874926 /nfs/dbraw/zinc/87/49/26/500874926.db2.gz KETBIUAXAMRFSU-WMLDXEAASA-N 0 1 354.472 3.269 20 5 FGBDMN O=[N+]([O-])c1cnn(CCN2CCC(F)(c3cccc(Cl)c3)CC2)c1 ZINC000439327723 500885683 /nfs/dbraw/zinc/88/56/83/500885683.db2.gz MXOHXSMMYWXJBG-UHFFFAOYSA-N 0 1 352.797 3.406 20 5 FGBDMN CC(C)(C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(N)=O ZINC000449414576 500998540 /nfs/dbraw/zinc/99/85/40/500998540.db2.gz WLVKQYZTELOFBQ-LBPRGKRZSA-N 0 1 353.850 3.362 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnc(C(C)C)nc1 ZINC000440480450 501013212 /nfs/dbraw/zinc/01/32/12/501013212.db2.gz KDMYZMLYZNGSLC-UHFFFAOYSA-N 0 1 371.441 3.277 20 5 FGBDMN CCOc1ccc(NC(=O)CN[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000445811674 501035410 /nfs/dbraw/zinc/03/54/10/501035410.db2.gz SSGLVOZCJTYRJH-LJQANCHMSA-N 0 1 370.409 3.068 20 5 FGBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000598943471 506238217 /nfs/dbraw/zinc/23/82/17/506238217.db2.gz STMCWJYNDMGSGK-WBMJQRKESA-N 0 1 354.410 3.175 20 5 FGBDMN COC(=O)COc1ccc(CN(C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000446974139 501189645 /nfs/dbraw/zinc/18/96/45/501189645.db2.gz HHFWOURJXYKQBC-UHFFFAOYSA-N 0 1 372.421 3.395 20 5 FGBDMN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000446988998 501191644 /nfs/dbraw/zinc/19/16/44/501191644.db2.gz KBJQNUUNPMDFCG-UHFFFAOYSA-N 0 1 374.303 3.231 20 5 FGBDMN COC(=O)Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000450215236 501212135 /nfs/dbraw/zinc/21/21/35/501212135.db2.gz MEOJGUOTXGDOSR-KRWDZBQOSA-N 0 1 373.409 3.152 20 5 FGBDMN Cc1cc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450879381 501222936 /nfs/dbraw/zinc/22/29/36/501222936.db2.gz JUARJGRQJMUBHF-ZUZCIYMTSA-N 0 1 355.316 3.201 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000451339043 501269288 /nfs/dbraw/zinc/26/92/88/501269288.db2.gz IAMFZFXXYWZHDZ-ZACQAIPSSA-N 0 1 372.425 3.160 20 5 FGBDMN C[C@@H]1C[C@H](c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCO1 ZINC000453144721 501278732 /nfs/dbraw/zinc/27/87/32/501278732.db2.gz HFTDEXCUZXKOPP-ZYHUDNBSSA-N 0 1 355.354 3.317 20 5 FGBDMN C[C@@]12CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000456090033 501452370 /nfs/dbraw/zinc/45/23/70/501452370.db2.gz WOIRIGSDCLQXMP-URYASSDKSA-N 0 1 364.405 3.269 20 5 FGBDMN CC[C@@H](C)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000456530376 501543005 /nfs/dbraw/zinc/54/30/05/501543005.db2.gz YGDSEDNSMPVBFW-LLVKDONJSA-N 0 1 359.348 3.170 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](OC)c1cccc(OC)c1 ZINC000598988949 506263995 /nfs/dbraw/zinc/26/39/95/506263995.db2.gz WKNTUHVEKPATLA-IBGZPJMESA-N 0 1 360.410 3.479 20 5 FGBDMN Cc1c(CNCc2ccccc2N2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000459536167 501671674 /nfs/dbraw/zinc/67/16/74/501671674.db2.gz YCVQCGQLQUTRDT-HNNXBMFYSA-N 0 1 355.438 3.418 20 5 FGBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1C ZINC000485178152 501749089 /nfs/dbraw/zinc/74/90/89/501749089.db2.gz MOOCUYOOWACASX-MNOVXSKESA-N 0 1 357.252 3.427 20 5 FGBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000485398971 501809469 /nfs/dbraw/zinc/80/94/69/501809469.db2.gz ABCJGJVQAOBQSI-SNVBAGLBSA-N 0 1 356.361 3.071 20 5 FGBDMN CSc1ccccc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470996116 501886797 /nfs/dbraw/zinc/88/67/97/501886797.db2.gz QNGRCANQVUPFHD-OAHLLOKOSA-N 0 1 362.451 3.188 20 5 FGBDMN Nc1c(F)c(N2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471250892 501967246 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FGBDMN Cc1nn(C)c(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)c1[N+](=O)[O-] ZINC000102733361 495158087 /nfs/dbraw/zinc/15/80/87/495158087.db2.gz HBTATTHGVHMBFL-UHFFFAOYSA-N 0 1 371.441 3.251 20 5 FGBDMN O=C(Nc1ccc(Br)cc1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134536123 495164581 /nfs/dbraw/zinc/16/45/81/495164581.db2.gz JZXDZKHKUOCMCW-UHFFFAOYSA-N 0 1 355.119 3.454 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCCC[C@@H]3n3cccn3)o2)cc1 ZINC000129122742 495199522 /nfs/dbraw/zinc/19/95/22/495199522.db2.gz DSFDAZIEWQSTFD-HOTGVXAUSA-N 0 1 368.397 3.115 20 5 FGBDMN COc1ccccc1C(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000103484197 495241755 /nfs/dbraw/zinc/24/17/55/495241755.db2.gz SBPXIMQVDOEFQY-UHFFFAOYSA-N 0 1 369.421 3.017 20 5 FGBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000114489701 495385078 /nfs/dbraw/zinc/38/50/78/495385078.db2.gz NQQMHYKKDHWIIF-LJQANCHMSA-N 0 1 353.422 3.047 20 5 FGBDMN NC(=O)c1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000138784899 495467784 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FGBDMN CC(C)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 ZINC000179567759 495643287 /nfs/dbraw/zinc/64/32/87/495643287.db2.gz NEZVWORPHDWLGT-UHFFFAOYSA-N 0 1 357.385 3.148 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000159303677 495705629 /nfs/dbraw/zinc/70/56/29/495705629.db2.gz HWSRFHZATHYQTE-CVEARBPZSA-N 0 1 355.438 3.301 20 5 FGBDMN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000179788461 495734100 /nfs/dbraw/zinc/73/41/00/495734100.db2.gz PQRSRFAQETVFBP-KDOFPFPSSA-N 0 1 366.364 3.354 20 5 FGBDMN O=C(N[C@H]1CCCOc2c(F)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183311512 495926500 /nfs/dbraw/zinc/92/65/00/495926500.db2.gz AXGPCCWHTXINEM-AWEZNQCLSA-N 0 1 370.340 3.254 20 5 FGBDMN Cc1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000155458682 495961989 /nfs/dbraw/zinc/96/19/89/495961989.db2.gz GYERJDDJPOURPS-HNNXBMFYSA-N 0 1 368.437 3.254 20 5 FGBDMN Cc1ccc(C(=O)CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000160581020 495996135 /nfs/dbraw/zinc/99/61/35/495996135.db2.gz LBSJTALROPFCNN-INIZCTEOSA-N 0 1 354.410 3.057 20 5 FGBDMN O=c1cc(CN2CC[C@](O)(C(F)(F)F)C2)c2c(ccc3ccccc32)o1 ZINC000177277317 496004076 /nfs/dbraw/zinc/00/40/76/496004076.db2.gz UTBOQOKXRYWIDQ-GOSISDBHSA-N 0 1 363.335 3.445 20 5 FGBDMN CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000183620322 496051807 /nfs/dbraw/zinc/05/18/07/496051807.db2.gz BOJVQIYMYVDKKR-UHFFFAOYSA-N 0 1 369.425 3.118 20 5 FGBDMN COc1ccc(OCCN2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186711998 496116566 /nfs/dbraw/zinc/11/65/66/496116566.db2.gz PPENGJHZPZZEHS-FQEVSTJZSA-N 0 1 370.405 3.114 20 5 FGBDMN Cc1ccc2nc(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000174891336 496153041 /nfs/dbraw/zinc/15/30/41/496153041.db2.gz KEWONQYZPYJDHE-UHFFFAOYSA-N 0 1 367.409 3.288 20 5 FGBDMN Cc1c(CN[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000183900824 496154286 /nfs/dbraw/zinc/15/42/86/496154286.db2.gz QIJFRFJBXJOODO-OAHLLOKOSA-N 0 1 365.227 3.489 20 5 FGBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000152635104 496209646 /nfs/dbraw/zinc/20/96/46/496209646.db2.gz PDGKMYKUZRKPBI-AWEZNQCLSA-N 0 1 365.499 3.367 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1 ZINC000175040599 496221912 /nfs/dbraw/zinc/22/19/12/496221912.db2.gz ZTASZYVYPRQZBH-UHFFFAOYSA-N 0 1 366.370 3.466 20 5 FGBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000152728844 496237879 /nfs/dbraw/zinc/23/78/79/496237879.db2.gz XJOJGNVIDODVLY-BIENSFFJSA-N 0 1 374.462 3.368 20 5 FGBDMN Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580775904 505836088 /nfs/dbraw/zinc/83/60/88/505836088.db2.gz HZMQFULBZSEIHO-UHFFFAOYSA-N 0 1 369.421 3.462 20 5 FGBDMN COc1cc(CN2CC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000178256669 496389059 /nfs/dbraw/zinc/38/90/59/496389059.db2.gz SOXKNRLBGJXUHP-HNNXBMFYSA-N 0 1 372.425 3.002 20 5 FGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000181486117 496415416 /nfs/dbraw/zinc/41/54/16/496415416.db2.gz SAPYMUCOXJBBTP-WQGACYEGSA-N 0 1 369.849 3.058 20 5 FGBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000162841379 496420303 /nfs/dbraw/zinc/42/03/03/496420303.db2.gz UAGYCHQCXMROSC-UHFFFAOYSA-N 0 1 371.784 3.006 20 5 FGBDMN Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000157341609 496457049 /nfs/dbraw/zinc/45/70/49/496457049.db2.gz SDPVMSIEVWEVBB-UHFFFAOYSA-N 0 1 362.455 3.171 20 5 FGBDMN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184665432 496485591 /nfs/dbraw/zinc/48/55/91/496485591.db2.gz ASCYDLRHCRWBPM-HNNXBMFYSA-N 0 1 361.398 3.111 20 5 FGBDMN O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc2n1CCCCC2)C1CC1 ZINC000157492125 496488553 /nfs/dbraw/zinc/48/85/53/496488553.db2.gz CYYWRDPOWXSJAM-INIZCTEOSA-N 0 1 355.442 3.024 20 5 FGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCSCC2)c1 ZINC000172913301 496488664 /nfs/dbraw/zinc/48/86/64/496488664.db2.gz OZMACPAMJXVSOB-UHFFFAOYSA-N 0 1 371.462 3.325 20 5 FGBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000163708268 496549164 /nfs/dbraw/zinc/54/91/64/496549164.db2.gz KONODBLRORSIRN-CQSZACIVSA-N 0 1 369.425 3.337 20 5 FGBDMN Cc1ccc([C@H](C)NCC(=O)NCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000181833028 496565198 /nfs/dbraw/zinc/56/51/98/496565198.db2.gz ZSCUCJXGCKMNMI-LBPRGKRZSA-N 0 1 363.364 3.148 20 5 FGBDMN Cc1ccc([C@@H](C)NCc2cc(=O)n3cccc(C)c3n2)cc1[N+](=O)[O-] ZINC000181843004 496569140 /nfs/dbraw/zinc/56/91/40/496569140.db2.gz UUOGMFKQKCQZLR-CQSZACIVSA-N 0 1 352.394 3.070 20 5 FGBDMN CN(c1ccccc1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178865859 496599336 /nfs/dbraw/zinc/59/93/36/496599336.db2.gz GTKOECCVTLVKKD-HXUWFJFHSA-N 0 1 355.438 3.229 20 5 FGBDMN CCCc1[nH]nc(C(=O)Nc2nc(-c3cccs3)ns2)c1[N+](=O)[O-] ZINC000182141365 496685505 /nfs/dbraw/zinc/68/55/05/496685505.db2.gz KRRKDKFDXNFPCD-UHFFFAOYSA-N 0 1 364.412 3.103 20 5 FGBDMN Cc1cnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000277500605 496793429 /nfs/dbraw/zinc/79/34/29/496793429.db2.gz AUGJCFUILVXRTA-JTQLQIEISA-N 0 1 355.320 3.424 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3sccc32)cc1 ZINC000273442664 496807052 /nfs/dbraw/zinc/80/70/52/496807052.db2.gz NFBZKQHGIFWWJP-HNNXBMFYSA-N 0 1 366.464 3.097 20 5 FGBDMN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209539 496895692 /nfs/dbraw/zinc/89/56/92/496895692.db2.gz VJQASCZRRSJRLU-KRWDZBQOSA-N 0 1 366.377 3.164 20 5 FGBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000191962745 496944835 /nfs/dbraw/zinc/94/48/35/496944835.db2.gz DKTAJNSJGOUHBA-UHFFFAOYSA-N 0 1 374.397 3.018 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000269556855 496970098 /nfs/dbraw/zinc/97/00/98/496970098.db2.gz ZJTAKNRLJIHKES-AWEZNQCLSA-N 0 1 370.409 3.319 20 5 FGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000219077816 497006988 /nfs/dbraw/zinc/00/69/88/497006988.db2.gz OSTGOAACIKTJBZ-UHFFFAOYSA-N 0 1 362.285 3.294 20 5 FGBDMN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000248882480 497125368 /nfs/dbraw/zinc/12/53/68/497125368.db2.gz GBONHFDWFAAOIE-UKRRQHHQSA-N 0 1 358.394 3.486 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000192591726 497158112 /nfs/dbraw/zinc/15/81/12/497158112.db2.gz MLEBVAVVPGKRJR-NHYWBVRUSA-N 0 1 360.439 3.199 20 5 FGBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000270751872 497194705 /nfs/dbraw/zinc/19/47/05/497194705.db2.gz MYUYKXSSIKJLHK-GHMZBOCLSA-N 0 1 363.443 3.194 20 5 FGBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3csc([N+](=O)[O-])c3)C1)CCCC2 ZINC000275215418 497257228 /nfs/dbraw/zinc/25/72/28/497257228.db2.gz CIGZXTPMEDQHTK-CYBMUJFWSA-N 0 1 360.439 3.127 20 5 FGBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1c1ccccc1 ZINC000572127743 505895994 /nfs/dbraw/zinc/89/59/94/505895994.db2.gz QYDFRKAGOZGPKD-HUUCEWRRSA-N 0 1 367.361 3.036 20 5 FGBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000275367273 497304190 /nfs/dbraw/zinc/30/41/90/497304190.db2.gz BTOOUORDJVWTDQ-GJZGRUSLSA-N 0 1 350.806 3.084 20 5 FGBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCc1ccco1 ZINC000237948864 497318252 /nfs/dbraw/zinc/31/82/52/497318252.db2.gz AGNKCMBALNQLMG-UHFFFAOYSA-N 0 1 371.418 3.322 20 5 FGBDMN CC(C)(C)C(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255570819 497369708 /nfs/dbraw/zinc/36/97/08/497369708.db2.gz SLDALDLJHXDOPS-BJIFSAINSA-N 0 1 359.470 3.482 20 5 FGBDMN CCCc1[nH]nc(C(=O)Nc2nnc(C=Cc3ccco3)s2)c1[N+](=O)[O-] ZINC000255636632 497372716 /nfs/dbraw/zinc/37/27/16/497372716.db2.gz BJCGDMLNIKXCHG-SREVYHEPSA-N 0 1 374.382 3.138 20 5 FGBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266624649 497383823 /nfs/dbraw/zinc/38/38/23/497383823.db2.gz VZDKRIAJWZAISL-UHFFFAOYSA-N 0 1 356.304 3.008 20 5 FGBDMN C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271654595 497410559 /nfs/dbraw/zinc/41/05/59/497410559.db2.gz WAEAZUZGIQHNFA-WBMJQRKESA-N 0 1 362.455 3.319 20 5 FGBDMN C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000266770361 497416466 /nfs/dbraw/zinc/41/64/66/497416466.db2.gz JFDSCZLVNMCSKY-AWEZNQCLSA-N 0 1 357.410 3.398 20 5 FGBDMN O=C1CCCN1[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000276786681 497653480 /nfs/dbraw/zinc/65/34/80/497653480.db2.gz KFKAKPNSVSLLTK-INIZCTEOSA-N 0 1 355.394 3.052 20 5 FGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000272541225 497656476 /nfs/dbraw/zinc/65/64/76/497656476.db2.gz OAAGERFUUYRKSN-SNVBAGLBSA-N 0 1 360.370 3.222 20 5 FGBDMN Cc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000194541446 497700111 /nfs/dbraw/zinc/70/01/11/497700111.db2.gz AJHKJZUHWBXREA-MRXNPFEDSA-N 0 1 357.410 3.372 20 5 FGBDMN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272811315 497735928 /nfs/dbraw/zinc/73/59/28/497735928.db2.gz GYDRNPBKKOUZJN-UHFFFAOYSA-N 0 1 366.377 3.007 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CC(C)(C)OC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000417596901 500121227 /nfs/dbraw/zinc/12/12/27/500121227.db2.gz MGNXHQLVRWMHRR-HNNXBMFYSA-N 0 1 362.382 3.213 20 5 FGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425551518 500142981 /nfs/dbraw/zinc/14/29/81/500142981.db2.gz JSQCPNBHOYHIKZ-KBXCAEBGSA-N 0 1 373.453 3.203 20 5 FGBDMN CCCCNC(=O)C1(NCc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000430205737 500208855 /nfs/dbraw/zinc/20/88/55/500208855.db2.gz JORSONPOMMRJMS-UHFFFAOYSA-N 0 1 363.458 3.312 20 5 FGBDMN Cc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000426827361 500326114 /nfs/dbraw/zinc/32/61/14/500326114.db2.gz HZJNUPRYOLUWKB-HNNXBMFYSA-N 0 1 350.321 3.487 20 5 FGBDMN CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000573433692 506193475 /nfs/dbraw/zinc/19/34/75/506193475.db2.gz ZBKLUBZRXWEMQP-HUUCEWRRSA-N 0 1 361.423 3.153 20 5 FGBDMN C[C@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000428323195 500495516 /nfs/dbraw/zinc/49/55/16/500495516.db2.gz BALNMTNFFFXTCZ-HXUWFJFHSA-N 0 1 369.421 3.085 20 5 FGBDMN C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436985099 500586772 /nfs/dbraw/zinc/58/67/72/500586772.db2.gz GSOIPBFBTWJWLF-GJZGRUSLSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436985099 500586773 /nfs/dbraw/zinc/58/67/73/500586773.db2.gz GSOIPBFBTWJWLF-GJZGRUSLSA-N 0 1 369.421 3.035 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000433343696 500676673 /nfs/dbraw/zinc/67/66/73/500676673.db2.gz NZLVJLQSCLLRAR-CYBMUJFWSA-N 0 1 350.325 3.272 20 5 FGBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(CC)CC ZINC000434021409 500782944 /nfs/dbraw/zinc/78/29/44/500782944.db2.gz KGZGMMYYYDYOBR-STQMWFEESA-N 0 1 366.462 3.497 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434238965 500814210 /nfs/dbraw/zinc/81/42/10/500814210.db2.gz GZJVWJDHZLNEHB-OAHLLOKOSA-N 0 1 372.425 3.120 20 5 FGBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000434243199 500815576 /nfs/dbraw/zinc/81/55/76/500815576.db2.gz CXNDGSVFJXPFNO-QWHCGFSZSA-N 0 1 366.462 3.497 20 5 FGBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000434279312 500820830 /nfs/dbraw/zinc/82/08/30/500820830.db2.gz IBDZWKDHBYOVGQ-UHFFFAOYSA-N 0 1 368.315 3.357 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434416946 500839910 /nfs/dbraw/zinc/83/99/10/500839910.db2.gz RKDBLOGJBADHKB-XJKSGUPXSA-N 0 1 363.483 3.209 20 5 FGBDMN CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000444656197 500874248 /nfs/dbraw/zinc/87/42/48/500874248.db2.gz CVUZONWFAIGINS-RHSMWYFYSA-N 0 1 354.472 3.269 20 5 FGBDMN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000444757915 500892999 /nfs/dbraw/zinc/89/29/99/500892999.db2.gz GHUXMINWUJVSRY-JTQLQIEISA-N 0 1 366.658 3.144 20 5 FGBDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900565 500909602 /nfs/dbraw/zinc/90/96/02/500909602.db2.gz NVSOWJRBVFGONR-BEFAXECRSA-N 0 1 365.433 3.362 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(Cc2ccccc2)CC1 ZINC000435120833 500935778 /nfs/dbraw/zinc/93/57/78/500935778.db2.gz UGNJGGQDINEZGV-UHFFFAOYSA-N 0 1 364.398 3.035 20 5 FGBDMN COc1cc(CN2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449491880 501016370 /nfs/dbraw/zinc/01/63/70/501016370.db2.gz AYEYYMOYZONRHD-SMDDNHRTSA-N 0 1 374.384 3.104 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1[N+](=O)[O-] ZINC000446750027 501160687 /nfs/dbraw/zinc/16/06/87/501160687.db2.gz DVTWOZOMLMDNRK-UHFFFAOYSA-N 0 1 373.800 3.144 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000450124018 501187146 /nfs/dbraw/zinc/18/71/46/501187146.db2.gz CSEOACVAOINKHO-IAGOWNOFSA-N 0 1 372.450 3.485 20 5 FGBDMN C[C@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451106384 501246214 /nfs/dbraw/zinc/24/62/14/501246214.db2.gz OXDJLKZDIIMRJE-LIRRHRJNSA-N 0 1 353.422 3.439 20 5 FGBDMN Cc1cc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1F ZINC000451159619 501249048 /nfs/dbraw/zinc/24/90/48/501249048.db2.gz BJQHVQYZDUJOGU-CYBMUJFWSA-N 0 1 357.385 3.282 20 5 FGBDMN Cc1cc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F ZINC000451161833 501249182 /nfs/dbraw/zinc/24/91/82/501249182.db2.gz KIGGKRLXCYAVFI-FZKQIMNGSA-N 0 1 357.385 3.498 20 5 FGBDMN COc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1F ZINC000451230159 501253738 /nfs/dbraw/zinc/25/37/38/501253738.db2.gz WECBKBUMAHDRHU-UHFFFAOYSA-N 0 1 364.377 3.035 20 5 FGBDMN C[C@H](CCCc1cccnc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457914705 501333860 /nfs/dbraw/zinc/33/38/60/501333860.db2.gz RJXDLOMQDRPSID-GFCCVEGCSA-N 0 1 353.382 3.007 20 5 FGBDMN COc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598962383 506248063 /nfs/dbraw/zinc/24/80/63/506248063.db2.gz HEGBLURFETZJEY-UHFFFAOYSA-N 0 1 358.394 3.443 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000452186221 501456503 /nfs/dbraw/zinc/45/65/03/501456503.db2.gz WRGOTORJAQSVPW-JSGCOSHPSA-N 0 1 356.426 3.424 20 5 FGBDMN CC[C@@H](C)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000456559264 501547979 /nfs/dbraw/zinc/54/79/79/501547979.db2.gz SJQIRLRSGNHPPM-CYBMUJFWSA-N 0 1 374.466 3.275 20 5 FGBDMN CN1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000456592798 501553989 /nfs/dbraw/zinc/55/39/89/501553989.db2.gz HXBYQPBPGWONQJ-HNNXBMFYSA-N 0 1 365.393 3.172 20 5 FGBDMN C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000454530069 501570716 /nfs/dbraw/zinc/57/07/16/501570716.db2.gz FJJUKLFDSGUXQM-SCLBCKFNSA-N 0 1 374.416 3.397 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@]2(CCSC2)C1 ZINC000456848845 501609772 /nfs/dbraw/zinc/60/97/72/501609772.db2.gz VGOAMEPTVGZKGJ-GOSISDBHSA-N 0 1 372.450 3.344 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459576580 501680147 /nfs/dbraw/zinc/68/01/47/501680147.db2.gz GMMONQHCFNCNJB-GOSISDBHSA-N 0 1 350.415 3.157 20 5 FGBDMN CCOC(=O)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)cc([N+](=O)[O-])c1 ZINC000481339369 501749243 /nfs/dbraw/zinc/74/92/43/501749243.db2.gz KGPCMJHWCHHUFK-UHFFFAOYSA-N 0 1 368.349 3.209 20 5 FGBDMN Cc1c(CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000485475896 501831982 /nfs/dbraw/zinc/83/19/82/501831982.db2.gz DGWWXNRVFQYHBD-UHFFFAOYSA-N 0 1 355.329 3.009 20 5 FGBDMN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000599021021 506282402 /nfs/dbraw/zinc/28/24/02/506282402.db2.gz RWTFLWNNIYJKMU-DOTOQJQBSA-N 0 1 370.365 3.166 20 5 FGBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccc(F)cc21 ZINC000468031837 501935271 /nfs/dbraw/zinc/93/52/71/501935271.db2.gz SZQRKHOZZBBOTL-BZNIZROVSA-N 0 1 359.357 3.174 20 5 FGBDMN CCOc1cccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481985842 501935508 /nfs/dbraw/zinc/93/55/08/501935508.db2.gz YFJVUEJICSUSNT-UHFFFAOYSA-N 0 1 350.396 3.411 20 5 FGBDMN CCc1ccc(C(=O)NCCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481999503 501942955 /nfs/dbraw/zinc/94/29/55/501942955.db2.gz PFPURPFKORKPFR-UHFFFAOYSA-N 0 1 359.401 3.158 20 5 FGBDMN CC(C)c1nc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c2ccccn21 ZINC000602732518 506279164 /nfs/dbraw/zinc/27/91/64/506279164.db2.gz RCGHNKPKFFCZDU-FQEVSTJZSA-N 0 1 368.437 3.363 20 5 FGBDMN COC(=O)c1cc(C2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000602747777 506284484 /nfs/dbraw/zinc/28/44/84/506284484.db2.gz PQAQVXRSYAAANG-UHFFFAOYSA-N 0 1 359.382 3.057 20 5 FGBDMN COC(=O)COc1ccccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478496316 502000616 /nfs/dbraw/zinc/00/06/16/502000616.db2.gz GJHDRHCFCGZTJJ-CQSZACIVSA-N 0 1 358.394 3.306 20 5 FGBDMN CCc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000471391583 502009111 /nfs/dbraw/zinc/00/91/11/502009111.db2.gz DCYHRNBEZOZZDC-GOSISDBHSA-N 0 1 359.401 3.329 20 5 FGBDMN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000461293572 502065921 /nfs/dbraw/zinc/06/59/21/502065921.db2.gz YXYIZYIMGPHXAB-CYBMUJFWSA-N 0 1 352.394 3.449 20 5 FGBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468496423 502080581 /nfs/dbraw/zinc/08/05/81/502080581.db2.gz SSQVXCUJEUEFEJ-UHFFFAOYSA-N 0 1 362.389 3.428 20 5 FGBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475237699 502106838 /nfs/dbraw/zinc/10/68/38/502106838.db2.gz SKYXWURXFMFSPV-AWEZNQCLSA-N 0 1 374.363 3.418 20 5 FGBDMN Cc1c(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000478933375 502125266 /nfs/dbraw/zinc/12/52/66/502125266.db2.gz YFZQCRGJILEOJN-SFHVURJKSA-N 0 1 374.416 3.144 20 5 FGBDMN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000461538729 502139213 /nfs/dbraw/zinc/13/92/13/502139213.db2.gz VZNFFEAWOWHKFH-CQSZACIVSA-N 0 1 371.441 3.182 20 5 FGBDMN COc1cccc(C=C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000602781518 506297138 /nfs/dbraw/zinc/29/71/38/506297138.db2.gz AEOUCDGNGDDMQU-UHFFFAOYSA-N 0 1 356.426 3.288 20 5 FGBDMN C[C@@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)(C1CC1)C(F)(F)F ZINC000479140223 502174099 /nfs/dbraw/zinc/17/40/99/502174099.db2.gz LLEQSLJYVXIWFQ-LLVKDONJSA-N 0 1 372.752 3.258 20 5 FGBDMN COc1c(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000475522605 502202977 /nfs/dbraw/zinc/20/29/77/502202977.db2.gz BOYBOUMBFKWOCQ-MRXNPFEDSA-N 0 1 373.409 3.072 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000483013747 502244570 /nfs/dbraw/zinc/24/45/70/502244570.db2.gz GKRYOOXTGRENRR-SFHVURJKSA-N 0 1 360.389 3.384 20 5 FGBDMN COC(=O)c1cc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2o1 ZINC000475708525 502259689 /nfs/dbraw/zinc/25/96/89/502259689.db2.gz HQKQSULTQOOYIS-UHFFFAOYSA-N 0 1 356.290 3.086 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)o1 ZINC000479462553 502266327 /nfs/dbraw/zinc/26/63/27/502266327.db2.gz HNKOKIDJPTZLOD-UHFFFAOYSA-N 0 1 352.310 3.015 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000469119589 502305031 /nfs/dbraw/zinc/30/50/31/502305031.db2.gz ZJRCRIDYPGCDOG-UHFFFAOYSA-N 0 1 374.321 3.006 20 5 FGBDMN CC1(C)C[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462151766 502325629 /nfs/dbraw/zinc/32/56/29/502325629.db2.gz ZWLDUENQXZKRNK-ZETCQYMHSA-N 0 1 353.227 3.226 20 5 FGBDMN Cc1ccc2nc(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000465658858 502339245 /nfs/dbraw/zinc/33/92/45/502339245.db2.gz LJLNDOBXYDOCQL-GFCCVEGCSA-N 0 1 353.382 3.340 20 5 FGBDMN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476234862 502424372 /nfs/dbraw/zinc/42/43/72/502424372.db2.gz JSZNTBKGEKJHQW-UHFFFAOYSA-N 0 1 358.350 3.463 20 5 FGBDMN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480019544 502448218 /nfs/dbraw/zinc/44/82/18/502448218.db2.gz 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CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)CC(=O)[O-])cc1OC ZINC000565786532 504987123 /nfs/dbraw/zinc/98/71/23/504987123.db2.gz DLGZYFXWMGSISH-QWHCGFSZSA-N 0 1 368.430 3.323 20 5 FGBDMN CC(C)C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)C ZINC000551558540 505253443 /nfs/dbraw/zinc/25/34/43/505253443.db2.gz FVNFMWBGFLGMDZ-UHFFFAOYSA-N 0 1 353.488 3.342 20 5 FGBDMN O=[N+]([O-])c1cccc2ncnc(NC3CCN(Cc4cccnc4)CC3)c21 ZINC000561323766 505313970 /nfs/dbraw/zinc/31/39/70/505313970.db2.gz MJNQVMYGSHDVRG-UHFFFAOYSA-N 0 1 364.409 3.010 20 5 FGBDMN COc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000564243306 505361762 /nfs/dbraw/zinc/36/17/62/505361762.db2.gz AOVJTXFDEPFWNT-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN CC(C)OCCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000558522911 505415992 /nfs/dbraw/zinc/41/59/92/505415992.db2.gz ZKDGIPMJEJKUQS-LBPRGKRZSA-N 0 1 357.838 3.322 20 5 FGBDMN CO[C@@H]1COC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000567853660 505568557 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DYFOGVYZXZPXAQ-CYBMUJFWSA-N 0 1 363.439 3.126 20 5 FGBDMN COc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000603836543 506629357 /nfs/dbraw/zinc/62/93/57/506629357.db2.gz CFJKNHSMLGWPTR-UHFFFAOYSA-N 0 1 355.438 3.230 20 5 FGBDMN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000603977492 506678039 /nfs/dbraw/zinc/67/80/39/506678039.db2.gz APVQDPJDMMHLPF-UHFFFAOYSA-N 0 1 363.395 3.053 20 5 FGBDMN Cc1[nH]c2ccccc2c1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000608881802 506736718 /nfs/dbraw/zinc/73/67/18/506736718.db2.gz GAMCIMQRKHVKRU-UHFFFAOYSA-N 0 1 363.377 3.233 20 5 FGBDMN CN1CCC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000604198274 506746579 /nfs/dbraw/zinc/74/65/79/506746579.db2.gz FDQMDEZSLSDWDT-MRXNPFEDSA-N 0 1 354.410 3.162 20 5 FGBDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739378 506756333 /nfs/dbraw/zinc/75/63/33/506756333.db2.gz ZDZZCRLIPYJNEN-AWEZNQCLSA-N 0 1 356.378 3.291 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000590171457 506756807 /nfs/dbraw/zinc/75/68/07/506756807.db2.gz VZFKBBBQVKNJOM-MRXNPFEDSA-N 0 1 370.327 3.226 20 5 FGBDMN CCOc1cc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-] ZINC000593750442 506759012 /nfs/dbraw/zinc/75/90/12/506759012.db2.gz FITNULHYJLHQFS-UHFFFAOYSA-N 0 1 356.378 3.250 20 5 FGBDMN CCOc1cc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-] ZINC000593750442 506759017 /nfs/dbraw/zinc/75/90/17/506759017.db2.gz FITNULHYJLHQFS-UHFFFAOYSA-N 0 1 356.378 3.250 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593760387 506765610 /nfs/dbraw/zinc/76/56/10/506765610.db2.gz BNUSLUAOHVZHMF-GOSISDBHSA-N 0 1 360.389 3.384 20 5 FGBDMN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCc2nc[nH]c2C1 ZINC000590379104 506807412 /nfs/dbraw/zinc/80/74/12/506807412.db2.gz KZJDDMGMUYAYIJ-UHFFFAOYSA-N 0 1 364.361 3.309 20 5 FGBDMN CCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000609197322 506809895 /nfs/dbraw/zinc/80/98/95/506809895.db2.gz PVZJDODJYUDVQZ-CYBMUJFWSA-N 0 1 369.830 3.463 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000604493870 506849775 /nfs/dbraw/zinc/84/97/75/506849775.db2.gz SRDGCYGIFAIRID-UHFFFAOYSA-N 0 1 368.361 3.231 20 5 FGBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441244 506881574 /nfs/dbraw/zinc/88/15/74/506881574.db2.gz KZWKTTIODDUNLM-QGZVFWFLSA-N 0 1 357.385 3.128 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476830 506893396 /nfs/dbraw/zinc/89/33/96/506893396.db2.gz COISEEUQWCVZLE-KSSFIOAISA-N 0 1 372.425 3.120 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609489401 506897581 /nfs/dbraw/zinc/89/75/81/506897581.db2.gz NIHBXXDVBMFRBT-UHFFFAOYSA-N 0 1 360.757 3.063 20 5 FGBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000609540630 506913678 /nfs/dbraw/zinc/91/36/78/506913678.db2.gz RJXDCXSCTVCFCG-LJQANCHMSA-N 0 1 369.421 3.101 20 5 FGBDMN CCOC(=O)c1cc(C(=O)Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000609650685 506961965 /nfs/dbraw/zinc/96/19/65/506961965.db2.gz WPRTZJCLTVQHPQ-UHFFFAOYSA-N 0 1 364.741 3.383 20 5 FGBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597860193 507137579 /nfs/dbraw/zinc/13/75/79/507137579.db2.gz LNPWBDLQDUIFRH-LLVKDONJSA-N 0 1 359.348 3.216 20 5 FGBDMN O=[N+]([O-])c1cccc(C=C(O)Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000610225729 507147232 /nfs/dbraw/zinc/14/72/32/507147232.db2.gz FNPSBHZOQRFGOR-UHFFFAOYSA-N 0 1 374.809 3.370 20 5 FGBDMN COCC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000591269631 507177374 /nfs/dbraw/zinc/17/73/74/507177374.db2.gz KMCGLXHKTBSJEW-UHFFFAOYSA-N 0 1 368.773 3.041 20 5 FGBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000591269631 507177378 /nfs/dbraw/zinc/17/73/78/507177378.db2.gz KMCGLXHKTBSJEW-UHFFFAOYSA-N 0 1 368.773 3.041 20 5 FGBDMN O=[N+]([O-])c1ccn(CCSc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000610499708 507264393 /nfs/dbraw/zinc/26/43/93/507264393.db2.gz LTBJCIKKFBDNCI-UHFFFAOYSA-N 0 1 357.317 3.479 20 5 FGBDMN COc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000601150588 507279332 /nfs/dbraw/zinc/27/93/32/507279332.db2.gz ZSQBVEHDOAFUJA-QGZVFWFLSA-N 0 1 350.802 3.254 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCO[C@H]3CC3(F)F)cs2)c1 ZINC000594970926 507336119 /nfs/dbraw/zinc/33/61/19/507336119.db2.gz PLNYRNTXNFQUCO-ZDUSSCGKSA-N 0 1 355.366 3.232 20 5 FGBDMN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000598347792 507388035 /nfs/dbraw/zinc/38/80/35/507388035.db2.gz DEWCKANKYINBEM-ZDUSSCGKSA-N 0 1 370.409 3.159 20 5 FGBDMN Cc1c(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000610970320 507459460 /nfs/dbraw/zinc/45/94/60/507459460.db2.gz XAXLSJZXZQSKBT-UHFFFAOYSA-N 0 1 358.785 3.292 20 5 FGBDMN CCN(CC)C(=O)C1(NCc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595373389 507473727 /nfs/dbraw/zinc/47/37/27/507473727.db2.gz ZUQWAJCCRINDPZ-UHFFFAOYSA-N 0 1 351.422 3.395 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N2CC3(C[C@@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592184314 507527280 /nfs/dbraw/zinc/52/72/80/507527280.db2.gz NOZOMEBJVGJEOI-ZFWWWQNUSA-N 0 1 361.442 3.121 20 5 FGBDMN C[C@H]1c2ccccc2C[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595709178 507642448 /nfs/dbraw/zinc/64/24/48/507642448.db2.gz WOADXNWHYBEDAR-YVEFUNNKSA-N 0 1 350.378 3.463 20 5 FGBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C1CC1)N1CCCC1 ZINC000586836033 507689124 /nfs/dbraw/zinc/68/91/24/507689124.db2.gz OVLAWQPWGGEQEL-AWEZNQCLSA-N 0 1 368.231 3.170 20 5 FGBDMN CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000737029947 600090878 /nfs/dbraw/zinc/09/08/78/600090878.db2.gz IYMFLARYYHOTHG-UHFFFAOYSA-N 0 1 369.377 3.271 20 5 FGBDMN CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000737029947 600090881 /nfs/dbraw/zinc/09/08/81/600090881.db2.gz IYMFLARYYHOTHG-UHFFFAOYSA-N 0 1 369.377 3.271 20 5 FGBDMN CC(C)C[N@H+]1CC[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826881483 604271989 /nfs/dbraw/zinc/27/19/89/604271989.db2.gz WIUCIEIJPPEEQJ-NSHDSACASA-N 0 1 355.822 3.336 20 5 FGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833420387 605290692 /nfs/dbraw/zinc/29/06/92/605290692.db2.gz QWDFCICALKLHIU-MRXNPFEDSA-N 0 1 372.425 3.239 20 5 FGBDMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000834226360 605573343 /nfs/dbraw/zinc/57/33/43/605573343.db2.gz WHYGYRWNOJGJIX-LBPRGKRZSA-N 0 1 361.423 3.413 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cs1 ZINC000120201352 700650394 /nfs/dbraw/zinc/65/03/94/700650394.db2.gz WOERCUICUKDYKH-UHFFFAOYSA-N 0 1 351.365 3.112 20 5 FGBDMN Cc1coc(-c2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)n1 ZINC000120286786 700652071 /nfs/dbraw/zinc/65/20/71/700652071.db2.gz MCLSSVQZAGJQSK-UHFFFAOYSA-N 0 1 365.392 3.421 20 5 FGBDMN CN(C)[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000131305744 700813275 /nfs/dbraw/zinc/81/32/75/700813275.db2.gz 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374.466 3.000 20 5 FGBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)n1 ZINC000191779424 496885889 /nfs/dbraw/zinc/88/58/89/496885889.db2.gz ZZGYTJLIRANLKE-UHFFFAOYSA-N 0 1 366.337 3.200 20 5 FGBDMN Cc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195663540 496959196 /nfs/dbraw/zinc/95/91/96/496959196.db2.gz VVYCPZKPGMDCFU-OAHLLOKOSA-N 0 1 368.437 3.472 20 5 FGBDMN C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000248438159 497011823 /nfs/dbraw/zinc/01/18/23/497011823.db2.gz BSNZXBKMAJXPHE-HLLBOEOZSA-N 0 1 360.410 3.401 20 5 FGBDMN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000248438159 497011828 /nfs/dbraw/zinc/01/18/28/497011828.db2.gz BSNZXBKMAJXPHE-HLLBOEOZSA-N 0 1 360.410 3.401 20 5 FGBDMN COCCCN(C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271175549 497281078 /nfs/dbraw/zinc/28/10/78/497281078.db2.gz FQFMCQIXFPLTMF-UHFFFAOYSA-N 0 1 366.336 3.013 20 5 FGBDMN 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20 5 FGBDMN COc1cc(F)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481979718 501934662 /nfs/dbraw/zinc/93/46/62/501934662.db2.gz ISUFZPDROGGKCT-UHFFFAOYSA-N 0 1 354.359 3.160 20 5 FGBDMN CN(C)c1nc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2[nH]1 ZINC000468043083 501938633 /nfs/dbraw/zinc/93/86/33/501938633.db2.gz QVTAEOXVJIDCGI-UHFFFAOYSA-N 0 1 359.773 3.443 20 5 FGBDMN COC(=O)c1cc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000602749466 506284513 /nfs/dbraw/zinc/28/45/13/506284513.db2.gz XTDUWZSWODBHLH-UHFFFAOYSA-N 0 1 359.382 3.057 20 5 FGBDMN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1[N+](=O)[O-] ZINC000461211840 502040633 /nfs/dbraw/zinc/04/06/33/502040633.db2.gz IOZOLJUOFFWALF-UHFFFAOYSA-N 0 1 361.423 3.286 20 5 FGBDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000475198925 502097143 /nfs/dbraw/zinc/09/71/43/502097143.db2.gz RRAJJUWNQPGMPY-UWVGGRQHSA-N 0 1 360.336 3.170 20 5 FGBDMN C[C@@H](C(=O)NCCC1=CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000582558345 506293753 /nfs/dbraw/zinc/29/37/53/506293753.db2.gz AYBBVZNLQWGXNA-INIZCTEOSA-N 0 1 359.470 3.464 20 5 FGBDMN CCc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000471779887 502135801 /nfs/dbraw/zinc/13/58/01/502135801.db2.gz KGGAANLJADCFAI-SFHVURJKSA-N 0 1 359.401 3.329 20 5 FGBDMN O=c1[nH]ccc(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000596184233 506298152 /nfs/dbraw/zinc/29/81/52/506298152.db2.gz RXSIXUCYBTYVSA-CYBMUJFWSA-N 0 1 372.429 3.245 20 5 FGBDMN O=c1[nH]ccc(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1[N+](=O)[O-] ZINC000596184233 506298160 /nfs/dbraw/zinc/29/81/60/506298160.db2.gz RXSIXUCYBTYVSA-CYBMUJFWSA-N 0 1 372.429 3.245 20 5 FGBDMN COC(=O)COc1ccc(CN(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000475556668 502211920 /nfs/dbraw/zinc/21/19/20/502211920.db2.gz WHLFEZDZSFELPB-UHFFFAOYSA-N 0 1 370.405 3.311 20 5 FGBDMN CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475605565 502226222 /nfs/dbraw/zinc/22/62/22/502226222.db2.gz UROFSNKCAGIQKR-UHFFFAOYSA-N 0 1 364.785 3.495 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000468933747 502235008 /nfs/dbraw/zinc/23/50/08/502235008.db2.gz LGLISMBYCQQNBL-UHFFFAOYSA-N 0 1 374.321 3.006 20 5 FGBDMN COC(=O)COc1ccc(CN2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475703646 502258136 /nfs/dbraw/zinc/25/81/36/502258136.db2.gz XGGQMWYKNUNJHZ-UHFFFAOYSA-N 0 1 350.415 3.015 20 5 FGBDMN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000469105769 502300260 /nfs/dbraw/zinc/30/02/60/502300260.db2.gz XBIBHZYFICUZGB-IUODEOHRSA-N 0 1 373.413 3.304 20 5 FGBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000475823972 502300976 /nfs/dbraw/zinc/30/09/76/502300976.db2.gz BECRGQYCNRUNKY-UHFFFAOYSA-N 0 1 353.356 3.144 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC=CCC1 ZINC000462337062 502398484 /nfs/dbraw/zinc/39/84/84/502398484.db2.gz RXAGTKHJZPYWAP-SECBINFHSA-N 0 1 351.211 3.289 20 5 FGBDMN CC(C)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])c(O)c(=O)c1 ZINC000596222889 506317954 /nfs/dbraw/zinc/31/79/54/506317954.db2.gz OGEFFILFSONEAL-UHFFFAOYSA-N 0 1 356.422 3.459 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000487575637 502482836 /nfs/dbraw/zinc/48/28/36/502482836.db2.gz RASSPMMKWPLVQG-ZYHUDNBSSA-N 0 1 360.418 3.095 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000476557987 502524071 /nfs/dbraw/zinc/52/40/71/502524071.db2.gz DDTHSSYGLWJETA-STQMWFEESA-N 0 1 356.426 3.424 20 5 FGBDMN CNc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000462906016 502621780 /nfs/dbraw/zinc/62/17/80/502621780.db2.gz JNMAVVYHEHMHFE-HNNXBMFYSA-N 0 1 374.466 3.265 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462951407 502639909 /nfs/dbraw/zinc/63/99/09/502639909.db2.gz ZQOMUOKJUFITAV-DZGCQCFKSA-N 0 1 357.385 3.498 20 5 FGBDMN CN(Cc1nnc[nH]1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000480753847 502662184 /nfs/dbraw/zinc/66/21/84/502662184.db2.gz JCZBJRBVJVLKMI-UHFFFAOYSA-N 0 1 368.353 3.169 20 5 FGBDMN CCOc1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000504899633 502820903 /nfs/dbraw/zinc/82/09/03/502820903.db2.gz JNUTZPNXQLXQRH-AWEZNQCLSA-N 0 1 363.458 3.435 20 5 FGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505353852 502892994 /nfs/dbraw/zinc/89/29/94/502892994.db2.gz RXEMGCNTWGIUIB-LLVKDONJSA-N 0 1 370.340 3.116 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 ZINC000506110025 503049451 /nfs/dbraw/zinc/04/94/51/503049451.db2.gz PGOHHEFHZGEEEL-UHFFFAOYSA-N 0 1 363.167 3.266 20 5 FGBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000593034098 506349387 /nfs/dbraw/zinc/34/93/87/506349387.db2.gz HKGIEICSOQRFFW-QGZVFWFLSA-N 0 1 369.396 3.288 20 5 FGBDMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000510316781 503091164 /nfs/dbraw/zinc/09/11/64/503091164.db2.gz ZCBKOGFBCHQNQM-UHFFFAOYSA-N 0 1 366.312 3.253 20 5 FGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000501864474 503096655 /nfs/dbraw/zinc/09/66/55/503096655.db2.gz UVCSLAYTHNTZMK-LSDHHAIUSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000501864474 503096661 /nfs/dbraw/zinc/09/66/61/503096661.db2.gz UVCSLAYTHNTZMK-LSDHHAIUSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@@H]1COC[C@@H](c2ccccc2)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000502011198 503127168 /nfs/dbraw/zinc/12/71/68/503127168.db2.gz WRAUHPILRWPWAL-PXAZEXFGSA-N 0 1 366.377 3.073 20 5 FGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000514644392 503156292 /nfs/dbraw/zinc/15/62/92/503156292.db2.gz TXYKBXDOISTYPA-UHFFFAOYSA-N 0 1 361.423 3.386 20 5 FGBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000506719161 503160590 /nfs/dbraw/zinc/16/05/90/503160590.db2.gz PSBVNROFCQPLST-SNVBAGLBSA-N 0 1 350.758 3.151 20 5 FGBDMN Cc1ccccc1-c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)n1 ZINC000506762551 503167557 /nfs/dbraw/zinc/16/75/57/503167557.db2.gz SCIMAWZFLPWPGI-UHFFFAOYSA-N 0 1 352.350 3.262 20 5 FGBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(CC)CC ZINC000507283320 503268612 /nfs/dbraw/zinc/26/86/12/503268612.db2.gz QPOMJQPMTAGAFX-HZPDHXFCSA-N 0 1 350.415 3.356 20 5 FGBDMN Cc1ccc2nc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000511580385 503347537 /nfs/dbraw/zinc/34/75/37/503347537.db2.gz MXBXCCQYMGQEAH-UHFFFAOYSA-N 0 1 367.409 3.164 20 5 FGBDMN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000515631179 503376508 /nfs/dbraw/zinc/37/65/08/503376508.db2.gz WAPJZJUZJUFLEM-UHFFFAOYSA-N 0 1 366.395 3.111 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)ccc1[N+](=O)[O-] ZINC000499504207 503420125 /nfs/dbraw/zinc/42/01/25/503420125.db2.gz JFIOCOHQFZRIKR-UHFFFAOYSA-N 0 1 366.370 3.421 20 5 FGBDMN CCO[C@H]1C[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C12CCOCC2 ZINC000503521659 503428201 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MGUUDFXSAQUMDP-KRWDZBQOSA-N 0 1 360.385 3.138 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159113041 495661840 /nfs/dbraw/zinc/66/18/40/495661840.db2.gz MACKNNVWRVJSIL-KXBFYZLASA-N 0 1 355.438 3.253 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(CCC)CCc2cccs2)c1[N+](=O)[O-] ZINC000185653795 495664435 /nfs/dbraw/zinc/66/44/35/495664435.db2.gz RERTZIHKHLSJFT-UHFFFAOYSA-N 0 1 350.444 3.427 20 5 FGBDMN C[C@@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000182936850 495765355 /nfs/dbraw/zinc/76/53/55/495765355.db2.gz ZHQFRWRBHXGHEJ-SNVBAGLBSA-N 0 1 374.347 3.212 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000155070372 495823281 /nfs/dbraw/zinc/82/32/81/495823281.db2.gz LHIIIZNZURRHFS-UHFFFAOYSA-N 0 1 368.393 3.173 20 5 FGBDMN Cn1cccc1[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174398695 495941483 /nfs/dbraw/zinc/94/14/83/495941483.db2.gz RSKQFBMBVITVBT-MRXNPFEDSA-N 0 1 353.382 3.177 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000171677965 495986005 /nfs/dbraw/zinc/98/60/05/495986005.db2.gz PTQVNXQATPALRD-UHFFFAOYSA-N 0 1 372.425 3.181 20 5 FGBDMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180457269 496002961 /nfs/dbraw/zinc/00/29/61/496002961.db2.gz SIHWDLUICCXVKN-CQSZACIVSA-N 0 1 370.409 3.211 20 5 FGBDMN CCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180456613 496003392 /nfs/dbraw/zinc/00/33/92/496003392.db2.gz ILPHFBYZAAXUFV-ZDUSSCGKSA-N 0 1 371.393 3.061 20 5 FGBDMN CSc1cccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000186647080 496088508 /nfs/dbraw/zinc/08/85/08/496088508.db2.gz PUUJHQHSUWQNOV-UHFFFAOYSA-N 0 1 356.407 3.431 20 5 FGBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000156054931 496145301 /nfs/dbraw/zinc/14/53/01/496145301.db2.gz FVOLCOJNJAMDLT-GOSISDBHSA-N 0 1 372.425 3.336 20 5 FGBDMN CCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180819452 496158856 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OXECYMIFPISCSH-UHFFFAOYSA-N 0 1 357.410 3.071 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@H]2C2CCCC2)cc1 ZINC000182223080 496712629 /nfs/dbraw/zinc/71/26/29/496712629.db2.gz CAABLLJYIPCYGZ-KRWDZBQOSA-N 0 1 352.456 3.023 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000194942611 496768996 /nfs/dbraw/zinc/76/89/96/496768996.db2.gz QZCLIPLAAYKMHJ-OAHLLOKOSA-N 0 1 368.437 3.254 20 5 FGBDMN COc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1NC(C)=O ZINC000268809237 496791840 /nfs/dbraw/zinc/79/18/40/496791840.db2.gz IOGVMIDWJMBTQV-GFCCVEGCSA-N 0 1 373.409 3.421 20 5 FGBDMN Cc1cnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000277500613 496793499 /nfs/dbraw/zinc/79/34/99/496793499.db2.gz AUGJCFUILVXRTA-SNVBAGLBSA-N 0 1 355.320 3.424 20 5 FGBDMN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCc2cn[nH]c21 ZINC000268889183 496815509 /nfs/dbraw/zinc/81/55/09/496815509.db2.gz NOHMBPZDIOLRHX-JTQLQIEISA-N 0 1 367.312 3.118 20 5 FGBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277603783 496826945 /nfs/dbraw/zinc/82/69/45/496826945.db2.gz AAFACDLGYGXKTQ-AWEZNQCLSA-N 0 1 361.445 3.308 20 5 FGBDMN CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191665778 496850774 /nfs/dbraw/zinc/85/07/74/496850774.db2.gz PXJXIAPXAGCWPZ-KRWDZBQOSA-N 0 1 369.849 3.060 20 5 FGBDMN O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269302267 496915388 /nfs/dbraw/zinc/91/53/88/496915388.db2.gz UYHPGAHFRKREBO-UHFFFAOYSA-N 0 1 373.434 3.102 20 5 FGBDMN COc1ccccc1C[C@@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269495764 496959973 /nfs/dbraw/zinc/95/99/73/496959973.db2.gz MGUBSFQHPMBGIX-GFCCVEGCSA-N 0 1 360.414 3.153 20 5 FGBDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC000189287690 497070163 /nfs/dbraw/zinc/07/01/63/497070163.db2.gz JHSFRRGQHTUYAH-UHFFFAOYSA-N 0 1 360.313 3.430 20 5 FGBDMN Cn1ccnc1[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313515 497071138 /nfs/dbraw/zinc/07/11/38/497071138.db2.gz FJARDTYWZWRWKJ-RBUKOAKNSA-N 0 1 369.469 3.024 20 5 FGBDMN O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000189558573 497163197 /nfs/dbraw/zinc/16/31/97/497163197.db2.gz DCENQYRVFOWEOH-UHFFFAOYSA-N 0 1 366.780 3.352 20 5 FGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000275037251 497224173 /nfs/dbraw/zinc/22/41/73/497224173.db2.gz XFOSPAFNHQSDTP-CQSZACIVSA-N 0 1 355.442 3.463 20 5 FGBDMN Cn1cc(CNCc2cccc3c2OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237771402 497290851 /nfs/dbraw/zinc/29/08/51/497290851.db2.gz GDPJQXQYSQPZON-UHFFFAOYSA-N 0 1 366.377 3.014 20 5 FGBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C1)CCCC2 ZINC000275454108 497331335 /nfs/dbraw/zinc/33/13/35/497331335.db2.gz WIFCNHRWXOCFBX-CQSZACIVSA-N 0 1 372.400 3.205 20 5 FGBDMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271619527 497401124 /nfs/dbraw/zinc/40/11/24/497401124.db2.gz MKJGUHPHQGDDEH-WFASDCNBSA-N 0 1 362.455 3.319 20 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497676140 /nfs/dbraw/zinc/67/61/40/497676140.db2.gz XKEFVEOIKYLWST-RYUDHWBXSA-N 0 1 373.375 3.464 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000276878866 497677752 /nfs/dbraw/zinc/67/77/52/497677752.db2.gz IFIKBPUKADUSSU-VHSXEESVSA-N 0 1 365.821 3.300 20 5 FGBDMN COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000272880598 497751472 /nfs/dbraw/zinc/75/14/72/497751472.db2.gz WPLVZTGCQBSYIV-HNNXBMFYSA-N 0 1 374.397 3.155 20 5 FGBDMN Cc1c(CN[C@@H](CO)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000273079879 497795756 /nfs/dbraw/zinc/79/57/56/497795756.db2.gz HHFIGBLSLPISGT-HNNXBMFYSA-N 0 1 365.227 3.489 20 5 FGBDMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364328357 497902175 /nfs/dbraw/zinc/90/21/75/497902175.db2.gz MUMKFKJRAKRASM-KRWDZBQOSA-N 0 1 366.425 3.327 20 5 FGBDMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340552 497908350 /nfs/dbraw/zinc/90/83/50/497908350.db2.gz RZTGHHBETUKPSS-OAHLLOKOSA-N 0 1 360.462 3.197 20 5 FGBDMN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000301058073 497933421 /nfs/dbraw/zinc/93/34/21/497933421.db2.gz ANXSXCPOQFYUDH-UHFFFAOYSA-N 0 1 372.381 3.121 20 5 FGBDMN CSC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415246 498007383 /nfs/dbraw/zinc/00/73/83/498007383.db2.gz MJDJOSVBYQCCQB-UONOGXRCSA-N 0 1 351.472 3.305 20 5 FGBDMN Cc1ccn2c(c1)nnc2C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364617854 498053688 /nfs/dbraw/zinc/05/36/88/498053688.db2.gz VXDXPRBCVAPQIR-UHFFFAOYSA-N 0 1 351.410 3.326 20 5 FGBDMN COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000301452077 498115657 /nfs/dbraw/zinc/11/56/57/498115657.db2.gz UKIHPQKDUPNNCM-ZIAGYGMSSA-N 0 1 351.447 3.041 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000296664857 498143325 /nfs/dbraw/zinc/14/33/25/498143325.db2.gz FXTKERNLBTVTOK-STQMWFEESA-N 0 1 372.381 3.489 20 5 FGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000296672460 498147277 /nfs/dbraw/zinc/14/72/77/498147277.db2.gz HBTICWOEPSAZPE-NWDGAFQWSA-N 0 1 357.366 3.001 20 5 FGBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000330548832 498150477 /nfs/dbraw/zinc/15/04/77/498150477.db2.gz WCGBTHHDUYHECW-UHFFFAOYSA-N 0 1 354.762 3.104 20 5 FGBDMN Cc1cc([C@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3F)C2)n[nH]1 ZINC000296680844 498151130 /nfs/dbraw/zinc/15/11/30/498151130.db2.gz IPDPGZWXECDHOC-LBPRGKRZSA-N 0 1 361.377 3.485 20 5 FGBDMN O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nnc[nH]2)ccc1Br ZINC000296684147 498151988 /nfs/dbraw/zinc/15/19/88/498151988.db2.gz LOGHBXNYAPFTHV-LBPRGKRZSA-N 0 1 366.219 3.203 20 5 FGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000296690812 498155305 /nfs/dbraw/zinc/15/53/05/498155305.db2.gz JTNPJYJJGUJXBI-QWHCGFSZSA-N 0 1 359.451 3.280 20 5 FGBDMN O=C(CN[C@H](c1ccccc1)C1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000292831388 498163301 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FGBDMN Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000301858300 498296885 /nfs/dbraw/zinc/29/68/85/498296885.db2.gz ZZXXOTXWLKTOSN-AWEZNQCLSA-N 0 1 350.382 3.425 20 5 FGBDMN Cc1n[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000360870731 498317642 /nfs/dbraw/zinc/31/76/42/498317642.db2.gz GSXCHYCBIDGQFH-UHFFFAOYSA-N 0 1 369.347 3.420 20 5 FGBDMN CCc1cc(N[C@@H](C)c2n[nH]c(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286201317 498323197 /nfs/dbraw/zinc/32/31/97/498323197.db2.gz ASLVYSKDSATNRV-JTQLQIEISA-N 0 1 353.386 3.214 20 5 FGBDMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569785227 506016005 /nfs/dbraw/zinc/01/60/05/506016005.db2.gz CPTFMHVFNZFJEW-QGZVFWFLSA-N 0 1 367.449 3.433 20 5 FGBDMN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331601943 498390136 /nfs/dbraw/zinc/39/01/36/498390136.db2.gz UTYYSKXAMVBSQG-QGZVFWFLSA-N 0 1 356.378 3.293 20 5 FGBDMN COc1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293715808 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O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000462880256 502612272 /nfs/dbraw/zinc/61/22/72/502612272.db2.gz WLEZBVHDWXHSOV-CYBMUJFWSA-N 0 1 352.337 3.304 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000582616979 506327665 /nfs/dbraw/zinc/32/76/65/506327665.db2.gz KSQCKJWDPKOKRC-WBVHZDCISA-N 0 1 362.426 3.459 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000484716186 502718533 /nfs/dbraw/zinc/71/85/33/502718533.db2.gz PHCNABBYIVHOAZ-LZWOXQAQSA-N 0 1 366.458 3.089 20 5 FGBDMN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1 ZINC000477331786 502744602 /nfs/dbraw/zinc/74/46/02/502744602.db2.gz JIGXUEDNPIXOBQ-UHFFFAOYSA-N 0 1 368.437 3.031 20 5 FGBDMN COCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[C@@H](C)C1 ZINC000484897006 502767683 /nfs/dbraw/zinc/76/76/83/502767683.db2.gz ZVCOJDMPETUMCQ-CZUORRHYSA-N 0 1 360.414 3.282 20 5 FGBDMN O=C(NCCSCc1ccccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505784575 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365.437 3.097 20 5 FGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000506504753 503127842 /nfs/dbraw/zinc/12/78/42/503127842.db2.gz XOAZHRVMZPLMTL-LLVKDONJSA-N 0 1 353.334 3.446 20 5 FGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cncc(Br)c1 ZINC000511059301 503243769 /nfs/dbraw/zinc/24/37/69/503243769.db2.gz LLEQYOZYIWDUNO-UHFFFAOYSA-N 0 1 350.216 3.427 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000507365884 503286046 /nfs/dbraw/zinc/28/60/46/503286046.db2.gz ZSUATSNRXIEZQJ-UHFFFAOYSA-N 0 1 374.418 3.066 20 5 FGBDMN CCN(CCNc1cc(OC)c(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491572796 503319734 /nfs/dbraw/zinc/31/97/34/503319734.db2.gz OXYZPDSMZXVXCP-UHFFFAOYSA-N 0 1 353.316 3.429 20 5 FGBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000491834749 503332507 /nfs/dbraw/zinc/33/25/07/503332507.db2.gz ZUALJCFXDYWAMG-UHFFFAOYSA-N 0 1 365.411 3.195 20 5 FGBDMN CCCNC(=O)C1(NCc2ccc([N+](=O)[O-])c(OCC)c2)CCCCC1 ZINC000492721031 503382078 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507528449 /nfs/dbraw/zinc/52/84/49/507528449.db2.gz QMWDSANVBZJHRG-INIZCTEOSA-N 0 1 355.394 3.191 20 5 FGBDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000585755403 507616902 /nfs/dbraw/zinc/61/69/02/507616902.db2.gz PQYIVPSBICXGSE-UKRRQHHQSA-N 0 1 360.385 3.244 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H](C)O)cc1OC ZINC000595767565 507675951 /nfs/dbraw/zinc/67/59/51/507675951.db2.gz YQNVVSUHOARATF-IIAWOOMASA-N 0 1 366.458 3.374 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([C@H]4CCCCO4)C3)n2)cc1 ZINC000595785295 507683528 /nfs/dbraw/zinc/68/35/28/507683528.db2.gz DDUUIENKIZQURL-NVXWUHKLSA-N 0 1 372.425 3.426 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]([C@@H]4CCCCO4)C3)o2)cc1 ZINC000595791896 507687815 /nfs/dbraw/zinc/68/78/15/507687815.db2.gz XWQVDTYXLPYOFL-WBVHZDCISA-N 0 1 372.425 3.426 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]([C@H]4CCCCO4)C3)o2)cc1 ZINC000595791894 507688735 /nfs/dbraw/zinc/68/87/35/507688735.db2.gz XWQVDTYXLPYOFL-NVXWUHKLSA-N 0 1 372.425 3.426 20 5 FGBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(-c2ccncc2)c1 ZINC000587803151 507716996 /nfs/dbraw/zinc/71/69/96/507716996.db2.gz USEDMAZRHHVGDV-UHFFFAOYSA-N 0 1 353.338 3.014 20 5 FGBDMN Cc1cc(N2CCCc3[nH]ncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596004366 507756141 /nfs/dbraw/zinc/75/61/41/507756141.db2.gz YVMVTSJPYNMTHH-UHFFFAOYSA-N 0 1 350.382 3.036 20 5 FGBDMN O=C([O-])C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000739793777 599866396 /nfs/dbraw/zinc/86/63/96/599866396.db2.gz PMZSQGRJENIFCW-UHFFFAOYSA-N 0 1 350.321 3.002 20 5 FGBDMN C[C@H](C[N@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736584921 600685931 /nfs/dbraw/zinc/68/59/31/600685931.db2.gz ZBXOPGGNZQAXQS-CQSZACIVSA-N 0 1 368.393 3.125 20 5 FGBDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000740514706 602378031 /nfs/dbraw/zinc/37/80/31/602378031.db2.gz DWYVKYWNDOGATB-IUODEOHRSA-N 0 1 351.378 3.088 20 5 FGBDMN CC(C)C[N@H+]1CCC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885924 604798841 /nfs/dbraw/zinc/79/88/41/604798841.db2.gz MARJFEDMVAUNTP-IQIBNGDESA-N 0 1 361.442 3.473 20 5 FGBDMN CCOc1ccc([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825632113 608493168 /nfs/dbraw/zinc/49/31/68/608493168.db2.gz LJKMJEFQRINFNC-LBPRGKRZSA-N 0 1 368.397 3.024 20 5 FGBDMN Cc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119519928 700631646 /nfs/dbraw/zinc/63/16/46/700631646.db2.gz DKNCOKGBYFIKKC-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2ccc(OCC(C)C)nc2)cc1[N+](=O)[O-] ZINC000523976844 714262346 /nfs/dbraw/zinc/26/23/46/714262346.db2.gz DLLXGQRIBOEQIJ-UHFFFAOYSA-N 0 1 365.411 3.134 20 5 FGBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc(Br)cn3)no2)c1 ZINC000618399582 714744781 /nfs/dbraw/zinc/74/47/81/714744781.db2.gz QNBATYXOIHRILV-UHFFFAOYSA-N 0 1 363.127 3.175 20 5 FGBDMN C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000725823912 722423783 /nfs/dbraw/zinc/42/37/83/722423783.db2.gz HWBQKYLUERHLON-BXKDBHETSA-N 0 1 370.814 3.443 20 5 FGBDMN C[C@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000741024523 722541504 /nfs/dbraw/zinc/54/15/04/722541504.db2.gz WMTRXASCHPRGKB-RBSFLKMASA-N 0 1 350.415 3.168 20 5 FGBDMN Cc1cc(F)c(S(=O)(=O)Nc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000759105178 722999571 /nfs/dbraw/zinc/99/95/71/722999571.db2.gz DCBKRMCKVQBEGE-UHFFFAOYSA-N 0 1 361.354 3.391 20 5 FGBDMN O=C(Nc1c[nH]nn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000789926509 723085396 /nfs/dbraw/zinc/08/53/96/723085396.db2.gz BDTKDJQIXJXUMW-UHFFFAOYSA-N 0 1 359.729 3.411 20 5 FGBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1nnnn1C1CC1 ZINC000790749738 723173537 /nfs/dbraw/zinc/17/35/37/723173537.db2.gz HNVHADILBWIALI-VXGBXAGGSA-N 0 1 362.459 3.138 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc2cncn2c1 ZINC000790905940 723192127 /nfs/dbraw/zinc/19/21/27/723192127.db2.gz MPHODXYQSLBNMC-UHFFFAOYSA-N 0 1 361.155 3.257 20 5 FGBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000764682481 723436847 /nfs/dbraw/zinc/43/68/47/723436847.db2.gz HLPCZSCRZBPGHV-UHFFFAOYSA-N 0 1 362.411 3.413 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000795803892 723610323 /nfs/dbraw/zinc/61/03/23/723610323.db2.gz TWSSGSUWEOAELC-JTQLQIEISA-N 0 1 370.789 3.006 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000770017761 723703422 /nfs/dbraw/zinc/70/34/22/723703422.db2.gz VBBZENXCGBWXLY-QMMMGPOBSA-N 0 1 352.782 3.372 20 5 FGBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-n2cnnn2)c1 ZINC000773041950 723775062 /nfs/dbraw/zinc/77/50/62/723775062.db2.gz ULNWRKFGRBOVOW-LLVKDONJSA-N 0 1 358.789 3.075 20 5 FGBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3Br)C2)n[nH]1 ZINC000798395868 723928957 /nfs/dbraw/zinc/92/89/57/723928957.db2.gz NQPKROBBQBQWDW-SNVBAGLBSA-N 0 1 366.219 3.168 20 5 FGBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3Br)C2)[nH]1 ZINC000798395868 723928960 /nfs/dbraw/zinc/92/89/60/723928960.db2.gz NQPKROBBQBQWDW-SNVBAGLBSA-N 0 1 366.219 3.168 20 5 FGBDMN Cc1ccccc1[C@H](CO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000776232067 724121780 /nfs/dbraw/zinc/12/17/80/724121780.db2.gz OOCBISAYHRCIGJ-HNNXBMFYSA-N 0 1 365.227 3.489 20 5 FGBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805260053 725060057 /nfs/dbraw/zinc/06/00/57/725060057.db2.gz YOEITNDWOBTRBW-UHFFFAOYSA-N 0 1 353.737 3.411 20 5 FGBDMN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000808251232 725189853 /nfs/dbraw/zinc/18/98/53/725189853.db2.gz GQJOIIVXEBFTJO-SECBINFHSA-N 0 1 359.773 3.143 20 5 FGBDMN O=C(NCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccs1 ZINC000811474842 725368191 /nfs/dbraw/zinc/36/81/91/725368191.db2.gz SQFUUUOCBVUWIC-UHFFFAOYSA-N 0 1 374.249 3.483 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCCC(F)(F)F ZINC000815022521 727021015 /nfs/dbraw/zinc/02/10/15/727021015.db2.gz PYDZIGUOWDTKPZ-UHFFFAOYSA-N 0 1 364.704 3.008 20 5 FGBDMN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)(C(F)(F)F)CC1 ZINC000821653313 729104503 /nfs/dbraw/zinc/10/45/03/729104503.db2.gz XCZCEKYNSLHAOZ-UHFFFAOYSA-N 0 1 359.348 3.050 20 5 FGBDMN CC(C)(CCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)[N+](=O)[O-] ZINC000822495399 729182097 /nfs/dbraw/zinc/18/20/97/729182097.db2.gz HHYHVHZEFIFFGF-MRXNPFEDSA-N 0 1 367.877 3.429 20 5 FGBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823629229 729294167 /nfs/dbraw/zinc/29/41/67/729294167.db2.gz LJWUBQSMKCZCEG-KZNAEPCWSA-N 0 1 362.813 3.090 20 5 FGBDMN O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000828894012 729449389 /nfs/dbraw/zinc/44/93/89/729449389.db2.gz QGLVHNNJBIGEOP-IUODEOHRSA-N 0 1 367.833 3.078 20 5 FGBDMN O=C(CN1CCC[C@@H]1[C@@H]1CCCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000828894012 729449390 /nfs/dbraw/zinc/44/93/90/729449390.db2.gz QGLVHNNJBIGEOP-IUODEOHRSA-N 0 1 367.833 3.078 20 5 FGBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)cnc2Cl)n1 ZINC000834834358 729837897 /nfs/dbraw/zinc/83/78/97/729837897.db2.gz BPIKLZHMHIHMOH-STQMWFEESA-N 0 1 353.785 3.252 20 5 FGBDMN CO[C@@H](C)c1nc(C)c(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000837562735 730042072 /nfs/dbraw/zinc/04/20/72/730042072.db2.gz SNJYVCQFYQMWBJ-VIFPVBQESA-N 0 1 352.368 3.130 20 5 FGBDMN O=C(Oc1cc(Br)ccc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841173622 730219645 /nfs/dbraw/zinc/21/96/45/730219645.db2.gz LRUDADHDAYHBHX-HTRCEHHLSA-N 0 1 354.078 3.039 20 5 FGBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000842933173 730559582 /nfs/dbraw/zinc/55/95/82/730559582.db2.gz CXHVAZKWFLRIGI-KOLCDFICSA-N 0 1 357.204 3.042 20 5 FGBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000842933173 730559587 /nfs/dbraw/zinc/55/95/87/730559587.db2.gz CXHVAZKWFLRIGI-KOLCDFICSA-N 0 1 357.204 3.042 20 5 FGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848924082 731221070 /nfs/dbraw/zinc/22/10/70/731221070.db2.gz NETAEPOZLPPKFE-NSHDSACASA-N 0 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ZINC000180714768 496115508 /nfs/dbraw/zinc/11/55/08/496115508.db2.gz WCMQAFNXDPQPQH-UHFFFAOYSA-N 0 1 361.423 3.120 20 5 FGBDMN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000161378698 496163255 /nfs/dbraw/zinc/16/32/55/496163255.db2.gz CKTDSMFONYFJOB-OLZOCXBDSA-N 0 1 369.406 3.492 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162565834 496374294 /nfs/dbraw/zinc/37/42/94/496374294.db2.gz UCUYSVQHIRMIHI-CYBMUJFWSA-N 0 1 370.413 3.310 20 5 FGBDMN C[C@@H](C(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184741590 496515903 /nfs/dbraw/zinc/51/59/03/496515903.db2.gz BSNWWWGARLWGNA-ABAIWWIYSA-N 0 1 365.430 3.318 20 5 FGBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000178678271 496538203 /nfs/dbraw/zinc/53/82/03/496538203.db2.gz KMKKMTQLXCMODS-LBPRGKRZSA-N 0 1 360.439 3.007 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000178687570 496540136 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FGBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000158398330 496693472 /nfs/dbraw/zinc/69/34/72/496693472.db2.gz PGAUZOLOXCVAJX-DGCLKSJQSA-N 0 1 359.348 3.107 20 5 FGBDMN CCC1(CC)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1OC ZINC000191374095 496741740 /nfs/dbraw/zinc/74/17/40/496741740.db2.gz AYCQBUWQTLJGET-CABCVRRESA-N 0 1 360.414 3.328 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3sccc32)cc1 ZINC000273442666 496807237 /nfs/dbraw/zinc/80/72/37/496807237.db2.gz NFBZKQHGIFWWJP-OAHLLOKOSA-N 0 1 366.464 3.097 20 5 FGBDMN Cc1cc(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)[nH]n1 ZINC000273540788 496834995 /nfs/dbraw/zinc/83/49/95/496834995.db2.gz SZULJYMJBLGJIC-UHFFFAOYSA-N 0 1 366.219 3.168 20 5 FGBDMN Cc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000195691743 496961033 /nfs/dbraw/zinc/96/10/33/496961033.db2.gz OJHHUBIDDPYFPT-UHFFFAOYSA-N 0 1 367.449 3.470 20 5 FGBDMN C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189038397 496987361 /nfs/dbraw/zinc/98/73/61/496987361.db2.gz MREVJXRILKVDKJ-SCLBCKFNSA-N 0 1 357.385 3.186 20 5 FGBDMN CC[C@H]1c2ccsc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374966 496987475 /nfs/dbraw/zinc/98/74/75/496987475.db2.gz VHMFLWOMNQMARV-HIFRSBDPSA-N 0 1 362.451 3.405 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189053248 496992097 /nfs/dbraw/zinc/99/20/97/496992097.db2.gz HSTCZWUJKLXYIW-KBXCAEBGSA-N 0 1 371.412 3.494 20 5 FGBDMN C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000248438160 497011718 /nfs/dbraw/zinc/01/17/18/497011718.db2.gz BSNZXBKMAJXPHE-INMHGKMJSA-N 0 1 360.410 3.401 20 5 FGBDMN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000248438160 497011721 /nfs/dbraw/zinc/01/17/21/497011721.db2.gz BSNZXBKMAJXPHE-INMHGKMJSA-N 0 1 360.410 3.401 20 5 FGBDMN Cc1cnc(C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000278272490 497058744 /nfs/dbraw/zinc/05/87/44/497058744.db2.gz WCXZYGJGNONCQF-UHFFFAOYSA-N 0 1 371.422 3.256 20 5 FGBDMN O=C1[C@H](N[C@H]2CCCc3c(O)cccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192368820 497091689 /nfs/dbraw/zinc/09/16/89/497091689.db2.gz KQFXPVCFSOQOPD-ZWKOTPCHSA-N 0 1 367.405 3.073 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000278636303 497175573 /nfs/dbraw/zinc/17/55/73/497175573.db2.gz QEXFQOIQWOSBCU-LBPRGKRZSA-N 0 1 374.397 3.131 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC4(CCOCC4)C3)n2)cc1 ZINC000265985577 497224842 /nfs/dbraw/zinc/22/48/42/497224842.db2.gz CRFGHIMHMDNCRH-UHFFFAOYSA-N 0 1 358.398 3.037 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC4(CCOCC4)C3)n2)cc1 ZINC000265985577 497224845 /nfs/dbraw/zinc/22/48/45/497224845.db2.gz CRFGHIMHMDNCRH-UHFFFAOYSA-N 0 1 358.398 3.037 20 5 FGBDMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000192872430 497234682 /nfs/dbraw/zinc/23/46/82/497234682.db2.gz IGMKSBKJLHUSER-CHWSQXEVSA-N 0 1 370.409 3.231 20 5 FGBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000270993802 497241109 /nfs/dbraw/zinc/24/11/09/497241109.db2.gz FECJLBCHPMRAEE-MRVPVSSYSA-N 0 1 371.319 3.346 20 5 FGBDMN CCc1[nH]nc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1[N+](=O)[O-] ZINC000192936700 497252728 /nfs/dbraw/zinc/25/27/28/497252728.db2.gz QENHBCNQFYUTMJ-UHFFFAOYSA-N 0 1 370.331 3.475 20 5 FGBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1CC(F)(F)F ZINC000193036074 497282324 /nfs/dbraw/zinc/28/23/24/497282324.db2.gz DMANOCPEGKIJBL-HUUCEWRRSA-N 0 1 371.359 3.115 20 5 FGBDMN Cc1sc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000275310064 497283665 /nfs/dbraw/zinc/28/36/65/497283665.db2.gz NRIGCNOYQBLWLF-CYBMUJFWSA-N 0 1 374.466 3.436 20 5 FGBDMN Cc1cccc(NC(=O)C[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000574994424 505900866 /nfs/dbraw/zinc/90/08/66/505900866.db2.gz BPWHRWIPGPLKAX-ZDUSSCGKSA-N 0 1 367.409 3.286 20 5 FGBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000275572369 497369093 /nfs/dbraw/zinc/36/90/93/497369093.db2.gz OMYSPWGENKOUOT-GJZGRUSLSA-N 0 1 350.806 3.084 20 5 FGBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275623138 497386055 /nfs/dbraw/zinc/38/60/55/497386055.db2.gz IPYKRHHFYSSRAU-XCLFUZPHSA-N 0 1 361.445 3.306 20 5 FGBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261918228 497476364 /nfs/dbraw/zinc/47/63/64/497476364.db2.gz YKCPSWLMQGHCPW-CYBMUJFWSA-N 0 1 351.815 3.096 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272256152 497579155 /nfs/dbraw/zinc/57/91/55/497579155.db2.gz PQVHMRMHWFSIIX-ZDUSSCGKSA-N 0 1 373.413 3.373 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(CC)cc3)C2)c1[N+](=O)[O-] ZINC000190892090 497635277 /nfs/dbraw/zinc/63/52/77/497635277.db2.gz BUAQQSXMAVHSIZ-MRXNPFEDSA-N 0 1 372.425 3.047 20 5 FGBDMN CC(=O)N(Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C(C)C ZINC000272556466 497661581 /nfs/dbraw/zinc/66/15/81/497661581.db2.gz QCRPGTDLTCCYLJ-UHFFFAOYSA-N 0 1 371.393 3.310 20 5 FGBDMN COC(=O)CC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000280251123 497697064 /nfs/dbraw/zinc/69/70/64/497697064.db2.gz BYRUFEVWYQLNKS-UHFFFAOYSA-N 0 1 359.382 3.215 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000277069525 497732696 /nfs/dbraw/zinc/73/26/96/497732696.db2.gz NGMISBZFHBFZGC-IUCAKERBSA-N 0 1 351.794 3.371 20 5 FGBDMN CSc1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000194660632 497732984 /nfs/dbraw/zinc/73/29/84/497732984.db2.gz CGASQLZRJJIFST-UHFFFAOYSA-N 0 1 360.363 3.396 20 5 FGBDMN C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)N1[C@H](C)CC[C@H]1C ZINC000246545541 497769597 /nfs/dbraw/zinc/76/95/97/497769597.db2.gz XWULIFDNCSIUOT-JHJVBQTASA-N 0 1 357.414 3.185 20 5 FGBDMN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000364243441 497857843 /nfs/dbraw/zinc/85/78/43/497857843.db2.gz XDQUTGCIWQVYNQ-SFHVURJKSA-N 0 1 357.410 3.469 20 5 FGBDMN CCC[C@]1(CO)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000288948154 497954867 /nfs/dbraw/zinc/95/48/67/497954867.db2.gz XFVKLBRQPYBMDC-UGSOOPFHSA-N 0 1 360.414 3.190 20 5 FGBDMN NC(=O)c1ccc(CN[C@@H](c2cccnc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000364525473 498002946 /nfs/dbraw/zinc/00/29/46/498002946.db2.gz WCDWIIBJFZRITP-LJQANCHMSA-N 0 1 368.437 3.500 20 5 FGBDMN C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000581344745 505965745 /nfs/dbraw/zinc/96/57/45/505965745.db2.gz YZRPJLOXKCOIKZ-UGSOOPFHSA-N 0 1 359.401 3.257 20 5 FGBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n1)OC2 ZINC000350389553 498093247 /nfs/dbraw/zinc/09/32/47/498093247.db2.gz LJSXRANTTQYEBU-YJBOKZPZSA-N 0 1 369.381 3.052 20 5 FGBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+](C2CC2)C1 ZINC000296666789 498144589 /nfs/dbraw/zinc/14/45/89/498144589.db2.gz GFGVTEMZZCLTQG-AWEZNQCLSA-N 0 1 356.426 3.166 20 5 FGBDMN COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000301685231 498223363 /nfs/dbraw/zinc/22/33/63/498223363.db2.gz WRDQNNBQRJLOEW-OAHLLOKOSA-N 0 1 372.425 3.002 20 5 FGBDMN Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000286208447 498324381 /nfs/dbraw/zinc/32/43/81/498324381.db2.gz CFSFQHSRRXFFOH-SMDDNHRTSA-N 0 1 369.343 3.449 20 5 FGBDMN COc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000293706697 498461831 /nfs/dbraw/zinc/46/18/31/498461831.db2.gz LPLDLBBAAMHIQU-NSHDSACASA-N 0 1 361.398 3.054 20 5 FGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCC(F)(F)C1 ZINC000282322794 498466988 /nfs/dbraw/zinc/46/69/88/498466988.db2.gz WBHNOBZVKHTPLL-JTQLQIEISA-N 0 1 351.313 3.144 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000572750483 506043316 /nfs/dbraw/zinc/04/33/16/506043316.db2.gz ZBTNITZEWRIEIA-KRWDZBQOSA-N 0 1 359.813 3.343 20 5 FGBDMN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1[N+](=O)[O-] ZINC000282404653 498497459 /nfs/dbraw/zinc/49/74/59/498497459.db2.gz FNGDAVRLCYLOSS-QDMKHBRRSA-N 0 1 354.410 3.431 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000282704158 498619359 /nfs/dbraw/zinc/61/93/59/498619359.db2.gz BBXUPIYQHGKNAO-WDEREUQCSA-N 0 1 361.402 3.116 20 5 FGBDMN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365754982 498625883 /nfs/dbraw/zinc/62/58/83/498625883.db2.gz VIGGBINPWAYHOX-MSOLQXFVSA-N 0 1 365.433 3.189 20 5 FGBDMN Cc1cccnc1NC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365766402 498632071 /nfs/dbraw/zinc/63/20/71/498632071.db2.gz VFHWPHDCSOGLRV-INIZCTEOSA-N 0 1 354.410 3.149 20 5 FGBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000366198336 498821164 /nfs/dbraw/zinc/82/11/64/498821164.db2.gz DNMGPGSTXNWEGS-MRXNPFEDSA-N 0 1 351.366 3.152 20 5 FGBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000326753185 498848283 /nfs/dbraw/zinc/84/82/83/498848283.db2.gz LUUCUQYQWHRFKE-CQSZACIVSA-N 0 1 352.387 3.472 20 5 FGBDMN Cc1ccc2nc([C@H]3CCCN(c4ncc([N+](=O)[O-])c(C)n4)C3)[nH]c2c1 ZINC000295141211 498924122 /nfs/dbraw/zinc/92/41/22/498924122.db2.gz ZNWUCJFOEGNRFH-ZDUSSCGKSA-N 0 1 352.398 3.262 20 5 FGBDMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000363693634 498947031 /nfs/dbraw/zinc/94/70/31/498947031.db2.gz AQJFHXDMKOTMAR-WMLDXEAASA-N 0 1 364.833 3.070 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC3(CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000283907255 499010729 /nfs/dbraw/zinc/01/07/29/499010729.db2.gz ACPYWVHDLXTCQV-OAHLLOKOSA-N 0 1 361.442 3.123 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364127526 499121003 /nfs/dbraw/zinc/12/10/03/499121003.db2.gz ODQAVDHTSJATFA-MRXNPFEDSA-N 0 1 366.381 3.241 20 5 FGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000364130980 499121175 /nfs/dbraw/zinc/12/11/75/499121175.db2.gz YKIKXTXEDKDLGS-AWEZNQCLSA-N 0 1 369.400 3.231 20 5 FGBDMN CCOC(=O)c1cnn(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000367150970 499154575 /nfs/dbraw/zinc/15/45/75/499154575.db2.gz KXKMANDVRHKBOH-UHFFFAOYSA-N 0 1 372.425 3.114 20 5 FGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370588450 499233954 /nfs/dbraw/zinc/23/39/54/499233954.db2.gz LSNXUNLAOJGUIP-CQSZACIVSA-N 0 1 354.410 3.402 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC3(CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000368814482 499335417 /nfs/dbraw/zinc/33/54/17/499335417.db2.gz SITLRIINZOGJPU-HUUCEWRRSA-N 0 1 361.442 3.121 20 5 FGBDMN COCCn1ncc2c1[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000371845484 499371068 /nfs/dbraw/zinc/37/10/68/499371068.db2.gz DYALQDSQIRSFMP-YOEHRIQHSA-N 0 1 358.442 3.474 20 5 FGBDMN O=C(CCN1CC=C(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369267569 499385817 /nfs/dbraw/zinc/38/58/17/499385817.db2.gz QUNBAKHEELOLAU-UHFFFAOYSA-N 0 1 370.384 3.247 20 5 FGBDMN CCOCc1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000372275894 499415697 /nfs/dbraw/zinc/41/56/97/499415697.db2.gz YNISSHMADOBJPW-KRWDZBQOSA-N 0 1 374.441 3.174 20 5 FGBDMN C[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369567037 499418867 /nfs/dbraw/zinc/41/88/67/499418867.db2.gz GFUNKDFOSIAHGZ-KSSFIOAISA-N 0 1 359.451 3.008 20 5 FGBDMN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000373746202 499486115 /nfs/dbraw/zinc/48/61/15/499486115.db2.gz NPWLSEBSFZGOIA-HNNXBMFYSA-N 0 1 368.397 3.055 20 5 FGBDMN COc1ccc(C(=O)Nc2cccc3c2CN(C2CC2)C3)cc1[N+](=O)[O-] ZINC000378526773 499528185 /nfs/dbraw/zinc/52/81/85/499528185.db2.gz QYEYKBDUJPDTTJ-UHFFFAOYSA-N 0 1 353.378 3.334 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000375691103 499545864 /nfs/dbraw/zinc/54/58/64/499545864.db2.gz VUNTWRMRSLPHLQ-AEFFLSMTSA-N 0 1 371.393 3.101 20 5 FGBDMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000375896418 499566035 /nfs/dbraw/zinc/56/60/35/499566035.db2.gz WQZHFZDGDWFFCH-LBPRGKRZSA-N 0 1 366.377 3.286 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000376115790 499584134 /nfs/dbraw/zinc/58/41/34/499584134.db2.gz PIDVYDJZPVKQBF-QGZVFWFLSA-N 0 1 358.401 3.212 20 5 FGBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000410642986 499672210 /nfs/dbraw/zinc/67/22/10/499672210.db2.gz ZKAXQQIKIIUUNF-MNOVXSKESA-N 0 1 359.348 3.168 20 5 FGBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c(Cl)c1 ZINC000377800877 499735995 /nfs/dbraw/zinc/73/59/95/499735995.db2.gz OIEOFINQFCOVEN-AWEZNQCLSA-N 0 1 361.833 3.362 20 5 FGBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCc2cn[nH]c21 ZINC000378180794 499762358 /nfs/dbraw/zinc/76/23/58/499762358.db2.gz BARDOCXXPDWKRU-KRWDZBQOSA-N 0 1 372.428 3.072 20 5 FGBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)c(F)c1 ZINC000412011619 499812777 /nfs/dbraw/zinc/81/27/77/499812777.db2.gz PAAOFYCQCIHOFC-IBGZPJMESA-N 0 1 374.412 3.354 20 5 FGBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)n[nH]1 ZINC000413548609 499987889 /nfs/dbraw/zinc/98/78/89/499987889.db2.gz IIIDJQUQYAWJNQ-CYBMUJFWSA-N 0 1 368.372 3.216 20 5 FGBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)[nH]1 ZINC000413548609 499987894 /nfs/dbraw/zinc/98/78/94/499987894.db2.gz IIIDJQUQYAWJNQ-CYBMUJFWSA-N 0 1 368.372 3.216 20 5 FGBDMN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140197 500011848 /nfs/dbraw/zinc/01/18/48/500011848.db2.gz IMTDAUXWEXJVMG-AWEZNQCLSA-N 0 1 355.394 3.207 20 5 FGBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000416591219 500068697 /nfs/dbraw/zinc/06/86/97/500068697.db2.gz CAVMWJBMEVDVGO-SSDOTTSWSA-N 0 1 360.741 3.115 20 5 FGBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](n3ccnn3)C2)o1 ZINC000425345848 500080327 /nfs/dbraw/zinc/08/03/27/500080327.db2.gz FJHPHEVAEUHNMM-CQSZACIVSA-N 0 1 353.382 3.283 20 5 FGBDMN Cc1cnccc1OC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000429727110 500133584 /nfs/dbraw/zinc/13/35/84/500133584.db2.gz UBVKILRWJRURFP-UHFFFAOYSA-N 0 1 357.410 3.220 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(CC)CCOc2ccccc2C)c1[N+](=O)[O-] ZINC000421958814 500184858 /nfs/dbraw/zinc/18/48/58/500184858.db2.gz CFYGGFBXNMZWCX-UHFFFAOYSA-N 0 1 360.414 3.120 20 5 FGBDMN Cc1ccnc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000579489448 506187523 /nfs/dbraw/zinc/18/75/23/506187523.db2.gz UIYCPYHQBDMMPJ-CQSZACIVSA-N 0 1 355.394 3.154 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000431571987 500393811 /nfs/dbraw/zinc/39/38/11/500393811.db2.gz UPMPPOOGYCGICO-AWEZNQCLSA-N 0 1 364.398 3.206 20 5 FGBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc2cccnc21 ZINC000427660607 500417911 /nfs/dbraw/zinc/41/79/11/500417911.db2.gz URNXQJCXWDYPLU-UHFFFAOYSA-N 0 1 373.390 3.261 20 5 FGBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000427910777 500444753 /nfs/dbraw/zinc/44/47/53/500444753.db2.gz YKLQYDGNIPXQJB-VIFPVBQESA-N 0 1 352.293 3.393 20 5 FGBDMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000428017258 500458431 /nfs/dbraw/zinc/45/84/31/500458431.db2.gz ZMIFRVASOITGCX-OAHLLOKOSA-N 0 1 373.384 3.147 20 5 FGBDMN Cc1cc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Br ZINC000428133218 500472964 /nfs/dbraw/zinc/47/29/64/500472964.db2.gz XRZCABAQSFMFJW-UHFFFAOYSA-N 0 1 367.203 3.054 20 5 FGBDMN CCOc1cc([N+](=O)[O-])c(-c2nc(C3(N)CCCCC3)no2)cc1OC ZINC000424341198 500489016 /nfs/dbraw/zinc/48/90/16/500489016.db2.gz IRGMNHCXZJFKAK-UHFFFAOYSA-N 0 1 362.386 3.170 20 5 FGBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000436971011 500582933 /nfs/dbraw/zinc/58/29/33/500582933.db2.gz HEAHRNKZWBYAHD-HOCLYGCPSA-N 0 1 369.421 3.083 20 5 FGBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccn(-c3ccccc3)n2)n1 ZINC000447563655 500624920 /nfs/dbraw/zinc/62/49/20/500624920.db2.gz RIOAWYRLENKETR-ZWKOTPCHSA-N 0 1 366.425 3.251 20 5 FGBDMN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979017 500775127 /nfs/dbraw/zinc/77/51/27/500775127.db2.gz AFXWEMGTHZWFHC-UKRRQHHQSA-N 0 1 371.441 3.007 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[C@@H](F)C1 ZINC000588139295 506216983 /nfs/dbraw/zinc/21/69/83/506216983.db2.gz ZVQFDNXFBPNTOT-SFYZADRCSA-N 0 1 357.190 3.071 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1[N+](=O)[O-] ZINC000434251350 500816655 /nfs/dbraw/zinc/81/66/55/500816655.db2.gz VXJFDMZHJYFBJJ-VIFPVBQESA-N 0 1 364.352 3.479 20 5 FGBDMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434892570 500908384 /nfs/dbraw/zinc/90/83/84/500908384.db2.gz SRIRSVMOKQGLNI-HNAYVOBHSA-N 0 1 365.433 3.362 20 5 FGBDMN CC(C)(C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(N)=O ZINC000449414575 500998163 /nfs/dbraw/zinc/99/81/63/500998163.db2.gz WLVKQYZTELOFBQ-GFCCVEGCSA-N 0 1 353.850 3.362 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CC(F)F)CC1CCC1 ZINC000450474317 501130305 /nfs/dbraw/zinc/13/03/05/501130305.db2.gz PYIIKLYDDVOHFS-UHFFFAOYSA-N 0 1 364.352 3.492 20 5 FGBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1 ZINC000436661123 501181742 /nfs/dbraw/zinc/18/17/42/501181742.db2.gz XBQAOLYVLDGXQV-UHFFFAOYSA-N 0 1 374.349 3.163 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]1C1CCOCC1 ZINC000450668851 501182462 /nfs/dbraw/zinc/18/24/62/501182462.db2.gz OIZGBDLSYQZKSK-GOSISDBHSA-N 0 1 370.409 3.016 20 5 FGBDMN Cc1ccc(NC(=O)[C@H](N[C@@H](C)[C@H](C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000450732502 501196344 /nfs/dbraw/zinc/19/63/44/501196344.db2.gz ICFJBUBQHBRYHO-ZRGWGRIASA-N 0 1 371.437 3.190 20 5 FGBDMN Cc1ccc(NC(=O)[C@H](N[C@H](C)[C@H](C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000450732500 501196495 /nfs/dbraw/zinc/19/64/95/501196495.db2.gz ICFJBUBQHBRYHO-SPYBWZPUSA-N 0 1 371.437 3.190 20 5 FGBDMN COc1cc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1OC ZINC000447056940 501198000 /nfs/dbraw/zinc/19/80/00/501198000.db2.gz AQDKNZIOMDLWEU-UHFFFAOYSA-N 0 1 362.430 3.265 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@]3(CCO)CCOC3)o2)c(Cl)c1 ZINC000447063083 501198862 /nfs/dbraw/zinc/19/88/62/501198862.db2.gz IEDDMFDIQNQDGT-QGZVFWFLSA-N 0 1 366.801 3.139 20 5 FGBDMN O=[N+]([O-])c1ccc2c(ccnc2NCCN2CCc3sccc3C2)c1 ZINC000450270622 501222850 /nfs/dbraw/zinc/22/28/50/501222850.db2.gz SQZSPZCLUBEOAT-UHFFFAOYSA-N 0 1 354.435 3.097 20 5 FGBDMN C[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451105386 501246122 /nfs/dbraw/zinc/24/61/22/501246122.db2.gz MQMSUXNHRISRAW-HNNXBMFYSA-N 0 1 353.422 3.093 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN3C3CC3)n2)c2c1NCCC2 ZINC000453238614 501296841 /nfs/dbraw/zinc/29/68/41/501296841.db2.gz OOAJMFRAMMXRFG-OAHLLOKOSA-N 0 1 355.398 3.302 20 5 FGBDMN Cn1ccnc1[C@H](NC[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453399625 501325195 /nfs/dbraw/zinc/32/51/95/501325195.db2.gz APOZZCFXPJAWLE-WMLDXEAASA-N 0 1 358.442 3.213 20 5 FGBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451575682 501328694 /nfs/dbraw/zinc/32/86/94/501328694.db2.gz YHUWUIBWSYTVDV-ZDUSSCGKSA-N 0 1 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COC(=O)c1c(Cl)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596157322 506285103 /nfs/dbraw/zinc/28/51/03/506285103.db2.gz YFFANKOTKYIOFO-ZJUUUORDSA-N 0 1 353.806 3.072 20 5 FGBDMN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478593363 502027397 /nfs/dbraw/zinc/02/73/97/502027397.db2.gz LDGAGEJDRQFLEX-UHFFFAOYSA-N 0 1 370.340 3.245 20 5 FGBDMN CC(C)(C(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000482483082 502083481 /nfs/dbraw/zinc/08/34/81/502083481.db2.gz XGBOPRVLOZFGLP-UHFFFAOYSA-N 0 1 356.357 3.204 20 5 FGBDMN COc1cc(CNCc2c(C)c3ccccc3n2C)c([N+](=O)[O-])cc1O ZINC000475194609 502096109 /nfs/dbraw/zinc/09/61/09/502096109.db2.gz GIJBSMIOMUQXJP-UHFFFAOYSA-N 0 1 355.394 3.399 20 5 FGBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000479076251 502156764 /nfs/dbraw/zinc/15/67/64/502156764.db2.gz CSXCVBDVIGZYIB-UHFFFAOYSA-N 0 1 366.381 3.140 20 5 FGBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000479076251 502156768 /nfs/dbraw/zinc/15/67/68/502156768.db2.gz CSXCVBDVIGZYIB-UHFFFAOYSA-N 0 1 366.381 3.140 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000468791534 502185349 /nfs/dbraw/zinc/18/53/49/502185349.db2.gz CCSGZYBNRJGTDW-UHFFFAOYSA-N 0 1 354.409 3.126 20 5 FGBDMN COc1ccc(CN2CCC(O)(Cc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000475517820 502201323 /nfs/dbraw/zinc/20/13/23/502201323.db2.gz VUVKXPHKMRZVJI-UHFFFAOYSA-N 0 1 370.449 3.481 20 5 FGBDMN Cc1ccc2nc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH]c2c1 ZINC000465188749 502210815 /nfs/dbraw/zinc/21/08/15/502210815.db2.gz VXPQIIZLFRRDJE-UHFFFAOYSA-N 0 1 350.334 3.456 20 5 FGBDMN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475584741 502219683 /nfs/dbraw/zinc/21/96/83/502219683.db2.gz TUFLMYLESDYBNA-KRWDZBQOSA-N 0 1 370.405 3.484 20 5 FGBDMN COc1cc(CN2CCC(O)(Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000482958073 502227926 /nfs/dbraw/zinc/22/79/26/502227926.db2.gz YUTWCAYZOVVIFB-UHFFFAOYSA-N 0 1 370.449 3.481 20 5 FGBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC2(CCCC2)O1 ZINC000592904094 506302459 /nfs/dbraw/zinc/30/24/59/506302459.db2.gz LVBIFUXUOUZBFD-CYBMUJFWSA-N 0 1 370.409 3.159 20 5 FGBDMN CC1(C)C[C@@H](NCC(=O)N2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000479548833 502294222 /nfs/dbraw/zinc/29/42/22/502294222.db2.gz DWGYWCKWPSGTNT-LJQANCHMSA-N 0 1 365.433 3.449 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1c2ccccc2C(=O)N1C ZINC000599073671 506310037 /nfs/dbraw/zinc/31/00/37/506310037.db2.gz GZJOSLNTBPZNCI-SJCJKPOMSA-N 0 1 355.394 3.081 20 5 FGBDMN Cc1ccc(C(C)(C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000487791214 502530184 /nfs/dbraw/zinc/53/01/84/502530184.db2.gz MLUIECMVBSOJJB-UHFFFAOYSA-N 0 1 352.394 3.487 20 5 FGBDMN COc1ccc(-c2cc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000473357673 502571128 /nfs/dbraw/zinc/57/11/28/502571128.db2.gz WFLQBOIJEYODHI-UHFFFAOYSA-N 0 1 356.313 3.385 20 5 FGBDMN CCC[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1CCOC ZINC000473507114 502614887 /nfs/dbraw/zinc/61/48/87/502614887.db2.gz JMCWRZHEFQTUCN-INIZCTEOSA-N 0 1 358.442 3.080 20 5 FGBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000602842247 506324515 /nfs/dbraw/zinc/32/45/15/506324515.db2.gz RDHJZZLKBNCKTP-SNVBAGLBSA-N 0 1 362.821 3.322 20 5 FGBDMN CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000488220738 502662800 /nfs/dbraw/zinc/66/28/00/502662800.db2.gz PPQUFKYSRZPAOQ-SNVBAGLBSA-N 0 1 357.197 3.376 20 5 FGBDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000488472974 502724552 /nfs/dbraw/zinc/72/45/52/502724552.db2.gz VTVQQRAVYDOLBU-RWMBFGLXSA-N 0 1 374.445 3.294 20 5 FGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470316975 502734293 /nfs/dbraw/zinc/73/42/93/502734293.db2.gz HHEKRVJGGWEWEJ-UHFFFAOYSA-N 0 1 369.425 3.229 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000484797916 502742275 /nfs/dbraw/zinc/74/22/75/502742275.db2.gz QHOUVLVKMOTFIC-BDAKNGLRSA-N 0 1 372.390 3.303 20 5 FGBDMN COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[C@@H](C)C1 ZINC000484884227 502765309 /nfs/dbraw/zinc/76/53/09/502765309.db2.gz RWSCNHYCTPMACL-UKRRQHHQSA-N 0 1 360.414 3.282 20 5 FGBDMN COCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[C@@H](C)C1 ZINC000484884227 502765314 /nfs/dbraw/zinc/76/53/14/502765314.db2.gz RWSCNHYCTPMACL-UKRRQHHQSA-N 0 1 360.414 3.282 20 5 FGBDMN COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000481148688 502765870 /nfs/dbraw/zinc/76/58/70/502765870.db2.gz WIHOMNXCQFYYPH-AWEZNQCLSA-N 0 1 358.394 3.340 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000488750399 502802412 /nfs/dbraw/zinc/80/24/12/502802412.db2.gz UDOROZLIKJYNRJ-SOUVJXGZSA-N 0 1 366.458 3.231 20 5 FGBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000500791745 502864764 /nfs/dbraw/zinc/86/47/64/502864764.db2.gz QKWSSOKFZZVEBS-MRXNPFEDSA-N 0 1 354.366 3.304 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000489085913 502876733 /nfs/dbraw/zinc/87/67/33/502876733.db2.gz ANIKJSKWYFQUHG-GJZGRUSLSA-N 0 1 372.425 3.198 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000489234921 502907096 /nfs/dbraw/zinc/90/70/96/502907096.db2.gz QGKCCCGQGZOVGH-UWVGGRQHSA-N 0 1 357.370 3.464 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(SC)ccc2[N+](=O)[O-])n[nH]1 ZINC000489253544 502911499 /nfs/dbraw/zinc/91/14/99/502911499.db2.gz MCBVLEHVNAEFDE-UWVGGRQHSA-N 0 1 363.443 3.439 20 5 FGBDMN CCCCN1CCCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497558250 502987594 /nfs/dbraw/zinc/98/75/94/502987594.db2.gz MJTNDOSVBBIIQO-AWEZNQCLSA-N 0 1 369.487 3.065 20 5 FGBDMN CSCC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000489803913 503038895 /nfs/dbraw/zinc/03/88/95/503038895.db2.gz VGKXKHINIYPZTM-JKSUJKDBSA-N 0 1 365.499 3.117 20 5 FGBDMN CC(C)COc1ccc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506336859 503096370 /nfs/dbraw/zinc/09/63/70/503096370.db2.gz GDCRYMGHHFJENE-UHFFFAOYSA-N 0 1 358.394 3.308 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)COCC2CC2)c2ccccc2)c1 ZINC000490178555 503124703 /nfs/dbraw/zinc/12/47/03/503124703.db2.gz ODDBPXBNPWOVGN-WOJBJXKFSA-N 0 1 356.422 3.061 20 5 FGBDMN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506501398 503127189 /nfs/dbraw/zinc/12/71/89/503127189.db2.gz CITKNSYNWBWHHL-RISCZKNCSA-N 0 1 350.733 3.379 20 5 FGBDMN COC(=O)c1c(Cl)c(NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163648 506354345 /nfs/dbraw/zinc/35/43/45/506354345.db2.gz GIVFRKAMJNCZQK-LBPRGKRZSA-N 0 1 367.833 3.464 20 5 FGBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cncc2ccccc21 ZINC000490366949 503162953 /nfs/dbraw/zinc/16/29/53/503162953.db2.gz MTXVUEYBZWSYCT-UHFFFAOYSA-N 0 1 360.333 3.180 20 5 FGBDMN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000510731457 503180915 /nfs/dbraw/zinc/18/09/15/503180915.db2.gz FPZZICPTNLMUJB-UHFFFAOYSA-N 0 1 373.818 3.067 20 5 FGBDMN CCN1C[C@@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498548620 503206120 /nfs/dbraw/zinc/20/61/20/503206120.db2.gz BTGASIUUQUMWSB-QWHCGFSZSA-N 0 1 374.466 3.273 20 5 FGBDMN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507085538 503227299 /nfs/dbraw/zinc/22/72/99/503227299.db2.gz LXNJMXRAEJUGMF-UHFFFAOYSA-N 0 1 352.306 3.135 20 5 FGBDMN C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000507279934 503267849 /nfs/dbraw/zinc/26/78/49/503267849.db2.gz KQQPFPTZTGYTCD-RHSMWYFYSA-N 0 1 369.421 3.083 20 5 FGBDMN Cc1cc(Oc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000507316678 503275747 /nfs/dbraw/zinc/27/57/47/503275747.db2.gz VCBKJMAHWZHHGH-UHFFFAOYSA-N 0 1 354.322 3.377 20 5 FGBDMN C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nnc[nH]1 ZINC000491979565 503342362 /nfs/dbraw/zinc/34/23/62/503342362.db2.gz PLRKTHLFINDHNC-NSHDSACASA-N 0 1 368.353 3.388 20 5 FGBDMN CCOc1cc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000492772214 503384304 /nfs/dbraw/zinc/38/43/04/503384304.db2.gz NTEGEMHXNAPBKE-GFCCVEGCSA-N 0 1 371.393 3.175 20 5 FGBDMN Cc1c([C@@H](C)NCc2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000540175612 503697356 /nfs/dbraw/zinc/69/73/56/503697356.db2.gz JALYONAMUKJLJG-CYBMUJFWSA-N 0 1 363.439 3.126 20 5 FGBDMN Cc1c([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)cccc1[N+](=O)[O-] ZINC000536849937 503741044 /nfs/dbraw/zinc/74/10/44/503741044.db2.gz DWMVYVIFEIJWSV-CYBMUJFWSA-N 0 1 360.435 3.084 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000546498719 503767831 /nfs/dbraw/zinc/76/78/31/503767831.db2.gz SIGQFQWINOYCAT-UHFFFAOYSA-N 0 1 362.349 3.329 20 5 FGBDMN CCN(CCc1cccs1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000533260762 503782285 /nfs/dbraw/zinc/78/22/85/503782285.db2.gz TVPVTJHIRFAZSZ-UHFFFAOYSA-N 0 1 363.439 3.168 20 5 FGBDMN Cc1ccccc1[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533401475 503831631 /nfs/dbraw/zinc/83/16/31/503831631.db2.gz QXKMOYJKVJEJCB-OXJNMPFZSA-N 0 1 365.433 3.498 20 5 FGBDMN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000543641707 503838463 /nfs/dbraw/zinc/83/84/63/503838463.db2.gz KQXNGCLIXLHJAJ-UHFFFAOYSA-N 0 1 364.352 3.127 20 5 FGBDMN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000546817151 503889740 /nfs/dbraw/zinc/88/97/40/503889740.db2.gz UDVQHXWWQINFTA-QGZVFWFLSA-N 0 1 369.421 3.037 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC(C)(C)O)cc1OC ZINC000541059057 503990582 /nfs/dbraw/zinc/99/05/82/503990582.db2.gz BSQDCUMASQJFRV-ZDUSSCGKSA-N 0 1 354.447 3.231 20 5 FGBDMN CCc1cnccc1[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541194550 504038588 /nfs/dbraw/zinc/03/85/88/504038588.db2.gz RHYKGYRROUPKBR-LLVKDONJSA-N 0 1 362.817 3.495 20 5 FGBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000537821795 504053876 /nfs/dbraw/zinc/05/38/76/504053876.db2.gz WVQUHBMUJXJOLO-BTDLBPIBSA-N 0 1 372.356 3.116 20 5 FGBDMN O=[N+]([O-])c1cccc(N2CCN(CCCOCc3ccccc3)CC2)c1 ZINC000544409567 504123125 /nfs/dbraw/zinc/12/31/25/504123125.db2.gz CGKKBNKTZWMDIN-UHFFFAOYSA-N 0 1 355.438 3.324 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000519183720 504160638 /nfs/dbraw/zinc/16/06/38/504160638.db2.gz VVUOMGMLVQGBHZ-RHSMWYFYSA-N 0 1 362.426 3.459 20 5 FGBDMN CN(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000531306111 504259282 /nfs/dbraw/zinc/25/92/82/504259282.db2.gz ATYOATUEIFCYAJ-CYBMUJFWSA-N 0 1 353.831 3.342 20 5 FGBDMN Cc1ccccc1[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000531428530 504302263 /nfs/dbraw/zinc/30/22/63/504302263.db2.gz QZIDVHGWDNEJPO-HNNXBMFYSA-N 0 1 363.439 3.364 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000542017203 504337588 /nfs/dbraw/zinc/33/75/88/504337588.db2.gz RYILDMMWKSFZES-MRXNPFEDSA-N 0 1 359.382 3.223 20 5 FGBDMN CCc1ccc([C@H](NC[C@@]2(O)CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473949 504504581 /nfs/dbraw/zinc/50/45/81/504504581.db2.gz VOJRHVMQEYHMLQ-MSOLQXFVSA-N 0 1 362.451 3.297 20 5 FGBDMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH]n1 ZINC000545554118 504525009 /nfs/dbraw/zinc/52/50/09/504525009.db2.gz YAWBBNNJOWHVPB-UHFFFAOYSA-N 0 1 365.353 3.052 20 5 FGBDMN COCC(=O)Nc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000532200237 504570864 /nfs/dbraw/zinc/57/08/64/504570864.db2.gz GDATWAQBLFYUTQ-AWEZNQCLSA-N 0 1 357.410 3.339 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000521257542 504695961 /nfs/dbraw/zinc/69/59/61/504695961.db2.gz LUXPDEMMIITHJR-CQSZACIVSA-N 0 1 358.394 3.326 20 5 FGBDMN CCOc1cc(N2CCN(CCSC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000549172684 504712007 /nfs/dbraw/zinc/71/20/07/504712007.db2.gz HPRHBTFRESGGEL-UHFFFAOYSA-N 0 1 353.488 3.257 20 5 FGBDMN CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000546109770 504712973 /nfs/dbraw/zinc/71/29/73/504712973.db2.gz RXQZEAXIKGEJMZ-LJQANCHMSA-N 0 1 367.449 3.260 20 5 FGBDMN CN(Cc1ccccc1)C1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000565320787 504853325 /nfs/dbraw/zinc/85/33/25/504853325.db2.gz HPIHUJNCXUHRDL-UHFFFAOYSA-N 0 1 359.813 3.205 20 5 FGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000562580028 504866084 /nfs/dbraw/zinc/86/60/84/504866084.db2.gz MRRXYASLXHUBBV-HFQYIWAZSA-N 0 1 371.441 3.327 20 5 FGBDMN CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)N(C)Cc1ccccc1 ZINC000549750164 504887836 /nfs/dbraw/zinc/88/78/36/504887836.db2.gz RFHFIYRUKDSSRP-GOSISDBHSA-N 0 1 353.422 3.395 20 5 FGBDMN COc1cc(CNc2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c1O ZINC000565550203 504919744 /nfs/dbraw/zinc/91/97/44/504919744.db2.gz VCQCAYOXLOTDQP-UHFFFAOYSA-N 0 1 356.382 3.274 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000549930943 504937688 /nfs/dbraw/zinc/93/76/88/504937688.db2.gz FVDLXNYIRJJODM-AWEZNQCLSA-N 0 1 356.300 3.142 20 5 FGBDMN COc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000554293249 505137790 /nfs/dbraw/zinc/13/77/90/505137790.db2.gz BNDXDIVLUMVZIU-OAHLLOKOSA-N 0 1 350.802 3.470 20 5 FGBDMN C[C@@H](Cc1ccccc1)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560623808 505147695 /nfs/dbraw/zinc/14/76/95/505147695.db2.gz VQRFNUVPXYSAIU-KRWDZBQOSA-N 0 1 367.449 3.231 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c1[N+](=O)[O-] ZINC000560930816 505212749 /nfs/dbraw/zinc/21/27/49/505212749.db2.gz HLUXSYDLYYVTQW-UHFFFAOYSA-N 0 1 356.426 3.338 20 5 FGBDMN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000563720666 505221076 /nfs/dbraw/zinc/22/10/76/505221076.db2.gz BONONCVBWKSWGG-GDIGMMSISA-N 0 1 370.405 3.382 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000566637921 505228513 /nfs/dbraw/zinc/22/85/13/505228513.db2.gz YWDINSXPFASOTC-UHFFFAOYSA-N 0 1 358.373 3.339 20 5 FGBDMN COc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OC ZINC000557808605 505235364 /nfs/dbraw/zinc/23/53/64/505235364.db2.gz WLTUMMQLDGEKLN-UHFFFAOYSA-N 0 1 356.338 3.049 20 5 FGBDMN Cc1ccccc1CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561107273 505252462 /nfs/dbraw/zinc/25/24/62/505252462.db2.gz LXJDAEHPCLIMLT-UHFFFAOYSA-N 0 1 369.450 3.230 20 5 FGBDMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000554889316 505291842 /nfs/dbraw/zinc/29/18/42/505291842.db2.gz MQOGUDBDPWQBNX-LBPRGKRZSA-N 0 1 358.398 3.076 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000558230311 505340191 /nfs/dbraw/zinc/34/01/91/505340191.db2.gz UEWFKSUPBGHTRM-UHFFFAOYSA-N 0 1 354.410 3.251 20 5 FGBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)Cc1ccccc1 ZINC000552071781 505390883 /nfs/dbraw/zinc/39/08/83/505390883.db2.gz BYSXWOFVZJIVGW-MRXNPFEDSA-N 0 1 366.364 3.232 20 5 FGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCn1cc(Br)cn1 ZINC000561796500 505439611 /nfs/dbraw/zinc/43/96/11/505439611.db2.gz CQCCHXKTCTXLKV-NSHDSACASA-N 0 1 353.220 3.247 20 5 FGBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000561805339 505441135 /nfs/dbraw/zinc/44/11/35/505441135.db2.gz UEDVVMRSVRZUAC-GHMZBOCLSA-N 0 1 359.348 3.168 20 5 FGBDMN CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000555547596 505452972 /nfs/dbraw/zinc/45/29/72/505452972.db2.gz NUVUWRZNHOLGFX-IBGZPJMESA-N 0 1 355.438 3.164 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1[N+](=O)[O-] ZINC000562217168 505542791 /nfs/dbraw/zinc/54/27/91/505542791.db2.gz KJHCMHLGQNFSLW-UHFFFAOYSA-N 0 1 358.398 3.255 20 5 FGBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000567786214 505563030 /nfs/dbraw/zinc/56/30/30/505563030.db2.gz OLAKZJBJCUUATI-UHFFFAOYSA-N 0 1 370.814 3.337 20 5 FGBDMN C[C@@H](CO)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000593085748 506384233 /nfs/dbraw/zinc/38/42/33/506384233.db2.gz WOCYUEDUPNVYQJ-QWHCGFSZSA-N 0 1 360.414 3.046 20 5 FGBDMN C[C@@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593204958 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OUKSBRGTLRZSOS-QWHCGFSZSA-N 0 1 358.316 3.156 20 5 FGBDMN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593853240 506804254 /nfs/dbraw/zinc/80/42/54/506804254.db2.gz XVOQIROAXVRIIF-CYBMUJFWSA-N 0 1 364.398 3.027 20 5 FGBDMN COC(=O)[C@H](C)CN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000609203561 506813837 /nfs/dbraw/zinc/81/38/37/506813837.db2.gz IMOLCBNSDZRWPH-CYBMUJFWSA-N 0 1 350.415 3.156 20 5 FGBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590443493 506823814 /nfs/dbraw/zinc/82/38/14/506823814.db2.gz DEYAOJMNAYFPLY-CJNGLKHVSA-N 0 1 363.483 3.263 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCc4n[nH]nc4C3)o2)c(Cl)c1 ZINC000597248637 506860613 /nfs/dbraw/zinc/86/06/13/506860613.db2.gz BRDQGZVZFKXHKT-UHFFFAOYSA-N 0 1 359.773 3.185 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476828 506893081 /nfs/dbraw/zinc/89/30/81/506893081.db2.gz COISEEUQWCVZLE-KBXCAEBGSA-N 0 1 372.425 3.120 20 5 FGBDMN 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352.460 3.020 20 5 FGBDMN CC[N@@H+](CCOc1ccccc1OC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595279687 507447036 /nfs/dbraw/zinc/44/70/36/507447036.db2.gz WQYNYZDORORYNU-UHFFFAOYSA-N 0 1 374.393 3.203 20 5 FGBDMN C[C@H](C(=O)NC[C@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510149 507467159 /nfs/dbraw/zinc/46/71/59/507467159.db2.gz NQVSFWHKBCRNTF-HNAYVOBHSA-N 0 1 353.422 3.089 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598572038 507493877 /nfs/dbraw/zinc/49/38/77/507493877.db2.gz JKZQHQGSEOOARJ-KRWDZBQOSA-N 0 1 363.377 3.234 20 5 FGBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611268172 507592935 /nfs/dbraw/zinc/59/29/35/507592935.db2.gz BMPOYOJWXCRPNN-MRXNPFEDSA-N 0 1 355.438 3.397 20 5 FGBDMN O=c1[nH]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)o1 ZINC000585701993 507598429 /nfs/dbraw/zinc/59/84/29/507598429.db2.gz SEYDLKSMRHTMDJ-MRVPVSSYSA-N 0 1 358.276 3.086 20 5 FGBDMN 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O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177669033 705634830 /nfs/dbraw/zinc/63/48/30/705634830.db2.gz BRIZOXAJMQMCMW-UHFFFAOYSA-N 0 1 362.748 3.236 20 5 FGBDMN Cc1nc([C@H]2CCCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000374566216 713931112 /nfs/dbraw/zinc/93/11/12/713931112.db2.gz NCJIWOKNBPAVRQ-GFCCVEGCSA-N 0 1 364.793 3.434 20 5 FGBDMN Cc1nc2c(s1)[C@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000374735442 713941889 /nfs/dbraw/zinc/94/18/89/713941889.db2.gz PMBBPTRMKZJITH-CYBMUJFWSA-N 0 1 357.395 3.043 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc1[N+](=O)[O-] ZINC000524853513 714305467 /nfs/dbraw/zinc/30/54/67/714305467.db2.gz QGYHAJBNQHUKMT-UHFFFAOYSA-N 0 1 362.407 3.493 20 5 FGBDMN O=C(NCCSCc1ccnc(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780724668 724495617 /nfs/dbraw/zinc/49/56/17/724495617.db2.gz MTFJSPXDKABZQY-UHFFFAOYSA-N 0 1 367.814 3.012 20 5 FGBDMN C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000725823914 722423730 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O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]2COCC[C@@H]21 ZINC000770287573 723710339 /nfs/dbraw/zinc/71/03/39/723710339.db2.gz ZMQGGENAGUCNEC-FZMZJTMJSA-N 0 1 355.232 3.358 20 5 FGBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000805257010 725060083 /nfs/dbraw/zinc/06/00/83/725060083.db2.gz NEKLXGFLMPHMDQ-UHFFFAOYSA-N 0 1 368.704 3.116 20 5 FGBDMN O=C(CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCCC1 ZINC000811474533 725368185 /nfs/dbraw/zinc/36/81/85/725368185.db2.gz KVAHTBFWWCPWLZ-UHFFFAOYSA-N 0 1 360.241 3.394 20 5 FGBDMN CCOC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811490599 725369148 /nfs/dbraw/zinc/36/91/48/725369148.db2.gz REAAJAJYOVLQPQ-LLVKDONJSA-N 0 1 362.213 3.222 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000823629456 729294135 /nfs/dbraw/zinc/29/41/35/729294135.db2.gz VZTUSPIIMPVAMM-KZNAEPCWSA-N 0 1 362.813 3.090 20 5 FGBDMN O=[N+]([O-])c1c(Cl)cccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000834378858 729798317 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FGBDMN COC(=O)C1=CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000862467653 732838748 /nfs/dbraw/zinc/83/87/48/732838748.db2.gz WPJVMKFOBMGSPT-CYBMUJFWSA-N 0 1 359.407 3.070 20 5 FGBDMN CSc1cc(C)ccc1CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867955214 733537948 /nfs/dbraw/zinc/53/79/48/733537948.db2.gz YDGNJRWAGPINKZ-SFHVURJKSA-N 0 1 359.451 3.115 20 5 FGBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[S@@](=O)CC(F)(F)F ZINC000872086274 735587030 /nfs/dbraw/zinc/58/70/30/735587030.db2.gz VZHIJIHVAXZZCA-XQHREBAHSA-N 0 1 370.418 3.278 20 5 FGBDMN O=[N+]([O-])c1sc(CNC[C@H](O)c2ccsc2)cc1Br ZINC000877047476 736180215 /nfs/dbraw/zinc/18/02/15/736180215.db2.gz AYNZNUHYBVGGFC-JTQLQIEISA-N 0 1 363.258 3.304 20 5 FGBDMN Cc1csc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000877813306 736726522 /nfs/dbraw/zinc/72/65/22/736726522.db2.gz KRCNCQPCHAWBOS-GFCCVEGCSA-N 0 1 361.423 3.216 20 5 FGBDMN Cc1ncc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000879252304 736973003 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ZINC000434344087 500828850 /nfs/dbraw/zinc/82/88/50/500828850.db2.gz YVZQZFCPZDOCSP-UHFFFAOYSA-N 0 1 354.769 3.335 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000439910875 500954496 /nfs/dbraw/zinc/95/44/96/500954496.db2.gz RSUGNTRWDKSDKU-UHFFFAOYSA-N 0 1 369.381 3.500 20 5 FGBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000449654911 501051400 /nfs/dbraw/zinc/05/14/00/501051400.db2.gz FXBODIUIAJAJTN-GZBFAFLISA-N 0 1 350.444 3.140 20 5 FGBDMN COc1ccc(OCCN(C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000441180548 501099449 /nfs/dbraw/zinc/09/94/49/501099449.db2.gz RHXHVBADBYRDDC-UHFFFAOYSA-N 0 1 352.337 3.392 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3cc(-n4ccnc4)cs3)nc2c1 ZINC000446834305 501171128 /nfs/dbraw/zinc/17/11/28/501171128.db2.gz GXWDVOWNLLDQNU-UHFFFAOYSA-N 0 1 354.395 3.008 20 5 FGBDMN COCC[C@@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000447072681 501201326 /nfs/dbraw/zinc/20/13/26/501201326.db2.gz MVIAASKUGVKLNK-QGZVFWFLSA-N 0 1 363.439 3.004 20 5 FGBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c(O)cc(Cl)cc1Cl ZINC000436756426 501204999 /nfs/dbraw/zinc/20/49/99/501204999.db2.gz QOHKUDUPXCGBEP-UHFFFAOYSA-N 0 1 370.192 3.449 20 5 FGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1O ZINC000436814128 501215308 /nfs/dbraw/zinc/21/53/08/501215308.db2.gz GWWLZLAUJLOKRQ-UHFFFAOYSA-N 0 1 358.247 3.388 20 5 FGBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000436872140 501225203 /nfs/dbraw/zinc/22/52/03/501225203.db2.gz SLXXNZZCZGGKOC-UHFFFAOYSA-N 0 1 355.350 3.330 20 5 FGBDMN CCc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451105841 501246187 /nfs/dbraw/zinc/24/61/87/501246187.db2.gz NTOASJZMDUOEGS-HNNXBMFYSA-N 0 1 355.438 3.466 20 5 FGBDMN COc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000451343893 501270515 /nfs/dbraw/zinc/27/05/15/501270515.db2.gz AAJDQYXIICTDLM-YSVLISHTSA-N 0 1 352.406 3.258 20 5 FGBDMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 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ZINC000788560062 725073045 /nfs/dbraw/zinc/07/30/45/725073045.db2.gz ARWREDXXLDCYHF-JTQLQIEISA-N 0 1 363.801 3.452 20 5 FGBDMN CC(C)(C)OC(=O)C1(NCc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000815075731 727032415 /nfs/dbraw/zinc/03/24/15/727032415.db2.gz KFECMHCKTJSQBB-UHFFFAOYSA-N 0 1 350.415 3.435 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000815207358 727052215 /nfs/dbraw/zinc/05/22/15/727052215.db2.gz CIJSPKWEIGZIEV-QZTJIDSGSA-N 0 1 362.813 3.435 20 5 FGBDMN Cc1cc(Cl)c(C(=O)OCc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000815407021 727070970 /nfs/dbraw/zinc/07/09/70/727070970.db2.gz DVUKJDMVEMEIQZ-UHFFFAOYSA-N 0 1 352.778 3.329 20 5 FGBDMN Cc1cc(Cl)c(C(=O)OCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000815407021 727070971 /nfs/dbraw/zinc/07/09/71/727070971.db2.gz DVUKJDMVEMEIQZ-UHFFFAOYSA-N 0 1 352.778 3.329 20 5 FGBDMN CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC000841195103 730222575 /nfs/dbraw/zinc/22/25/75/730222575.db2.gz CDEVIQHFLSQHGS-MWLCHTKSSA-N 0 1 356.762 3.258 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000846283288 730943337 /nfs/dbraw/zinc/94/33/37/730943337.db2.gz GGBIOPZHQNEFQG-CQSZACIVSA-N 0 1 350.415 3.316 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000849328294 731247908 /nfs/dbraw/zinc/24/79/08/731247908.db2.gz KPGJDRPRDZGPNW-CABCVRRESA-N 0 1 362.348 3.108 20 5 FGBDMN CCc1nc([C@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000849714800 731275507 /nfs/dbraw/zinc/27/55/07/731275507.db2.gz SEQAHHGHWZMLCK-IUCAKERBSA-N 0 1 368.777 3.000 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1COC2(CCCCC2)O1 ZINC000850447781 731358377 /nfs/dbraw/zinc/35/83/77/731358377.db2.gz KBKCVHBGGYMWIJ-HIFRSBDPSA-N 0 1 350.415 3.330 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1COC2(CCCCC2)O1 ZINC000850447780 731358506 /nfs/dbraw/zinc/35/85/06/731358506.db2.gz KBKCVHBGGYMWIJ-DZGCQCFKSA-N 0 1 350.415 3.330 20 5 FGBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)nc1Cl ZINC000856777665 732058946 /nfs/dbraw/zinc/05/89/46/732058946.db2.gz BAPNPUJWGUVLHP-QMMMGPOBSA-N 0 1 363.727 3.209 20 5 FGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[C@H](C2OCCO2)C1 ZINC000876678556 736130320 /nfs/dbraw/zinc/13/03/20/736130320.db2.gz NXXRHMMEMGDULB-LBPRGKRZSA-N 0 1 360.332 3.199 20 5 FGBDMN C[C@@H](NC[C@H]1CCC2(CCOCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000883264596 737543061 /nfs/dbraw/zinc/54/30/61/737543061.db2.gz FWCPMTDPOLSYHQ-ZIAGYGMSSA-N 0 1 352.406 3.360 20 5 FGBDMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901552217 743303887 /nfs/dbraw/zinc/30/38/87/743303887.db2.gz AGSNUBMKONHBQA-NSHDSACASA-N 0 1 358.341 3.273 20 5 FGBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901552217 743303896 /nfs/dbraw/zinc/30/38/96/743303896.db2.gz AGSNUBMKONHBQA-NSHDSACASA-N 0 1 358.341 3.273 20 5 FGBDMN C[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000903703074 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354.410 3.149 20 5 FGBDMN O=C(CN1CCC[C@@H]1Cc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025441626 494741415 /nfs/dbraw/zinc/74/14/15/494741415.db2.gz KZRUJYHJEOQNNQ-GOSISDBHSA-N 0 1 365.433 3.191 20 5 FGBDMN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCc2ccccc2C1 ZINC000025917193 494789267 /nfs/dbraw/zinc/78/92/67/494789267.db2.gz DOBUKKVHNIMMOF-INIZCTEOSA-N 0 1 357.410 3.001 20 5 FGBDMN Cc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2o1 ZINC000075581108 494799779 /nfs/dbraw/zinc/79/97/79/494799779.db2.gz ILFNCJFGHVYOFU-UHFFFAOYSA-N 0 1 361.379 3.462 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2sccc2C1 ZINC000026343781 494820133 /nfs/dbraw/zinc/82/01/33/494820133.db2.gz LWXQFMHAGIABSG-UHFFFAOYSA-N 0 1 361.423 3.052 20 5 FGBDMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000093613853 494905702 /nfs/dbraw/zinc/90/57/02/494905702.db2.gz DCHIWEBUIDQGTB-RBUKOAKNSA-N 0 1 362.470 3.470 20 5 FGBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110199271 494956710 /nfs/dbraw/zinc/95/67/10/494956710.db2.gz JCUHASPCMWFFDL-UHFFFAOYSA-N 0 1 352.681 3.371 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccc(F)cc2C1 ZINC000133928685 495082197 /nfs/dbraw/zinc/08/21/97/495082197.db2.gz KNJYRYVYBPGFNP-UHFFFAOYSA-N 0 1 373.384 3.129 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccs1 ZINC000134495702 495158479 /nfs/dbraw/zinc/15/84/79/495158479.db2.gz JSWLFCYLYKLNMU-ZDUSSCGKSA-N 0 1 353.831 3.342 20 5 FGBDMN Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000103202468 495204883 /nfs/dbraw/zinc/20/48/83/495204883.db2.gz DYHZXCDXVUMQQC-GFCCVEGCSA-N 0 1 367.365 3.094 20 5 FGBDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680159 495296444 /nfs/dbraw/zinc/29/64/44/495296444.db2.gz OUWXGLAFNCJCEY-OAHLLOKOSA-N 0 1 363.458 3.120 20 5 FGBDMN CCCNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680159 495296448 /nfs/dbraw/zinc/29/64/48/495296448.db2.gz OUWXGLAFNCJCEY-OAHLLOKOSA-N 0 1 363.458 3.120 20 5 FGBDMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120049398 495296447 /nfs/dbraw/zinc/29/64/47/495296447.db2.gz IRBWASVARGIBOI-AWEZNQCLSA-N 0 1 357.410 3.453 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)Cc3ccccc3)cs2)c1 ZINC000113337560 495297775 /nfs/dbraw/zinc/29/77/75/495297775.db2.gz ZTWFZGMBBNAFBG-SFHVURJKSA-N 0 1 369.446 3.412 20 5 FGBDMN Cc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000135633130 495320561 /nfs/dbraw/zinc/32/05/61/495320561.db2.gz DOCNAMZPJOWQES-UHFFFAOYSA-N 0 1 369.421 3.112 20 5 FGBDMN CCOC[C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000113935904 495337978 /nfs/dbraw/zinc/33/79/78/495337978.db2.gz UGSXUFKXFYYLBX-GFCCVEGCSA-N 0 1 374.384 3.453 20 5 FGBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000120504525 495393844 /nfs/dbraw/zinc/39/38/44/495393844.db2.gz LBCWDEHYXFBURL-JKSUJKDBSA-N 0 1 350.415 3.097 20 5 FGBDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000120785572 495457143 /nfs/dbraw/zinc/45/71/43/495457143.db2.gz JULTYGMFGCPBJK-SJORKVTESA-N 0 1 362.426 3.241 20 5 FGBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000120785572 495457146 /nfs/dbraw/zinc/45/71/46/495457146.db2.gz JULTYGMFGCPBJK-SJORKVTESA-N 0 1 362.426 3.241 20 5 FGBDMN COc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000173474686 495547027 /nfs/dbraw/zinc/54/70/27/495547027.db2.gz XRDAYANNGFZMLK-AWEZNQCLSA-N 0 1 374.466 3.407 20 5 FGBDMN CC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185362970 495549530 /nfs/dbraw/zinc/54/95/30/495549530.db2.gz VOQLZWJYLRIYBO-LJQANCHMSA-N 0 1 357.385 3.317 20 5 FGBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176216621 495549822 /nfs/dbraw/zinc/54/98/22/495549822.db2.gz HDOVXFNFDVCQGU-UHFFFAOYSA-N 0 1 368.441 3.034 20 5 FGBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000179411041 495580577 /nfs/dbraw/zinc/58/05/77/495580577.db2.gz NCPZOSBPMISLAQ-LSDHHAIUSA-N 0 1 371.437 3.349 20 5 FGBDMN COc1cc(CN2CCC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000158791977 495589811 /nfs/dbraw/zinc/58/98/11/495589811.db2.gz HLSLDMRHONAMDD-GOSISDBHSA-N 0 1 372.421 3.139 20 5 FGBDMN Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000179602999 495657772 /nfs/dbraw/zinc/65/77/72/495657772.db2.gz GIBBMEPEGBCKKJ-CYBMUJFWSA-N 0 1 370.413 3.310 20 5 FGBDMN COc1ccc([C@@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155253710 495892756 /nfs/dbraw/zinc/89/27/56/495892756.db2.gz JOLMCHNWCADAME-MRXNPFEDSA-N 0 1 369.421 3.056 20 5 FGBDMN Cc1cccc(C)c1OCCNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180396209 495980146 /nfs/dbraw/zinc/98/01/46/495980146.db2.gz WSGZRCQCRMZVAH-INIZCTEOSA-N 0 1 371.437 3.057 20 5 FGBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000186409836 495986877 /nfs/dbraw/zinc/98/68/77/495986877.db2.gz DTQNNLIKJWMZOV-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](c2ccsc2)O1 ZINC000155564468 495997141 /nfs/dbraw/zinc/99/71/41/495997141.db2.gz GNISBYWWMBZCMQ-BONVTDFDSA-N 0 1 372.406 3.135 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000160671462 496017236 /nfs/dbraw/zinc/01/72/36/496017236.db2.gz PVERFESITDGTTA-UHFFFAOYSA-N 0 1 371.802 3.069 20 5 FGBDMN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183743551 496100844 /nfs/dbraw/zinc/10/08/44/496100844.db2.gz OZXRGUNRUNELGO-NRFANRHFSA-N 0 1 369.465 3.320 20 5 FGBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000183787130 496116660 /nfs/dbraw/zinc/11/66/60/496116660.db2.gz DOWBABYZYAQQGU-FZMZJTMJSA-N 0 1 368.792 3.478 20 5 FGBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000156054828 496144869 /nfs/dbraw/zinc/14/48/69/496144869.db2.gz FVOLCOJNJAMDLT-SFHVURJKSA-N 0 1 372.425 3.336 20 5 FGBDMN COc1ccc(OCCNC(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183937815 496168376 /nfs/dbraw/zinc/16/83/76/496168376.db2.gz OWQBBKSQYWUIMJ-UHFFFAOYSA-N 0 1 351.428 3.272 20 5 FGBDMN CCOc1cccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141727 496255457 /nfs/dbraw/zinc/25/54/57/496255457.db2.gz GILZROMUUHRSBQ-IAGOWNOFSA-N 0 1 371.437 3.041 20 5 FGBDMN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162134719 496301795 /nfs/dbraw/zinc/30/17/95/496301795.db2.gz LTFVFCRADBISQE-ZDUSSCGKSA-N 0 1 356.407 3.402 20 5 FGBDMN Cc1c(CC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000162217442 496315923 /nfs/dbraw/zinc/31/59/23/496315923.db2.gz VZDFVJWWBXHTIP-SFHVURJKSA-N 0 1 359.401 3.004 20 5 FGBDMN COc1c(Cl)cccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156718502 496318870 /nfs/dbraw/zinc/31/88/70/496318870.db2.gz ZXXJSEFTUIIBKN-UHFFFAOYSA-N 0 1 370.814 3.241 20 5 FGBDMN COc1cc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1F ZINC000184312142 496329635 /nfs/dbraw/zinc/32/96/35/496329635.db2.gz FUYOOSPSYNDTBX-GFCCVEGCSA-N 0 1 371.372 3.174 20 5 FGBDMN CC(C)CCN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2C1 ZINC000184310512 496329740 /nfs/dbraw/zinc/32/97/40/496329740.db2.gz VATZQGWCSGAMCO-UHFFFAOYSA-N 0 1 369.425 3.186 20 5 FGBDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175399525 496373363 /nfs/dbraw/zinc/37/33/63/496373363.db2.gz REFBOTNRULREKA-HWRSSNJWSA-N 0 1 362.451 3.404 20 5 FGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000172685652 496386579 /nfs/dbraw/zinc/38/65/79/496386579.db2.gz RWDVIEAPIUEYPZ-LJQANCHMSA-N 0 1 353.422 3.266 20 5 FGBDMN Cc1ccc(Oc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000153220349 496386835 /nfs/dbraw/zinc/38/68/35/496386835.db2.gz ADGWJDWXDMKCGC-UHFFFAOYSA-N 0 1 352.350 3.349 20 5 FGBDMN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1Br ZINC000181512623 496427095 /nfs/dbraw/zinc/42/70/95/496427095.db2.gz YMTRLFWMSRHORU-UHFFFAOYSA-N 0 1 353.220 3.079 20 5 FGBDMN CC(C)c1nc2n(n1)CCC[C@@H]2Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000153421026 496448966 /nfs/dbraw/zinc/44/89/66/496448966.db2.gz HNPJATPTFQLBJS-ZDUSSCGKSA-N 0 1 369.385 3.307 20 5 FGBDMN Cc1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000184605460 496460665 /nfs/dbraw/zinc/46/06/65/496460665.db2.gz JLRACBZMHODWBV-UHFFFAOYSA-N 0 1 369.425 3.084 20 5 FGBDMN COCc1cccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181824281 496559867 /nfs/dbraw/zinc/55/98/67/496559867.db2.gz ONLQVGRWKVZBSV-OAHLLOKOSA-N 0 1 371.437 3.017 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000163938716 496571765 /nfs/dbraw/zinc/57/17/65/496571765.db2.gz BOWSAUATXUMYNW-CQSZACIVSA-N 0 1 365.393 3.188 20 5 FGBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccsc1 ZINC000187803298 496577862 /nfs/dbraw/zinc/57/78/62/496577862.db2.gz IFLFDVVUXATZAG-CQSZACIVSA-N 0 1 373.478 3.499 20 5 FGBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000157924561 496587128 /nfs/dbraw/zinc/58/71/28/496587128.db2.gz BGQLBZYUIBODFH-ZDUSSCGKSA-N 0 1 373.457 3.452 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ncc(C)s1 ZINC000184979233 496609720 /nfs/dbraw/zinc/60/97/20/496609720.db2.gz HUGBWDUBKPMUBO-LLVKDONJSA-N 0 1 364.427 3.048 20 5 FGBDMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000273197784 496737555 /nfs/dbraw/zinc/73/75/55/496737555.db2.gz QVFCKFWDTZQOEG-CYBMUJFWSA-N 0 1 374.393 3.006 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273201549 496739160 /nfs/dbraw/zinc/73/91/60/496739160.db2.gz IUKUCNBOEMCGCR-QAPCUYQASA-N 0 1 368.437 3.140 20 5 FGBDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000188893843 496939141 /nfs/dbraw/zinc/93/91/41/496939141.db2.gz LVFCZOOVEQKUHD-LLVKDONJSA-N 0 1 365.817 3.465 20 5 FGBDMN CN1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248078805 496952636 /nfs/dbraw/zinc/95/26/36/496952636.db2.gz RMFWKJHMORNTCZ-IAGOWNOFSA-N 0 1 359.813 3.423 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000277975303 496957673 /nfs/dbraw/zinc/95/76/73/496957673.db2.gz VIYDZPRJBMUPDX-RKDXNWHRSA-N 0 1 351.794 3.371 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000277984481 496960553 /nfs/dbraw/zinc/96/05/53/496960553.db2.gz VXNDMAGYVDZPRZ-RKDXNWHRSA-N 0 1 351.794 3.371 20 5 FGBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H](C)O1 ZINC000198409305 496968426 /nfs/dbraw/zinc/96/84/26/496968426.db2.gz GTSWQMHBIHVEPA-ZIAGYGMSSA-N 0 1 358.442 3.443 20 5 FGBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OC)cc1 ZINC000248182603 496970906 /nfs/dbraw/zinc/97/09/06/496970906.db2.gz FKNNTBLQSNEYCN-OAHLLOKOSA-N 0 1 354.366 3.361 20 5 FGBDMN CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCOCC1 ZINC000248294520 496978177 /nfs/dbraw/zinc/97/81/77/496978177.db2.gz WATCQEQSLVNTED-OAHLLOKOSA-N 0 1 358.442 3.302 20 5 FGBDMN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374967 496987210 /nfs/dbraw/zinc/98/72/10/496987210.db2.gz VHMFLWOMNQMARV-UKRRQHHQSA-N 0 1 362.451 3.405 20 5 FGBDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278255387 497052288 /nfs/dbraw/zinc/05/22/88/497052288.db2.gz WIZFWVJNMXCXKR-ORAYPTAESA-N 0 1 361.445 3.306 20 5 FGBDMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192351153 497083723 /nfs/dbraw/zinc/08/37/23/497083723.db2.gz BMDJVCCNBGJGSG-SJKOYZFVSA-N 0 1 355.394 3.295 20 5 FGBDMN COCc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000274391571 497086719 /nfs/dbraw/zinc/08/67/19/497086719.db2.gz PLGDGKRDQFAWPH-LBPRGKRZSA-N 0 1 362.386 3.158 20 5 FGBDMN O=[N+]([O-])c1c[nH]c(C(F)(F)C(F)(F)F)cc1=NOC[C@H]1CCOC1 ZINC000278572772 497155585 /nfs/dbraw/zinc/15/55/85/497155585.db2.gz XMYBYQLLCHHWFN-ZETCQYMHSA-N 0 1 357.235 3.024 20 5 FGBDMN CCc1[nH]nc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1[N+](=O)[O-] ZINC000271048750 497253416 /nfs/dbraw/zinc/25/34/16/497253416.db2.gz PUIWPQNDTJHKTI-UHFFFAOYSA-N 0 1 357.414 3.104 20 5 FGBDMN CCOc1ccc([C@H](C)NCc2ccc(NC(C)=O)nc2)cc1[N+](=O)[O-] ZINC000278962412 497282996 /nfs/dbraw/zinc/28/29/96/497282996.db2.gz BIUGPFTXSKNHST-LBPRGKRZSA-N 0 1 358.398 3.198 20 5 FGBDMN Cc1[nH]nc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)c1[N+](=O)[O-] ZINC000266383199 497322544 /nfs/dbraw/zinc/32/25/44/497322544.db2.gz UIRHONNMDUSGPQ-UHFFFAOYSA-N 0 1 370.331 3.182 20 5 FGBDMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000261618037 497420136 /nfs/dbraw/zinc/42/01/36/497420136.db2.gz COFVZNWOMAFQRJ-INIZCTEOSA-N 0 1 359.451 3.314 20 5 FGBDMN CCOC(=O)c1csc(CCNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000190339169 497442274 /nfs/dbraw/zinc/44/22/74/497442274.db2.gz QNMWOSPRUDEHAN-UHFFFAOYSA-N 0 1 369.830 3.214 20 5 FGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266928997 497448849 /nfs/dbraw/zinc/44/88/49/497448849.db2.gz NXPXPJBZHUFWCQ-GXTWGEPZSA-N 0 1 368.397 3.309 20 5 FGBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000193700692 497451282 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FGBDMN Cc1cc(N2CCOCC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000273115220 497800863 /nfs/dbraw/zinc/80/08/63/497800863.db2.gz GUAPPAWMXHKLIV-UHFFFAOYSA-N 0 1 357.410 3.085 20 5 FGBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000299499537 497825269 /nfs/dbraw/zinc/82/52/69/497825269.db2.gz CGWAXYIOZWUUIO-VIFPVBQESA-N 0 1 356.304 3.478 20 5 FGBDMN Cc1ncc(C[N@H+]2CC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000364439894 497958429 /nfs/dbraw/zinc/95/84/29/497958429.db2.gz MPCMUKGBKXNVNZ-NHYWBVRUSA-N 0 1 361.471 3.386 20 5 FGBDMN Cc1ncc(CN2CC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000364439894 497958436 /nfs/dbraw/zinc/95/84/36/497958436.db2.gz MPCMUKGBKXNVNZ-NHYWBVRUSA-N 0 1 361.471 3.386 20 5 FGBDMN CC(C)C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000301129830 497965299 /nfs/dbraw/zinc/96/52/99/497965299.db2.gz ZSFZYMVLKJCLPB-KRWDZBQOSA-N 0 1 358.442 3.302 20 5 FGBDMN CCn1cc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000296275888 497981778 /nfs/dbraw/zinc/98/17/78/497981778.db2.gz YMSFAYFEXOZNPI-WDEREUQCSA-N 0 1 365.821 3.142 20 5 FGBDMN O=C(NC1CC1)c1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581320617 505960839 /nfs/dbraw/zinc/96/08/39/505960839.db2.gz IWMHZVZDDRJAAI-SFHVURJKSA-N 0 1 351.406 3.264 20 5 FGBDMN COc1cc(N[C@H](C)CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301404629 498095640 /nfs/dbraw/zinc/09/56/40/498095640.db2.gz SUEIBSZFCLGKOV-MRXNPFEDSA-N 0 1 370.453 3.226 20 5 FGBDMN CCOc1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301423732 498103908 /nfs/dbraw/zinc/10/39/08/498103908.db2.gz AVQMQDMBOHDIAG-OKILXGFUSA-N 0 1 351.447 3.293 20 5 FGBDMN CCOc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301423730 498103986 /nfs/dbraw/zinc/10/39/86/498103986.db2.gz AVQMQDMBOHDIAG-KBPBESRZSA-N 0 1 351.447 3.293 20 5 FGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000330613091 498159696 /nfs/dbraw/zinc/15/96/96/498159696.db2.gz QWKGFWAIYQICGC-CYBMUJFWSA-N 0 1 356.369 3.445 20 5 FGBDMN C[NH+](C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC000572528039 505990454 /nfs/dbraw/zinc/99/04/54/505990454.db2.gz UEGOMLQYFPMNLU-ZDUSSCGKSA-N 0 1 364.789 3.056 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000569700524 505996508 /nfs/dbraw/zinc/99/65/08/505996508.db2.gz AUYOIAJFMYJLFR-AWEZNQCLSA-N 0 1 358.394 3.326 20 5 FGBDMN Cc1ccccc1[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000331453452 498336928 /nfs/dbraw/zinc/33/69/28/498336928.db2.gz ADIPYNJGNWYLEH-ACJLOTCBSA-N 0 1 356.378 3.211 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331764388 498446321 /nfs/dbraw/zinc/44/63/21/498446321.db2.gz CVDWDOHSXGFPNZ-JQWIXIFHSA-N 0 1 364.427 3.105 20 5 FGBDMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000572729226 506038058 /nfs/dbraw/zinc/03/80/58/506038058.db2.gz UJSGWSYRDZGBMD-LJQANCHMSA-N 0 1 373.409 3.225 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000331923158 498501564 /nfs/dbraw/zinc/50/15/64/498501564.db2.gz MIUPRIUPPLVRBP-UHFFFAOYSA-N 0 1 359.430 3.166 20 5 FGBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000293841302 498507100 /nfs/dbraw/zinc/50/71/00/498507100.db2.gz IZGSXUHHUDCLHC-QFIPXVFZSA-N 0 1 361.445 3.261 20 5 FGBDMN CCCO[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294499131 498710322 /nfs/dbraw/zinc/71/03/22/498710322.db2.gz FLMOIPIRTOXSNX-INIZCTEOSA-N 0 1 372.425 3.406 20 5 FGBDMN Cc1nc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)n[nH]1 ZINC000363368945 498782965 /nfs/dbraw/zinc/78/29/65/498782965.db2.gz CLLHYPSUHSRUPR-INIZCTEOSA-N 0 1 366.381 3.241 20 5 FGBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000319339396 498802286 /nfs/dbraw/zinc/80/22/86/498802286.db2.gz SVOWZCCEIQJULU-FMKPAKJESA-N 0 1 369.259 3.483 20 5 FGBDMN CCN(CC)[C@@H](c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)c1ccccc1 ZINC000573016799 506099565 /nfs/dbraw/zinc/09/95/65/506099565.db2.gz FGRYUNWUUUTYTK-CQSZACIVSA-N 0 1 370.413 3.118 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295079718 498901973 /nfs/dbraw/zinc/90/19/73/498901973.db2.gz WQMKCSQCOHNKSJ-QMMMGPOBSA-N 0 1 356.304 3.006 20 5 FGBDMN Cc1cc([C@@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000283568475 498925727 /nfs/dbraw/zinc/92/57/27/498925727.db2.gz OIMYTYXRINDGKI-OAHLLOKOSA-N 0 1 371.441 3.225 20 5 FGBDMN Cc1cc([C@@H]2CCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)n[nH]1 ZINC000283676593 498953730 /nfs/dbraw/zinc/95/37/30/498953730.db2.gz VSBMSDIZJWRNFB-GFCCVEGCSA-N 0 1 353.382 3.127 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC([C@@H]2CCCO2)CC1 ZINC000295275762 498963754 /nfs/dbraw/zinc/96/37/54/498963754.db2.gz SIZSCNYDVVZAGY-SFHVURJKSA-N 0 1 370.409 3.016 20 5 FGBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000372734163 499167762 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366.219 3.168 20 5 FGBDMN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000383092097 499546422 /nfs/dbraw/zinc/54/64/22/499546422.db2.gz ULATYTYEQRDIIO-UHFFFAOYSA-N 0 1 369.421 3.037 20 5 FGBDMN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000383092097 499546424 /nfs/dbraw/zinc/54/64/24/499546424.db2.gz ULATYTYEQRDIIO-UHFFFAOYSA-N 0 1 369.421 3.037 20 5 FGBDMN CC(C)[C@]1(CO)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377684505 499719493 /nfs/dbraw/zinc/71/94/93/499719493.db2.gz WTVSAMIPDZOFPG-SCLBCKFNSA-N 0 1 360.414 3.046 20 5 FGBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ncco4)cc3F)CC2)n1 ZINC000411657095 499774035 /nfs/dbraw/zinc/77/40/35/499774035.db2.gz SMOQRYUHBUDNII-UHFFFAOYSA-N 0 1 371.372 3.423 20 5 FGBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000411981878 499808922 /nfs/dbraw/zinc/80/89/22/499808922.db2.gz JLLPSMWREXPGDE-HNNXBMFYSA-N 0 1 366.421 3.442 20 5 FGBDMN 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500792664 /nfs/dbraw/zinc/79/26/64/500792664.db2.gz SHVFTRHPIIGFFU-CTNGQTDRSA-N 0 1 365.433 3.364 20 5 FGBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000434243200 500815682 /nfs/dbraw/zinc/81/56/82/500815682.db2.gz CXNDGSVFJXPFNO-STQMWFEESA-N 0 1 366.462 3.497 20 5 FGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434416943 500839844 /nfs/dbraw/zinc/83/98/44/500839844.db2.gz RKDBLOGJBADHKB-CJNGLKHVSA-N 0 1 363.483 3.209 20 5 FGBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)c2C)o1 ZINC000434438928 500842544 /nfs/dbraw/zinc/84/25/44/500842544.db2.gz MJOJVIYZWIDQPF-UHFFFAOYSA-N 0 1 365.349 3.350 20 5 FGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCOCc1ccccc1 ZINC000439485482 500904995 /nfs/dbraw/zinc/90/49/95/500904995.db2.gz IGLAXGFMPGRACW-MRXNPFEDSA-N 0 1 371.437 3.461 20 5 FGBDMN CCN(C)C(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000449441199 501003460 /nfs/dbraw/zinc/00/34/60/501003460.db2.gz 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C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000611383341 507653544 /nfs/dbraw/zinc/65/35/44/507653544.db2.gz DNUCXFYZRQZZBC-IVKJLDKCSA-N 0 1 357.454 3.330 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595789697 507687139 /nfs/dbraw/zinc/68/71/39/507687139.db2.gz SLSCMYNWBJQYCX-YJBOKZPZSA-N 0 1 362.426 3.163 20 5 FGBDMN CC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000595802588 507693949 /nfs/dbraw/zinc/69/39/49/507693949.db2.gz HFVGNEMFQCCZBA-INIZCTEOSA-N 0 1 359.430 3.032 20 5 FGBDMN CC1(C)C[C@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595909029 507737227 /nfs/dbraw/zinc/73/72/27/507737227.db2.gz LGFPBOPTVQOEEG-IBGZPJMESA-N 0 1 374.462 3.284 20 5 FGBDMN C[C@H](C[N@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000736584994 600685874 /nfs/dbraw/zinc/68/58/74/600685874.db2.gz ZONJCAYBVMRKEN-CQSZACIVSA-N 0 1 368.393 3.125 20 5 FGBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832240681 605939173 /nfs/dbraw/zinc/93/91/73/605939173.db2.gz XUBKHOSVCUXPOK-YHWZYXNKSA-N 0 1 353.806 3.401 20 5 FGBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832240681 605939175 /nfs/dbraw/zinc/93/91/75/605939175.db2.gz XUBKHOSVCUXPOK-YHWZYXNKSA-N 0 1 353.806 3.401 20 5 FGBDMN CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821613312 607176148 /nfs/dbraw/zinc/17/61/48/607176148.db2.gz HVJQKBOLVJRMBL-UHFFFAOYSA-N 0 1 358.789 3.060 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(Cc2cc(F)ccc2-c2nn[nH]n2)C2CC2)c1 ZINC000823647093 607176839 /nfs/dbraw/zinc/17/68/39/607176839.db2.gz FHGYGFWRSNBBLV-UHFFFAOYSA-N 0 1 368.372 3.079 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000015243438 695616708 /nfs/dbraw/zinc/61/67/08/695616708.db2.gz KWFDRZJJELLWRX-UHFFFAOYSA-N 0 1 369.330 3.060 20 5 FGBDMN COCCCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000117878273 700605964 /nfs/dbraw/zinc/60/59/64/700605964.db2.gz KSSBFYIBYMGXKB-UHFFFAOYSA-N 0 1 361.364 3.162 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 ZINC000120085821 700647916 /nfs/dbraw/zinc/64/79/16/700647916.db2.gz KEILXZAFGLNHKI-UHFFFAOYSA-N 0 1 368.314 3.356 20 5 FGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cs1 ZINC000120097716 700647974 /nfs/dbraw/zinc/64/79/74/700647974.db2.gz BDCVZKHAGGPLJX-UHFFFAOYSA-N 0 1 350.324 3.059 20 5 FGBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122440456 700689945 /nfs/dbraw/zinc/68/99/45/700689945.db2.gz LHVLZYNSVIQMSW-LZWOXQAQSA-N 0 1 367.877 3.322 20 5 FGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000134060522 704811020 /nfs/dbraw/zinc/81/10/20/704811020.db2.gz GYPKNTDBMNRKAF-UHFFFAOYSA-N 0 1 371.758 3.266 20 5 FGBDMN C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136868357 704865398 /nfs/dbraw/zinc/86/53/98/704865398.db2.gz RKNKQWZLPMLGGO-QGZVFWFLSA-N 0 1 350.802 3.292 20 5 FGBDMN CN(CCOc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136868357 704865405 /nfs/dbraw/zinc/86/54/05/704865405.db2.gz RKNKQWZLPMLGGO-QGZVFWFLSA-N 0 1 350.802 3.292 20 5 FGBDMN Cc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000170790829 705361647 /nfs/dbraw/zinc/36/16/47/705361647.db2.gz PNQXKWVORBGJGX-MRXNPFEDSA-N 0 1 354.328 3.443 20 5 FGBDMN COc1cc([N+](=O)[O-])c(-c2nc(C3(N)CCCC3)no2)cc1SC ZINC000261644522 713712108 /nfs/dbraw/zinc/71/21/08/713712108.db2.gz DMOZQCGHCYWZMI-UHFFFAOYSA-N 0 1 350.400 3.103 20 5 FGBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485850442 714096825 /nfs/dbraw/zinc/09/68/25/714096825.db2.gz SVYDVBQRAORHOH-SNVBAGLBSA-N 0 1 356.407 3.154 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000522938084 714213312 /nfs/dbraw/zinc/21/33/12/714213312.db2.gz LZEWWARLGAJIIO-INIZCTEOSA-N 0 1 365.792 3.420 20 5 FGBDMN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000524555810 714288214 /nfs/dbraw/zinc/28/82/14/714288214.db2.gz UHICRVSHIWFVAY-OAHLLOKOSA-N 0 1 367.858 3.271 20 5 FGBDMN C[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H](C)CN1C ZINC001164636419 719248626 /nfs/dbraw/zinc/24/86/26/719248626.db2.gz SRXUBVPNLRHTLG-NEPJUHHUSA-N 0 1 361.833 3.234 20 5 FGBDMN O=C1OCCN1c1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783599162 724770281 /nfs/dbraw/zinc/77/02/81/724770281.db2.gz XSZXYVKBHXOFFZ-UHFFFAOYSA-N 0 1 361.785 3.495 20 5 FGBDMN O=[N+]([O-])c1ccc(C(F)(F)N2CCN(C3CCCC3)CC2)nc1Cl ZINC001165029837 721854341 /nfs/dbraw/zinc/85/43/41/721854341.db2.gz MWANLKMRUSHSOQ-UHFFFAOYSA-N 0 1 360.792 3.253 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000732575535 722486229 /nfs/dbraw/zinc/48/62/29/722486229.db2.gz HAQLDIRPQHQCBY-INIZCTEOSA-N 0 1 365.792 3.420 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](CCO)c2cccs2)cccc1[N+](=O)[O-] ZINC000754395152 722937484 /nfs/dbraw/zinc/93/74/84/722937484.db2.gz NIYYSHARBKORBO-OCCSQVGLSA-N 0 1 363.439 3.005 20 5 FGBDMN CCOc1cc(C(=O)Nc2nc(Cl)ccc2O)c([N+](=O)[O-])cc1OC ZINC000790046935 723098620 /nfs/dbraw/zinc/09/86/20/723098620.db2.gz QYDKGWNPHDWUGQ-UHFFFAOYSA-N 0 1 367.745 3.008 20 5 FGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791051224 723208477 /nfs/dbraw/zinc/20/84/77/723208477.db2.gz DTTLZFOIXGTTEY-UHFFFAOYSA-N 0 1 354.351 3.037 20 5 FGBDMN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(Cl)c1 ZINC000791492510 723251334 /nfs/dbraw/zinc/25/13/34/723251334.db2.gz AGSKRVGSPBIMTQ-UHFFFAOYSA-N 0 1 352.686 3.219 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000795887527 723612820 /nfs/dbraw/zinc/61/28/20/723612820.db2.gz CHTCALARTPRAKK-ZETCQYMHSA-N 0 1 372.752 3.244 20 5 FGBDMN COCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768866176 723670181 /nfs/dbraw/zinc/67/01/81/723670181.db2.gz PZCFPGSXRMFTDD-UHFFFAOYSA-N 0 1 356.787 3.195 20 5 FGBDMN CCc1cc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000774528911 723903482 /nfs/dbraw/zinc/90/34/82/723903482.db2.gz GQTVSSTZQGMOIG-UHFFFAOYSA-N 0 1 359.264 3.419 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)o1 ZINC000775201641 723970506 /nfs/dbraw/zinc/97/05/06/723970506.db2.gz NCMDWLFKPTUPTF-UHFFFAOYSA-N 0 1 361.173 3.060 20 5 FGBDMN CCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000777659722 724248404 /nfs/dbraw/zinc/24/84/04/724248404.db2.gz GBECRRDWMWJJAA-UHFFFAOYSA-N 0 1 359.404 3.170 20 5 FGBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788476024 725066456 /nfs/dbraw/zinc/06/64/56/725066456.db2.gz MHLSASNOGOBTNA-DZGCQCFKSA-N 0 1 351.422 3.251 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000809843335 725272605 /nfs/dbraw/zinc/27/26/05/725272605.db2.gz NCKAGZYMLWCKBI-SSDOTTSWSA-N 0 1 372.752 3.101 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000811723279 725378406 /nfs/dbraw/zinc/37/84/06/725378406.db2.gz IBGHPPCWVABKLZ-UHFFFAOYSA-N 0 1 365.367 3.175 20 5 FGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)COc2ccccc2Cl)c1 ZINC000819149384 727352800 /nfs/dbraw/zinc/35/28/00/727352800.db2.gz IOSIPTGRWXQNKI-CYBMUJFWSA-N 0 1 371.220 3.431 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1F ZINC000821252629 729071473 /nfs/dbraw/zinc/07/14/73/729071473.db2.gz NWZYWQIYDMTOOK-LBPRGKRZSA-N 0 1 369.393 3.276 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(F)c1 ZINC000825031032 729368338 /nfs/dbraw/zinc/36/83/38/729368338.db2.gz WSDFDBFIUPECLY-DYVFJYSZSA-N 0 1 350.390 3.242 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000836782026 729969722 /nfs/dbraw/zinc/96/97/22/729969722.db2.gz NQDBSOIWYUMCIJ-SECBINFHSA-N 0 1 351.794 3.289 20 5 FGBDMN O=C(O[C@@H](c1ccc(Br)cc1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841139135 730215889 /nfs/dbraw/zinc/21/58/89/730215889.db2.gz CLXVAQHPTOHJQP-BBBLOLIVSA-N 0 1 368.105 3.261 20 5 FGBDMN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000849329578 731248149 /nfs/dbraw/zinc/24/81/49/731248149.db2.gz XRWTWKAQQKVVQM-CABCVRRESA-N 0 1 362.348 3.108 20 5 FGBDMN Cc1nc([C@H]2CCCN(c3cccc(Br)c3[N+](=O)[O-])C2)n[nH]1 ZINC000856735599 732050161 /nfs/dbraw/zinc/05/01/61/732050161.db2.gz YINXDHQNROXPME-JTQLQIEISA-N 0 1 366.219 3.168 20 5 FGBDMN Cc1nnc([C@H]2CCCN(c3cccc(Br)c3[N+](=O)[O-])C2)[nH]1 ZINC000856735599 732050169 /nfs/dbraw/zinc/05/01/69/732050169.db2.gz YINXDHQNROXPME-JTQLQIEISA-N 0 1 366.219 3.168 20 5 FGBDMN O=C(OCCN1CCCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858985967 732266076 /nfs/dbraw/zinc/26/60/76/732266076.db2.gz AIDMBMRCYLSRPP-UHFFFAOYSA-N 0 1 357.204 3.000 20 5 FGBDMN C[C@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000867982612 733542170 /nfs/dbraw/zinc/54/21/70/733542170.db2.gz DGCSSVBPTOZGSJ-MEDUHNTESA-N 0 1 355.385 3.099 20 5 FGBDMN Cn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])n1 ZINC000876803727 736146819 /nfs/dbraw/zinc/14/68/19/736146819.db2.gz KCBSJOLZOXNYQC-CABCVRRESA-N 0 1 364.471 3.258 20 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CCOC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247089143 496776651 /nfs/dbraw/zinc/77/66/51/496776651.db2.gz WICULKYBUKGXAX-ZIAGYGMSSA-N 0 1 360.414 3.454 20 5 FGBDMN CCOC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247089143 496776654 /nfs/dbraw/zinc/77/66/54/496776654.db2.gz WICULKYBUKGXAX-ZIAGYGMSSA-N 0 1 360.414 3.454 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268910515 496821130 /nfs/dbraw/zinc/82/11/30/496821130.db2.gz NYFAMUYMIJFVNT-HNNXBMFYSA-N 0 1 371.437 3.291 20 5 FGBDMN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273593488 496848633 /nfs/dbraw/zinc/84/86/33/496848633.db2.gz UPARBQVIPZAGTH-WMLDXEAASA-N 0 1 360.341 3.090 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000277689212 496853861 /nfs/dbraw/zinc/85/38/61/496853861.db2.gz CQJCXRJMIJYYBX-BDAKNGLRSA-N 0 1 351.794 3.371 20 5 FGBDMN C[C@H](c1ccccc1Cl)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 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497564600 /nfs/dbraw/zinc/56/46/00/497564600.db2.gz PPMGRQRHXRHJOT-HOTGVXAUSA-N 0 1 352.456 3.090 20 5 FGBDMN O=C(c1ccccc1F)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194140052 497585548 /nfs/dbraw/zinc/58/55/48/497585548.db2.gz XJCURFKFFNLHQI-UHFFFAOYSA-N 0 1 371.412 3.125 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000276759837 497645964 /nfs/dbraw/zinc/64/59/64/497645964.db2.gz AFUUWBNYXILFAZ-VHSXEESVSA-N 0 1 362.390 3.118 20 5 FGBDMN C[C@@H](CCO)C1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000272540276 497655590 /nfs/dbraw/zinc/65/55/90/497655590.db2.gz OXJFZYONDNIPND-YJBOKZPZSA-N 0 1 372.469 3.196 20 5 FGBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263372915 497770802 /nfs/dbraw/zinc/77/08/02/497770802.db2.gz VYJCMVSCVMKHNP-DGCLKSJQSA-N 0 1 361.423 3.403 20 5 FGBDMN Cn1ccnc1[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000280746349 497882800 /nfs/dbraw/zinc/88/28/00/497882800.db2.gz BDOMNICYNZZSHS-IUODEOHRSA-N 0 1 350.369 3.443 20 5 FGBDMN CC(C)(NCCCS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292116454 497885493 /nfs/dbraw/zinc/88/54/93/497885493.db2.gz JSCOKAFXTIXGRZ-UHFFFAOYSA-N 0 1 362.451 3.284 20 5 FGBDMN O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000364343722 497910068 /nfs/dbraw/zinc/91/00/68/497910068.db2.gz XQUXSESTZHQVHU-MRXNPFEDSA-N 0 1 352.398 3.019 20 5 FGBDMN CSC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415248 498007107 /nfs/dbraw/zinc/00/71/07/498007107.db2.gz MJDJOSVBYQCCQB-ZIAGYGMSSA-N 0 1 351.472 3.305 20 5 FGBDMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285539 498037891 /nfs/dbraw/zinc/03/78/91/498037891.db2.gz QMLDIBJZGPCWNY-WBMJQRKESA-N 0 1 361.833 3.361 20 5 FGBDMN Cc1noc([C@@H](N[C@@H](C)CCc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000364710406 498105370 /nfs/dbraw/zinc/10/53/70/498105370.db2.gz QGVUTPITPFMLRT-UGSOOPFHSA-N 0 1 374.441 3.365 20 5 FGBDMN 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Cc1oc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)[O-] ZINC000581949299 506097347 /nfs/dbraw/zinc/09/73/47/506097347.db2.gz WSXSPXTXJUKTOA-GFCCVEGCSA-N 0 1 359.382 3.078 20 5 FGBDMN CSc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000326547893 498843527 /nfs/dbraw/zinc/84/35/27/498843527.db2.gz MWIXVWKSOXAZHH-JTQLQIEISA-N 0 1 370.427 3.495 20 5 FGBDMN CSc1ccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000326547894 498844126 /nfs/dbraw/zinc/84/41/26/498844126.db2.gz MWIXVWKSOXAZHH-SNVBAGLBSA-N 0 1 370.427 3.495 20 5 FGBDMN Cc1nc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ncc1[N+](=O)[O-] ZINC000294941350 498857126 /nfs/dbraw/zinc/85/71/26/498857126.db2.gz JSHKTCRCRRTVRH-AWEZNQCLSA-N 0 1 371.445 3.243 20 5 FGBDMN Cc1nc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ncc1[N+](=O)[O-] ZINC000294941350 498857132 /nfs/dbraw/zinc/85/71/32/498857132.db2.gz JSHKTCRCRRTVRH-AWEZNQCLSA-N 0 1 371.445 3.243 20 5 FGBDMN C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 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VRZTXWSYWJFNHV-MRXNPFEDSA-N 0 1 365.227 3.355 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(C[S@](C)=O)cc1 ZINC000595049106 507368604 /nfs/dbraw/zinc/36/86/04/507368604.db2.gz LWISCMWZJJZTSK-CANCMXDXSA-N 0 1 362.451 3.333 20 5 FGBDMN COc1cccc(OC)c1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595072123 507380047 /nfs/dbraw/zinc/38/00/47/507380047.db2.gz FZEWPVXBLFIIPE-CYBMUJFWSA-N 0 1 373.409 3.119 20 5 FGBDMN O=C([O-])[C@]12C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1CCCC2 ZINC000595279423 507446600 /nfs/dbraw/zinc/44/66/00/507446600.db2.gz KPXHQKNEUJFDPA-AUUYWEPGSA-N 0 1 371.393 3.327 20 5 FGBDMN CCCc1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000598640418 507527493 /nfs/dbraw/zinc/52/74/93/507527493.db2.gz ZTYIUUGOJBCXHC-UHFFFAOYSA-N 0 1 368.480 3.172 20 5 FGBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc(C)c1 ZINC000592189212 507532101 /nfs/dbraw/zinc/53/21/01/507532101.db2.gz HNGAPLQXWZRAPI-MRXNPFEDSA-N 0 1 368.480 3.479 20 5 FGBDMN CC(C)(C)OC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000595540719 507550368 /nfs/dbraw/zinc/55/03/68/507550368.db2.gz QAECSSSVCJVJAV-UHFFFAOYSA-N 0 1 368.405 3.105 20 5 FGBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CCCN2)no1 ZINC000592356150 507615292 /nfs/dbraw/zinc/61/52/92/507615292.db2.gz BVXDTMQIRTZZTM-LLVKDONJSA-N 0 1 353.176 3.140 20 5 FGBDMN Cc1[nH]c2ccccc2c1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602449869 507714994 /nfs/dbraw/zinc/71/49/94/507714994.db2.gz SNJHOVHOYRNMRL-UHFFFAOYSA-N 0 1 353.426 3.498 20 5 FGBDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000611566881 507742458 /nfs/dbraw/zinc/74/24/58/507742458.db2.gz MEVAVDKFEPCGCC-RKDXNWHRSA-N 0 1 356.304 3.274 20 5 FGBDMN Cc1[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000832921527 601370896 /nfs/dbraw/zinc/37/08/96/601370896.db2.gz RULVTMBLEIHHRM-AAEUAGOBSA-N 0 1 373.409 3.468 20 5 FGBDMN C[C@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000824537741 609249556 /nfs/dbraw/zinc/24/95/56/609249556.db2.gz FYLQETMXSMUXLW-LBPRGKRZSA-N 0 1 350.382 3.115 20 5 FGBDMN Cc1c([C@H](C)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826236053 609250605 /nfs/dbraw/zinc/25/06/05/609250605.db2.gz XHUACQUQVKYINA-ZDUSSCGKSA-N 0 1 364.409 3.423 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(Cl)cc1F ZINC000120645619 700658025 /nfs/dbraw/zinc/65/80/25/700658025.db2.gz KCOOUMHKUOIXOU-UHFFFAOYSA-N 0 1 359.766 3.079 20 5 FGBDMN Cc1noc(C)c1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129868739 700792811 /nfs/dbraw/zinc/79/28/11/700792811.db2.gz QGZZMCUEWLDFAD-VIFPVBQESA-N 0 1 350.350 3.018 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000175696573 705556364 /nfs/dbraw/zinc/55/63/64/705556364.db2.gz PHBVWGZEARAGGI-HNNXBMFYSA-N 0 1 365.792 3.420 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000374214318 713905511 /nfs/dbraw/zinc/90/55/11/713905511.db2.gz XHSXGZLVWIWCTA-DZGCQCFKSA-N 0 1 364.471 3.258 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000374214318 713905513 /nfs/dbraw/zinc/90/55/13/713905513.db2.gz XHSXGZLVWIWCTA-DZGCQCFKSA-N 0 1 364.471 3.258 20 5 FGBDMN CCOc1cc(CN2CCC(CCC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000522055231 714167640 /nfs/dbraw/zinc/16/76/40/714167640.db2.gz CHACMYOSWKDOKE-UHFFFAOYSA-N 0 1 350.415 3.159 20 5 FGBDMN CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000522798654 714205736 /nfs/dbraw/zinc/20/57/36/714205736.db2.gz AAKLMNAXPHDOLW-UHFFFAOYSA-N 0 1 370.377 3.129 20 5 FGBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000780502366 724472845 /nfs/dbraw/zinc/47/28/45/724472845.db2.gz UATNBBSDWWUWNN-QMMMGPOBSA-N 0 1 360.757 3.321 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000749670309 722736264 /nfs/dbraw/zinc/73/62/64/722736264.db2.gz KSHNOAOMPQJMAI-HNNXBMFYSA-N 0 1 369.190 3.320 20 5 FGBDMN CCOc1cc(CN2CCC(N(C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000755068722 722949886 /nfs/dbraw/zinc/94/98/86/722949886.db2.gz ZJTZHYNBSJILAD-UHFFFAOYSA-N 0 1 357.401 3.155 20 5 FGBDMN COc1ccc(OCCOC(=O)c2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000762832663 723282260 /nfs/dbraw/zinc/28/22/60/723282260.db2.gz SYQXFQDJEDRVQE-UHFFFAOYSA-N 0 1 367.741 3.198 20 5 FGBDMN CC(C)[C@@H](C)N(C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795406964 723588578 /nfs/dbraw/zinc/58/85/78/723588578.db2.gz SQFFZECBCHBGAS-SNVBAGLBSA-N 0 1 370.247 3.247 20 5 FGBDMN COc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775298014 723979427 /nfs/dbraw/zinc/97/94/27/723979427.db2.gz ZRESTIUFCOMMGU-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2O1 ZINC000785490462 724916885 /nfs/dbraw/zinc/91/68/85/724916885.db2.gz ZBDINIWZBYBQIZ-INIZCTEOSA-N 0 1 364.379 3.293 20 5 FGBDMN O=c1[nH]nc([C@H]2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)o1 ZINC000786551761 724988413 /nfs/dbraw/zinc/98/84/13/724988413.db2.gz RZFHMLOJRSNFOQ-ZETCQYMHSA-N 0 1 359.169 3.374 20 5 FGBDMN C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788560064 725072963 /nfs/dbraw/zinc/07/29/63/725072963.db2.gz ARWREDXXLDCYHF-SNVBAGLBSA-N 0 1 363.801 3.452 20 5 FGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)COc1ccccc1 ZINC000811472786 725367985 /nfs/dbraw/zinc/36/79/85/725367985.db2.gz KUNMMJDRHWMLRQ-CYBMUJFWSA-N 0 1 371.220 3.431 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000815042935 727024958 /nfs/dbraw/zinc/02/49/58/727024958.db2.gz QOMHNSHTLTZHMZ-SSDOTTSWSA-N 0 1 372.752 3.101 20 5 FGBDMN Cc1ccccc1OC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000819149136 727352734 /nfs/dbraw/zinc/35/27/34/727352734.db2.gz HKGJNCSKJSARFX-OAHLLOKOSA-N 0 1 350.802 3.086 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(O)cccc2Cl)c1F ZINC000821111715 729059388 /nfs/dbraw/zinc/05/93/88/729059388.db2.gz RLNSUGOVUNWEPY-UHFFFAOYSA-N 0 1 360.750 3.202 20 5 FGBDMN C[C@]1(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(Cl)Cl ZINC000836918393 729974512 /nfs/dbraw/zinc/97/45/12/729974512.db2.gz ZMCJWQKCMAQKNC-ZDUSSCGKSA-N 0 1 357.197 3.175 20 5 FGBDMN C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000841563793 730256969 /nfs/dbraw/zinc/25/69/69/730256969.db2.gz UUPVXSRGMDTMRW-SSDOTTSWSA-N 0 1 360.741 3.115 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN(C)C(=O)OC(C)(C)C ZINC000850429171 731356274 /nfs/dbraw/zinc/35/62/74/731356274.db2.gz BQJUZMQENUTNPJ-GFCCVEGCSA-N 0 1 353.419 3.121 20 5 FGBDMN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000852678800 731618828 /nfs/dbraw/zinc/61/88/28/731618828.db2.gz GPUFNNQSHRRNAP-HUUCEWRRSA-N 0 1 371.220 3.258 20 5 FGBDMN Cc1noc(CN[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000852727330 731625222 /nfs/dbraw/zinc/62/52/22/731625222.db2.gz IDQWCJIHGNLFTJ-GOEBONIOSA-N 0 1 353.806 3.392 20 5 FGBDMN C[C@@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000867982610 733542050 /nfs/dbraw/zinc/54/20/50/733542050.db2.gz DGCSSVBPTOZGSJ-BDJLRTHQSA-N 0 1 355.385 3.099 20 5 FGBDMN C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050772 735581720 /nfs/dbraw/zinc/58/17/20/735581720.db2.gz FIHQQIQACQEESU-LLVKDONJSA-N 0 1 353.394 3.251 20 5 FGBDMN O=C(C1CCCC1)N1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893112453 742111692 /nfs/dbraw/zinc/11/16/92/742111692.db2.gz NTGGPTVNOZQTJU-HNNXBMFYSA-N 0 1 351.834 3.129 20 5 FGBDMN COc1c(O)ccc(CN2CCC([C@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000895406932 742408080 /nfs/dbraw/zinc/40/80/80/742408080.db2.gz ZQUIZIFWARNKSJ-MRXNPFEDSA-N 0 1 350.415 3.090 20 5 FGBDMN O=C(c1cc(C(F)F)[nH]n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900837603 743181225 /nfs/dbraw/zinc/18/12/25/743181225.db2.gz HPXXJOKANKHGCU-AWEZNQCLSA-N 0 1 354.338 3.143 20 5 FGBDMN O=C([O-])CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901553418 743303686 /nfs/dbraw/zinc/30/36/86/743303686.db2.gz LLPUBPMFNFUVSF-LLVKDONJSA-N 0 1 371.231 3.434 20 5 FGBDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901553418 743303699 /nfs/dbraw/zinc/30/36/99/743303699.db2.gz LLPUBPMFNFUVSF-LLVKDONJSA-N 0 1 371.231 3.434 20 5 FGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901785469 743640364 /nfs/dbraw/zinc/64/03/64/743640364.db2.gz FAKRPQGTDARYDV-GFCCVEGCSA-N 0 1 352.696 3.087 20 5 FGBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901785469 743640368 /nfs/dbraw/zinc/64/03/68/743640368.db2.gz FAKRPQGTDARYDV-GFCCVEGCSA-N 0 1 352.696 3.087 20 5 FGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000903630531 743865480 /nfs/dbraw/zinc/86/54/80/743865480.db2.gz DRSNRFGVQAPKDR-GFCCVEGCSA-N 0 1 361.423 3.204 20 5 FGBDMN COC(=O)c1cnc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000932665072 761211860 /nfs/dbraw/zinc/21/18/60/761211860.db2.gz RSXWOJDGXKLVSU-CYBMUJFWSA-N 0 1 361.423 3.136 20 5 FGBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000108591751 209290038 /nfs/dbraw/zinc/29/00/38/209290038.db2.gz 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ZINC000541190776 504037296 /nfs/dbraw/zinc/03/72/96/504037296.db2.gz WDOPIDXPAMSQIN-OAHLLOKOSA-N 0 1 354.410 3.043 20 5 FGBDMN CCc1cnccc1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541194552 504038182 /nfs/dbraw/zinc/03/81/82/504038182.db2.gz RHYKGYRROUPKBR-NSHDSACASA-N 0 1 362.817 3.495 20 5 FGBDMN CC(=O)c1ccc2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000534479647 504152734 /nfs/dbraw/zinc/15/27/34/504152734.db2.gz JMJXWCDCBUZWPO-UHFFFAOYSA-N 0 1 354.406 3.277 20 5 FGBDMN COc1ccc(-c2ccc(CN[C@H](CO)CC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000534512589 504160761 /nfs/dbraw/zinc/16/07/61/504160761.db2.gz CVKMQONCHAVHJK-JTQLQIEISA-N 0 1 374.315 3.266 20 5 FGBDMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000544572631 504179359 /nfs/dbraw/zinc/17/93/59/504179359.db2.gz MXLZADVTRKQDFV-HNNXBMFYSA-N 0 1 362.451 3.336 20 5 FGBDMN CSc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000541588059 504188607 /nfs/dbraw/zinc/18/86/07/504188607.db2.gz LBFCHVUTQBSOOF-UHFFFAOYSA-N 0 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3.397 20 5 FGBDMN Cc1ccc2nc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 ZINC000553485524 504928677 /nfs/dbraw/zinc/92/86/77/504928677.db2.gz UQZZRLZKICKFMB-UHFFFAOYSA-N 0 1 362.349 3.218 20 5 FGBDMN CN(CC(=O)Nc1cc(Cl)c(O)cc1F)c1ccccc1[N+](=O)[O-] ZINC000553662751 504976776 /nfs/dbraw/zinc/97/67/76/504976776.db2.gz HHPTYDYYVMHESC-UHFFFAOYSA-N 0 1 353.737 3.168 20 5 FGBDMN CC[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000557261590 505101067 /nfs/dbraw/zinc/10/10/67/505101067.db2.gz KOLOOXOSRSHMHS-KRWDZBQOSA-N 0 1 363.439 3.207 20 5 FGBDMN CC(=O)NCC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000554289469 505135985 /nfs/dbraw/zinc/13/59/85/505135985.db2.gz CRNCHMQMGCXLKE-MRXNPFEDSA-N 0 1 363.458 3.120 20 5 FGBDMN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000557468080 505142924 /nfs/dbraw/zinc/14/29/24/505142924.db2.gz DMKKKCHPVSMAFN-SMDDNHRTSA-N 0 1 358.398 3.248 20 5 FGBDMN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000551030184 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CCCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000589499622 506571056 /nfs/dbraw/zinc/57/10/56/506571056.db2.gz YDVAUDQZWCOUAB-INIZCTEOSA-N 0 1 350.415 3.163 20 5 FGBDMN CC[C@@H](CO)N(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000612433611 506579276 /nfs/dbraw/zinc/57/92/76/506579276.db2.gz KHFLEKDQVRCEGO-SFHVURJKSA-N 0 1 372.421 3.234 20 5 FGBDMN COc1ccc([N+](=O)[O-])c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000583203856 506648010 /nfs/dbraw/zinc/64/80/10/506648010.db2.gz XJIIYMXACZLZSH-GOSISDBHSA-N 0 1 372.421 3.273 20 5 FGBDMN Cc1c(NC(=O)CCN2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000603909347 506655471 /nfs/dbraw/zinc/65/54/71/506655471.db2.gz SFWKGJOMDZQXLE-UHFFFAOYSA-N 0 1 355.394 3.126 20 5 FGBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593748145 506758954 /nfs/dbraw/zinc/75/89/54/506758954.db2.gz GKJKNJDMWWJZAA-AWEZNQCLSA-N 0 1 350.415 3.187 20 5 FGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593748146 506759740 /nfs/dbraw/zinc/75/97/40/506759740.db2.gz GKJKNJDMWWJZAA-CQSZACIVSA-N 0 1 350.415 3.187 20 5 FGBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609018328 506763621 /nfs/dbraw/zinc/76/36/21/506763621.db2.gz UIVLLSAVIXNSQV-IBGZPJMESA-N 0 1 368.437 3.255 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000593828819 506794083 /nfs/dbraw/zinc/79/40/83/506794083.db2.gz OXOWKZAEKWYKTP-AWEZNQCLSA-N 0 1 372.425 3.126 20 5 FGBDMN Cc1[nH]nc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000609166110 506800581 /nfs/dbraw/zinc/80/05/81/506800581.db2.gz GBDFBBZWKUUJFD-UHFFFAOYSA-N 0 1 365.393 3.172 20 5 FGBDMN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000590379624 506807188 /nfs/dbraw/zinc/80/71/88/506807188.db2.gz XNGQAMILRWSOLI-UHFFFAOYSA-N 0 1 363.377 3.260 20 5 FGBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590443483 506824908 /nfs/dbraw/zinc/82/49/08/506824908.db2.gz DEYAOJMNAYFPLY-BBRMVZONSA-N 0 1 363.483 3.263 20 5 FGBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])cn3C)[nH]c2c1 ZINC000604508911 506855807 /nfs/dbraw/zinc/85/58/07/506855807.db2.gz GJMCCOZMUKHUSQ-HNNXBMFYSA-N 0 1 353.382 3.095 20 5 FGBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)NC1CCCC1 ZINC000609544464 506916277 /nfs/dbraw/zinc/91/62/77/506916277.db2.gz JFVVWZRGANMWEP-UHFFFAOYSA-N 0 1 359.451 3.472 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594108904 506944852 /nfs/dbraw/zinc/94/48/52/506944852.db2.gz ZOEPERYOVKKFQK-ZBFHGGJFSA-N 0 1 362.430 3.132 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000609631606 506954227 /nfs/dbraw/zinc/95/42/27/506954227.db2.gz GDZXTOGMNINWSO-JLJPHGGASA-N 0 1 361.442 3.443 20 5 FGBDMN C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610003965 507069287 /nfs/dbraw/zinc/06/92/87/507069287.db2.gz UUYCMBGDGXDVMJ-GUYCJALGSA-N 0 1 360.385 3.093 20 5 FGBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3ccc(Cl)cc3[N+](=O)[O-])n1)OC2 ZINC000583961339 507072192 /nfs/dbraw/zinc/07/21/92/507072192.db2.gz VZLQHAKKHTUAJW-CJNGLKHVSA-N 0 1 364.789 3.224 20 5 FGBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597726980 507077216 /nfs/dbraw/zinc/07/72/16/507077216.db2.gz YBJXLMCDVJKQQP-VIFPVBQESA-N 0 1 361.789 3.296 20 5 FGBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594488724 507152745 /nfs/dbraw/zinc/15/27/45/507152745.db2.gz VCBDUPUTLSHYMN-VIFPVBQESA-N 0 1 366.361 3.226 20 5 FGBDMN COc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610272764 507170191 /nfs/dbraw/zinc/17/01/91/507170191.db2.gz KUKKFLGZKXREBN-QGZVFWFLSA-N 0 1 366.421 3.411 20 5 FGBDMN COc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610272763 507170534 /nfs/dbraw/zinc/17/05/34/507170534.db2.gz KUKKFLGZKXREBN-KRWDZBQOSA-N 0 1 366.421 3.411 20 5 FGBDMN CC(C)(C)Oc1cc(NCc2n[nH]c([C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000594589794 507198524 /nfs/dbraw/zinc/19/85/24/507198524.db2.gz OSBVUFMVMYYDMA-CYBMUJFWSA-N 0 1 361.402 3.354 20 5 FGBDMN COC[C@@H](C)Oc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149838 507277339 /nfs/dbraw/zinc/27/73/39/507277339.db2.gz QKTGLJJESUQJNX-QRWLVFNGSA-N 0 1 374.437 3.006 20 5 FGBDMN C[C@@](CO)(NCc1ccc2c(c1)OCCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000601149580 507278082 /nfs/dbraw/zinc/27/80/82/507278082.db2.gz OLUDWGSKOJZMGI-FQEVSTJZSA-N 0 1 372.421 3.144 20 5 FGBDMN CCOc1ccc([C@@H](C)NC[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601294979 507327115 /nfs/dbraw/zinc/32/71/15/507327115.db2.gz RCSHXBIMGYCSAV-YGRLFVJLSA-N 0 1 373.335 3.039 20 5 FGBDMN Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595077173 507380950 /nfs/dbraw/zinc/38/09/50/507380950.db2.gz MXFASXJACNFZJP-CQSZACIVSA-N 0 1 354.472 3.301 20 5 FGBDMN Cc1ccc([C@H](C)NCC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595077171 507381154 /nfs/dbraw/zinc/38/11/54/507381154.db2.gz MXFASXJACNFZJP-AWEZNQCLSA-N 0 1 354.472 3.301 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000610891243 507433727 /nfs/dbraw/zinc/43/37/27/507433727.db2.gz AAQJGVVNEIBVLN-LBPRGKRZSA-N 0 1 367.361 3.461 20 5 FGBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000601879809 507498985 /nfs/dbraw/zinc/49/89/85/507498985.db2.gz ACIJYKDDCHBJDB-KRWDZBQOSA-N 0 1 353.422 3.216 20 5 FGBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592155180 507512304 /nfs/dbraw/zinc/51/23/04/507512304.db2.gz LLQDRPSEIAPENU-NVXWUHKLSA-N 0 1 353.422 3.294 20 5 FGBDMN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595524331 507543665 /nfs/dbraw/zinc/54/36/65/507543665.db2.gz LXMLYUSWIJUSGN-JFRXWTBNSA-N 0 1 357.454 3.222 20 5 FGBDMN CO[C@@]1(C)C[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611276669 507600657 /nfs/dbraw/zinc/60/06/57/507600657.db2.gz RIYKHQXEVLIGGA-WMZOPIPTSA-N 0 1 350.415 3.001 20 5 FGBDMN CO[C@@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000592374559 507625867 /nfs/dbraw/zinc/62/58/67/507625867.db2.gz KYCDFISFBKCTOE-GDBMZVCRSA-N 0 1 352.774 3.012 20 5 FGBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)NC ZINC000611379702 507650981 /nfs/dbraw/zinc/65/09/81/507650981.db2.gz AXLGBURKEBNXHG-QGZVFWFLSA-N 0 1 371.437 3.269 20 5 FGBDMN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCN(C2CC2)C1 ZINC000602465232 507717895 /nfs/dbraw/zinc/71/78/95/507717895.db2.gz LSYVGQVWFGPBBO-JTQLQIEISA-N 0 1 360.277 3.087 20 5 FGBDMN COc1cccc(C2(NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000595862686 507718731 /nfs/dbraw/zinc/71/87/31/507718731.db2.gz WGXREMSLVQBGPK-UHFFFAOYSA-N 0 1 369.421 3.235 20 5 FGBDMN O=[N+]([O-])c1sc(CN[C@H](CO)Cc2ccccc2)cc1Br ZINC000602544987 507744012 /nfs/dbraw/zinc/74/40/12/507744012.db2.gz GKNRZIFOSGPPGX-NSHDSACASA-N 0 1 371.256 3.112 20 5 FGBDMN CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000826916654 605469726 /nfs/dbraw/zinc/46/97/26/605469726.db2.gz PIOYHOISYDFYGD-UHFFFAOYSA-N 0 1 362.386 3.090 20 5 FGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824529132 609136185 /nfs/dbraw/zinc/13/61/85/609136185.db2.gz FBPKXCKWRPKSOB-WDEREUQCSA-N 0 1 356.361 3.326 20 5 FGBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000043331340 695791206 /nfs/dbraw/zinc/79/12/06/695791206.db2.gz SANBEVSHKPJFST-UHFFFAOYSA-N 0 1 352.822 3.340 20 5 FGBDMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnc([C@H]2CCCO2)s1 ZINC000089749659 700394811 /nfs/dbraw/zinc/39/48/11/700394811.db2.gz GKUAXFHRXINAJE-LLVKDONJSA-N 0 1 355.322 3.433 20 5 FGBDMN COc1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000123680206 700708505 /nfs/dbraw/zinc/70/85/05/700708505.db2.gz ARVIDOHOFYSGGT-UHFFFAOYSA-N 0 1 360.750 3.197 20 5 FGBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCCNC1=O ZINC000123845969 700710776 /nfs/dbraw/zinc/71/07/76/700710776.db2.gz MSQIIEDENVVAMP-INIZCTEOSA-N 0 1 359.451 3.424 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000154658469 705044264 /nfs/dbraw/zinc/04/42/64/705044264.db2.gz SXZSDUDLAMSYGA-GOSISDBHSA-N 0 1 364.829 3.166 20 5 FGBDMN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000176635434 705581406 /nfs/dbraw/zinc/58/14/06/705581406.db2.gz BPFJLCCHXXFUBJ-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN CC(C)OCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194778516 713534107 /nfs/dbraw/zinc/53/41/07/713534107.db2.gz NNONRSOMRYBZKU-UHFFFAOYSA-N 0 1 350.396 3.321 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCC1CC1 ZINC000525188455 714328374 /nfs/dbraw/zinc/32/83/74/714328374.db2.gz KZJJYMFOWDZFBE-UHFFFAOYSA-N 0 1 353.227 3.370 20 5 FGBDMN C[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000577875108 714470343 /nfs/dbraw/zinc/47/03/43/714470343.db2.gz OAQOZMOMXXAHHW-LLVKDONJSA-N 0 1 361.423 3.213 20 5 FGBDMN C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC000579847955 714499173 /nfs/dbraw/zinc/49/91/73/714499173.db2.gz UOQFFBAGQUWEGM-CYBMUJFWSA-N 0 1 357.435 3.180 20 5 FGBDMN COC(=O)c1ccc(Cl)c(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000619509027 714846935 /nfs/dbraw/zinc/84/69/35/714846935.db2.gz KXCWYYKXWNWBGM-UHFFFAOYSA-N 0 1 364.785 3.203 20 5 FGBDMN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769517016 723688541 /nfs/dbraw/zinc/68/85/41/723688541.db2.gz YGTISXKMJXFPPY-NEPJUHHUSA-N 0 1 355.232 3.216 20 5 FGBDMN CN(C)C(=O)Sc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000780471734 724469591 /nfs/dbraw/zinc/46/95/91/724469591.db2.gz JXFDKBUUIFVMCN-UHFFFAOYSA-N 0 1 361.379 3.326 20 5 FGBDMN c1cnc2c(c1)ccc1ccc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)nc12 ZINC001164965822 722069756 /nfs/dbraw/zinc/06/97/56/722069756.db2.gz PAUDXXMLMNPXPY-KDURUIRLSA-N 0 1 360.461 3.082 20 5 FGBDMN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCCCC1 ZINC000784142788 724825050 /nfs/dbraw/zinc/82/50/50/724825050.db2.gz LCPONWFHASAFLC-UHFFFAOYSA-N 0 1 354.472 3.413 20 5 FGBDMN O=[N+]([O-])c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994208 722191874 /nfs/dbraw/zinc/19/18/74/722191874.db2.gz LTAMWRFJDNIXJZ-IBGZPJMESA-N 0 1 356.401 3.374 20 5 FGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccccc1Cn1cncn1 ZINC000740002519 722534722 /nfs/dbraw/zinc/53/47/22/722534722.db2.gz PNEDKGHPIXQWQN-UHFFFAOYSA-N 0 1 357.801 3.178 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000749691614 722737265 /nfs/dbraw/zinc/73/72/65/722737265.db2.gz QENOVJXMCKLXNW-HNNXBMFYSA-N 0 1 369.190 3.320 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(Cl)cc2C)c1 ZINC000758162016 722985237 /nfs/dbraw/zinc/98/52/37/722985237.db2.gz DNFLUOLUFBPYET-UHFFFAOYSA-N 0 1 355.803 3.369 20 5 FGBDMN Cc1cc(Cl)c(S(=O)(=O)NC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000760616760 723072047 /nfs/dbraw/zinc/07/20/47/723072047.db2.gz NWONCJHEPOGJOJ-UHFFFAOYSA-N 0 1 372.752 3.320 20 5 FGBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nc(Br)ccc1O ZINC000789923042 723084921 /nfs/dbraw/zinc/08/49/21/723084921.db2.gz MSOYDVWNBMEBNN-BAQGIRSFSA-N 0 1 364.155 3.110 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCS(=O)(=O)Cc1ccccc1 ZINC000765328369 723505683 /nfs/dbraw/zinc/50/56/83/723505683.db2.gz RJTAAPHQPRHJBY-HNNXBMFYSA-N 0 1 362.451 3.169 20 5 FGBDMN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N(C)C)cc1Cl ZINC000765453427 723514342 /nfs/dbraw/zinc/51/43/42/723514342.db2.gz OVJKMXOQGIONOG-AWEZNQCLSA-N 0 1 367.789 3.343 20 5 FGBDMN CSc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 ZINC000766749415 723590028 /nfs/dbraw/zinc/59/00/28/723590028.db2.gz CBRLDMFHNWAKGN-UHFFFAOYSA-N 0 1 359.816 3.166 20 5 FGBDMN CCSCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795868099 723612262 /nfs/dbraw/zinc/61/22/62/723612262.db2.gz NDMPGGLJOYPEPQ-QMMMGPOBSA-N 0 1 370.855 3.197 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnc1Cl ZINC000767701753 723629973 /nfs/dbraw/zinc/62/99/73/723629973.db2.gz MEUJRCCKIQCXRW-UHFFFAOYSA-N 0 1 371.802 3.069 20 5 FGBDMN CC(C)(C)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000768866432 723670194 /nfs/dbraw/zinc/67/01/94/723670194.db2.gz QSWHXEQMOQIKIO-QMMMGPOBSA-N 0 1 360.379 3.302 20 5 FGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000798894115 723972250 /nfs/dbraw/zinc/97/22/50/723972250.db2.gz AYTSXLLVFYTAIT-SSDOTTSWSA-N 0 1 372.164 3.414 20 5 FGBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000776604667 724163827 /nfs/dbraw/zinc/16/38/27/724163827.db2.gz DOCXHCGZOXUNRC-KRWDZBQOSA-N 0 1 359.813 3.466 20 5 FGBDMN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000800579206 724215196 /nfs/dbraw/zinc/21/51/96/724215196.db2.gz KFOWQKBCNFZYEM-GFCCVEGCSA-N 0 1 356.769 3.022 20 5 FGBDMN COC(=O)[C@](C)(CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000787428021 725028067 /nfs/dbraw/zinc/02/80/67/725028067.db2.gz HWMLMGXWOYHAFY-GOSISDBHSA-N 0 1 362.813 3.469 20 5 FGBDMN C[C@H]1Oc2ccccc2[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808338350 725195127 /nfs/dbraw/zinc/19/51/27/725195127.db2.gz RKSCJUKPFQQHBV-PSLIRLAXSA-N 0 1 368.798 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Cc1c(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000580813673 505843622 /nfs/dbraw/zinc/84/36/22/505843622.db2.gz KEXQOCMJNXOPPI-UTKZUKDTSA-N 0 1 370.449 3.445 20 5 FGBDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184777923 496528694 /nfs/dbraw/zinc/52/86/94/496528694.db2.gz XOSLWYQRHIPAPE-UHFFFAOYSA-N 0 1 361.354 3.391 20 5 FGBDMN C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000163730817 496552635 /nfs/dbraw/zinc/55/26/35/496552635.db2.gz DDAASCREOKFVPS-UZLBHIALSA-N 0 1 355.438 3.319 20 5 FGBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000181808640 496553286 /nfs/dbraw/zinc/55/32/86/496553286.db2.gz ODFDPXZAOKEYLN-PBHICJAKSA-N 0 1 369.421 3.194 20 5 FGBDMN COC(=O)COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000187742639 496554154 /nfs/dbraw/zinc/55/41/54/496554154.db2.gz ZNEQCDYRGSPNKE-UHFFFAOYSA-N 0 1 358.394 3.087 20 5 FGBDMN COc1cc(CNc2nnc(Cc3ccccc3F)o2)cc([N+](=O)[O-])c1O ZINC000181833861 496564603 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FGBDMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173367875 496660283 /nfs/dbraw/zinc/66/02/83/496660283.db2.gz NKVIPMNGJHZJIN-OXJNMPFZSA-N 0 1 367.449 3.479 20 5 FGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 ZINC000173392142 496672657 /nfs/dbraw/zinc/67/26/57/496672657.db2.gz ZEFGJRJJTLMWHK-GJZGRUSLSA-N 0 1 353.422 3.219 20 5 FGBDMN CSc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000176109370 496686526 /nfs/dbraw/zinc/68/65/26/496686526.db2.gz PEBUEZBPVSZVLG-UHFFFAOYSA-N 0 1 360.370 3.262 20 5 FGBDMN CCc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000176149918 496704771 /nfs/dbraw/zinc/70/47/71/496704771.db2.gz VJKQFFFBLAPECB-UHFFFAOYSA-N 0 1 356.357 3.145 20 5 FGBDMN Cc1ccc([C@H](C)NCCS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000268790162 496787176 /nfs/dbraw/zinc/78/71/76/496787176.db2.gz FRBLBLSHAXUTLB-HNNXBMFYSA-N 0 1 362.451 3.169 20 5 FGBDMN COc1cc(CNC2CC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000277624880 496833475 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FGBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000155753158 496057345 /nfs/dbraw/zinc/05/73/45/496057345.db2.gz WWQJLWOAXDUSPY-INIZCTEOSA-N 0 1 369.421 3.037 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000183639904 496057954 /nfs/dbraw/zinc/05/79/54/496057954.db2.gz MTZGXRKGGSQZNB-VIFPVBQESA-N 0 1 368.846 3.119 20 5 FGBDMN Cc1ccccc1CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000186615438 496073899 /nfs/dbraw/zinc/07/38/99/496073899.db2.gz JRMQVNQNXVUZHD-UHFFFAOYSA-N 0 1 372.406 3.235 20 5 FGBDMN CC1([C@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)OCCO1 ZINC000183835642 496130746 /nfs/dbraw/zinc/13/07/46/496130746.db2.gz QHAJUVHPZKRWBX-HNNXBMFYSA-N 0 1 373.409 3.225 20 5 FGBDMN COc1ccc([C@H](NCCn2cc([N+](=O)[O-])cn2)c2ccc(F)cc2)cc1 ZINC000174855662 496134897 /nfs/dbraw/zinc/13/48/97/496134897.db2.gz JQNNXPLOEIRRMV-LJQANCHMSA-N 0 1 370.384 3.318 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)CC(F)(F)F 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HJMOBJDFLRASLF-OAHLLOKOSA-N 0 1 356.426 3.284 20 5 FGBDMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835045 496566189 /nfs/dbraw/zinc/56/61/89/496566189.db2.gz KKPVWJPZIFXQLX-HUUCEWRRSA-N 0 1 371.437 3.440 20 5 FGBDMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000173324622 496643236 /nfs/dbraw/zinc/64/32/36/496643236.db2.gz YCURZUAYQBQKCA-GJZGRUSLSA-N 0 1 356.426 3.066 20 5 FGBDMN COC(=O)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000188101874 496683804 /nfs/dbraw/zinc/68/38/04/496683804.db2.gz UBJPNOGREKANHA-GUYCJALGSA-N 0 1 358.394 3.486 20 5 FGBDMN CSc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000176137110 496699834 /nfs/dbraw/zinc/69/98/34/496699834.db2.gz OCEZMSKJFSJOJD-UHFFFAOYSA-N 0 1 374.397 3.305 20 5 FGBDMN CSc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1[N+](=O)[O-] ZINC000188220486 496718839 /nfs/dbraw/zinc/71/88/39/496718839.db2.gz WELZKSAPRGYPAC-UHFFFAOYSA-N 0 1 359.367 3.256 20 5 FGBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000194857392 496737575 /nfs/dbraw/zinc/73/75/75/496737575.db2.gz DURLHBKLIBVZMV-GOSISDBHSA-N 0 1 361.398 3.147 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000277411630 496764771 /nfs/dbraw/zinc/76/47/71/496764771.db2.gz LSJKXSAWAXGHRV-ZJUUUORDSA-N 0 1 362.390 3.118 20 5 FGBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N(C)C ZINC000191733145 496871568 /nfs/dbraw/zinc/87/15/68/496871568.db2.gz ZQQNIOVXGJGXGI-JTQLQIEISA-N 0 1 351.790 3.075 20 5 FGBDMN Cc1c([C@@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000189057936 496994177 /nfs/dbraw/zinc/99/41/77/496994177.db2.gz BIJFYYHEALPENI-KDOFPFPSSA-N 0 1 371.412 3.494 20 5 FGBDMN Cc1csc(C2(NCCC(=O)Nc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000274129389 497023369 /nfs/dbraw/zinc/02/33/69/497023369.db2.gz YCJNWFFDWYOTCL-UHFFFAOYSA-N 0 1 360.439 3.357 20 5 FGBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000274333789 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CC(C)Oc1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000442238799 500574704 /nfs/dbraw/zinc/57/47/04/500574704.db2.gz DCPWUCYOLLRPLC-UHFFFAOYSA-N 0 1 372.349 3.461 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)[C@H]2CO)cc1OC ZINC000442882215 500639378 /nfs/dbraw/zinc/63/93/78/500639378.db2.gz COVADPGIHGACNN-GRDNDAEWSA-N 0 1 366.458 3.231 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000447724806 500654065 /nfs/dbraw/zinc/65/40/65/500654065.db2.gz YMHCVVWKJHZPDY-CYBMUJFWSA-N 0 1 373.413 3.079 20 5 FGBDMN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000437533359 500657400 /nfs/dbraw/zinc/65/74/00/500657400.db2.gz BWRJLPXGXZUOHP-UVBJJODRSA-N 0 1 363.377 3.368 20 5 FGBDMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000447789141 500661934 /nfs/dbraw/zinc/66/19/34/500661934.db2.gz RCIIZNUMYIEZRQ-UHFFFAOYSA-N 0 1 372.786 3.066 20 5 FGBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000434024372 500783193 /nfs/dbraw/zinc/78/31/93/500783193.db2.gz IAFNKYPTOCGQQS-HNNXBMFYSA-N 0 1 374.441 3.161 20 5 FGBDMN Cn1cccc1[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448616200 500786534 /nfs/dbraw/zinc/78/65/34/500786534.db2.gz OMANDNNFYSOOIZ-GOSISDBHSA-N 0 1 365.393 3.301 20 5 FGBDMN CN(C(=O)CN1CC[C@](C)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000438494735 500792992 /nfs/dbraw/zinc/79/29/92/500792992.db2.gz FXBIZUWFWVTCNS-FQEVSTJZSA-N 0 1 353.422 3.221 20 5 FGBDMN CN(C)CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000448820649 500843656 /nfs/dbraw/zinc/84/36/56/500843656.db2.gz CNUXISPBFPLUKH-UHFFFAOYSA-N 0 1 369.421 3.153 20 5 FGBDMN CN(C)C(=O)c1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449495117 501017967 /nfs/dbraw/zinc/01/79/67/501017967.db2.gz CDDRSXKXUBRADS-HNNXBMFYSA-N 0 1 356.426 3.004 20 5 FGBDMN Cc1cc(OCC(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000435818438 501033598 /nfs/dbraw/zinc/03/35/98/501033598.db2.gz OZPNELNQQXEZMO-UHFFFAOYSA-N 0 1 354.721 3.419 20 5 FGBDMN Cn1nc(C(=O)OC(C)(C)C)cc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602611883 506231941 /nfs/dbraw/zinc/23/19/41/506231941.db2.gz MHPCJUBRVJLGPC-UHFFFAOYSA-N 0 1 374.441 3.309 20 5 FGBDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449745853 501074001 /nfs/dbraw/zinc/07/40/01/501074001.db2.gz PJKGJFVDDDRRIN-OAHLLOKOSA-N 0 1 372.425 3.090 20 5 FGBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000598936804 506235415 /nfs/dbraw/zinc/23/54/15/506235415.db2.gz CHCJOMSSGQWCCH-SIIHOXLZSA-N 0 1 368.437 3.390 20 5 FGBDMN O=[N+]([O-])c1cc2ccccc2nc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC000436424069 501124844 /nfs/dbraw/zinc/12/48/44/501124844.db2.gz CQYYFYGMUGTWJQ-UHFFFAOYSA-N 0 1 360.377 3.005 20 5 FGBDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)c(Br)cc1[N+](=O)[O-] ZINC000450630213 501170110 /nfs/dbraw/zinc/17/01/10/501170110.db2.gz UGUOMXILENFKDV-UHFFFAOYSA-N 0 1 352.192 3.273 20 5 FGBDMN C[C@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000436826739 501217387 /nfs/dbraw/zinc/21/73/87/501217387.db2.gz LSZYTXHAOQTHPL-HXUWFJFHSA-N 0 1 369.421 3.085 20 5 FGBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451019202 501239546 /nfs/dbraw/zinc/23/95/46/501239546.db2.gz RARZVCZDDLONOD-OAHLLOKOSA-N 0 1 360.805 3.158 20 5 FGBDMN CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592783776 506243188 /nfs/dbraw/zinc/24/31/88/506243188.db2.gz RWUZIAIUHXUZEA-SECBINFHSA-N 0 1 352.778 3.303 20 5 FGBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451535736 501315984 /nfs/dbraw/zinc/31/59/84/501315984.db2.gz PULGSKORNXUFFJ-BXKDBHETSA-N 0 1 368.315 3.398 20 5 FGBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCCc1ccccc1 ZINC000453347604 501318291 /nfs/dbraw/zinc/31/82/91/501318291.db2.gz OEKLBGQUSGBOEP-MGPUTAFESA-N 0 1 367.449 3.309 20 5 FGBDMN CC1(F)CC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000451635176 501340994 /nfs/dbraw/zinc/34/09/94/501340994.db2.gz WZOIVMIPKYRMCD-UHFFFAOYSA-N 0 1 357.190 3.071 20 5 FGBDMN Cc1c(CN(CCC(N)=O)[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000451721835 501360132 /nfs/dbraw/zinc/36/01/32/501360132.db2.gz GUWFAHBQLPLTLR-SFHVURJKSA-N 0 1 369.421 3.104 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452172358 501452390 /nfs/dbraw/zinc/45/23/90/501452390.db2.gz WJXNNKAWMAWULL-KGLIPLIRSA-N 0 1 363.483 3.018 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456317582 501496365 /nfs/dbraw/zinc/49/63/65/501496365.db2.gz AWEZJNRDXFKJGI-INIZCTEOSA-N 0 1 367.449 3.497 20 5 FGBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000456324298 501498024 /nfs/dbraw/zinc/49/80/24/501498024.db2.gz FGDLZLIUMYXQLN-AWEZNQCLSA-N 0 1 359.451 3.250 20 5 FGBDMN CC(C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCCC1 ZINC000459534444 501671304 /nfs/dbraw/zinc/67/13/04/501671304.db2.gz QESCMYAGNCDVFW-KRWDZBQOSA-N 0 1 374.441 3.312 20 5 FGBDMN CC(C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCCC1 ZINC000459541100 501672741 /nfs/dbraw/zinc/67/27/41/501672741.db2.gz YOEBKJWUWGORIC-KRWDZBQOSA-N 0 1 374.441 3.312 20 5 FGBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459632452 501689780 /nfs/dbraw/zinc/68/97/80/501689780.db2.gz JYXYHJTZXVWMGL-LLVKDONJSA-N 0 1 360.439 3.219 20 5 FGBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457389802 501692204 /nfs/dbraw/zinc/69/22/04/501692204.db2.gz YEHCURHTVUBRSF-LBPRGKRZSA-N 0 1 374.788 3.215 20 5 FGBDMN CCCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592829573 506269400 /nfs/dbraw/zinc/26/94/00/506269400.db2.gz QTAOATAMRXJBKE-INIZCTEOSA-N 0 1 368.437 3.213 20 5 FGBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000474207481 501744638 /nfs/dbraw/zinc/74/46/38/501744638.db2.gz KPTOMIUVNWIPDZ-VXGBXAGGSA-N 0 1 352.387 3.204 20 5 FGBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1C ZINC000485178153 501748737 /nfs/dbraw/zinc/74/87/37/501748737.db2.gz MOOCUYOOWACASX-QWRGUYRKSA-N 0 1 357.252 3.427 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000592832015 506271742 /nfs/dbraw/zinc/27/17/42/506271742.db2.gz PYGQDYUWOUYGHR-GOSISDBHSA-N 0 1 360.389 3.257 20 5 FGBDMN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470676582 501763652 /nfs/dbraw/zinc/76/36/52/501763652.db2.gz DKGPOTASNDMTAW-GOSISDBHSA-N 0 1 371.412 3.471 20 5 FGBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000474346411 501798904 /nfs/dbraw/zinc/79/89/04/501798904.db2.gz QBCXTPDINRVSGY-ZDUSSCGKSA-N 0 1 374.393 3.006 20 5 FGBDMN O=C(NC[C@@H]1CCCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481657416 501842377 /nfs/dbraw/zinc/84/23/77/501842377.db2.gz NOEURWYQAPTFJY-ZDUSSCGKSA-N 0 1 350.378 3.321 20 5 FGBDMN COc1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000485568521 501862943 /nfs/dbraw/zinc/86/29/43/501862943.db2.gz KBOLXQGIYGFMNH-OAHLLOKOSA-N 0 1 367.409 3.026 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000482013719 501947333 /nfs/dbraw/zinc/94/73/33/501947333.db2.gz OXIINJWDWZHGQC-UHFFFAOYSA-N 0 1 370.789 3.355 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c1 ZINC000468221479 501994177 /nfs/dbraw/zinc/99/41/77/501994177.db2.gz OBRKQIJPEGLTSA-UHFFFAOYSA-N 0 1 373.369 3.493 20 5 FGBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000478735682 502070935 /nfs/dbraw/zinc/07/09/35/502070935.db2.gz IDGYWGQYWDRDEW-UHFFFAOYSA-N 0 1 356.407 3.475 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1C ZINC000479142988 502175520 /nfs/dbraw/zinc/17/55/20/502175520.db2.gz RYLQMFYNRKRSRB-ZDUSSCGKSA-N 0 1 366.361 3.221 20 5 FGBDMN CC(C)c1ccc(CNCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475483912 502185176 /nfs/dbraw/zinc/18/51/76/502185176.db2.gz BWMFZRGCLGDMLO-UHFFFAOYSA-N 0 1 353.422 3.350 20 5 FGBDMN C[C@@H]1CC2(CN1C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)CCOCC2 ZINC000592895986 506298835 /nfs/dbraw/zinc/29/88/35/506298835.db2.gz ZEMLIEHGXSWMAZ-CYBMUJFWSA-N 0 1 370.409 3.016 20 5 FGBDMN Cc1cc(NCc2c3c(nn2C)CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000461883321 502223238 /nfs/dbraw/zinc/22/32/38/502223238.db2.gz AOPFGUWZOWDPOS-UHFFFAOYSA-N 0 1 351.410 3.098 20 5 FGBDMN Cc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939162 502245094 /nfs/dbraw/zinc/24/50/94/502245094.db2.gz FTXMPAZOFGGZLU-HZPDHXFCSA-N 0 1 359.401 3.090 20 5 FGBDMN Cc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939159 502245483 /nfs/dbraw/zinc/24/54/83/502245483.db2.gz FTXMPAZOFGGZLU-HOTGVXAUSA-N 0 1 359.401 3.090 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479502040 502278978 /nfs/dbraw/zinc/27/89/78/502278978.db2.gz MFVAQQKILIAFSB-CABCVRRESA-N 0 1 353.422 3.485 20 5 FGBDMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3ccccc3[N+](=O)[O-])cccc21 ZINC000469346058 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VJJQMGJOQYZNQV-ZETCQYMHSA-N 0 1 359.169 3.374 20 5 FGBDMN O=c1[nH]nc([C@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)o1 ZINC000589597809 506596045 /nfs/dbraw/zinc/59/60/45/506596045.db2.gz VJJQMGJOQYZNQV-ZETCQYMHSA-N 0 1 359.169 3.374 20 5 FGBDMN CCN1C[C@H](CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603845380 506631937 /nfs/dbraw/zinc/63/19/37/506631937.db2.gz QTOLECNUCLUXRY-INIZCTEOSA-N 0 1 371.437 3.323 20 5 FGBDMN O=C([O-])C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000593744434 506757585 /nfs/dbraw/zinc/75/75/85/506757585.db2.gz PUSGVMMLVXAEAJ-UHFFFAOYSA-N 0 1 362.357 3.090 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1[N+](=O)[O-] ZINC000593830088 506794095 /nfs/dbraw/zinc/79/40/95/506794095.db2.gz XDBHSNXAPLKIHL-ZDUSSCGKSA-N 0 1 360.389 3.257 20 5 FGBDMN COc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000590744962 506934975 /nfs/dbraw/zinc/93/49/75/506934975.db2.gz XMQRSUWGTQUHHC-UHFFFAOYSA-N 0 1 365.411 3.225 20 5 FGBDMN O=C(N[C@H](Cc1ccccc1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609912742 507047267 /nfs/dbraw/zinc/04/72/67/507047267.db2.gz MIJVQABNVMUXTL-QGZVFWFLSA-N 0 1 350.378 3.222 20 5 FGBDMN C[C@H]1CN(Cc2ccccc2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000609916237 507049227 /nfs/dbraw/zinc/04/92/27/507049227.db2.gz OWOUIDATZOHZSH-KRWDZBQOSA-N 0 1 355.438 3.180 20 5 FGBDMN CCC(C)(C)N1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594389878 507109533 /nfs/dbraw/zinc/10/95/33/507109533.db2.gz PKVQTAXDEDJPCW-ZDUSSCGKSA-N 0 1 351.422 3.170 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1C(=O)[O-] ZINC000600799000 507127242 /nfs/dbraw/zinc/12/72/42/507127242.db2.gz CTBGXGBSQYNNCR-XHDPSFHLSA-N 0 1 361.423 3.261 20 5 FGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000600839841 507142854 /nfs/dbraw/zinc/14/28/54/507142854.db2.gz RMRCRIOHGHSIHN-DYVFJYSZSA-N 0 1 356.426 3.421 20 5 FGBDMN CCC(CC)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610260882 507165668 /nfs/dbraw/zinc/16/56/68/507165668.db2.gz YNFGQILUYGXLPD-INIZCTEOSA-N 0 1 363.439 3.446 20 5 FGBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)cc1C(F)(F)F ZINC000594590523 507199849 /nfs/dbraw/zinc/19/98/49/507199849.db2.gz XRMFLJNUGWSFKU-LLVKDONJSA-N 0 1 357.292 3.195 20 5 FGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000610338004 507199935 /nfs/dbraw/zinc/19/99/35/507199935.db2.gz QRKPRLUBTCSSAQ-UHFFFAOYSA-N 0 1 357.757 3.215 20 5 FGBDMN O=C([O-])[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000594733660 507259976 /nfs/dbraw/zinc/25/99/76/507259976.db2.gz AZSLAADSDHVUMF-RCCFBDPRSA-N 0 1 362.426 3.329 20 5 FGBDMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000594733814 507260254 /nfs/dbraw/zinc/26/02/54/507260254.db2.gz HFOBIRBNNBDTNH-HRCADAONSA-N 0 1 362.426 3.459 20 5 FGBDMN Cc1ccc2cc(CN[C@@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000601150297 507278813 /nfs/dbraw/zinc/27/88/13/507278813.db2.gz VAMYMJAPVPCYOZ-FQEVSTJZSA-N 0 1 351.406 3.449 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279318 507319450 /nfs/dbraw/zinc/31/94/50/507319450.db2.gz DSSSEWLGQBOILR-PBHICJAKSA-N 0 1 371.412 3.374 20 5 FGBDMN COc1ccccc1[C@@H](N)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591681180 507330265 /nfs/dbraw/zinc/33/02/65/507330265.db2.gz VOTRVDBKHBDWRS-INIZCTEOSA-N 0 1 371.437 3.331 20 5 FGBDMN O=C(c1n[nH]cc1C(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601354944 507343230 /nfs/dbraw/zinc/34/32/30/507343230.db2.gz XTBFPYSGZXQYOD-UHFFFAOYSA-N 0 1 354.288 3.142 20 5 FGBDMN CN1c2ccccc2C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000595058774 507372285 /nfs/dbraw/zinc/37/22/85/507372285.db2.gz CEDQFMNSZXPIBU-MSOLQXFVSA-N 0 1 351.406 3.150 20 5 FGBDMN COc1cc(F)c([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000610786754 507389494 /nfs/dbraw/zinc/38/94/94/507389494.db2.gz FNIHVBXMBRSWCZ-JTQLQIEISA-N 0 1 350.346 3.308 20 5 FGBDMN Cc1noc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000595392946 507479158 /nfs/dbraw/zinc/47/91/58/507479158.db2.gz MQHKNSPSAQPWCD-ZDUSSCGKSA-N 0 1 354.370 3.013 20 5 FGBDMN Cc1noc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000595392946 507479161 /nfs/dbraw/zinc/47/91/61/507479161.db2.gz MQHKNSPSAQPWCD-ZDUSSCGKSA-N 0 1 354.370 3.013 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccccc2Cl)CC1 ZINC000592137168 507501435 /nfs/dbraw/zinc/50/14/35/507501435.db2.gz FAVWTTROIKWIPF-ZDUSSCGKSA-N 0 1 362.813 3.267 20 5 FGBDMN Cc1c(Br)cc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592356832 507614774 /nfs/dbraw/zinc/61/47/74/507614774.db2.gz FWRQOIWRRFANQN-JTQLQIEISA-N 0 1 353.176 3.140 20 5 FGBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)c1ccccc1 ZINC000585754500 507616666 /nfs/dbraw/zinc/61/66/66/507616666.db2.gz PTEMAVGKFCIIFP-UHFFFAOYSA-N 0 1 353.422 3.351 20 5 FGBDMN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000614771075 507647236 /nfs/dbraw/zinc/64/72/36/507647236.db2.gz RIKOSDOOPHKBKK-HNAYVOBHSA-N 0 1 357.458 3.156 20 5 FGBDMN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000595913623 507741319 /nfs/dbraw/zinc/74/13/19/507741319.db2.gz IUADNWMYAKVOLL-CYBMUJFWSA-N 0 1 361.423 3.218 20 5 FGBDMN C[C@@H](C(=O)Nc1ccn(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541623751 562616769 /nfs/dbraw/zinc/61/67/69/562616769.db2.gz ICCHXBFLGDKNPB-LLVKDONJSA-N 0 1 355.329 3.057 20 5 FGBDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833812585 605604496 /nfs/dbraw/zinc/60/44/96/605604496.db2.gz KJKUJDWCKXHRDQ-QWRGUYRKSA-N 0 1 373.356 3.064 20 5 FGBDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833812585 605604500 /nfs/dbraw/zinc/60/45/00/605604500.db2.gz KJKUJDWCKXHRDQ-QWRGUYRKSA-N 0 1 373.356 3.064 20 5 FGBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000832239943 605940847 /nfs/dbraw/zinc/94/08/47/605940847.db2.gz RHCCDHVOAOTCFR-AGUYFDCRSA-N 0 1 353.806 3.401 20 5 FGBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000832239943 605940849 /nfs/dbraw/zinc/94/08/49/605940849.db2.gz RHCCDHVOAOTCFR-AGUYFDCRSA-N 0 1 353.806 3.401 20 5 FGBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000122440925 700690141 /nfs/dbraw/zinc/69/01/41/700690141.db2.gz LHVLZYNSVIQMSW-FMKPAKJESA-N 0 1 367.877 3.322 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000135685861 704851794 /nfs/dbraw/zinc/85/17/94/704851794.db2.gz DLXGYACZCOMJBR-UHFFFAOYSA-N 0 1 365.367 3.175 20 5 FGBDMN CCS[C@H]1CCCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153112567 704985801 /nfs/dbraw/zinc/98/58/01/704985801.db2.gz YVIFQUMKLONPAH-INIZCTEOSA-N 0 1 361.471 3.418 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000180159453 705730150 /nfs/dbraw/zinc/73/01/50/705730150.db2.gz GFSADFWHEHKANE-UHFFFAOYSA-N 0 1 365.367 3.229 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000521767375 714146651 /nfs/dbraw/zinc/14/66/51/714146651.db2.gz HKDNUNWTHNUWJT-CYBMUJFWSA-N 0 1 370.789 3.353 20 5 FGBDMN O=[N+]([O-])c1ccc(CNc2nc3ccc(Br)cc3[nH]2)c(F)c1 ZINC000618616409 714762174 /nfs/dbraw/zinc/76/21/74/714762174.db2.gz DAOZKGHUUCYNGF-UHFFFAOYSA-N 0 1 365.162 3.407 20 5 FGBDMN Cc1ccc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1Br ZINC000804454879 724519515 /nfs/dbraw/zinc/51/95/15/724519515.db2.gz UKZNVJGCIQAURP-UHFFFAOYSA-N 0 1 354.248 3.340 20 5 FGBDMN Cn1cc(C(C)(C)NCc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000742374006 722556633 /nfs/dbraw/zinc/55/66/33/722556633.db2.gz OFLZFLIPFSOPPY-UHFFFAOYSA-N 0 1 353.220 3.116 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000754425872 722938339 /nfs/dbraw/zinc/93/83/39/722938339.db2.gz NHLFFSCZWFKHLN-DTWKUNHWSA-N 0 1 351.794 3.371 20 5 FGBDMN Cc1cc(F)cc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000758409651 722989282 /nfs/dbraw/zinc/98/92/82/722989282.db2.gz BDKMOAZGDFKNCC-CQSZACIVSA-N 0 1 351.403 3.137 20 5 FGBDMN Cc1ccc(N2CC[C@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000761527988 723162712 /nfs/dbraw/zinc/16/27/12/723162712.db2.gz WLAYOQVCMYLQNB-INIZCTEOSA-N 0 1 359.813 3.452 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000769671753 723691830 /nfs/dbraw/zinc/69/18/30/723691830.db2.gz DOPGVMZOMDIKOQ-UHFFFAOYSA-N 0 1 365.367 3.175 20 5 FGBDMN COc1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1F ZINC000769890819 723699260 /nfs/dbraw/zinc/69/92/60/723699260.db2.gz PNQJRLCXFYXWEU-UHFFFAOYSA-N 0 1 354.359 3.160 20 5 FGBDMN Cc1ccc(CN[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000769934681 723701303 /nfs/dbraw/zinc/70/13/03/723701303.db2.gz UFEOSVGHZDBAOK-HNNXBMFYSA-N 0 1 365.227 3.489 20 5 FGBDMN C/C(=C\C(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000784619367 724868565 /nfs/dbraw/zinc/86/85/65/724868565.db2.gz ZOCJWYJWPICJQZ-RTGRKSDTSA-N 0 1 359.451 3.479 20 5 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O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000130431077 495391513 /nfs/dbraw/zinc/39/15/13/495391513.db2.gz IFLGOBSVTMCXFT-UHFFFAOYSA-N 0 1 361.442 3.029 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(Cl)c1Cl ZINC000580553224 505785351 /nfs/dbraw/zinc/78/53/51/505785351.db2.gz XUKGKEZPUDAGRK-GFCCVEGCSA-N 0 1 371.220 3.431 20 5 FGBDMN Cc1cccnc1[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000120962238 495492860 /nfs/dbraw/zinc/49/28/60/495492860.db2.gz OQQQVOADLKSIDH-ZWKOTPCHSA-N 0 1 368.437 3.390 20 5 FGBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1Cc2ccccc2C1 ZINC000141273818 495504654 /nfs/dbraw/zinc/50/46/54/495504654.db2.gz VSHGNRMQTMRGMU-UHFFFAOYSA-N 0 1 359.813 3.286 20 5 FGBDMN Cc1cccc(C(C)(C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182427464 495560084 /nfs/dbraw/zinc/56/00/84/495560084.db2.gz FDWGKJBNMYZMIN-UHFFFAOYSA-N 0 1 362.451 3.202 20 5 FGBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000182426666 495560248 /nfs/dbraw/zinc/56/02/48/495560248.db2.gz HRKMGQAOBOINQI-AAEUAGOBSA-N 0 1 368.792 3.478 20 5 FGBDMN COc1cc(F)cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000179432568 495589017 /nfs/dbraw/zinc/58/90/17/495589017.db2.gz DMMSVHJBULXMKC-UHFFFAOYSA-N 0 1 370.384 3.433 20 5 FGBDMN Cc1c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cccc1[N+](=O)[O-] ZINC000179635348 495670851 /nfs/dbraw/zinc/67/08/51/495670851.db2.gz UZGCIXRCLZVBPQ-ZDUSSCGKSA-N 0 1 370.413 3.310 20 5 FGBDMN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171009497 495687933 /nfs/dbraw/zinc/68/79/33/495687933.db2.gz RBDKOVGJVZCFDM-IRXDYDNUSA-N 0 1 366.377 3.121 20 5 FGBDMN Nc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000176627030 495726152 /nfs/dbraw/zinc/72/61/52/495726152.db2.gz XAOBDHLPVQNQEA-UHFFFAOYSA-N 0 1 374.360 3.368 20 5 FGBDMN Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000182873603 495736404 /nfs/dbraw/zinc/73/64/04/495736404.db2.gz JBHFWUIWFVSYCN-CYBMUJFWSA-N 0 1 371.393 3.230 20 5 FGBDMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000151104806 495738587 /nfs/dbraw/zinc/73/85/87/495738587.db2.gz VVIWWCBOOMVXFS-AWEZNQCLSA-N 0 1 357.410 3.453 20 5 FGBDMN C[C@@H](CO[C@@H]1CCOC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151172034 495761180 /nfs/dbraw/zinc/76/11/80/495761180.db2.gz FZGXICSQRPEDQO-BLLLJJGKSA-N 0 1 363.439 3.002 20 5 FGBDMN Cc1csc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)n1 ZINC000173995471 495781363 /nfs/dbraw/zinc/78/13/63/495781363.db2.gz PSDKQUOXXCYALS-CYBMUJFWSA-N 0 1 357.395 3.117 20 5 FGBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccs1 ZINC000159987538 495857116 /nfs/dbraw/zinc/85/71/16/495857116.db2.gz YKOSAYULKNEYJO-VIFPVBQESA-N 0 1 361.832 3.134 20 5 FGBDMN COC[C@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180139610 495874926 /nfs/dbraw/zinc/87/49/26/495874926.db2.gz VTKXZYYHSCPFNX-LBPRGKRZSA-N 0 1 374.384 3.106 20 5 FGBDMN CN1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180170687 495890342 /nfs/dbraw/zinc/89/03/42/495890342.db2.gz SKRUJTYJQSZPJH-WBVHZDCISA-N 0 1 359.813 3.423 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000180201391 495903211 /nfs/dbraw/zinc/90/32/11/495903211.db2.gz ZCEBOBYQRAJNDQ-AEFFLSMTSA-N 0 1 371.462 3.492 20 5 FGBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000174342133 495918249 /nfs/dbraw/zinc/91/82/49/495918249.db2.gz ZUCCBGARVHZNSU-SECBINFHSA-N 0 1 360.320 3.283 20 5 FGBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[nH]1 ZINC000171548493 495923016 /nfs/dbraw/zinc/92/30/16/495923016.db2.gz FYBCYUZGPZHAEW-UHFFFAOYSA-N 0 1 355.379 3.425 20 5 FGBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC000171548493 495923022 /nfs/dbraw/zinc/92/30/22/495923022.db2.gz FYBCYUZGPZHAEW-UHFFFAOYSA-N 0 1 355.379 3.425 20 5 FGBDMN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186298654 495934218 /nfs/dbraw/zinc/93/42/18/495934218.db2.gz VSRLXFYAPVJYAF-QGZVFWFLSA-N 0 1 368.437 3.035 20 5 FGBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc([N+](=O)[O-])c1 ZINC000180321510 495950654 /nfs/dbraw/zinc/95/06/54/495950654.db2.gz OWUYTLXKLKRRDA-UHFFFAOYSA-N 0 1 368.349 3.209 20 5 FGBDMN Cc1cccc2nc(CNC(=O)CSc3ccccc3[N+](=O)[O-])[nH]c21 ZINC000160402158 495954681 /nfs/dbraw/zinc/95/46/81/495954681.db2.gz YVTPWPGOVVGLFD-UHFFFAOYSA-N 0 1 356.407 3.188 20 5 FGBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000171682949 495987634 /nfs/dbraw/zinc/98/76/34/495987634.db2.gz JAWXBUZOZVVRMG-UHFFFAOYSA-N 0 1 356.220 3.170 20 5 FGBDMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180457244 496004014 /nfs/dbraw/zinc/00/40/14/496004014.db2.gz SIHWDLUICCXVKN-AWEZNQCLSA-N 0 1 370.409 3.211 20 5 FGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152297335 496107969 /nfs/dbraw/zinc/10/79/69/496107969.db2.gz LVUHIBDXALJLEY-KRWDZBQOSA-N 0 1 357.410 3.074 20 5 FGBDMN CC1([C@@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)OCCO1 ZINC000183835624 496130446 /nfs/dbraw/zinc/13/04/46/496130446.db2.gz QHAJUVHPZKRWBX-OAHLLOKOSA-N 0 1 373.409 3.225 20 5 FGBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161227861 496132364 /nfs/dbraw/zinc/13/23/64/496132364.db2.gz IJBXIZPIJMIHNN-UHFFFAOYSA-N 0 1 366.352 3.323 20 5 FGBDMN Cc1ccc2nc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000174896087 496153567 /nfs/dbraw/zinc/15/35/67/496153567.db2.gz DIFAUYGGTOWSRL-UHFFFAOYSA-N 0 1 358.785 3.292 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccccc3[N+](=O)[O-])c2C)o1 ZINC000161368315 496160979 /nfs/dbraw/zinc/16/09/79/496160979.db2.gz XBGNRAYMXKZARG-UHFFFAOYSA-N 0 1 356.338 3.212 20 5 FGBDMN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000180922288 496200819 /nfs/dbraw/zinc/20/08/19/496200819.db2.gz POFHRYMFOFHYOO-KUHUBIRLSA-N 0 1 369.421 3.055 20 5 FGBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CC2)CC1 ZINC000180991886 496232322 /nfs/dbraw/zinc/23/23/22/496232322.db2.gz LEVRCUZORUQICO-UHFFFAOYSA-N 0 1 363.483 3.406 20 5 FGBDMN Cc1ccc(S(=O)(=O)C[C@H](C)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000152728949 496238411 /nfs/dbraw/zinc/23/84/11/496238411.db2.gz XJOJGNVIDODVLY-YERXGYGTSA-N 0 1 374.462 3.368 20 5 FGBDMN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000181195722 496307396 /nfs/dbraw/zinc/30/73/96/496307396.db2.gz DPRFIUHCVUKGHF-UHFFFAOYSA-N 0 1 361.301 3.118 20 5 FGBDMN Cc1cccc(Oc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000153228357 496389237 /nfs/dbraw/zinc/38/92/37/496389237.db2.gz RDTAHRBSTPJPOE-UHFFFAOYSA-N 0 1 352.350 3.349 20 5 FGBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCCCC1 ZINC000187357724 496407688 /nfs/dbraw/zinc/40/76/88/496407688.db2.gz VAEBLLGYCROTBD-UHFFFAOYSA-N 0 1 369.849 3.204 20 5 FGBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178436380 496455737 /nfs/dbraw/zinc/45/57/37/496455737.db2.gz PIPNKWHTVYNHLY-VWLOTQADSA-N 0 1 362.451 3.233 20 5 FGBDMN Cc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835693 496566111 /nfs/dbraw/zinc/56/61/11/496566111.db2.gz WWOMUUZXACNYNC-INIZCTEOSA-N 0 1 355.438 3.221 20 5 FGBDMN COc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000181838358 496567565 /nfs/dbraw/zinc/56/75/65/496567565.db2.gz FYOUXXTZFMSRSJ-CYBMUJFWSA-N 0 1 373.409 3.210 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](Nc2ccccc2)C1 ZINC000163938822 496572185 /nfs/dbraw/zinc/57/21/85/496572185.db2.gz BOWSAUATXUMYNW-AWEZNQCLSA-N 0 1 365.393 3.188 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000181888362 496587184 /nfs/dbraw/zinc/58/71/84/496587184.db2.gz BQLOGUJYFPDERG-WMZOPIPTSA-N 0 1 374.462 3.125 20 5 FGBDMN C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000164820959 496634274 /nfs/dbraw/zinc/63/42/74/496634274.db2.gz RWLIEHFMEJDURX-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185068776 496645563 /nfs/dbraw/zinc/64/55/63/496645563.db2.gz HHUOYYGUFVAFMU-GFCCVEGCSA-N 0 1 364.427 3.129 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CCO)c3ccco3)o2)c1 ZINC000185091430 496655829 /nfs/dbraw/zinc/65/58/29/496655829.db2.gz BHUZXFRACWVQAH-HNNXBMFYSA-N 0 1 357.366 3.099 20 5 FGBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182175126 496697553 /nfs/dbraw/zinc/69/75/53/496697553.db2.gz HGESWVYVKONZJD-GFCCVEGCSA-N 0 1 368.842 3.373 20 5 FGBDMN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000188257538 496732167 /nfs/dbraw/zinc/73/21/67/496732167.db2.gz WWAVZEWPHZYOSN-WBVHZDCISA-N 0 1 371.462 3.492 20 5 FGBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000273504434 496825109 /nfs/dbraw/zinc/82/51/09/496825109.db2.gz VWEUOMNFSURRSF-CQSZACIVSA-N 0 1 352.391 3.220 20 5 FGBDMN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000277641897 496838157 /nfs/dbraw/zinc/83/81/57/496838157.db2.gz PZSIIXVBLKZECX-UHFFFAOYSA-N 0 1 366.395 3.030 20 5 FGBDMN COc1cc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000188629843 496857930 /nfs/dbraw/zinc/85/79/30/496857930.db2.gz ZVBSKVSPZGDKMJ-UHFFFAOYSA-N 0 1 354.366 3.027 20 5 FGBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000269081466 496866185 /nfs/dbraw/zinc/86/61/85/496866185.db2.gz XOZKUJNMSSLCQT-MRVPVSSYSA-N 0 1 356.304 3.006 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[nH]1 ZINC000277725482 496866792 /nfs/dbraw/zinc/86/67/92/496866792.db2.gz GCDAMQNQYJBNLS-NWDGAFQWSA-N 0 1 370.413 3.059 20 5 FGBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000195334351 496892586 /nfs/dbraw/zinc/89/25/86/496892586.db2.gz NPAWVPFXAKHINC-MRXNPFEDSA-N 0 1 373.457 3.377 20 5 FGBDMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CCC2 ZINC000269396539 496937763 /nfs/dbraw/zinc/93/77/63/496937763.db2.gz MZLIYEMUKKTHFI-NSHDSACASA-N 0 1 363.443 3.356 20 5 FGBDMN CCCCCc1nnc(NC(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])s1 ZINC000264617692 496944342 /nfs/dbraw/zinc/94/43/42/496944342.db2.gz RUESJUFHHAIZIZ-UHFFFAOYSA-N 0 1 352.420 3.107 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000277975299 496956919 /nfs/dbraw/zinc/95/69/19/496956919.db2.gz VIYDZPRJBMUPDX-IUCAKERBSA-N 0 1 351.794 3.371 20 5 FGBDMN CSCc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000189304206 497074951 /nfs/dbraw/zinc/07/49/51/497074951.db2.gz FODYDOOHSYZHNA-UHFFFAOYSA-N 0 1 356.407 3.264 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192354102 497085115 /nfs/dbraw/zinc/08/51/15/497085115.db2.gz CFVOIQMEYJWMCG-INIZCTEOSA-N 0 1 355.394 3.215 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000266044532 497240003 /nfs/dbraw/zinc/24/00/03/497240003.db2.gz WYCJXJMBMPVOHD-OAHLLOKOSA-N 0 1 361.442 3.123 20 5 FGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000271337573 497324171 /nfs/dbraw/zinc/32/41/71/497324171.db2.gz ZSVWYKDGMRTPSO-UHFFFAOYSA-N 0 1 365.340 3.416 20 5 FGBDMN COc1ccc(CN[C@H](C)c2cnc3cc(C)nn3c2C)cc1[N+](=O)[O-] ZINC000271343729 497324744 /nfs/dbraw/zinc/32/47/44/497324744.db2.gz CLDHMTLUYNONPE-GFCCVEGCSA-N 0 1 355.398 3.114 20 5 FGBDMN O=C(CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255133818 497359560 /nfs/dbraw/zinc/35/95/60/497359560.db2.gz YPZZMIQDDSCZTO-ALCCZGGFSA-N 0 1 357.454 3.333 20 5 FGBDMN CC(C)[C@@H](C)NC(=O)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255870318 497376236 /nfs/dbraw/zinc/37/62/36/497376236.db2.gz HASCRIMSTZCHOK-QKIRZYONSA-N 0 1 359.470 3.481 20 5 FGBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000261618038 497420389 /nfs/dbraw/zinc/42/03/89/497420389.db2.gz COFVZNWOMAFQRJ-MRXNPFEDSA-N 0 1 359.451 3.314 20 5 FGBDMN C[C@@H]1CCCN(c2ccc(-c3nc(C4(N)CCC4)no3)cc2[N+](=O)[O-])C1 ZINC000261911917 497475091 /nfs/dbraw/zinc/47/50/91/497475091.db2.gz ZWXKSUFSPSRPOZ-GFCCVEGCSA-N 0 1 357.414 3.219 20 5 FGBDMN CN1CC[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC000275984279 497475415 /nfs/dbraw/zinc/47/54/15/497475415.db2.gz PJMFDPULYKCYQS-XOBRGWDASA-N 0 1 361.445 3.260 20 5 FGBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000272484541 497641637 /nfs/dbraw/zinc/64/16/37/497641637.db2.gz GKJAWWPPVOOSOK-PIGZYNQJSA-N 0 1 360.341 3.042 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](COc2ccccc2)C1 ZINC000272870470 497749905 /nfs/dbraw/zinc/74/99/05/497749905.db2.gz WODYAMQGNCKSSQ-CYBMUJFWSA-N 0 1 366.377 3.012 20 5 FGBDMN Cc1cc(NCc2nnc3n2CCCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000272889142 497753827 /nfs/dbraw/zinc/75/38/27/497753827.db2.gz XNBBHXZVWLMSQA-UHFFFAOYSA-N 0 1 352.398 3.381 20 5 FGBDMN O=C(NCC1(c2cccc(Cl)c2F)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000191257362 497759326 /nfs/dbraw/zinc/75/93/26/497759326.db2.gz SOFTYUMBLYCIHJ-UHFFFAOYSA-N 0 1 366.780 3.352 20 5 FGBDMN CS[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246570424 497778039 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FGBDMN COC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000428077357 500465690 /nfs/dbraw/zinc/46/56/90/500465690.db2.gz LCRFASFYHSQNIN-HNNXBMFYSA-N 0 1 350.758 3.071 20 5 FGBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428780714 500556232 /nfs/dbraw/zinc/55/62/32/500556232.db2.gz CMAQGUUAGNSKCD-IBGZPJMESA-N 0 1 358.369 3.051 20 5 FGBDMN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000436940224 500575423 /nfs/dbraw/zinc/57/54/23/500575423.db2.gz VDYVUUXDGKWGDY-MRXNPFEDSA-N 0 1 369.421 3.037 20 5 FGBDMN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000436940224 500575427 /nfs/dbraw/zinc/57/54/27/500575427.db2.gz VDYVUUXDGKWGDY-MRXNPFEDSA-N 0 1 369.421 3.037 20 5 FGBDMN CN(C)C1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442643265 500608348 /nfs/dbraw/zinc/60/83/48/500608348.db2.gz GDRKZWZPGPFTDK-UHFFFAOYSA-N 0 1 357.435 3.132 20 5 FGBDMN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437224822 500617623 /nfs/dbraw/zinc/61/76/23/500617623.db2.gz HNEPRVILBXJZHX-SWLSCSKDSA-N 0 1 356.769 3.410 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(CO)(c2ccccc2)CC1 ZINC000433068243 500618446 /nfs/dbraw/zinc/61/84/46/500618446.db2.gz OJHOLFLSNNFUOL-UHFFFAOYSA-N 0 1 356.422 3.130 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000433072868 500619588 /nfs/dbraw/zinc/61/95/88/500619588.db2.gz QJYLAIQSVYNQRL-IBGZPJMESA-N 0 1 358.438 3.417 20 5 FGBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccn(-c3ccccc3)n2)n1 ZINC000447563653 500624892 /nfs/dbraw/zinc/62/48/92/500624892.db2.gz RIOAWYRLENKETR-QZTJIDSGSA-N 0 1 366.425 3.251 20 5 FGBDMN CNc1c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cccc1[N+](=O)[O-] ZINC000447724119 500653727 /nfs/dbraw/zinc/65/37/27/500653727.db2.gz UARWJXONCFWBFS-HNNXBMFYSA-N 0 1 370.409 3.274 20 5 FGBDMN COc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1[N+](=O)[O-] ZINC000447724567 500654113 /nfs/dbraw/zinc/65/41/13/500654113.db2.gz WVHQOCJQWNKXNE-HNNXBMFYSA-N 0 1 371.393 3.241 20 5 FGBDMN COc1cc(CN2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000447844240 500677028 /nfs/dbraw/zinc/67/70/28/500677028.db2.gz PLZFUDOISBAOAW-YPMHNXCESA-N 0 1 374.384 3.330 20 5 FGBDMN CC1CCN([C@H](CNc2ncc([N+](=O)[O-])s2)c2cccs2)CC1 ZINC000443412101 500720852 /nfs/dbraw/zinc/72/08/52/500720852.db2.gz ZBHBJYPKQNNONW-GFCCVEGCSA-N 0 1 352.485 3.420 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c1C ZINC000438805597 500821460 /nfs/dbraw/zinc/82/14/60/500821460.db2.gz AZGMBOGDXKEISL-UHFFFAOYSA-N 0 1 372.406 3.403 20 5 FGBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000434327024 500827085 /nfs/dbraw/zinc/82/70/85/500827085.db2.gz OLJGMMWWPIWXAL-CYBMUJFWSA-N 0 1 366.377 3.388 20 5 FGBDMN Cc1cccc2nc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])[nH]c21 ZINC000588171513 506220490 /nfs/dbraw/zinc/22/04/90/506220490.db2.gz WURNNOKZXRZPEQ-UHFFFAOYSA-N 0 1 367.409 3.164 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CNCC[C@H]3COc4ccccc4O3)nc2c1 ZINC000602571713 506220831 /nfs/dbraw/zinc/22/08/31/506220831.db2.gz CHPYWXNAQKPKHW-ZDUSSCGKSA-N 0 1 355.350 3.056 20 5 FGBDMN CCO[C@H]1C[C@@](CO)(NCc2cc([N+](=O)[O-])ccc2OC(C)C)C1(C)C ZINC000444800305 500902962 /nfs/dbraw/zinc/90/29/62/500902962.db2.gz JCGFXPODQFENNI-HKUYNNGSSA-N 0 1 366.458 3.038 20 5 FGBDMN Cc1[nH]ncc1CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445176293 500951920 /nfs/dbraw/zinc/95/19/20/500951920.db2.gz AMMFTECGJSNFBB-UHFFFAOYSA-N 0 1 360.417 3.075 20 5 FGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncc(Br)cn1 ZINC000449341441 500982415 /nfs/dbraw/zinc/98/24/15/500982415.db2.gz TZDNQGHAQKJFKT-MNOVXSKESA-N 0 1 365.231 3.429 20 5 FGBDMN COc1ccc(-c2ccc(CNC3(CF)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000449445887 501004530 /nfs/dbraw/zinc/00/45/30/501004530.db2.gz MQDGLXWBHIKGPE-UHFFFAOYSA-N 0 1 364.373 3.472 20 5 FGBDMN Cc1ccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000449643619 501048506 /nfs/dbraw/zinc/04/85/06/501048506.db2.gz BGLYYOVKYODIOE-CABCVRRESA-N 0 1 353.422 3.359 20 5 FGBDMN O=[N+]([O-])c1sc(CN[C@@H]2Cc3cccc(O)c3C2)cc1Br ZINC000602635948 506238461 /nfs/dbraw/zinc/23/84/61/506238461.db2.gz FYNIEDNZEWEIIF-SECBINFHSA-N 0 1 369.240 3.381 20 5 FGBDMN COC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000447075123 501201642 /nfs/dbraw/zinc/20/16/42/501201642.db2.gz BJPVTRWWBIHEQJ-GOSISDBHSA-N 0 1 364.348 3.094 20 5 FGBDMN C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451101795 501245921 /nfs/dbraw/zinc/24/59/21/501245921.db2.gz FVUWRGAGTWFYOM-NSHDSACASA-N 0 1 360.439 3.219 20 5 FGBDMN CC(C)(C[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)C(N)=O ZINC000451212636 501252460 /nfs/dbraw/zinc/25/24/60/501252460.db2.gz BTGHUOYVASDINM-LBPRGKRZSA-N 0 1 353.850 3.362 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)co2)cc1 ZINC000451497236 501306531 /nfs/dbraw/zinc/30/65/31/501306531.db2.gz VYTXUJJJNATYGT-BBWFWOEESA-N 0 1 355.394 3.297 20 5 FGBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCCc1ccccc1 ZINC000453347606 501318437 /nfs/dbraw/zinc/31/84/37/501318437.db2.gz OEKLBGQUSGBOEP-YWZLYKJASA-N 0 1 367.449 3.309 20 5 FGBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453435812 501331134 /nfs/dbraw/zinc/33/11/34/501331134.db2.gz LDVZUCFKMPRYDN-OCCSQVGLSA-N 0 1 372.425 3.375 20 5 FGBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCc3cn[nH]c3C2)cc1OC ZINC000611668171 506250797 /nfs/dbraw/zinc/25/07/97/506250797.db2.gz CQZBHWYBONISCO-ZDUSSCGKSA-N 0 1 374.441 3.310 20 5 FGBDMN C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451925599 501402273 /nfs/dbraw/zinc/40/22/73/501402273.db2.gz LADWQESHBABKBV-XJKSGUPXSA-N 0 1 372.425 3.141 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000452186220 501456763 /nfs/dbraw/zinc/45/67/63/501456763.db2.gz WRGOTORJAQSVPW-GXTWGEPZSA-N 0 1 356.426 3.424 20 5 FGBDMN C[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)OCCc2sccc21 ZINC000602666849 506254339 /nfs/dbraw/zinc/25/43/39/506254339.db2.gz MCEYEFIRHJDNJU-QGZVFWFLSA-N 0 1 359.407 3.375 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458542500 501470149 /nfs/dbraw/zinc/47/01/49/501470149.db2.gz BORNCRNRGCGIAG-DOTOQJQBSA-N 0 1 369.425 3.285 20 5 FGBDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000452735818 501554034 /nfs/dbraw/zinc/55/40/34/501554034.db2.gz YCEYJORNZLSNBR-UHFFFAOYSA-N 0 1 369.421 3.085 20 5 FGBDMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452861748 501576313 /nfs/dbraw/zinc/57/63/13/501576313.db2.gz UMWNPLNPPGRXGJ-GOEBONIOSA-N 0 1 354.410 3.144 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](OC)c1cccc(OC)c1 ZINC000598988950 506264335 /nfs/dbraw/zinc/26/43/35/506264335.db2.gz WKNTUHVEKPATLA-LJQANCHMSA-N 0 1 360.410 3.479 20 5 FGBDMN COCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC=CCC1 ZINC000485135122 501733830 /nfs/dbraw/zinc/73/38/30/501733830.db2.gz WLRUVTVFLFUBKJ-HNNXBMFYSA-N 0 1 372.425 3.450 20 5 FGBDMN O=C(Nc1ccc(F)cc1OCC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477619995 501740048 /nfs/dbraw/zinc/74/00/48/501740048.db2.gz DISSSBJCKLKGPX-UHFFFAOYSA-N 0 1 356.256 3.336 20 5 FGBDMN CC(C)COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467774065 501868247 /nfs/dbraw/zinc/86/82/47/501868247.db2.gz UCVHRXQVDXAKSG-UHFFFAOYSA-N 0 1 366.395 3.136 20 5 FGBDMN CCN(CC)C(=O)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467978296 501918997 /nfs/dbraw/zinc/91/89/97/501918997.db2.gz QLICPOHBXPYOKA-IBGZPJMESA-N 0 1 355.438 3.337 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000481956257 501928010 /nfs/dbraw/zinc/92/80/10/501928010.db2.gz BEXWNQPLIWDDPZ-UHFFFAOYSA-N 0 1 360.313 3.430 20 5 FGBDMN CN(C)c1nc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000468044972 501938580 /nfs/dbraw/zinc/93/85/80/501938580.db2.gz OFADUGYIXXIOLX-UHFFFAOYSA-N 0 1 353.382 3.108 20 5 FGBDMN COC(=O)c1cc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000602742363 506282701 /nfs/dbraw/zinc/28/27/01/506282701.db2.gz FBBKVJSHHSCECR-UHFFFAOYSA-N 0 1 359.382 3.057 20 5 FGBDMN CN(CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000481998818 501940644 /nfs/dbraw/zinc/94/06/44/501940644.db2.gz JPPRNDMJUCAICG-UHFFFAOYSA-N 0 1 373.428 3.260 20 5 FGBDMN O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1n[nH]cc1[N+](=O)[O-] ZINC000482030098 501952812 /nfs/dbraw/zinc/95/28/12/501952812.db2.gz FZKXNGRPGOELCJ-UHFFFAOYSA-N 0 1 368.180 3.079 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(C2CCC2)CC1 ZINC000475206250 502098605 /nfs/dbraw/zinc/09/86/05/502098605.db2.gz BOYKGTMQZLCCNG-UHFFFAOYSA-N 0 1 372.347 3.316 20 5 FGBDMN Cc1n[nH]c(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000486273602 502108319 /nfs/dbraw/zinc/10/83/19/502108319.db2.gz DPDPBPXUONYWPG-UHFFFAOYSA-N 0 1 365.393 3.172 20 5 FGBDMN C[C@H](C(=O)NCCC1=CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000582558346 506293892 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COCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000026447316 494825485 /nfs/dbraw/zinc/82/54/85/494825485.db2.gz IJLAUONRNGQGFV-UHFFFAOYSA-N 0 1 355.822 3.078 20 5 FGBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccsc3)ns2)c1 ZINC000109111167 494833657 /nfs/dbraw/zinc/83/36/57/494833657.db2.gz UYFCBWHLDOTOEH-UHFFFAOYSA-N 0 1 362.392 3.436 20 5 FGBDMN CN(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccsc1 ZINC000026720495 494835604 /nfs/dbraw/zinc/83/56/04/494835604.db2.gz UZOBBUAORLHIRR-KRWDZBQOSA-N 0 1 374.466 3.263 20 5 FGBDMN CC(C)(C)C(=O)NC[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093281093 494858703 /nfs/dbraw/zinc/85/87/03/494858703.db2.gz SLDALDLJHXDOPS-OJXHRBAXSA-N 0 1 359.470 3.482 20 5 FGBDMN Cc1n[nH]c2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc12 ZINC000093909643 494933874 /nfs/dbraw/zinc/93/38/74/494933874.db2.gz WWQZYGXGELDRTL-UHFFFAOYSA-N 0 1 360.395 3.197 20 5 FGBDMN Cc1[nH]nc2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc12 ZINC000093909643 494933877 /nfs/dbraw/zinc/93/38/77/494933877.db2.gz WWQZYGXGELDRTL-UHFFFAOYSA-N 0 1 360.395 3.197 20 5 FGBDMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111130054 495042014 /nfs/dbraw/zinc/04/20/14/495042014.db2.gz KHZZRHYTLQASKV-AWEZNQCLSA-N 0 1 371.422 3.386 20 5 FGBDMN CCN(CC)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000128558595 495115929 /nfs/dbraw/zinc/11/59/29/495115929.db2.gz ZANQBAYWOUZFBX-KRWDZBQOSA-N 0 1 359.426 3.320 20 5 FGBDMN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000123674209 495170027 /nfs/dbraw/zinc/17/00/27/495170027.db2.gz JEZICMBKUFGXPD-AWEZNQCLSA-N 0 1 368.386 3.172 20 5 FGBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469975 495237372 /nfs/dbraw/zinc/23/73/72/495237372.db2.gz RNJVOICNWCOGDJ-KGLIPLIRSA-N 0 1 351.422 3.251 20 5 FGBDMN COC[C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000112988003 495264199 /nfs/dbraw/zinc/26/41/99/495264199.db2.gz AJHAIIJDZIOXRJ-LLVKDONJSA-N 0 1 360.357 3.063 20 5 FGBDMN O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000136491860 495383282 /nfs/dbraw/zinc/38/32/82/495383282.db2.gz WWRUKNQFAHVINO-HNNXBMFYSA-N 0 1 356.769 3.491 20 5 FGBDMN C[C@@H](c1cccnc1)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120532533 495399404 /nfs/dbraw/zinc/39/94/04/495399404.db2.gz LPKOUMBGUAEUKO-KRWDZBQOSA-N 0 1 370.453 3.138 20 5 FGBDMN COc1cc(CN(C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000185330634 495534440 /nfs/dbraw/zinc/53/44/40/495534440.db2.gz KVDLUPUYNQPWQT-GFCCVEGCSA-N 0 1 362.373 3.044 20 5 FGBDMN Cc1nn(Cc2nc3ccc(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000185354916 495545954 /nfs/dbraw/zinc/54/59/54/495545954.db2.gz DDGIGLIZLBKNSQ-UHFFFAOYSA-N 0 1 350.176 3.095 20 5 FGBDMN CSc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000176237462 495557864 /nfs/dbraw/zinc/55/78/64/495557864.db2.gz MGDZPXRQNMFPBA-UHFFFAOYSA-N 0 1 363.483 3.407 20 5 FGBDMN CC[N@@H+](CCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158679140 495566092 /nfs/dbraw/zinc/56/60/92/495566092.db2.gz HEGPBQYGCDXYNL-UHFFFAOYSA-N 0 1 366.421 3.262 20 5 FGBDMN CCc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)c1 ZINC000179392665 495574169 /nfs/dbraw/zinc/57/41/69/495574169.db2.gz OOXDCNFNOLPAQD-UHFFFAOYSA-N 0 1 350.396 3.104 20 5 FGBDMN CC(=O)c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179600382 495656408 /nfs/dbraw/zinc/65/64/08/495656408.db2.gz KPHCFGYPVUSWCJ-CQSZACIVSA-N 0 1 355.398 3.177 20 5 FGBDMN CC(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000179600382 495656415 /nfs/dbraw/zinc/65/64/15/495656415.db2.gz KPHCFGYPVUSWCJ-CQSZACIVSA-N 0 1 355.398 3.177 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000179818802 495747819 /nfs/dbraw/zinc/74/78/19/495747819.db2.gz BQOFSDQHVODYQJ-HNNXBMFYSA-N 0 1 364.409 3.066 20 5 FGBDMN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000159574097 495761693 /nfs/dbraw/zinc/76/16/93/495761693.db2.gz NUZYJHVCQDASLC-BLJYYBPWSA-N 0 1 374.400 3.345 20 5 FGBDMN COC(=O)COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182996549 495791605 /nfs/dbraw/zinc/79/16/05/495791605.db2.gz TVUAIRBXVLSUMQ-CQSZACIVSA-N 0 1 358.394 3.340 20 5 FGBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183061914 495818200 /nfs/dbraw/zinc/81/82/00/495818200.db2.gz NSTKIHQFHIFCDE-LLVKDONJSA-N 0 1 350.766 3.125 20 5 FGBDMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000151619292 495895870 /nfs/dbraw/zinc/89/58/70/495895870.db2.gz YHBFDSBDGCMYHG-GDBMZVCRSA-N 0 1 369.421 3.368 20 5 FGBDMN C[C@@H](CN1CCCC1=O)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180203331 495904941 /nfs/dbraw/zinc/90/49/41/495904941.db2.gz CACMBAQGJYUSBS-YWZLYKJASA-N 0 1 353.422 3.285 20 5 FGBDMN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)cc1Cl ZINC000180209845 495907880 /nfs/dbraw/zinc/90/78/80/495907880.db2.gz DFJBNNRMOUIHDH-UHFFFAOYSA-N 0 1 368.223 3.467 20 5 FGBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186409543 495987125 /nfs/dbraw/zinc/98/71/25/495987125.db2.gz WNFKEJKSMSJJIW-RYUDHWBXSA-N 0 1 363.439 3.396 20 5 FGBDMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180457220 496003787 /nfs/dbraw/zinc/00/37/87/496003787.db2.gz GWOWMOHAISKSSB-CHWSQXEVSA-N 0 1 355.394 3.475 20 5 FGBDMN Cc1ccccc1NC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174734793 496082593 /nfs/dbraw/zinc/08/25/93/496082593.db2.gz MBNKYRSTGMRHHB-UHFFFAOYSA-N 0 1 368.437 3.054 20 5 FGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000152297421 496107881 /nfs/dbraw/zinc/10/78/81/496107881.db2.gz LVUHIBDXALJLEY-QGZVFWFLSA-N 0 1 357.410 3.074 20 5 FGBDMN COc1ccc(OCCN2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186711977 496117011 /nfs/dbraw/zinc/11/70/11/496117011.db2.gz PPENGJHZPZZEHS-HXUWFJFHSA-N 0 1 370.405 3.114 20 5 FGBDMN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000161378808 496163336 /nfs/dbraw/zinc/16/33/36/496163336.db2.gz CKTDSMFONYFJOB-STQMWFEESA-N 0 1 369.406 3.492 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000172183344 496198079 /nfs/dbraw/zinc/19/80/79/496198079.db2.gz XXGLLGQJLOHORB-UHFFFAOYSA-N 0 1 358.379 3.094 20 5 FGBDMN O=C(NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059829 496309601 /nfs/dbraw/zinc/30/96/01/496309601.db2.gz NLVGFKWXRWIWIL-QGZVFWFLSA-N 0 1 353.422 3.237 20 5 FGBDMN Cc1c(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000580813674 505844162 /nfs/dbraw/zinc/84/41/62/505844162.db2.gz KEXQOCMJNXOPPI-UWJYYQICSA-N 0 1 370.449 3.445 20 5 FGBDMN C[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000181444589 496398563 /nfs/dbraw/zinc/39/85/63/496398563.db2.gz QZKHAKAUSODLAO-YPMHNXCESA-N 0 1 361.348 3.329 20 5 FGBDMN COc1ccccc1[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000153519048 496483094 /nfs/dbraw/zinc/48/30/94/496483094.db2.gz LPXBYJSUXSSJTD-CQSZACIVSA-N 0 1 350.806 3.367 20 5 FGBDMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000163460942 496518337 /nfs/dbraw/zinc/51/83/37/496518337.db2.gz VWNOTZANPQWXJH-LBPRGKRZSA-N 0 1 368.480 3.409 20 5 FGBDMN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1OC ZINC000574756875 505849265 /nfs/dbraw/zinc/84/92/65/505849265.db2.gz GJZZXOHTOBWXLP-UHFFFAOYSA-N 0 1 365.411 3.063 20 5 FGBDMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000184767791 496524004 /nfs/dbraw/zinc/52/40/04/496524004.db2.gz FIPWDNMBICBEJM-ZBEGNZNMSA-N 0 1 351.366 3.089 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000178692583 496542747 /nfs/dbraw/zinc/54/27/47/496542747.db2.gz JPAHHIZGQKGUMO-XJKSGUPXSA-N 0 1 357.385 3.498 20 5 FGBDMN Cc1ccc([C@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000181808660 496553715 /nfs/dbraw/zinc/55/37/15/496553715.db2.gz ODFDPXZAOKEYLN-YOEHRIQHSA-N 0 1 369.421 3.194 20 5 FGBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)Cc1ccsc1 ZINC000187781721 496570114 /nfs/dbraw/zinc/57/01/14/496570114.db2.gz RBBAUGVESAMASX-CQSZACIVSA-N 0 1 373.478 3.499 20 5 FGBDMN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000580863307 505854918 /nfs/dbraw/zinc/85/49/18/505854918.db2.gz UCXKYDJUIFJUPP-LLVKDONJSA-N 0 1 357.414 3.294 20 5 FGBDMN Cn1ccnc1-c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 ZINC000179054602 496659004 /nfs/dbraw/zinc/65/90/04/496659004.db2.gz ODLGFJUYAICJHF-UHFFFAOYSA-N 0 1 368.378 3.185 20 5 FGBDMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392155 496672313 /nfs/dbraw/zinc/67/23/13/496672313.db2.gz ZEFGJRJJTLMWHK-CABCVRRESA-N 0 1 353.422 3.219 20 5 FGBDMN Cc1c([C@H](C)NCc2cnc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000185282659 496723750 /nfs/dbraw/zinc/72/37/50/496723750.db2.gz VCYIIVYOWCCBLC-AWEZNQCLSA-N 0 1 374.416 3.125 20 5 FGBDMN CCN(C)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000191399815 496749958 /nfs/dbraw/zinc/74/99/58/496749958.db2.gz YNEDUHMAHVMMCB-UHFFFAOYSA-N 0 1 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FGBDMN COc1cc(CN2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000371737699 499360323 /nfs/dbraw/zinc/36/03/23/499360323.db2.gz WNXCSAHPHDKIBR-LBPRGKRZSA-N 0 1 360.357 3.206 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000369143821 499370346 /nfs/dbraw/zinc/37/03/46/499370346.db2.gz MKVTVEPJMKLLTC-UHFFFAOYSA-N 0 1 364.446 3.080 20 5 FGBDMN COCCn1ncc2c1[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000371845481 499371093 /nfs/dbraw/zinc/37/10/93/499371093.db2.gz DYALQDSQIRSFMP-PBHICJAKSA-N 0 1 358.442 3.474 20 5 FGBDMN Cc1ncc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1-c1ccccc1 ZINC000369556471 499417005 /nfs/dbraw/zinc/41/70/05/499417005.db2.gz MMLIRQGAFVCSJR-UHFFFAOYSA-N 0 1 366.425 3.123 20 5 FGBDMN CSc1cccc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1[N+](=O)[O-] ZINC000372367848 499425363 /nfs/dbraw/zinc/42/53/63/499425363.db2.gz NQSOVZGIPFDDDD-LBPRGKRZSA-N 0 1 360.439 3.368 20 5 FGBDMN COCCn1ncc2c1[C@@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000373203701 499457167 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YBEJFHDKGZQZNH-MRXNPFEDSA-N 0 1 355.394 3.370 20 5 FGBDMN Cc1[nH]ncc1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000375912672 499568184 /nfs/dbraw/zinc/56/81/84/499568184.db2.gz CQGHMSCBKJRWHE-UHFFFAOYSA-N 0 1 374.416 3.449 20 5 FGBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000376115786 499584215 /nfs/dbraw/zinc/58/42/15/499584215.db2.gz PIDVYDJZPVKQBF-KRWDZBQOSA-N 0 1 358.401 3.212 20 5 FGBDMN O=C(CCN(Cc1ccco1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000410024531 499636864 /nfs/dbraw/zinc/63/68/64/499636864.db2.gz DWFJTQSHRXZHDE-INIZCTEOSA-N 0 1 373.409 3.198 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000377716896 499724678 /nfs/dbraw/zinc/72/46/78/499724678.db2.gz GQUZXXOXTRZUHK-IBGZPJMESA-N 0 1 371.393 3.377 20 5 FGBDMN Cc1c([C@@H](C)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000414329019 499778267 /nfs/dbraw/zinc/77/82/67/499778267.db2.gz ZEURXEWHVNHJCY-CXAGYDPISA-N 0 1 357.385 3.498 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](C4CCC4)C3)o2)c1 ZINC000411853606 499797356 /nfs/dbraw/zinc/79/73/56/499797356.db2.gz SGURDAVQFQBXIC-SFHVURJKSA-N 0 1 357.410 3.293 20 5 FGBDMN CN(Cc1ccccc1)C1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412343605 499846776 /nfs/dbraw/zinc/84/67/76/499846776.db2.gz WETPWKYNBKADTR-VQTJNVASSA-N 0 1 365.433 3.041 20 5 FGBDMN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429246051 500033575 /nfs/dbraw/zinc/03/35/75/500033575.db2.gz FHMOEKDVIMXQHV-BXUZGUMPSA-N 0 1 366.377 3.168 20 5 FGBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N(C)C)c1 ZINC000421739930 500136066 /nfs/dbraw/zinc/13/60/66/500136066.db2.gz FYVPPUWNTDGSBJ-LJQANCHMSA-N 0 1 371.437 3.253 20 5 FGBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N(C)C)c1 ZINC000421739929 500136222 /nfs/dbraw/zinc/13/62/22/500136222.db2.gz FYVPPUWNTDGSBJ-IBGZPJMESA-N 0 1 371.437 3.253 20 5 FGBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000421794007 500152695 /nfs/dbraw/zinc/15/26/95/500152695.db2.gz ZKACBXKDLQWYCV-MSOLQXFVSA-N 0 1 353.422 3.039 20 5 FGBDMN C[C@@H]1C[C@]2(CCO1)CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000430253310 500215676 /nfs/dbraw/zinc/21/56/76/500215676.db2.gz IIHMRFQNFSGKGO-JTDSTZFVSA-N 0 1 364.442 3.022 20 5 FGBDMN CCN(CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000573417345 506189891 /nfs/dbraw/zinc/18/98/91/506189891.db2.gz GJAVIHUFEVMQAF-GFCCVEGCSA-N 0 1 361.364 3.089 20 5 FGBDMN COC(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1OC(C)C ZINC000427014759 500344835 /nfs/dbraw/zinc/34/48/35/500344835.db2.gz IIJNTCJVXXALRW-UHFFFAOYSA-N 0 1 374.349 3.127 20 5 FGBDMN C[C@H]1CN(C(C)(C)CNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432339158 500501878 /nfs/dbraw/zinc/50/18/78/500501878.db2.gz ZJYWBRGAWMZKJW-KBPBESRZSA-N 0 1 358.442 3.443 20 5 FGBDMN Cc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccccn2)cc1[N+](=O)[O-] ZINC000582391167 506201030 /nfs/dbraw/zinc/20/10/30/506201030.db2.gz 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ZINC000434627665 500869004 /nfs/dbraw/zinc/86/90/04/500869004.db2.gz BBBXAQNCVHHYNJ-UHFFFAOYSA-N 0 1 366.395 3.030 20 5 FGBDMN CCCN(CCN(C)C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445139590 500948317 /nfs/dbraw/zinc/94/83/17/500948317.db2.gz CGDKDOJARSRUFS-UHFFFAOYSA-N 0 1 351.450 3.095 20 5 FGBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445161779 500950458 /nfs/dbraw/zinc/95/04/58/500950458.db2.gz RUNUSXSJTKJQRK-UHFFFAOYSA-N 0 1 359.389 3.319 20 5 FGBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445161779 500950461 /nfs/dbraw/zinc/95/04/61/500950461.db2.gz RUNUSXSJTKJQRK-UHFFFAOYSA-N 0 1 359.389 3.319 20 5 FGBDMN CN(C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000445506539 500995079 /nfs/dbraw/zinc/99/50/79/500995079.db2.gz RODIZPZOLUEWOK-QGZVFWFLSA-N 0 1 374.466 3.027 20 5 FGBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1F ZINC000582449409 506228689 /nfs/dbraw/zinc/22/86/89/506228689.db2.gz ZRCRLVKDHIOBEG-VIFPVBQESA-N 0 1 357.183 3.044 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ZINC000602623584 506235341 /nfs/dbraw/zinc/23/53/41/506235341.db2.gz PYNFXRJURQUURM-UHFFFAOYSA-N 0 1 369.347 3.117 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnnn1-c1ccc(Cl)cc1 ZINC000436477144 501134738 /nfs/dbraw/zinc/13/47/38/501134738.db2.gz WHYPLYUWIHBOKI-UHFFFAOYSA-N 0 1 363.786 3.222 20 5 FGBDMN COc1ccc([C@@H](CCn2cncn2)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000446922964 501182148 /nfs/dbraw/zinc/18/21/48/501182148.db2.gz PPSVXGZIXAUWCJ-GOSISDBHSA-N 0 1 367.409 3.116 20 5 FGBDMN COc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100618 501245778 /nfs/dbraw/zinc/24/57/78/501245778.db2.gz WABAKLZDWCLIJC-AWEZNQCLSA-N 0 1 369.421 3.233 20 5 FGBDMN CCC[C@@]1(COC)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451450548 501295225 /nfs/dbraw/zinc/29/52/25/501295225.db2.gz IUTKKSOZKWKPPB-IBGZPJMESA-N 0 1 372.425 3.406 20 5 FGBDMN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451589531 501331112 /nfs/dbraw/zinc/33/11/12/501331112.db2.gz VPYPRQBUGWMFAJ-DFBGVHRSSA-N 0 1 374.397 3.027 20 5 FGBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453435811 501331432 /nfs/dbraw/zinc/33/14/32/501331432.db2.gz LDVZUCFKMPRYDN-JSGCOSHPSA-N 0 1 372.425 3.375 20 5 FGBDMN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451925597 501402082 /nfs/dbraw/zinc/40/20/82/501402082.db2.gz LADWQESHBABKBV-CJNGLKHVSA-N 0 1 372.425 3.141 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458542502 501470099 /nfs/dbraw/zinc/47/00/99/501470099.db2.gz BORNCRNRGCGIAG-NVXWUHKLSA-N 0 1 369.425 3.285 20 5 FGBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000456531711 501542854 /nfs/dbraw/zinc/54/28/54/501542854.db2.gz OQHCIKMZGHUJEB-LLVKDONJSA-N 0 1 359.348 3.170 20 5 FGBDMN O=[N+]([O-])c1sc(CN[C@H]2CCCC(F)(F)[C@@H]2O)cc1Br ZINC000602694006 506264585 /nfs/dbraw/zinc/26/45/85/506264585.db2.gz PTSJHNFLTWFUJN-DTWKUNHWSA-N 0 1 371.203 3.057 20 5 FGBDMN 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20 5 FGBDMN CCOc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577760649 505787700 /nfs/dbraw/zinc/78/77/00/505787700.db2.gz LVZNJQJMRYAQIO-KRWDZBQOSA-N 0 1 356.378 3.005 20 5 FGBDMN CC(C)Oc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000182625917 495641679 /nfs/dbraw/zinc/64/16/79/495641679.db2.gz HLTTXKHOHPJEES-CYBMUJFWSA-N 0 1 357.410 3.332 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159113209 495661154 /nfs/dbraw/zinc/66/11/54/495661154.db2.gz MACKNNVWRVJSIL-DNVCBOLYSA-N 0 1 355.438 3.253 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Nc3ccccc3F)CC2)c1 ZINC000154585080 495662517 /nfs/dbraw/zinc/66/25/17/495662517.db2.gz XRTJHFVBXGZFCQ-LJQANCHMSA-N 0 1 359.401 3.344 20 5 FGBDMN O=C(C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000179686929 495690967 /nfs/dbraw/zinc/69/09/67/495690967.db2.gz MCZYFIFIAKROSL-SOFGYWHQSA-N 0 1 357.454 3.333 20 5 FGBDMN C[C@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000182919674 495757445 /nfs/dbraw/zinc/75/74/45/495757445.db2.gz QILCJJVTHPEWCU-VIFPVBQESA-N 0 1 360.320 3.169 20 5 FGBDMN COc1cc(CNCCNc2ccc3ccccc3n2)c([N+](=O)[O-])cc1O ZINC000151171703 495761125 /nfs/dbraw/zinc/76/11/25/495761125.db2.gz NMTNHZQEWYBQBM-UHFFFAOYSA-N 0 1 368.393 3.059 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000185943877 495791203 /nfs/dbraw/zinc/79/12/03/495791203.db2.gz SDOWAIFPDAMIAM-BLLLJJGKSA-N 0 1 361.829 3.304 20 5 FGBDMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000151549239 495875401 /nfs/dbraw/zinc/87/54/01/495875401.db2.gz DBPIISSAWMLVDX-XJKSGUPXSA-N 0 1 355.394 3.060 20 5 FGBDMN CSc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180158110 495885323 /nfs/dbraw/zinc/88/53/23/495885323.db2.gz MZHBVBIPOQCCMH-YJBOKZPZSA-N 0 1 371.462 3.492 20 5 FGBDMN O=C(c1ccc(-c2nnc[nH]2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186206069 495894949 /nfs/dbraw/zinc/89/49/49/495894949.db2.gz PELYCAATPMTTQP-UHFFFAOYSA-N 0 1 363.377 3.185 20 5 FGBDMN COc1cc(CN(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OC ZINC000183256158 495902550 /nfs/dbraw/zinc/90/25/50/495902550.db2.gz DYGISALXIBUERV-LLVKDONJSA-N 0 1 351.428 3.304 20 5 FGBDMN CN(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177063040 495907437 /nfs/dbraw/zinc/90/74/37/495907437.db2.gz KYODRLQXLOVSSH-UHFFFAOYSA-N 0 1 365.792 3.249 20 5 FGBDMN C[C@@H](NCC(=O)N1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180414776 495987294 /nfs/dbraw/zinc/98/72/94/495987294.db2.gz NLZVLGUGRJQFPA-CYBMUJFWSA-N 0 1 357.435 3.384 20 5 FGBDMN C[C@@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC000177240206 495989953 /nfs/dbraw/zinc/98/99/53/495989953.db2.gz HPCJKTZPLOEJNY-SNVBAGLBSA-N 0 1 370.247 3.416 20 5 FGBDMN C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180447725 495999347 /nfs/dbraw/zinc/99/93/47/495999347.db2.gz TWKANVGBHOKKJV-ZDUSSCGKSA-N 0 1 357.414 3.196 20 5 FGBDMN Cc1c(CC(=O)NC[C@H](C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161145411 496113790 /nfs/dbraw/zinc/11/37/90/496113790.db2.gz RLHZKMZCCWLWHK-HNNXBMFYSA-N 0 1 367.449 3.009 20 5 FGBDMN CCOC(=O)CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000161934127 496264910 /nfs/dbraw/zinc/26/49/10/496264910.db2.gz WTMGHDHFZYYQRY-CYBMUJFWSA-N 0 1 361.398 3.291 20 5 FGBDMN Cc1c(CC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000162217581 496316082 /nfs/dbraw/zinc/31/60/82/496316082.db2.gz VZDFVJWWBXHTIP-GOSISDBHSA-N 0 1 359.401 3.004 20 5 FGBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc2n1CCCCC2)C1CC1 ZINC000157492277 496489068 /nfs/dbraw/zinc/48/90/68/496489068.db2.gz CYYWRDPOWXSJAM-MRXNPFEDSA-N 0 1 355.442 3.024 20 5 FGBDMN Cc1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000153641436 496529857 /nfs/dbraw/zinc/52/98/57/496529857.db2.gz KURZCGFYJYDMAC-UHFFFAOYSA-N 0 1 369.425 3.084 20 5 FGBDMN COc1cccc(CN(C)C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181817086 496556958 /nfs/dbraw/zinc/55/69/58/496556958.db2.gz OOVGMISCDQXLHV-OAHLLOKOSA-N 0 1 371.437 3.221 20 5 FGBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000181837186 496566174 /nfs/dbraw/zinc/56/61/74/496566174.db2.gz KILVGYIXHXMMLZ-AWEZNQCLSA-N 0 1 373.457 3.452 20 5 FGBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccsc1 ZINC000187803277 496578211 /nfs/dbraw/zinc/57/82/11/496578211.db2.gz IFLFDVVUXATZAG-AWEZNQCLSA-N 0 1 373.478 3.499 20 5 FGBDMN O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153851037 496601590 /nfs/dbraw/zinc/60/15/90/496601590.db2.gz ZEQKBSLRBUBEGI-UHFFFAOYSA-N 0 1 363.373 3.241 20 5 FGBDMN CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000580863309 505854695 /nfs/dbraw/zinc/85/46/95/505854695.db2.gz UCXKYDJUIFJUPP-NSHDSACASA-N 0 1 357.414 3.294 20 5 FGBDMN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000158076445 496622166 /nfs/dbraw/zinc/62/21/66/496622166.db2.gz FXKFQJHEJPJZPR-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 ZINC000175971300 496624032 /nfs/dbraw/zinc/62/40/32/496624032.db2.gz RFRABHIRSAJYKT-UHFFFAOYSA-N 0 1 359.363 3.414 20 5 FGBDMN CCOc1ccc([C@@H](C)NCc2ccccc2OCCO)cc1[N+](=O)[O-] ZINC000153958793 496636406 /nfs/dbraw/zinc/63/64/06/496636406.db2.gz XXLJDKYPGQIPEL-CQSZACIVSA-N 0 1 360.410 3.215 20 5 FGBDMN NC1(c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000166155427 496678049 /nfs/dbraw/zinc/67/80/49/496678049.db2.gz GCGHCQGKOYKKQN-UHFFFAOYSA-N 0 1 353.176 3.135 20 5 FGBDMN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000188105897 496685763 /nfs/dbraw/zinc/68/57/63/496685763.db2.gz GBONHFDWFAAOIE-ZFWWWQNUSA-N 0 1 358.394 3.486 20 5 FGBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182175109 496697949 /nfs/dbraw/zinc/69/79/49/496697949.db2.gz HGESWVYVKONZJD-LBPRGKRZSA-N 0 1 368.842 3.373 20 5 FGBDMN CC[C@@H]1c2ccsc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209926 496708430 /nfs/dbraw/zinc/70/84/30/496708430.db2.gz VHMFLWOMNQMARV-DZGCQCFKSA-N 0 1 362.451 3.405 20 5 FGBDMN COC[C@@H](Cc1ccccc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191472433 496774172 /nfs/dbraw/zinc/77/41/72/496774172.db2.gz MIGZQVUTTPQJGZ-LJQANCHMSA-N 0 1 372.421 3.151 20 5 FGBDMN CCOC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247089127 496776173 /nfs/dbraw/zinc/77/61/73/496776173.db2.gz WICULKYBUKGXAX-KGLIPLIRSA-N 0 1 360.414 3.454 20 5 FGBDMN CCOC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247089127 496776178 /nfs/dbraw/zinc/77/61/78/496776178.db2.gz WICULKYBUKGXAX-KGLIPLIRSA-N 0 1 360.414 3.454 20 5 FGBDMN CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493828 496781939 /nfs/dbraw/zinc/78/19/39/496781939.db2.gz QKNLYHOKIZDIPK-HNNXBMFYSA-N 0 1 373.457 3.093 20 5 FGBDMN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284726 496912678 /nfs/dbraw/zinc/91/26/78/496912678.db2.gz MZUPTNKPLGRSJP-UHFFFAOYSA-N 0 1 369.377 3.179 20 5 FGBDMN COc1ccc(Cl)cc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247919831 496927567 /nfs/dbraw/zinc/92/75/67/496927567.db2.gz XFTPKYKHCCLKIU-UHFFFAOYSA-N 0 1 374.784 3.405 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000269764550 497000255 /nfs/dbraw/zinc/00/02/55/497000255.db2.gz DMIXJBKDECNEBP-JKSUJKDBSA-N 0 1 372.425 3.135 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000192591713 497158010 /nfs/dbraw/zinc/15/80/10/497158010.db2.gz MLEBVAVVPGKRJR-ABAIWWIYSA-N 0 1 360.439 3.199 20 5 FGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000192622894 497165833 /nfs/dbraw/zinc/16/58/33/497165833.db2.gz MHAAOYYUQMPBHQ-OAHLLOKOSA-N 0 1 353.422 3.080 20 5 FGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249684746 497232251 /nfs/dbraw/zinc/23/22/51/497232251.db2.gz LOPZBVDTNDZQBS-GXTWGEPZSA-N 0 1 368.397 3.309 20 5 FGBDMN O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000254914388 497352813 /nfs/dbraw/zinc/35/28/13/497352813.db2.gz LAJILEIREOWPDV-NKPXIPJASA-N 0 1 353.426 3.025 20 5 FGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000254914388 497352816 /nfs/dbraw/zinc/35/28/16/497352816.db2.gz LAJILEIREOWPDV-NKPXIPJASA-N 0 1 353.426 3.025 20 5 FGBDMN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000190424430 497473994 /nfs/dbraw/zinc/47/39/94/497473994.db2.gz RXSBBHNRZRHJCQ-HOTGVXAUSA-N 0 1 364.833 3.475 20 5 FGBDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272494499 497644275 /nfs/dbraw/zinc/64/42/75/497644275.db2.gz HRHXZHRWYMZBOP-GJZGRUSLSA-N 0 1 361.442 3.027 20 5 FGBDMN COCCN(C)c1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191296259 497772591 /nfs/dbraw/zinc/77/25/91/497772591.db2.gz ODBLDWDDHMNWLI-UHFFFAOYSA-N 0 1 358.442 3.097 20 5 FGBDMN CCN(CC)CC(=O)Nc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000288572915 497835843 /nfs/dbraw/zinc/83/58/43/497835843.db2.gz 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ZINC000553723300 504991323 /nfs/dbraw/zinc/99/13/23/504991323.db2.gz CFCKSYJQFJFIEK-UHFFFAOYSA-N 0 1 360.320 3.172 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc2ccccc2s1 ZINC000553883238 505031996 /nfs/dbraw/zinc/03/19/96/505031996.db2.gz BBQTWGMAABEFBF-UHFFFAOYSA-N 0 1 366.395 3.427 20 5 FGBDMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc([O-])ccc3[N+](=O)[O-])ccc2NC1=O ZINC000554319513 505144377 /nfs/dbraw/zinc/14/43/77/505144377.db2.gz FGDMFXJVWWKUEP-APPDUMDISA-N 0 1 371.393 3.261 20 5 FGBDMN CCc1ccc([C@@H](NCCC2(O)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000552087930 505395136 /nfs/dbraw/zinc/39/51/36/505395136.db2.gz WVZZGNBEETWSKB-IBGZPJMESA-N 0 1 374.437 3.361 20 5 FGBDMN CCc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000552112499 505403723 /nfs/dbraw/zinc/40/37/23/505403723.db2.gz GIBSFXXBISIWTO-UHFFFAOYSA-N 0 1 370.453 3.146 20 5 FGBDMN Cc1c(NC(=O)CCN2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000564473338 505429497 /nfs/dbraw/zinc/42/94/97/505429497.db2.gz 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C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903702450 743877580 /nfs/dbraw/zinc/87/75/80/743877580.db2.gz CDRKDWPFOXPEFI-UWVGGRQHSA-N 0 1 357.204 3.042 20 5 FGBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901192 743894328 /nfs/dbraw/zinc/89/43/28/743894328.db2.gz CSQXRIGWSIKQMI-RULNRJAQSA-N 0 1 369.215 3.042 20 5 FGBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901191 743894391 /nfs/dbraw/zinc/89/43/91/743894391.db2.gz CSQXRIGWSIKQMI-RBZYPMLTSA-N 0 1 369.215 3.042 20 5 FGBDMN Cn1ccnc1[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092754 760529406 /nfs/dbraw/zinc/52/94/06/760529406.db2.gz DGRHEBPJUJWVQP-LLVKDONJSA-N 0 1 365.231 3.080 20 5 FGBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000934315284 761593754 /nfs/dbraw/zinc/59/37/54/761593754.db2.gz LQOYDSOSCXNODY-UHFFFAOYSA-N 0 1 362.817 3.310 20 5 FGBDMN O=C(CN[C@H](c1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934690989 761693605 /nfs/dbraw/zinc/69/36/05/761693605.db2.gz DVMZELSILRCWCP-KRWDZBQOSA-N 0 1 360.801 3.323 20 5 FGBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000016468632 210153614 /nfs/dbraw/zinc/15/36/14/210153614.db2.gz RMTZPYMYFKQUAM-SFHVURJKSA-N 0 1 369.421 3.170 20 5 FGBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000027678382 211471937 /nfs/dbraw/zinc/47/19/37/211471937.db2.gz SSKNVCWRDNEWSO-CQSZACIVSA-N 0 1 365.480 3.411 20 5 FGBDMN CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000071977693 221393168 /nfs/dbraw/zinc/39/31/68/221393168.db2.gz TWMMBVRVMWSDQL-UHFFFAOYSA-N 0 1 350.396 3.411 20 5 FGBDMN Cc1ccc(NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000108451074 222417910 /nfs/dbraw/zinc/41/79/10/222417910.db2.gz LENDPXOHRMABSG-UHFFFAOYSA-N 0 1 354.410 3.149 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000579854661 505633276 /nfs/dbraw/zinc/63/32/76/505633276.db2.gz HUALGFLVSHEYJP-UHFFFAOYSA-N 0 1 366.421 3.416 20 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O=C(NCCc1ccc(Cl)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000053680497 494158436 /nfs/dbraw/zinc/15/84/36/494158436.db2.gz ODCSRSWUUUHKDN-UHFFFAOYSA-N 0 1 350.787 3.159 20 5 FGBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011470441 494178147 /nfs/dbraw/zinc/17/81/47/494178147.db2.gz GPLFGLWMBOYNJG-ZETCQYMHSA-N 0 1 367.818 3.363 20 5 FGBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011470441 494178150 /nfs/dbraw/zinc/17/81/50/494178150.db2.gz GPLFGLWMBOYNJG-ZETCQYMHSA-N 0 1 367.818 3.363 20 5 FGBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccccc2)CC1 ZINC000054148706 494200524 /nfs/dbraw/zinc/20/05/24/494200524.db2.gz AUJXNLPCBGINIE-UHFFFAOYSA-N 0 1 357.385 3.082 20 5 FGBDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837336 494262252 /nfs/dbraw/zinc/26/22/52/494262252.db2.gz YIVUYIANLDZXFK-UKRRQHHQSA-N 0 1 351.472 3.448 20 5 FGBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2ccncc2)n1 ZINC000072877696 494274374 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ZINC000090775143 494496901 /nfs/dbraw/zinc/49/69/01/494496901.db2.gz CWCNUGWLDZTEHD-HOCLYGCPSA-N 0 1 362.451 3.498 20 5 FGBDMN C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175744 494666866 /nfs/dbraw/zinc/66/68/66/494666866.db2.gz GETIMGUWLAQWCJ-BEFAXECRSA-N 0 1 353.422 3.437 20 5 FGBDMN Cc1[nH]nc2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc12 ZINC000091836959 494698391 /nfs/dbraw/zinc/69/83/91/494698391.db2.gz CYXZBVHAORULPA-UHFFFAOYSA-N 0 1 362.349 3.218 20 5 FGBDMN Cc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000091949265 494730408 /nfs/dbraw/zinc/73/04/08/494730408.db2.gz LZGRCQMLQIWOSG-HNNXBMFYSA-N 0 1 359.470 3.374 20 5 FGBDMN Cc1occc1C(=O)NC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093010059 494807007 /nfs/dbraw/zinc/80/70/07/494807007.db2.gz QUTDKFCDZFVCAA-UHFFFAOYSA-N 0 1 357.410 3.199 20 5 FGBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1F ZINC000109020496 494822848 /nfs/dbraw/zinc/82/28/48/494822848.db2.gz 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/nfs/dbraw/zinc/50/70/10/495507010.db2.gz TYDAYJSADYNRHR-IUODEOHRSA-N 0 1 371.359 3.104 20 5 FGBDMN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000182431207 495561281 /nfs/dbraw/zinc/56/12/81/495561281.db2.gz YCSVQUMOVBDWLD-BBRMVZONSA-N 0 1 366.364 3.354 20 5 FGBDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154395266 495603208 /nfs/dbraw/zinc/60/32/08/495603208.db2.gz ZIMBZJCUKIZANL-QXNLKSCPSA-N 0 1 362.451 3.059 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1C ZINC000171014222 495689777 /nfs/dbraw/zinc/68/97/77/495689777.db2.gz VHVNHYGECHHSMR-UHFFFAOYSA-N 0 1 374.378 3.062 20 5 FGBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000176624047 495725876 /nfs/dbraw/zinc/72/58/76/495725876.db2.gz DVPJSRLYCINUKC-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN CCN(CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000171202173 495766751 /nfs/dbraw/zinc/76/67/51/495766751.db2.gz SZRGXYBTECOROG-INIZCTEOSA-N 0 1 360.414 3.070 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171369301 495841790 /nfs/dbraw/zinc/84/17/90/495841790.db2.gz KFSGKNHSAUKVKO-UHFFFAOYSA-N 0 1 356.426 3.365 20 5 FGBDMN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000155247454 495890678 /nfs/dbraw/zinc/89/06/78/495890678.db2.gz IZDAYCMGYJVGMK-HNNXBMFYSA-N 0 1 368.437 3.254 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155254411 495892669 /nfs/dbraw/zinc/89/26/69/495892669.db2.gz OQTJIGABYBQOPY-HNNXBMFYSA-N 0 1 368.437 3.254 20 5 FGBDMN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000155407042 495947822 /nfs/dbraw/zinc/94/78/22/495947822.db2.gz BNHVUBTVJTVITI-HNNXBMFYSA-N 0 1 369.421 3.037 20 5 FGBDMN CCc1[nH]nc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC000171677206 495985521 /nfs/dbraw/zinc/98/55/21/495985521.db2.gz JTIYZBFGJNFQSF-UHFFFAOYSA-N 0 1 369.385 3.041 20 5 FGBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177393069 496043699 /nfs/dbraw/zinc/04/36/99/496043699.db2.gz WFPGFVYIVPBASJ-CQSZACIVSA-N 0 1 365.393 3.070 20 5 FGBDMN CCC[C@H](NCC(=O)NCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160988822 496080401 /nfs/dbraw/zinc/08/04/01/496080401.db2.gz IQZZREDVBISPRC-IBGZPJMESA-N 0 1 371.437 3.351 20 5 FGBDMN CCOc1cccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000180705302 496111071 /nfs/dbraw/zinc/11/10/71/496111071.db2.gz USOWNUMBVKMPHA-CQSZACIVSA-N 0 1 357.410 3.307 20 5 FGBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000183787175 496116242 /nfs/dbraw/zinc/11/62/42/496116242.db2.gz DOWBABYZYAQQGU-BXUZGUMPSA-N 0 1 368.792 3.478 20 5 FGBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826685 496122444 /nfs/dbraw/zinc/12/24/44/496122444.db2.gz RHTUUXNXYNHCQU-UHFFFAOYSA-N 0 1 355.460 3.488 20 5 FGBDMN CCN(CC)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000155986796 496125327 /nfs/dbraw/zinc/12/53/27/496125327.db2.gz WGQHOOVDUDWPPP-QGZVFWFLSA-N 0 1 370.409 3.482 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161203260 496126570 /nfs/dbraw/zinc/12/65/70/496126570.db2.gz HHUOCHWPGHMNIL-UHFFFAOYSA-N 0 1 354.359 3.052 20 5 FGBDMN Cc1ccc(Sc2ccc(CN[C@@]3(CO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000184198786 496281650 /nfs/dbraw/zinc/28/16/50/496281650.db2.gz CUNUAXAZOBBEFL-LJQANCHMSA-N 0 1 374.462 3.295 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000162484411 496359817 /nfs/dbraw/zinc/35/98/17/496359817.db2.gz CYIZJQUAFHBYAT-UHFFFAOYSA-N 0 1 360.389 3.426 20 5 FGBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000178205860 496370414 /nfs/dbraw/zinc/37/04/14/496370414.db2.gz YFRSFFILVYFAFS-CYBMUJFWSA-N 0 1 373.409 3.210 20 5 FGBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000162918232 496433971 /nfs/dbraw/zinc/43/39/71/496433971.db2.gz VRSAXAKKRXEJGU-UHFFFAOYSA-N 0 1 371.784 3.006 20 5 FGBDMN COc1cc(NCc2n[nH]c(COc3ccccc3)n2)c([N+](=O)[O-])cc1F ZINC000184778066 496529298 /nfs/dbraw/zinc/52/92/98/496529298.db2.gz IIUWQRVINBAPPY-UHFFFAOYSA-N 0 1 373.344 3.052 20 5 FGBDMN COc1cc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000181838375 496568007 /nfs/dbraw/zinc/56/80/07/496568007.db2.gz FYOUXXTZFMSRSJ-ZDUSSCGKSA-N 0 1 373.409 3.210 20 5 FGBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000164157589 496589535 /nfs/dbraw/zinc/58/95/35/496589535.db2.gz CWZNYJRCBYIZSM-GFCCVEGCSA-N 0 1 356.304 3.464 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)ccc1F ZINC000184968049 496604010 /nfs/dbraw/zinc/60/40/10/496604010.db2.gz RAZDCOPFSBUTRR-UHFFFAOYSA-N 0 1 361.354 3.391 20 5 FGBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ncco1 ZINC000164674973 496627509 /nfs/dbraw/zinc/62/75/09/496627509.db2.gz ONJIRUSEGZKTMH-UHFFFAOYSA-N 0 1 359.363 3.359 20 5 FGBDMN CC[C@@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000182193470 496702231 /nfs/dbraw/zinc/70/22/31/496702231.db2.gz KRQAMBMAZIXPOB-CXAGYDPISA-N 0 1 365.455 3.014 20 5 FGBDMN COc1ccccc1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182216920 496710600 /nfs/dbraw/zinc/71/06/00/496710600.db2.gz WXVYVJZMEFPIIB-QGZVFWFLSA-N 0 1 372.421 3.008 20 5 FGBDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000247017696 496752363 /nfs/dbraw/zinc/75/23/63/496752363.db2.gz LOZXMBVPVHWCQW-BZUAXINKSA-N 0 1 370.453 3.454 20 5 FGBDMN CC(C)CCSc1ccc(C(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188423935 496785450 /nfs/dbraw/zinc/78/54/50/496785450.db2.gz IUSAYOVNKALVAB-CYBMUJFWSA-N 0 1 351.472 3.167 20 5 FGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247331314 496836475 /nfs/dbraw/zinc/83/64/75/496836475.db2.gz ISCUVVIPXUHSIJ-VNHYZAJKSA-N 0 1 351.472 3.017 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000269197232 496891837 /nfs/dbraw/zinc/89/18/37/496891837.db2.gz QCKQQRKTQBHUAA-UHFFFAOYSA-N 0 1 370.405 3.369 20 5 FGBDMN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247966389 496934905 /nfs/dbraw/zinc/93/49/05/496934905.db2.gz DRGQCPNOGVJVNS-IAGOWNOFSA-N 0 1 359.813 3.423 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189053291 496992268 /nfs/dbraw/zinc/99/22/68/496992268.db2.gz HSTCZWUJKLXYIW-KSSFIOAISA-N 0 1 371.412 3.494 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000269764548 497000888 /nfs/dbraw/zinc/00/08/88/497000888.db2.gz DMIXJBKDECNEBP-HOTGVXAUSA-N 0 1 372.425 3.135 20 5 FGBDMN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)N1C ZINC000574929416 505885110 /nfs/dbraw/zinc/88/51/10/505885110.db2.gz DICIOKZYCWHZPR-DTORHVGOSA-N 0 1 368.306 3.173 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000278619307 497169969 /nfs/dbraw/zinc/16/99/69/497169969.db2.gz OTNVHUVJBYPHSX-GXTWGEPZSA-N 0 1 362.430 3.024 20 5 FGBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000270663562 497173677 /nfs/dbraw/zinc/17/36/77/497173677.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 0 1 368.397 3.056 20 5 FGBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)[nH]c2c1 ZINC000270968423 497235967 /nfs/dbraw/zinc/23/59/67/497235967.db2.gz ZTZYNPZZHCVXAE-GFCCVEGCSA-N 0 1 353.382 3.127 20 5 FGBDMN CNC(=O)c1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279034773 497312019 /nfs/dbraw/zinc/31/20/19/497312019.db2.gz ITRRYRCBJOTIIG-GOSISDBHSA-N 0 1 353.422 3.467 20 5 FGBDMN O=C1C[C@@H](c2ccccc2)N(C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255691932 497373567 /nfs/dbraw/zinc/37/35/67/497373567.db2.gz FKTYAEUHLMNHNM-SMTIMMHKSA-N 0 1 351.406 3.171 20 5 FGBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000193486936 497393314 /nfs/dbraw/zinc/39/33/14/497393314.db2.gz WRFGLYWOUOQICV-UHFFFAOYSA-N 0 1 356.787 3.366 20 5 FGBDMN CC(C)(C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000267137012 497490743 /nfs/dbraw/zinc/49/07/43/497490743.db2.gz IYHJMJVSJQDDRA-UHFFFAOYSA-N 0 1 370.384 3.247 20 5 FGBDMN Cc1nn(C)c(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000272187820 497559008 /nfs/dbraw/zinc/55/90/08/497559008.db2.gz FBKLEUDNCGXFBF-CQSZACIVSA-N 0 1 373.461 3.187 20 5 FGBDMN Cc1nn(C)c(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1[N+](=O)[O-] ZINC000272187820 497559013 /nfs/dbraw/zinc/55/90/13/497559013.db2.gz FBKLEUDNCGXFBF-CQSZACIVSA-N 0 1 373.461 3.187 20 5 FGBDMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194059991 497560981 /nfs/dbraw/zinc/56/09/81/497560981.db2.gz LBFJIEWRTIYRII-QWHCGFSZSA-N 0 1 355.394 3.475 20 5 FGBDMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000276387634 497561439 /nfs/dbraw/zinc/56/14/39/497561439.db2.gz UHEGICZEGVNYDK-NSHDSACASA-N 0 1 356.304 3.274 20 5 FGBDMN CCS(=O)(=O)CCCCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000276523240 497592387 /nfs/dbraw/zinc/59/23/87/497592387.db2.gz WPTJBLJJZLQWCN-UHFFFAOYSA-N 0 1 356.488 3.410 20 5 FGBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1n[nH]nc1-c1ccccc1 ZINC000194196210 497598988 /nfs/dbraw/zinc/59/89/88/497598988.db2.gz XKEZCIIWOJRKBV-UHFFFAOYSA-N 0 1 365.393 3.133 20 5 FGBDMN COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000272825788 497739250 /nfs/dbraw/zinc/73/92/50/497739250.db2.gz LUTVTXIESDWBFE-CYBMUJFWSA-N 0 1 364.427 3.089 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000277163886 497761889 /nfs/dbraw/zinc/76/18/89/497761889.db2.gz XKJXVAQOTJOHJT-BDAKNGLRSA-N 0 1 351.794 3.371 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)Cc1c(F)cccc1F ZINC000194771871 497766302 /nfs/dbraw/zinc/76/63/02/497766302.db2.gz WRUIXUASUYKTCZ-UHFFFAOYSA-N 0 1 356.350 3.432 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000296019611 497892728 /nfs/dbraw/zinc/89/27/28/497892728.db2.gz LSPNNRGWDSOYJE-QGZVFWFLSA-N 0 1 366.381 3.075 20 5 FGBDMN 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FGBDMN CCn1c(=O)c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473814 501133864 /nfs/dbraw/zinc/13/38/64/501133864.db2.gz IOXGRNPDARVPEC-UHFFFAOYSA-N 0 1 357.391 3.323 20 5 FGBDMN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000436611571 501170143 /nfs/dbraw/zinc/17/01/43/501170143.db2.gz WSADXVBXNUQCDD-UHFFFAOYSA-N 0 1 364.379 3.002 20 5 FGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000447080238 501201892 /nfs/dbraw/zinc/20/18/92/501201892.db2.gz ZVYGDFMFHWVAST-UHFFFAOYSA-N 0 1 355.398 3.369 20 5 FGBDMN CN(CC1(O)CCCCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451057838 501242497 /nfs/dbraw/zinc/24/24/97/501242497.db2.gz RRQLOGUCWWXESQ-UHFFFAOYSA-N 0 1 372.425 3.142 20 5 FGBDMN Cc1cccc(C)c1OCCNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109735 501246469 /nfs/dbraw/zinc/24/64/69/501246469.db2.gz YXPHCNDOFMZIGU-INIZCTEOSA-N 0 1 371.437 3.057 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000451159985 501249002 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357.345 3.448 20 5 FGBDMN COc1ccc(-c2nc(CNc3cc(C)c([N+](=O)[O-])cc3F)n[nH]2)cc1 ZINC000461784946 502201017 /nfs/dbraw/zinc/20/10/17/502201017.db2.gz LPLNPKJVENXOHT-UHFFFAOYSA-N 0 1 357.345 3.448 20 5 FGBDMN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC000475709726 502261154 /nfs/dbraw/zinc/26/11/54/502261154.db2.gz NDMFRXKNSGOOAR-LBPRGKRZSA-N 0 1 371.393 3.389 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479530166 502287755 /nfs/dbraw/zinc/28/77/55/502287755.db2.gz MFVAQQKILIAFSB-HUUCEWRRSA-N 0 1 353.422 3.485 20 5 FGBDMN COc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000475829949 502302825 /nfs/dbraw/zinc/30/28/25/502302825.db2.gz RYPYHQNISUKKIP-UHFFFAOYSA-N 0 1 360.750 3.197 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccc(C)cc2C1 ZINC000483316636 502348526 /nfs/dbraw/zinc/34/85/26/502348526.db2.gz QSCYMYWHDVBGRL-UHFFFAOYSA-N 0 1 355.394 3.256 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCSCC1 ZINC000462267589 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ZINC000602919086 506350973 /nfs/dbraw/zinc/35/09/73/506350973.db2.gz WYFZAXNSPJCLNR-XWIAVFTESA-N 0 1 355.394 3.042 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000506335059 503096469 /nfs/dbraw/zinc/09/64/69/503096469.db2.gz NKZXGNUGWSYYIX-SFHVURJKSA-N 0 1 360.389 3.290 20 5 FGBDMN CC(C)[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000490296172 503149094 /nfs/dbraw/zinc/14/90/94/503149094.db2.gz FPLFJNNLXKWMEB-CQSZACIVSA-N 0 1 371.890 3.139 20 5 FGBDMN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490369735 503162981 /nfs/dbraw/zinc/16/29/81/503162981.db2.gz LVCIFQNNRYCYMI-MRXNPFEDSA-N 0 1 362.474 3.250 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000507087309 503227252 /nfs/dbraw/zinc/22/72/52/503227252.db2.gz JWGRZVHXHTULOO-SFHVURJKSA-N 0 1 356.378 3.122 20 5 FGBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000511062225 503244733 /nfs/dbraw/zinc/24/47/33/503244733.db2.gz CRZBCAYQGPUISZ-IBGZPJMESA-N 0 1 353.422 3.265 20 5 FGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cn1 ZINC000511068133 503245785 /nfs/dbraw/zinc/24/57/85/503245785.db2.gz YSVNHCOEMCQMKM-UHFFFAOYSA-N 0 1 350.216 3.427 20 5 FGBDMN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507244116 503258929 /nfs/dbraw/zinc/25/89/29/503258929.db2.gz PVXLBHATEWDWPZ-RYUDHWBXSA-N 0 1 353.382 3.149 20 5 FGBDMN CC1(C)C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000507275236 503266522 /nfs/dbraw/zinc/26/65/22/503266522.db2.gz ASASZGHYXWCTMO-OAHLLOKOSA-N 0 1 360.341 3.472 20 5 FGBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(CC)CC ZINC000507283321 503268869 /nfs/dbraw/zinc/26/88/69/503268869.db2.gz QPOMJQPMTAGAFX-JKSUJKDBSA-N 0 1 350.415 3.356 20 5 FGBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000498825432 503270418 /nfs/dbraw/zinc/27/04/18/503270418.db2.gz UKCOLOQCUYPVSD-HNNXBMFYSA-N 0 1 361.398 3.009 20 5 FGBDMN CCOc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000492481161 503371475 /nfs/dbraw/zinc/37/14/75/503371475.db2.gz CVRLGXMBTBTUFW-AWEZNQCLSA-N 0 1 350.415 3.157 20 5 FGBDMN COc1cc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)ccc1O ZINC000492678674 503379545 /nfs/dbraw/zinc/37/95/45/503379545.db2.gz FIFQKWXAKHYZNZ-UHFFFAOYSA-N 0 1 358.394 3.482 20 5 FGBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000508022845 503415265 /nfs/dbraw/zinc/41/52/65/503415265.db2.gz LEPCOLWJNCMCLQ-UHFFFAOYSA-N 0 1 351.244 3.137 20 5 FGBDMN CN(Cc1ccccc1)C1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000512404471 503539177 /nfs/dbraw/zinc/53/91/77/503539177.db2.gz SKJGWJSPPJMCLW-UHFFFAOYSA-N 0 1 364.405 3.033 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000500251143 503588577 /nfs/dbraw/zinc/58/85/77/503588577.db2.gz NHYQEJHFIRUPAX-ZFWWWQNUSA-N 0 1 355.394 3.060 20 5 FGBDMN Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536679798 503676807 /nfs/dbraw/zinc/67/68/07/503676807.db2.gz OFRYZDRWOVEJQN-HNNXBMFYSA-N 0 1 372.473 3.245 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)C2 ZINC000527251334 503739705 /nfs/dbraw/zinc/73/97/05/503739705.db2.gz HQEQRVNCCWXHMQ-CYBMUJFWSA-N 0 1 368.437 3.131 20 5 FGBDMN C[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000540374854 503751757 /nfs/dbraw/zinc/75/17/57/503751757.db2.gz SYEREFBMWSINPP-IFXJQAMLSA-N 0 1 353.422 3.439 20 5 FGBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000540395590 503758215 /nfs/dbraw/zinc/75/82/15/503758215.db2.gz ASYMSQBFISWQNM-STQMWFEESA-N 0 1 363.439 3.378 20 5 FGBDMN O=C(CN1CC[C@H](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533293924 503795960 /nfs/dbraw/zinc/79/59/60/503795960.db2.gz ZYVPGEOLJFHIFK-QGZVFWFLSA-N 0 1 365.433 3.049 20 5 FGBDMN Cc1ccccc1[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533401476 503831529 /nfs/dbraw/zinc/83/15/29/503831529.db2.gz QXKMOYJKVJEJCB-OXQOHEQNSA-N 0 1 365.433 3.498 20 5 FGBDMN CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533426503 503841462 /nfs/dbraw/zinc/84/14/62/503841462.db2.gz JTZDJSWXRHZXJG-GXTWGEPZSA-N 0 1 363.414 3.163 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](COC)C2)cc1OC ZINC000543844614 503912749 /nfs/dbraw/zinc/91/27/49/503912749.db2.gz WZPCALDHJWEDSL-CABCVRRESA-N 0 1 366.458 3.497 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000541072219 503996545 /nfs/dbraw/zinc/99/65/45/503996545.db2.gz JBRAWPICGWMVRX-UHFFFAOYSA-N 0 1 360.750 3.197 20 5 FGBDMN COc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000541141017 504021411 /nfs/dbraw/zinc/02/14/11/504021411.db2.gz SEKRVNSCQNVGPZ-UHFFFAOYSA-N 0 1 356.313 3.385 20 5 FGBDMN Cc1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc([N+](=O)[O-])c1 ZINC000547211193 504021808 /nfs/dbraw/zinc/02/18/08/504021808.db2.gz HHSOZVGZOXBKKV-UHFFFAOYSA-N 0 1 362.349 3.329 20 5 FGBDMN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000530663856 504044519 /nfs/dbraw/zinc/04/45/19/504044519.db2.gz FDZGYRDSISWYNS-UHFFFAOYSA-N 0 1 357.252 3.063 20 5 FGBDMN C[C@@H](C(=O)N1CCN(CCC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541693673 504224718 /nfs/dbraw/zinc/22/47/18/504224718.db2.gz NBWLLMYJKMOENW-CQSZACIVSA-N 0 1 365.449 3.418 20 5 FGBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519550467 504250392 /nfs/dbraw/zinc/25/03/92/504250392.db2.gz KHFVLFXOGMZICD-KSSFIOAISA-N 0 1 374.462 3.424 20 5 FGBDMN Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000544837144 504274883 /nfs/dbraw/zinc/27/48/83/504274883.db2.gz OKELTXBUSOQAJR-UHFFFAOYSA-N 0 1 366.361 3.447 20 5 FGBDMN O=C(c1cc(-c2ccoc2)[nH]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535019593 504316326 /nfs/dbraw/zinc/31/63/26/504316326.db2.gz PQHFAWZTBMTFJB-UHFFFAOYSA-N 0 1 352.350 3.383 20 5 FGBDMN Cc1cc(C)c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000519891901 504376906 /nfs/dbraw/zinc/37/69/06/504376906.db2.gz ZJVZOQFLFYTYRJ-UHFFFAOYSA-N 0 1 352.387 3.138 20 5 FGBDMN COc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2OC)cc1[N+](=O)[O-] ZINC000539072347 504464645 /nfs/dbraw/zinc/46/46/45/504464645.db2.gz XRRKRRKEYQZYLM-LBPRGKRZSA-N 0 1 373.409 3.421 20 5 FGBDMN CCc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000535554183 504469026 /nfs/dbraw/zinc/46/90/26/504469026.db2.gz RQOGUXWRCFEHDD-PKOBYXMFSA-N 0 1 353.422 3.332 20 5 FGBDMN CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000545472332 504498685 /nfs/dbraw/zinc/49/86/85/504498685.db2.gz UHEUVWHRDSHQIA-UWVGGRQHSA-N 0 1 363.336 3.251 20 5 FGBDMN CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545593006 504535598 /nfs/dbraw/zinc/53/55/98/504535598.db2.gz CMSYYSRZIGWMOJ-UHFFFAOYSA-N 0 1 371.397 3.361 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2=O)c1 ZINC000532216995 504576719 /nfs/dbraw/zinc/57/67/19/504576719.db2.gz SSJWBWLCXNMLBK-CABCVRRESA-N 0 1 369.421 3.368 20 5 FGBDMN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548927539 504622538 /nfs/dbraw/zinc/62/25/38/504622538.db2.gz LWWLFDQGGYVORY-INIZCTEOSA-N 0 1 367.449 3.043 20 5 FGBDMN COCC(=O)Nc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532454201 504655917 /nfs/dbraw/zinc/65/59/17/504655917.db2.gz BRETYWQBHPDKPG-AWEZNQCLSA-N 0 1 357.410 3.339 20 5 FGBDMN COc1ccc(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000532471724 504662032 /nfs/dbraw/zinc/66/20/32/504662032.db2.gz VCRPNVDFYCVYDB-JLJPHGGASA-N 0 1 361.442 3.443 20 5 FGBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC2(O)CCC2)cc1OC ZINC000546094310 504708896 /nfs/dbraw/zinc/70/88/96/504708896.db2.gz UQIDSDNGAHFKBD-CQSZACIVSA-N 0 1 366.458 3.375 20 5 FGBDMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173661 504712526 /nfs/dbraw/zinc/71/25/26/504712526.db2.gz UCSWDNNKUTZOEA-QGZVFWFLSA-N 0 1 369.465 3.425 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000562736070 504927620 /nfs/dbraw/zinc/92/76/20/504927620.db2.gz TWRWZDVHXGFJTG-SCLBCKFNSA-N 0 1 357.385 3.498 20 5 FGBDMN Cc1cc(NCc2ccc(C[S@@](C)=O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000553708666 504988571 /nfs/dbraw/zinc/98/85/71/504988571.db2.gz YBDOCESDOAJHPR-AREMUKBSSA-N 0 1 369.446 3.364 20 5 FGBDMN COc1cc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565899151 505021025 /nfs/dbraw/zinc/02/10/25/505021025.db2.gz SGQCSKVBNSQVDW-AWEZNQCLSA-N 0 1 358.394 3.326 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000556992371 505039451 /nfs/dbraw/zinc/03/94/51/505039451.db2.gz PJNLAPGOXHSUNJ-UHFFFAOYSA-N 0 1 361.442 3.011 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)c2cccnc21 ZINC000563304856 505102207 /nfs/dbraw/zinc/10/22/07/505102207.db2.gz MRASPSCRBOJVKF-IAGOWNOFSA-N 0 1 356.426 3.198 20 5 FGBDMN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000557468079 505143477 /nfs/dbraw/zinc/14/34/77/505143477.db2.gz DMKKKCHPVSMAFN-RISCZKNCSA-N 0 1 358.398 3.248 20 5 FGBDMN Cc1cccc(C)c1NC(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000563661984 505204322 /nfs/dbraw/zinc/20/43/22/505204322.db2.gz PHWIJTWMFLMUGB-UHFFFAOYSA-N 0 1 350.378 3.232 20 5 FGBDMN COCc1nc([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000566707440 505249479 /nfs/dbraw/zinc/24/94/79/505249479.db2.gz SFWNMBBCNJEAFY-AWEZNQCLSA-N 0 1 365.821 3.240 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)ccc1[N+](=O)[O-] ZINC000564005475 505300488 /nfs/dbraw/zinc/30/04/88/505300488.db2.gz SNWRSSFBWGMOGJ-UHFFFAOYSA-N 0 1 369.830 3.423 20 5 FGBDMN COc1cc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567180219 505386446 /nfs/dbraw/zinc/38/64/46/505386446.db2.gz CMUMZLLSBFYUNN-WBVHZDCISA-N 0 1 362.426 3.459 20 5 FGBDMN CN(Cc1nnc[nH]1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000552064719 505387757 /nfs/dbraw/zinc/38/77/57/505387757.db2.gz KMADMVFKLDPXDB-UHFFFAOYSA-N 0 1 357.345 3.276 20 5 FGBDMN Cn1ccnc1[C@H](NC[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000552064068 505387902 /nfs/dbraw/zinc/38/79/02/505387902.db2.gz WNMHZQSXIZYRCM-SWLSCSKDSA-N 0 1 350.369 3.443 20 5 FGBDMN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)C)CC1 ZINC000555358090 505417107 /nfs/dbraw/zinc/41/71/07/505417107.db2.gz RUHSJLYUIWHGRV-UHFFFAOYSA-N 0 1 372.473 3.040 20 5 FGBDMN C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000564732787 505505648 /nfs/dbraw/zinc/50/56/48/505505648.db2.gz PMHKBZHIQWFOFN-KRWDZBQOSA-N 0 1 370.409 3.011 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1c(Cl)cccc1Cl ZINC000567678604 505533478 /nfs/dbraw/zinc/53/34/78/505533478.db2.gz XAQDTOZIWLPHSB-NSHDSACASA-N 0 1 371.220 3.431 20 5 FGBDMN CCOc1cc(-c2nc([C@H](N)CC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000567851987 505568255 /nfs/dbraw/zinc/56/82/55/505568255.db2.gz DPNLEURTXCXWCG-LLVKDONJSA-N 0 1 350.375 3.098 20 5 FGBDMN CCCCc1nc(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000593203892 506462670 /nfs/dbraw/zinc/46/26/70/506462670.db2.gz KLPHQNTXJBZLAL-UHFFFAOYSA-N 0 1 370.452 3.215 20 5 FGBDMN COc1ccc(-c2ccc(C[N@H+](CC(=O)[O-])CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000593333677 506549803 /nfs/dbraw/zinc/54/98/03/506549803.db2.gz YTABBRHVSSCNMB-UHFFFAOYSA-N 0 1 360.366 3.160 20 5 FGBDMN COc1cccc(CC2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000612391642 506558908 /nfs/dbraw/zinc/55/89/08/506558908.db2.gz FHJDRIRQPVBHHV-UHFFFAOYSA-N 0 1 370.405 3.404 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589501890 506570458 /nfs/dbraw/zinc/57/04/58/506570458.db2.gz YEKRNKTUOHDRAY-CRAIPNDOSA-N 0 1 350.415 3.017 20 5 FGBDMN CCc1ccc([C@@H](NCCCn2cncn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612415321 506570900 /nfs/dbraw/zinc/57/09/00/506570900.db2.gz RZAWKHVXUAYVSY-SFHVURJKSA-N 0 1 355.398 3.111 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864906 506642137 /nfs/dbraw/zinc/64/21/37/506642137.db2.gz NGQKRIKJSIGSSR-IAGOWNOFSA-N 0 1 353.422 3.172 20 5 FGBDMN CC(C)O[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000593788105 506776050 /nfs/dbraw/zinc/77/60/50/506776050.db2.gz YHWAASCCWUUSQO-HNNXBMFYSA-N 0 1 358.398 3.015 20 5 FGBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](CC)CO1 ZINC000593790339 506776852 /nfs/dbraw/zinc/77/68/52/506776852.db2.gz DPJLUHDNVGJASL-DZGCQCFKSA-N 0 1 358.398 3.015 20 5 FGBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000590441140 506824284 /nfs/dbraw/zinc/82/42/84/506824284.db2.gz AZLMYXVFJMURJW-PXAZEXFGSA-N 0 1 354.410 3.175 20 5 FGBDMN COC(=O)c1c(Cl)c(NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000590572696 506865382 /nfs/dbraw/zinc/86/53/82/506865382.db2.gz QGJQMOKOUKIKGB-NSHDSACASA-N 0 1 355.822 3.179 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000609703269 506978175 /nfs/dbraw/zinc/97/81/75/506978175.db2.gz BWUQDYJTWMYKCC-LBPRGKRZSA-N 0 1 366.830 3.210 20 5 FGBDMN 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FGBDMN CCc1[nH]nc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000332047631 498544379 /nfs/dbraw/zinc/54/43/79/498544379.db2.gz YMMJUZLGEMSYOZ-MNOVXSKESA-N 0 1 358.398 3.037 20 5 FGBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccncc1 ZINC000294066975 498578377 /nfs/dbraw/zinc/57/83/77/498578377.db2.gz WQPPTDGSJBBRMO-INIZCTEOSA-N 0 1 351.366 3.089 20 5 FGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000365811084 498651532 /nfs/dbraw/zinc/65/15/32/498651532.db2.gz KTZLNEJDUFCQKY-HNNXBMFYSA-N 0 1 366.425 3.098 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000283569114 498926220 /nfs/dbraw/zinc/92/62/20/498926220.db2.gz JNINDOQGHWBUPN-HNNXBMFYSA-N 0 1 363.439 3.088 20 5 FGBDMN COCCn1cc2c(n1)[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000368084214 499262414 /nfs/dbraw/zinc/26/24/14/499262414.db2.gz DXMWSLVFLGIGMH-ZGRWHYIRSA-N 0 1 356.426 3.118 20 5 FGBDMN Cc1ncc(CN2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000370960481 499275222 /nfs/dbraw/zinc/27/52/22/499275222.db2.gz GNYOIMTUXFNZAF-BLLLJJGKSA-N 0 1 374.466 3.000 20 5 FGBDMN O=C(N[C@H]1CCCOc2c3ccccc3ccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000371296570 499306929 /nfs/dbraw/zinc/30/69/29/499306929.db2.gz ALIVKPGQQMBPAX-AWEZNQCLSA-N 0 1 352.350 3.115 20 5 FGBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000371367209 499315884 /nfs/dbraw/zinc/31/58/84/499315884.db2.gz VIHSBBSTZZKWAS-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000371464099 499330410 /nfs/dbraw/zinc/33/04/10/499330410.db2.gz OPYBTAMDJOGKNH-DOTOQJQBSA-N 0 1 364.833 3.070 20 5 FGBDMN C[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369567033 499419024 /nfs/dbraw/zinc/41/90/24/499419024.db2.gz GFUNKDFOSIAHGZ-KBXCAEBGSA-N 0 1 359.451 3.008 20 5 FGBDMN Cc1ncc(CN2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000369591772 499423778 /nfs/dbraw/zinc/42/37/78/499423778.db2.gz NYGXBRZJVNIDKX-WBMJQRKESA-N 0 1 361.471 3.386 20 5 FGBDMN CSc1cccc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)c1[N+](=O)[O-] ZINC000372367813 499425390 /nfs/dbraw/zinc/42/53/90/499425390.db2.gz NQSOVZGIPFDDDD-GFCCVEGCSA-N 0 1 360.439 3.368 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389828568 499552885 /nfs/dbraw/zinc/55/28/85/499552885.db2.gz VESXOLLPURUUGU-CXAGYDPISA-N 0 1 355.394 3.225 20 5 FGBDMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000398055255 499566129 /nfs/dbraw/zinc/56/61/29/499566129.db2.gz VBUMDKPLLKQENJ-MRXNPFEDSA-N 0 1 372.425 3.257 20 5 FGBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000410642990 499672126 /nfs/dbraw/zinc/67/21/26/499672126.db2.gz ZKAXQQIKIIUUNF-WDEREUQCSA-N 0 1 359.348 3.168 20 5 FGBDMN Cc1cc([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000377869904 499743741 /nfs/dbraw/zinc/74/37/41/499743741.db2.gz ICONOIKMJAJRBV-CYBMUJFWSA-N 0 1 362.817 3.228 20 5 FGBDMN O=[N+]([O-])c1cc(Br)ccc1SCCN1CCCOCC1 ZINC000413001150 499903528 /nfs/dbraw/zinc/90/35/28/499903528.db2.gz RFTJGFYSCCWGQP-UHFFFAOYSA-N 0 1 361.261 3.172 20 5 FGBDMN Nc1nc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ncc1[N+](=O)[O-] ZINC000413382298 499947333 /nfs/dbraw/zinc/94/73/33/499947333.db2.gz YQVGUCXGAGJPPA-GFCCVEGCSA-N 0 1 373.804 3.059 20 5 FGBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000421797414 500154109 /nfs/dbraw/zinc/15/41/09/500154109.db2.gz SPHNPIMUJADTCB-CQSZACIVSA-N 0 1 369.425 3.227 20 5 FGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C)nc(N2CCCC2)n1 ZINC000430127546 500196647 /nfs/dbraw/zinc/19/66/47/500196647.db2.gz RSBCDVJNZGPIKC-GDNBJRDFSA-N 0 1 367.453 3.487 20 5 FGBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000582304973 506182189 /nfs/dbraw/zinc/18/21/89/506182189.db2.gz JKZXOIVDTVHZHP-LBPRGKRZSA-N 0 1 354.366 3.125 20 5 FGBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211323 500209243 /nfs/dbraw/zinc/20/92/43/500209243.db2.gz XRXOIRYTBOWKFB-GOEBONIOSA-N 0 1 363.458 3.120 20 5 FGBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211322 500209581 /nfs/dbraw/zinc/20/95/81/500209581.db2.gz XRXOIRYTBOWKFB-GDBMZVCRSA-N 0 1 363.458 3.120 20 5 FGBDMN COc1ccc(OCCN2CCC(OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000419287322 500349685 /nfs/dbraw/zinc/34/96/85/500349685.db2.gz PVNYQWYJYQMCBB-UHFFFAOYSA-N 0 1 350.415 3.016 20 5 FGBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc2nc[nH]c21 ZINC000427601136 500410669 /nfs/dbraw/zinc/41/06/69/500410669.db2.gz XMEFHSOJCCOIFI-UHFFFAOYSA-N 0 1 364.283 3.420 20 5 FGBDMN O=C(NCc1ccccc1OC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427921875 500445936 /nfs/dbraw/zinc/44/59/36/500445936.db2.gz JNXHIZLUDZVUOP-UHFFFAOYSA-N 0 1 356.256 3.129 20 5 FGBDMN CCc1ccc([C@H](NC[C@@H]2CCN(C)C(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000424322493 500486534 /nfs/dbraw/zinc/48/65/34/500486534.db2.gz JVWUANFWWKCKKS-JLTOFOAXSA-N 0 1 371.437 3.298 20 5 FGBDMN O=C(NCc1cnc[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442709028 500612496 /nfs/dbraw/zinc/61/24/96/500612496.db2.gz AJBJJGYKQHGIRI-UHFFFAOYSA-N 0 1 354.391 3.399 20 5 FGBDMN CCOC1CC(O)(CN[C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000447582767 500628946 /nfs/dbraw/zinc/62/89/46/500628946.db2.gz YEVQBSCOKWDIHF-SYYJFZTOSA-N 0 1 374.437 3.359 20 5 FGBDMN COc1ccc(C2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1 ZINC000434236627 500814559 /nfs/dbraw/zinc/81/45/59/500814559.db2.gz LPMUVOJKMJCITE-UHFFFAOYSA-N 0 1 372.425 3.470 20 5 FGBDMN COc1ccccc1C[C@@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444235851 500822194 /nfs/dbraw/zinc/82/21/94/500822194.db2.gz HALFORYQXYQKEZ-OAHLLOKOSA-N 0 1 371.437 3.129 20 5 FGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCO)[C@@H]1CCCSC1 ZINC000438994709 500845301 /nfs/dbraw/zinc/84/53/01/500845301.db2.gz CGGAVUHBQPRJAF-MRXNPFEDSA-N 0 1 354.472 3.072 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCN(c4ncccc4Cl)C3)nc2c1 ZINC000602571405 506221205 /nfs/dbraw/zinc/22/12/05/506221205.db2.gz ZNSNDQRLPIOYBI-NSHDSACASA-N 0 1 373.800 3.153 20 5 FGBDMN CCC[C@@]1(CO)CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000444765477 500895207 /nfs/dbraw/zinc/89/52/07/500895207.db2.gz JIDTZDIBHBISCH-KRWDZBQOSA-N 0 1 374.384 3.332 20 5 FGBDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900567 500909798 /nfs/dbraw/zinc/90/97/98/500909798.db2.gz NVSOWJRBVFGONR-DNVCBOLYSA-N 0 1 365.433 3.362 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435587107 500996211 /nfs/dbraw/zinc/99/62/11/500996211.db2.gz DUCPHUYTDDVANM-AULYBMBSSA-N 0 1 368.361 3.098 20 5 FGBDMN NC(=O)c1cccc(CN(C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000449410282 500996943 /nfs/dbraw/zinc/99/69/43/500996943.db2.gz VNLLKBPUGUNPIK-YWEYNIOJSA-N 0 1 351.406 3.372 20 5 FGBDMN O=C(NCC1(Cc2ccccc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435689122 501012198 /nfs/dbraw/zinc/01/21/98/501012198.db2.gz WUANFHWDMZPXAN-UHFFFAOYSA-N 0 1 350.378 3.224 20 5 FGBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nn(C)cc1Br ZINC000449484529 501014448 /nfs/dbraw/zinc/01/44/48/501014448.db2.gz MRLXHMFITNTFMR-LLVKDONJSA-N 0 1 367.247 3.202 20 5 FGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000440753592 501045459 /nfs/dbraw/zinc/04/54/59/501045459.db2.gz ZVGSZZMAVBIGSR-LBPRGKRZSA-N 0 1 374.788 3.133 20 5 FGBDMN COc1ccc(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000445884304 501046328 /nfs/dbraw/zinc/04/63/28/501046328.db2.gz JENQQEXVVRVVSY-LBPRGKRZSA-N 0 1 363.336 3.109 20 5 FGBDMN COc1ccc(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000445884303 501046518 /nfs/dbraw/zinc/04/65/18/501046518.db2.gz JENQQEXVVRVVSY-GFCCVEGCSA-N 0 1 363.336 3.109 20 5 FGBDMN CCN1CCC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436423748 501125063 /nfs/dbraw/zinc/12/50/63/501125063.db2.gz VZINGBBOGZHCKP-CYBMUJFWSA-N 0 1 367.424 3.035 20 5 FGBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000441354091 501125728 /nfs/dbraw/zinc/12/57/28/501125728.db2.gz HJQWEGOTYLNFTR-XIKOKIGWSA-N 0 1 373.384 3.140 20 5 FGBDMN O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000446715526 501155651 /nfs/dbraw/zinc/15/56/51/501155651.db2.gz CTGRCAJMGGDLQF-UHFFFAOYSA-N 0 1 355.181 3.434 20 5 FGBDMN CC[N@@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC000588225832 506242168 /nfs/dbraw/zinc/24/21/68/506242168.db2.gz DWUZNWNXDXNYJL-UHFFFAOYSA-N 0 1 365.477 3.001 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000451048343 501241731 /nfs/dbraw/zinc/24/17/31/501241731.db2.gz DZCRDOQCQQJYSI-KRWDZBQOSA-N 0 1 364.423 3.287 20 5 FGBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCCC1(F)F ZINC000451637046 501340922 /nfs/dbraw/zinc/34/09/22/501340922.db2.gz AHVFBKMESBXCHP-SECBINFHSA-N 0 1 368.789 3.352 20 5 FGBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000451730798 501361707 /nfs/dbraw/zinc/36/17/07/501361707.db2.gz CBMXOWGNIGRDLB-IRXDYDNUSA-N 0 1 364.833 3.033 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451987600 501414321 /nfs/dbraw/zinc/41/43/21/501414321.db2.gz YUMWHNYKVJEQAG-KSSFIOAISA-N 0 1 363.483 3.449 20 5 FGBDMN O=C(NCc1ccc2cncn2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459196686 501612061 /nfs/dbraw/zinc/61/20/61/501612061.db2.gz CHSDEWRBCPXTHP-UHFFFAOYSA-N 0 1 365.393 3.117 20 5 FGBDMN C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457487844 501708191 /nfs/dbraw/zinc/70/81/91/501708191.db2.gz VIPXSTCNTGPHJE-UGSOOPFHSA-N 0 1 374.416 3.397 20 5 FGBDMN C[C@@H](Cc1cccc(F)c1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459778066 501712513 /nfs/dbraw/zinc/71/25/13/501712513.db2.gz ZBXOUPPSHMDRLF-AWEZNQCLSA-N 0 1 371.412 3.186 20 5 FGBDMN COC(=O)COc1ccc(CNCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000474344962 501798622 /nfs/dbraw/zinc/79/86/22/501798622.db2.gz DZPUSMJLTXEUNF-UHFFFAOYSA-N 0 1 364.785 3.090 20 5 FGBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000474349890 501800877 /nfs/dbraw/zinc/80/08/77/501800877.db2.gz KUVPSIYWEUSNPV-MRXNPFEDSA-N 0 1 374.368 3.063 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)nc1-c1ccc(F)cc1 ZINC000485399065 501809455 /nfs/dbraw/zinc/80/94/55/501809455.db2.gz AUDAWEYLSBVPOQ-AWEZNQCLSA-N 0 1 353.357 3.430 20 5 FGBDMN COc1cc(NC[C@H](c2ccccc2OC)N(C)C)c([N+](=O)[O-])cc1F ZINC000467718173 501853203 /nfs/dbraw/zinc/85/32/03/501853203.db2.gz MBSWZKBIFXKLBP-MRXNPFEDSA-N 0 1 363.389 3.466 20 5 FGBDMN CSc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485750787 501924345 /nfs/dbraw/zinc/92/43/45/501924345.db2.gz COSLENDAKWEUDQ-OAHLLOKOSA-N 0 1 371.462 3.321 20 5 FGBDMN CCc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000468034200 501936791 /nfs/dbraw/zinc/93/67/91/501936791.db2.gz SNQRZTJKJQZHIM-UHFFFAOYSA-N 0 1 353.382 3.352 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2noc(CN(CCO)CC3CCCCC3)n2)c1 ZINC000485886952 501976241 /nfs/dbraw/zinc/97/62/41/501976241.db2.gz DSLOIIFHVOPDHU-UHFFFAOYSA-N 0 1 360.414 3.019 20 5 FGBDMN Cc1c([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1 ZINC000482506448 502092546 /nfs/dbraw/zinc/09/25/46/502092546.db2.gz ZIUJASOVVMUIBB-AWEZNQCLSA-N 0 1 351.410 3.377 20 5 FGBDMN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000596180906 506296014 /nfs/dbraw/zinc/29/60/14/506296014.db2.gz ZVAMSSNRWCABQR-DOTOQJQBSA-N 0 1 374.828 3.204 20 5 FGBDMN CSc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000486475215 502164166 /nfs/dbraw/zinc/16/41/66/502164166.db2.gz ADVKRFKNQVZBNM-ZDUSSCGKSA-N 0 1 365.480 3.411 20 5 FGBDMN Cc1ccc(C)c(S(=O)(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000479136412 502173517 /nfs/dbraw/zinc/17/35/17/502173517.db2.gz VMSSXWKFQVHGRL-ZDUSSCGKSA-N 0 1 366.361 3.221 20 5 FGBDMN C[C@H](N[C@H](CO)c1ccnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599055726 506298039 /nfs/dbraw/zinc/29/80/39/506298039.db2.gz PBRNZHAPHYMDIH-GXTWGEPZSA-N 0 1 372.450 3.441 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000483013746 502244238 /nfs/dbraw/zinc/24/42/38/502244238.db2.gz GKRYOOXTGRENRR-GOSISDBHSA-N 0 1 360.389 3.384 20 5 FGBDMN COc1cc(CN2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000475679689 502252543 /nfs/dbraw/zinc/25/25/43/502252543.db2.gz NJVHUQXUPBESFZ-HXUWFJFHSA-N 0 1 374.412 3.312 20 5 FGBDMN Cc1ccc2nc(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000465658860 502339044 /nfs/dbraw/zinc/33/90/44/502339044.db2.gz LJLNDOBXYDOCQL-LBPRGKRZSA-N 0 1 353.382 3.340 20 5 FGBDMN CC(C)C[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000466666159 502636323 /nfs/dbraw/zinc/63/63/23/502636323.db2.gz LOMVUDSZONGMJU-ZDUSSCGKSA-N 0 1 363.414 3.163 20 5 FGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(c2nc(C)ns2)CC1 ZINC000470174207 502693844 /nfs/dbraw/zinc/69/38/44/502693844.db2.gz IWLOSKUJLKVBAF-SDNWHVSQSA-N 0 1 373.482 3.370 20 5 FGBDMN CC(C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000495385358 502832437 /nfs/dbraw/zinc/83/24/37/502832437.db2.gz KVWVLKLLYJAWGH-KRWDZBQOSA-N 0 1 355.398 3.003 20 5 FGBDMN Cc1ccccc1C[C@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000509154907 502834640 /nfs/dbraw/zinc/83/46/40/502834640.db2.gz JBFXRNZDTODQSZ-ZDUSSCGKSA-N 0 1 352.394 3.483 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(CN2CCN(CCc3cccs3)CC2)c(F)c1 ZINC000509264446 502862943 /nfs/dbraw/zinc/86/29/43/502862943.db2.gz PXCSHDWGVUTMAY-UHFFFAOYSA-N 0 1 367.421 3.295 20 5 FGBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513223462 502882090 /nfs/dbraw/zinc/88/20/90/502882090.db2.gz NVHQPHMTTXDKHT-SNVBAGLBSA-N 0 1 373.800 3.414 20 5 FGBDMN Cc1ccccc1C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505424960 502902335 /nfs/dbraw/zinc/90/23/35/502902335.db2.gz IXOBJQSZSDIKPU-UHFFFAOYSA-N 0 1 352.394 3.487 20 5 FGBDMN CC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000599160581 506353290 /nfs/dbraw/zinc/35/32/90/506353290.db2.gz MLRSMTKIZQNRPM-UHFFFAOYSA-N 0 1 373.375 3.305 20 5 FGBDMN O=[N+]([O-])c1ccn(CCNC2(c3ccccc3Br)CCC2)n1 ZINC000593040077 506353353 /nfs/dbraw/zinc/35/33/53/506353353.db2.gz NZBYHLAJNYWNCD-UHFFFAOYSA-N 0 1 365.231 3.223 20 5 FGBDMN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506598541 503141589 /nfs/dbraw/zinc/14/15/89/503141589.db2.gz UHXSYKADUISVEH-UHFFFAOYSA-N 0 1 358.350 3.003 20 5 FGBDMN COc1ccc(CN2CCCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510557826 503144059 /nfs/dbraw/zinc/14/40/59/503144059.db2.gz GUJNONKDHGWZAE-UHFFFAOYSA-N 0 1 372.421 3.405 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000506852579 503184839 /nfs/dbraw/zinc/18/48/39/503184839.db2.gz XKCNSSHEPPSJPI-VXGBXAGGSA-N 0 1 359.430 3.381 20 5 FGBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000498573914 503217090 /nfs/dbraw/zinc/21/70/90/503217090.db2.gz FRTOJOKAJRHTEX-WDEREUQCSA-N 0 1 359.348 3.168 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502565551 503226382 /nfs/dbraw/zinc/22/63/82/503226382.db2.gz FFKNHKFFKOMGHT-UHFFFAOYSA-N 0 1 367.449 3.470 20 5 FGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507253723 503261602 /nfs/dbraw/zinc/26/16/02/503261602.db2.gz RGGAVTAMRIJIBU-UHFFFAOYSA-N 0 1 355.394 3.336 20 5 FGBDMN COc1ccccc1[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccco1 ZINC000507275257 503266236 /nfs/dbraw/zinc/26/62/36/503266236.db2.gz AYBKDLABDSFDAB-SFHVURJKSA-N 0 1 368.345 3.421 20 5 FGBDMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507339923 503280676 /nfs/dbraw/zinc/28/06/76/503280676.db2.gz SJJUADSQSBEZAK-JKSUJKDBSA-N 0 1 362.769 3.214 20 5 FGBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000502869112 503294073 /nfs/dbraw/zinc/29/40/73/503294073.db2.gz GKPZXBFWFWHSOZ-INIZCTEOSA-N 0 1 358.423 3.170 20 5 FGBDMN CN(C)C(=O)NCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000499238640 503362452 /nfs/dbraw/zinc/36/24/52/503362452.db2.gz AWWJBRMTAYAFIG-UHFFFAOYSA-N 0 1 362.455 3.026 20 5 FGBDMN CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593068692 506371135 /nfs/dbraw/zinc/37/11/35/506371135.db2.gz GLGQGLAQRATOTJ-CYBMUJFWSA-N 0 1 374.384 3.248 20 5 FGBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000493460788 503427913 /nfs/dbraw/zinc/42/79/13/503427913.db2.gz KGKGGSWXNZEECK-GFCCVEGCSA-N 0 1 374.466 3.353 20 5 FGBDMN CCOc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000516141932 503453918 /nfs/dbraw/zinc/45/39/18/503453918.db2.gz OIJBVSMCWDRZIM-UHFFFAOYSA-N 0 1 363.458 3.188 20 5 FGBDMN COC(=O)c1cc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000602999444 506377047 /nfs/dbraw/zinc/37/70/47/506377047.db2.gz IHOMGWMITANAHS-GFCCVEGCSA-N 0 1 359.382 3.310 20 5 FGBDMN COc1cccc(N2C[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000500251140 503588557 /nfs/dbraw/zinc/58/85/57/503588557.db2.gz NHYQEJHFIRUPAX-DZGCQCFKSA-N 0 1 355.394 3.060 20 5 FGBDMN Cc1c([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)cccc1[N+](=O)[O-] ZINC000536849953 503741513 /nfs/dbraw/zinc/74/15/13/503741513.db2.gz DWMVYVIFEIJWSV-ZDUSSCGKSA-N 0 1 360.435 3.084 20 5 FGBDMN CCc1ccc([C@@H](N[C@H]2CCN(CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402649 503755628 /nfs/dbraw/zinc/75/56/28/503755628.db2.gz LXNJCUOSEZSFBR-JXFKEZNVSA-N 0 1 373.453 3.150 20 5 FGBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000543638707 503837611 /nfs/dbraw/zinc/83/76/11/503837611.db2.gz FYLKSTJVKDKCHU-ZDUSSCGKSA-N 0 1 352.391 3.220 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2OC)N(C)C)c1 ZINC000543877206 503925184 /nfs/dbraw/zinc/92/51/84/503925184.db2.gz QHUSWTHGTWQVMV-QGZVFWFLSA-N 0 1 373.409 3.105 20 5 FGBDMN O=[N+]([O-])c1ccc(CCN[C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000544357688 504101240 /nfs/dbraw/zinc/10/12/40/504101240.db2.gz WWOOJVQTFMHCGD-LJQANCHMSA-N 0 1 352.369 3.446 20 5 FGBDMN C[C@H](Cc1ccccc1)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544408824 504121529 /nfs/dbraw/zinc/12/15/29/504121529.db2.gz VOFUZCZRBHLFCW-QGZVFWFLSA-N 0 1 367.449 3.231 20 5 FGBDMN COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000538128249 504138163 /nfs/dbraw/zinc/13/81/63/504138163.db2.gz MCKQWNVUIXVETM-QWHCGFSZSA-N 0 1 373.409 3.290 20 5 FGBDMN CCc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000531069016 504177712 /nfs/dbraw/zinc/17/77/12/504177712.db2.gz BCUZAQQMFSCQJE-UHFFFAOYSA-N 0 1 369.356 3.011 20 5 FGBDMN CCc1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000531069016 504177716 /nfs/dbraw/zinc/17/77/16/504177716.db2.gz BCUZAQQMFSCQJE-UHFFFAOYSA-N 0 1 369.356 3.011 20 5 FGBDMN CCc1cnccc1[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000542124799 504371995 /nfs/dbraw/zinc/37/19/95/504371995.db2.gz SHAXIDAIMDLFTH-FZKQIMNGSA-N 0 1 354.410 3.008 20 5 FGBDMN CCc1nncn1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000545265599 504422890 /nfs/dbraw/zinc/42/28/90/504422890.db2.gz UXRUBQWGNPKLBW-IBGZPJMESA-N 0 1 351.410 3.128 20 5 FGBDMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000520293228 504456674 /nfs/dbraw/zinc/45/66/74/504456674.db2.gz YTOUMHPOUUOYKJ-INIZCTEOSA-N 0 1 361.442 3.075 20 5 FGBDMN C[C@@H]1CN(C[C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548614401 504496463 /nfs/dbraw/zinc/49/64/63/504496463.db2.gz PCYCMNPHDDQUOA-BZUAXINKSA-N 0 1 370.453 3.221 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000532584633 504702916 /nfs/dbraw/zinc/70/29/16/504702916.db2.gz ZXFIERHXMOUHJI-QGZVFWFLSA-N 0 1 353.422 3.406 20 5 FGBDMN C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000521460805 504741354 /nfs/dbraw/zinc/74/13/54/504741354.db2.gz MVVQEKHSTZLBEQ-FSPWUOQZSA-N 0 1 351.406 3.366 20 5 FGBDMN O=C([O-])Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565037924 504778333 /nfs/dbraw/zinc/77/83/33/504778333.db2.gz FJRKEDGHISFVBQ-QGZVFWFLSA-N 0 1 369.421 3.298 20 5 FGBDMN C[C@@H](CCc1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559451585 504866882 /nfs/dbraw/zinc/86/68/82/504866882.db2.gz UVZFRBKNJXPOHN-KRWDZBQOSA-N 0 1 367.449 3.374 20 5 FGBDMN Cc1cc(N[C@@H]2CCOC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000565736641 504972742 /nfs/dbraw/zinc/97/27/42/504972742.db2.gz IHRLHFVTIMCHNZ-CQSZACIVSA-N 0 1 357.410 3.013 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOC[C@H]3C3CCC3)o2)c1 ZINC000566185621 505107000 /nfs/dbraw/zinc/10/70/00/505107000.db2.gz MPGDRXUBPODKAG-KRWDZBQOSA-N 0 1 357.410 3.293 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2ccccc2)C1 ZINC000554409195 505167860 /nfs/dbraw/zinc/16/78/60/505167860.db2.gz LHYOMIXNNORDSQ-CQSZACIVSA-N 0 1 350.378 3.491 20 5 FGBDMN CCS(=O)(=O)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566474352 505185185 /nfs/dbraw/zinc/18/51/85/505185185.db2.gz GXASJJICABGCSK-QGZVFWFLSA-N 0 1 360.435 3.166 20 5 FGBDMN CCO[C@@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCC2 ZINC000566588280 505214009 /nfs/dbraw/zinc/21/40/09/505214009.db2.gz 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ZINC000185742217 495706164 /nfs/dbraw/zinc/70/61/64/495706164.db2.gz QZQFRNBIMPZFMU-CZUORRHYSA-N 0 1 372.425 3.099 20 5 FGBDMN Cc1c(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cccc1[N+](=O)[O-] ZINC000179828711 495751637 /nfs/dbraw/zinc/75/16/37/495751637.db2.gz YLFKVIHBQUXQSM-LBPRGKRZSA-N 0 1 366.414 3.297 20 5 FGBDMN CC[C@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173951562 495761746 /nfs/dbraw/zinc/76/17/46/495761746.db2.gz NTJCWKJMEKGBHR-PBHICJAKSA-N 0 1 365.455 3.014 20 5 FGBDMN CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000171202179 495766773 /nfs/dbraw/zinc/76/67/73/495766773.db2.gz SZRGXYBTECOROG-MRXNPFEDSA-N 0 1 360.414 3.070 20 5 FGBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2[nH]nnc2c1 ZINC000176735895 495767253 /nfs/dbraw/zinc/76/72/53/495767253.db2.gz HCVVLJYJRJWSDA-UHFFFAOYSA-N 0 1 369.384 3.065 20 5 FGBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000186033908 495830122 /nfs/dbraw/zinc/83/01/22/495830122.db2.gz DGJZEPYZYKFQLI-GFCCVEGCSA-N 0 1 351.366 3.179 20 5 FGBDMN CCS[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000176898364 495832635 /nfs/dbraw/zinc/83/26/35/495832635.db2.gz SPHCJFULPGGPGS-QWRGUYRKSA-N 0 1 362.448 3.077 20 5 FGBDMN CCOc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000159994850 495859570 /nfs/dbraw/zinc/85/95/70/495859570.db2.gz FZEVORLNIHJRTE-KRWDZBQOSA-N 0 1 366.377 3.236 20 5 FGBDMN Cn1ccnc1[C@H](NC[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878062 505810605 /nfs/dbraw/zinc/81/06/05/505810605.db2.gz HXBFRZSRQRLBSR-RTBURBONSA-N 0 1 369.469 3.024 20 5 FGBDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160362547 495946010 /nfs/dbraw/zinc/94/60/10/495946010.db2.gz TXDOSKPHDIAKFX-GJZGRUSLSA-N 0 1 361.442 3.027 20 5 FGBDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186328539 495951151 /nfs/dbraw/zinc/95/11/51/495951151.db2.gz BHFDGYSMNWTOLL-HOTGVXAUSA-N 0 1 360.414 3.328 20 5 FGBDMN C[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180394840 495978787 /nfs/dbraw/zinc/97/87/87/495978787.db2.gz NUSAKFAJWAXCQA-HNNXBMFYSA-N 0 1 353.422 3.437 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000183453984 495990513 /nfs/dbraw/zinc/99/05/13/495990513.db2.gz UQTDFAVMLPOLOD-UHFFFAOYSA-N 0 1 368.842 3.120 20 5 FGBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](c2ccsc2)O1 ZINC000155564120 495997368 /nfs/dbraw/zinc/99/73/68/495997368.db2.gz GNISBYWWMBZCMQ-MEBBXXQBSA-N 0 1 372.406 3.135 20 5 FGBDMN CC(C)n1cnnc1[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000174548266 496003926 /nfs/dbraw/zinc/00/39/26/496003926.db2.gz KYJAFHPWRSHSTC-HNNXBMFYSA-N 0 1 359.430 3.026 20 5 FGBDMN CCOc1cccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000180679783 496102152 /nfs/dbraw/zinc/10/21/52/496102152.db2.gz MBVKPDRXNZBKPW-CQSZACIVSA-N 0 1 369.421 3.233 20 5 FGBDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177536906 496102719 /nfs/dbraw/zinc/10/27/19/496102719.db2.gz UCAXUPXPCCBMHF-DNVCBOLYSA-N 0 1 353.422 3.436 20 5 FGBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)ccc1Cl ZINC000186760237 496138375 /nfs/dbraw/zinc/13/83/75/496138375.db2.gz DBRJXDNFJNCWJH-JTQLQIEISA-N 0 1 356.209 3.414 20 5 FGBDMN COc1cc(S(=O)(=O)Nc2ccc3scnc3c2)ccc1[N+](=O)[O-] ZINC000177675948 496155573 /nfs/dbraw/zinc/15/55/73/496155573.db2.gz DULQTYRYSJDGPL-UHFFFAOYSA-N 0 1 365.392 3.014 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000156150756 496172023 /nfs/dbraw/zinc/17/20/23/496172023.db2.gz HRHFSJFBSJFIJF-ZDUSSCGKSA-N 0 1 364.427 3.089 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)ccc1[N+](=O)[O-] ZINC000172183035 496198195 /nfs/dbraw/zinc/19/81/95/496198195.db2.gz IKYMEZWGYXCDSK-UHFFFAOYSA-N 0 1 359.363 3.359 20 5 FGBDMN CCNC(=O)N1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180945195 496210951 /nfs/dbraw/zinc/21/09/51/496210951.db2.gz MJZUYTKSUIDHMO-HKUYNNGSSA-N 0 1 368.437 3.078 20 5 FGBDMN Cc1ccc([C@@H](C)NC(=O)CSc2n[nH]c(=S)s2)cc1[N+](=O)[O-] ZINC000177849393 496221981 /nfs/dbraw/zinc/22/19/81/496221981.db2.gz MXZMAEWVMRITCM-MRVPVSSYSA-N 0 1 370.481 3.387 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)Cc3ccccc3)cs2)c1 ZINC000152680916 496224123 /nfs/dbraw/zinc/22/41/23/496224123.db2.gz NXAKKNIBSCPBEV-MRXNPFEDSA-N 0 1 369.446 3.412 20 5 FGBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000152733212 496239733 /nfs/dbraw/zinc/23/97/33/496239733.db2.gz IZIHGBPZBDYXLL-OAHLLOKOSA-N 0 1 362.451 3.164 20 5 FGBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000181198498 496308434 /nfs/dbraw/zinc/30/84/34/496308434.db2.gz GSVKPMJZUKLQJF-UHFFFAOYSA-N 0 1 354.771 3.252 20 5 FGBDMN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175272535 496318118 /nfs/dbraw/zinc/31/81/18/496318118.db2.gz CFCZZXOLBQEEKJ-PBHICJAKSA-N 0 1 369.421 3.083 20 5 FGBDMN Cc1cccc(C)c1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000175343413 496347244 /nfs/dbraw/zinc/34/72/44/496347244.db2.gz UQAMFWDWAHJASP-UHFFFAOYSA-N 0 1 366.381 3.047 20 5 FGBDMN Cc1ccc([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000178286707 496400019 /nfs/dbraw/zinc/40/00/19/496400019.db2.gz ZZYSADMSWCPJJY-CQSZACIVSA-N 0 1 362.451 3.299 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COCc2cccs2)C2CC2)c1 ZINC000153333599 496423169 /nfs/dbraw/zinc/42/31/69/496423169.db2.gz WWWCXAZTGWREPW-QGZVFWFLSA-N 0 1 362.451 3.198 20 5 FGBDMN CCc1nc([C@H](C)NCCOc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184696332 496497033 /nfs/dbraw/zinc/49/70/33/496497033.db2.gz YTLISAJCUHZCGH-NSHDSACASA-N 0 1 351.428 3.352 20 5 FGBDMN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000184767735 496524442 /nfs/dbraw/zinc/52/44/42/496524442.db2.gz FIPWDNMBICBEJM-BDJLRTHQSA-N 0 1 351.366 3.089 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000178683399 496539703 /nfs/dbraw/zinc/53/97/03/496539703.db2.gz ANKXRSPFWUQFCS-KBPBESRZSA-N 0 1 370.409 3.291 20 5 FGBDMN C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000163730684 496552418 /nfs/dbraw/zinc/55/24/18/496552418.db2.gz DDAASCREOKFVPS-JXFKEZNVSA-N 0 1 355.438 3.319 20 5 FGBDMN COc1ccccc1[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000157966954 496597333 /nfs/dbraw/zinc/59/73/33/496597333.db2.gz FLUZHQHXLNQPJX-CQSZACIVSA-N 0 1 370.405 3.459 20 5 FGBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnc[nH]1 ZINC000175940552 496610025 /nfs/dbraw/zinc/61/00/25/496610025.db2.gz NWPGJDFMZOCXHA-NSHDSACASA-N 0 1 369.406 3.355 20 5 FGBDMN C[C@@H](NCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000164771766 496632306 /nfs/dbraw/zinc/63/23/06/496632306.db2.gz HYMCEXHUQDSCTL-LLVKDONJSA-N 0 1 354.453 3.019 20 5 FGBDMN C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000164893217 496638358 /nfs/dbraw/zinc/63/83/58/496638358.db2.gz MPGSLZPJEGJODY-PBHICJAKSA-N 0 1 369.421 3.083 20 5 FGBDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000173324188 496643387 /nfs/dbraw/zinc/64/33/87/496643387.db2.gz XCAZFJSOTVFLBV-XHSDSOJGSA-N 0 1 370.453 3.454 20 5 FGBDMN C[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000571977603 505860498 /nfs/dbraw/zinc/86/04/98/505860498.db2.gz SYXQUCKSDIQIAU-SCLBCKFNSA-N 0 1 359.401 3.257 20 5 FGBDMN CC(C)(C)c1ccc2c(c1)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000182251171 496720161 /nfs/dbraw/zinc/72/01/61/496720161.db2.gz MTSBCLXEJVNBDE-UHFFFAOYSA-N 0 1 355.438 3.112 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273201547 496738719 /nfs/dbraw/zinc/73/87/19/496738719.db2.gz IUKUCNBOEMCGCR-MAUKXSAKSA-N 0 1 368.437 3.140 20 5 FGBDMN CCC1(CC)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1OC ZINC000191374122 496741692 /nfs/dbraw/zinc/74/16/92/496741692.db2.gz AYCQBUWQTLJGET-HUUCEWRRSA-N 0 1 360.414 3.328 20 5 FGBDMN Cc1c([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)cccc1[N+](=O)[O-] ZINC000273281667 496761926 /nfs/dbraw/zinc/76/19/26/496761926.db2.gz QNCQWCCXUVCQIN-QAPCUYQASA-N 0 1 368.437 3.140 20 5 FGBDMN COc1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1NC(C)=O ZINC000268809239 496791984 /nfs/dbraw/zinc/79/19/84/496791984.db2.gz IOGVMIDWJMBTQV-LBPRGKRZSA-N 0 1 373.409 3.421 20 5 FGBDMN CC[C@H](C)c1nc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n[nH]1 ZINC000277497544 496792577 /nfs/dbraw/zinc/79/25/77/496792577.db2.gz UXEHZGKGIWEBOU-UWVGGRQHSA-N 0 1 358.402 3.284 20 5 FGBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269006147 496847045 /nfs/dbraw/zinc/84/70/45/496847045.db2.gz RQWKDTLRTZPUAP-NSHDSACASA-N 0 1 354.288 3.144 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269492603 496958856 /nfs/dbraw/zinc/95/88/56/496958856.db2.gz XVPPTYQPHKMWJG-JSGCOSHPSA-N 0 1 358.398 3.044 20 5 FGBDMN CCn1ncc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc21 ZINC000195730734 496964087 /nfs/dbraw/zinc/96/40/87/496964087.db2.gz 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Cc1n[nH]c([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000271246853 497302733 /nfs/dbraw/zinc/30/27/33/497302733.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 0 1 367.356 3.002 20 5 FGBDMN Cc1nnc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246853 497302738 /nfs/dbraw/zinc/30/27/38/497302738.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 0 1 367.356 3.002 20 5 FGBDMN COc1cc(CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000266565926 497371894 /nfs/dbraw/zinc/37/18/94/497371894.db2.gz OBQCVPODWLHAGM-UHFFFAOYSA-N 0 1 372.368 3.207 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCCC[C@@H]1O ZINC000245528161 497441147 /nfs/dbraw/zinc/44/11/47/497441147.db2.gz BHTVOPOJEGZVMT-XPKDYRNWSA-N 0 1 360.414 3.189 20 5 FGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000276332885 497546927 /nfs/dbraw/zinc/54/69/27/497546927.db2.gz RGWJOZADDVXCOK-HNNXBMFYSA-N 0 1 373.432 3.431 20 5 FGBDMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194059955 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/nfs/dbraw/zinc/81/65/56/497816556.db2.gz KTVHVAAUZVLLKA-WTANOLMUSA-N 0 1 372.425 3.333 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246862540 497817395 /nfs/dbraw/zinc/81/73/95/497817395.db2.gz UIWMEBPAXHGMJU-XPKDYRNWSA-N 0 1 358.398 3.207 20 5 FGBDMN COCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000364343031 497910142 /nfs/dbraw/zinc/91/01/42/497910142.db2.gz WOIOWTTWYRQHFC-RBUKOAKNSA-N 0 1 371.437 3.049 20 5 FGBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000364434430 497955568 /nfs/dbraw/zinc/95/55/68/497955568.db2.gz MUZPROBZDBVALH-GOSISDBHSA-N 0 1 357.797 3.344 20 5 FGBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292333296 497974388 /nfs/dbraw/zinc/97/43/88/497974388.db2.gz XEJFFOPZRPLNJI-LLVKDONJSA-N 0 1 355.181 3.432 20 5 FGBDMN CCO[C@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000296454010 498050099 /nfs/dbraw/zinc/05/00/99/498050099.db2.gz XDAOEVWBDCJGEF-CABCVRRESA-N 0 1 358.398 3.082 20 5 FGBDMN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301353372 498070482 /nfs/dbraw/zinc/07/04/82/498070482.db2.gz NMWDDLFAZJOGPF-RYUDHWBXSA-N 0 1 372.263 3.269 20 5 FGBDMN CCOc1ccc([C@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000285559837 498129629 /nfs/dbraw/zinc/12/96/29/498129629.db2.gz FTOPMDHEMWBVDV-ZDUSSCGKSA-N 0 1 370.471 3.002 20 5 FGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000296687112 498153485 /nfs/dbraw/zinc/15/34/85/498153485.db2.gz JFVSCAGONSXDRK-PMUMKWKESA-N 0 1 369.421 3.274 20 5 FGBDMN COCCCOc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000285670956 498166806 /nfs/dbraw/zinc/16/68/06/498166806.db2.gz UGCDHSHDJJDABK-UHFFFAOYSA-N 0 1 360.410 3.309 20 5 FGBDMN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(Cl)c1 ZINC000301862305 498300129 /nfs/dbraw/zinc/30/01/29/498300129.db2.gz FNVFGTFQXSJYKC-HZPDHXFCSA-N 0 1 361.829 3.296 20 5 FGBDMN COc1cccc([C@@H]2[C@H](Nc3ncccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000302024157 498373674 /nfs/dbraw/zinc/37/36/74/498373674.db2.gz GAOFQCVUTHJQPS-SJLPKXTDSA-N 0 1 354.410 3.388 20 5 FGBDMN CCc1ccc(C[NH+]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)s1 ZINC000569817348 506023804 /nfs/dbraw/zinc/02/38/04/506023804.db2.gz VFDXMPNSLHLXTD-UHFFFAOYSA-N 0 1 361.467 3.242 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000286428494 498394478 /nfs/dbraw/zinc/39/44/78/498394478.db2.gz XCXWACQXJFKEHQ-OQPBUACISA-N 0 1 361.229 3.097 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1[N+](=O)[O-] ZINC000331642021 498405157 /nfs/dbraw/zinc/40/51/57/498405157.db2.gz UCLIDZOULVYSCX-AWEZNQCLSA-N 0 1 372.425 3.434 20 5 FGBDMN C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000286718468 498486356 /nfs/dbraw/zinc/48/63/56/498486356.db2.gz KIGDVROWUMEUKJ-HNNXBMFYSA-N 0 1 374.441 3.412 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000365602339 498552828 /nfs/dbraw/zinc/55/28/28/498552828.db2.gz NLUSWJUPKQAGDR-UHFFFAOYSA-N 0 1 354.410 3.149 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000282704145 498618411 /nfs/dbraw/zinc/61/84/11/498618411.db2.gz BBXUPIYQHGKNAO-MNOVXSKESA-N 0 1 361.402 3.116 20 5 FGBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@@H]1c1ccccc1 ZINC000363163007 498681444 /nfs/dbraw/zinc/68/14/44/498681444.db2.gz RCKSWSFBFJOBFD-RDJZCZTQSA-N 0 1 361.348 3.048 20 5 FGBDMN C[C@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326715854 498846136 /nfs/dbraw/zinc/84/61/36/498846136.db2.gz BNNDYQCLVYRQSB-GFCCVEGCSA-N 0 1 352.387 3.034 20 5 FGBDMN C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000363815537 499008435 /nfs/dbraw/zinc/00/84/35/499008435.db2.gz HTXRUOLRUCQIDS-HZMBPMFUSA-N 0 1 372.347 3.172 20 5 FGBDMN CC(C)c1ccc(CN2CCC3(CC2)SCC(=O)N3C)cc1[N+](=O)[O-] ZINC000363868029 499031988 /nfs/dbraw/zinc/03/19/88/499031988.db2.gz MLTPSWAPWFJHDK-UHFFFAOYSA-N 0 1 363.483 3.216 20 5 FGBDMN Cc1c(CC(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000291749171 499055806 /nfs/dbraw/zinc/05/58/06/499055806.db2.gz CURXHTWLBSSQSF-INIZCTEOSA-N 0 1 371.441 3.441 20 5 FGBDMN O=C(NC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000367440765 499199276 /nfs/dbraw/zinc/19/92/76/499199276.db2.gz KQYGTBBSVRTLNO-HWKANZROSA-N 0 1 355.394 3.095 20 5 FGBDMN Cc1c(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000370247364 499201748 /nfs/dbraw/zinc/20/17/48/499201748.db2.gz NTECJKOPJDPTJX-UHFFFAOYSA-N 0 1 366.381 3.053 20 5 FGBDMN CC(C)n1cc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000370889858 499267538 /nfs/dbraw/zinc/26/75/38/499267538.db2.gz AKUJBONWJVNLNM-UHFFFAOYSA-N 0 1 357.458 3.080 20 5 FGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2nnc3n2CCC3)CC1 ZINC000371361766 499315331 /nfs/dbraw/zinc/31/53/31/499315331.db2.gz UGGMYMPZWIPNIZ-ZZXKWVIFSA-N 0 1 353.426 3.025 20 5 FGBDMN COc1cc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)ccc1[N+](=O)[O-] ZINC000368819976 499336174 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351.403 3.497 20 5 FGBDMN CCO/C=C\[C@](O)(CNC/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000895706095 742442750 /nfs/dbraw/zinc/44/27/50/742442750.db2.gz FLQJCINRSNEFSS-GJIHDBRLSA-N 0 1 360.332 3.041 20 5 FGBDMN COc1c(O)ccc(CN2CC[C@@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC000897301524 742666270 /nfs/dbraw/zinc/66/62/70/742666270.db2.gz LQROLEYKDUEXJI-LBPRGKRZSA-N 0 1 363.439 3.139 20 5 FGBDMN COc1cc(CN2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000898071719 742741714 /nfs/dbraw/zinc/74/17/14/742741714.db2.gz QKQIMMPAIIPEKV-LBPRGKRZSA-N 0 1 363.439 3.133 20 5 FGBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000901864085 743661890 /nfs/dbraw/zinc/66/18/90/743661890.db2.gz DCIROTISPULKEM-GOSISDBHSA-N 0 1 350.415 3.031 20 5 FGBDMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901892311 743668708 /nfs/dbraw/zinc/66/87/08/743668708.db2.gz RRDRSTAMFJFAFG-ZDUSSCGKSA-N 0 1 362.407 3.104 20 5 FGBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901980521 743691182 /nfs/dbraw/zinc/69/11/82/743691182.db2.gz NAIFGQMCIHRQDH-UHFFFAOYSA-N 0 1 351.222 3.104 20 5 FGBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)CCC2 ZINC000903193045 743820697 /nfs/dbraw/zinc/82/06/97/743820697.db2.gz PELYFYCTJHCPKV-NSHDSACASA-N 0 1 360.439 3.047 20 5 FGBDMN O=C(c1ccccc1Cl)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000934421071 761628353 /nfs/dbraw/zinc/62/83/53/761628353.db2.gz AENVJYSIFHMABZ-UHFFFAOYSA-N 0 1 362.817 3.040 20 5 FGBDMN COc1cc(F)c([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000183482942 257366894 /nfs/dbraw/zinc/36/68/94/257366894.db2.gz LLAIEANWWNJGFD-ZBEGNZNMSA-N 0 1 364.373 3.135 20 5 FGBDMN Cc1cc(N2CC[C@@H](Cc3cnn(C)c3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302132681 257384602 /nfs/dbraw/zinc/38/46/02/257384602.db2.gz CHDAMSJRMMQUEA-AWEZNQCLSA-N 0 1 351.410 3.254 20 5 FGBDMN COC[C@@H]1CCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000568006031 505594673 /nfs/dbraw/zinc/59/46/73/505594673.db2.gz NPRNNYKDKPEKDA-SFHVURJKSA-N 0 1 372.421 3.403 20 5 FGBDMN O=c1cc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc2ccccn12 ZINC000568046891 505603807 /nfs/dbraw/zinc/60/38/07/505603807.db2.gz AJEIFTALRPNREI-SFHVURJKSA-N 0 1 364.405 3.160 20 5 FGBDMN CCOc1cc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000568074729 505610720 /nfs/dbraw/zinc/61/07/20/505610720.db2.gz OKMFVMBUPSWWHZ-UHFFFAOYSA-N 0 1 374.393 3.089 20 5 FGBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000611117498 507521832 /nfs/dbraw/zinc/52/18/32/507521832.db2.gz HSKZXUFXUGTEGO-ZETCQYMHSA-N 0 1 353.227 3.369 20 5 FGBDMN COc1ccc(CNc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000568344719 505671361 /nfs/dbraw/zinc/67/13/61/505671361.db2.gz RJMPTASJURLPBM-UHFFFAOYSA-N 0 1 352.188 3.103 20 5 FGBDMN CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)Cc1ccccc1 ZINC000574006402 505671612 /nfs/dbraw/zinc/67/16/12/505671612.db2.gz OLZQSLSGELIAQL-HXUWFJFHSA-N 0 1 367.449 3.390 20 5 FGBDMN Cc1ccc(CSCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028064210 493775238 /nfs/dbraw/zinc/77/52/38/493775238.db2.gz IDDSJTLTDKZXMJ-UHFFFAOYSA-N 0 1 370.434 3.443 20 5 FGBDMN Cc1c(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000048045999 493776231 /nfs/dbraw/zinc/77/62/31/493776231.db2.gz IHJBSGUKBNXCCY-OAHLLOKOSA-N 0 1 359.470 3.374 20 5 FGBDMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000028335682 493785746 /nfs/dbraw/zinc/78/57/46/493785746.db2.gz ZSUQDWYYLFYMEN-OLZOCXBDSA-N 0 1 370.409 3.231 20 5 FGBDMN CCCc1[nH]nc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000068307007 493793944 /nfs/dbraw/zinc/79/39/44/493793944.db2.gz BXPMOQMEJSMROL-UHFFFAOYSA-N 0 1 366.805 3.075 20 5 FGBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Sc1ccccc1 ZINC000081111937 493835266 /nfs/dbraw/zinc/83/52/66/493835266.db2.gz ZNXAJWHOLGGPSI-LLVKDONJSA-N 0 1 356.407 3.382 20 5 FGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCOc1ccccc1 ZINC000029852235 493862331 /nfs/dbraw/zinc/86/23/31/493862331.db2.gz CLRPXOGOFIXKON-OAHLLOKOSA-N 0 1 357.410 3.323 20 5 FGBDMN CCCOc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530067 493895069 /nfs/dbraw/zinc/89/50/69/493895069.db2.gz SKBLOLORINCLMT-UHFFFAOYSA-N 0 1 350.396 3.493 20 5 FGBDMN CCn1cc(NC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000068959576 493900619 /nfs/dbraw/zinc/90/06/19/493900619.db2.gz GDYIQEQSOVPTFC-CQSZACIVSA-N 0 1 371.441 3.223 20 5 FGBDMN Cc1sc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000032078928 493973157 /nfs/dbraw/zinc/97/31/57/493973157.db2.gz BOSGLTCGQOIHFU-UHFFFAOYSA-N 0 1 374.466 3.277 20 5 FGBDMN Cc1c(CN(C)Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000051500872 493973542 /nfs/dbraw/zinc/97/35/42/493973542.db2.gz FFPFEMJAJDEIKY-UHFFFAOYSA-N 0 1 355.438 3.372 20 5 FGBDMN CCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000007052822 493996694 /nfs/dbraw/zinc/99/66/94/493996694.db2.gz DKEMJSARDREGAN-UHFFFAOYSA-N 0 1 366.395 3.193 20 5 FGBDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052829566 494065471 /nfs/dbraw/zinc/06/54/71/494065471.db2.gz LKYOXDDCUMTSLB-CQSZACIVSA-N 0 1 374.828 3.494 20 5 FGBDMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000012255204 494218062 /nfs/dbraw/zinc/21/80/62/494218062.db2.gz CTQJGVVHVBZRFI-UHFFFAOYSA-N 0 1 369.834 3.395 20 5 FGBDMN Cc1c(NC(=O)CCN2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716730 494238489 /nfs/dbraw/zinc/23/84/89/494238489.db2.gz CWNQDWDRMQZYFU-UHFFFAOYSA-N 0 1 361.442 3.267 20 5 FGBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073437556 494370686 /nfs/dbraw/zinc/37/06/86/494370686.db2.gz SIUALMOWVMBFIM-SFHVURJKSA-N 0 1 361.361 3.319 20 5 FGBDMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056197124 494469217 /nfs/dbraw/zinc/46/92/17/494469217.db2.gz XYKKMJQJQBPIBA-STQMWFEESA-N 0 1 373.409 3.290 20 5 FGBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000056196515 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ZINC000451105607 501246217 /nfs/dbraw/zinc/24/62/17/501246217.db2.gz SYCRBNVXXGMDKH-AWEZNQCLSA-N 0 1 370.409 3.211 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCC[N@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280518 501306665 /nfs/dbraw/zinc/30/66/65/501306665.db2.gz BXXNYXOJOYPMHN-CTNGQTDRSA-N 0 1 369.465 3.121 20 5 FGBDMN Nc1nc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc12 ZINC000451549624 501321130 /nfs/dbraw/zinc/32/11/30/501321130.db2.gz PRPDMMIEIKRNDC-OAHLLOKOSA-N 0 1 363.421 3.330 20 5 FGBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000456351260 501506796 /nfs/dbraw/zinc/50/67/96/501506796.db2.gz WPERWOBPFAPNAQ-OAHLLOKOSA-N 0 1 371.412 3.328 20 5 FGBDMN COc1cc(CN[C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1OC ZINC000598988079 506263365 /nfs/dbraw/zinc/26/33/65/506263365.db2.gz WBPLKNYYHKXLBK-CQSZACIVSA-N 0 1 358.394 3.014 20 5 FGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459267928 501622153 /nfs/dbraw/zinc/62/21/53/501622153.db2.gz 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Cc1nc(-c2ccc([C@@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)cs1 ZINC000481618887 501834088 /nfs/dbraw/zinc/83/40/88/501834088.db2.gz ACZOSNPHNANNIV-SECBINFHSA-N 0 1 357.395 3.241 20 5 FGBDMN CC(C)Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467773583 501867363 /nfs/dbraw/zinc/86/73/63/501867363.db2.gz RBNVZRGESOQCOV-UHFFFAOYSA-N 0 1 350.396 3.300 20 5 FGBDMN CCOc1cc(N2CCN(CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000481764449 501877257 /nfs/dbraw/zinc/87/72/57/501877257.db2.gz GZCGXQWFLYPNHM-UHFFFAOYSA-N 0 1 371.437 3.195 20 5 FGBDMN CSc1ccccc1CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470999221 501888706 /nfs/dbraw/zinc/88/87/06/501888706.db2.gz SZDXNEKLMABSAG-MRXNPFEDSA-N 0 1 362.451 3.188 20 5 FGBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C2CCCCC2)CC1 ZINC000482080369 501968513 /nfs/dbraw/zinc/96/85/13/501968513.db2.gz VQULYAADWKIOPV-UHFFFAOYSA-N 0 1 357.410 3.432 20 5 FGBDMN Cc1cc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596158301 506286950 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FGBDMN CN(Cc1ccccc1)C1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000483761255 502485816 /nfs/dbraw/zinc/48/58/16/502485816.db2.gz SYZPVSRDRWQPON-UHFFFAOYSA-N 0 1 358.373 3.082 20 5 FGBDMN C[C@@H]1C[C@H](N2CCCC2)CN1c1c(Br)cccc1[N+](=O)[O-] ZINC000596230434 506322408 /nfs/dbraw/zinc/32/24/08/506322408.db2.gz AXKXSJHCSMWHDH-NEPJUHHUSA-N 0 1 354.248 3.420 20 5 FGBDMN Cc1ncn(-c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)c1C ZINC000462778425 502568141 /nfs/dbraw/zinc/56/81/41/502568141.db2.gz OMAOGOYDOYKIPU-UHFFFAOYSA-N 0 1 352.350 3.355 20 5 FGBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000473339334 502568809 /nfs/dbraw/zinc/56/88/09/502568809.db2.gz IQUOLFAWFZKRBJ-UHFFFAOYSA-N 0 1 370.296 3.105 20 5 FGBDMN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN(Cc2ccccn2)CC1 ZINC000488075961 502618688 /nfs/dbraw/zinc/61/86/88/502618688.db2.gz LNJWFPQXIRLYQU-UHFFFAOYSA-N 0 1 363.421 3.036 20 5 FGBDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592992894 506325224 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/nfs/dbraw/zinc/68/88/75/495688875.db2.gz CXTBRONIFPQCSF-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000179788431 495733576 /nfs/dbraw/zinc/73/35/76/495733576.db2.gz PQRSRFAQETVFBP-KSSFIOAISA-N 0 1 366.364 3.354 20 5 FGBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000176744675 495770688 /nfs/dbraw/zinc/77/06/88/495770688.db2.gz PMMFKTDALAKLGG-HKUYNNGSSA-N 0 1 356.378 3.081 20 5 FGBDMN Cc1cnc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)s1 ZINC000174037138 495798445 /nfs/dbraw/zinc/79/84/45/495798445.db2.gz LFMATVHKHHFEQU-ZDUSSCGKSA-N 0 1 357.395 3.117 20 5 FGBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000155107637 495838457 /nfs/dbraw/zinc/83/84/57/495838457.db2.gz HISGWHAWZSIOSJ-LLVKDONJSA-N 0 1 365.336 3.486 20 5 FGBDMN CCOc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000176995006 495875416 /nfs/dbraw/zinc/87/54/16/495875416.db2.gz RCIUPGIBWTXIDI-UHFFFAOYSA-N 0 1 361.442 3.084 20 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0 1 372.421 3.234 20 5 FGBDMN CC(C)CN1Cc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2C1 ZINC000181235232 496322435 /nfs/dbraw/zinc/32/24/35/496322435.db2.gz YSQHALZTPQUJFO-UHFFFAOYSA-N 0 1 354.410 3.401 20 5 FGBDMN CCOc1ccc([C@H](C)NCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181399998 496379761 /nfs/dbraw/zinc/37/97/61/496379761.db2.gz AFPWOKNIXQRUHD-HNNXBMFYSA-N 0 1 371.437 3.003 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000162620849 496383571 /nfs/dbraw/zinc/38/35/71/496383571.db2.gz DIHAWQKXJNNELC-QGZVFWFLSA-N 0 1 360.389 3.467 20 5 FGBDMN CC(C)OC(=O)C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000184470762 496398257 /nfs/dbraw/zinc/39/82/57/496398257.db2.gz SHZHAFTVZOCCJL-HNNXBMFYSA-N 0 1 350.415 3.027 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000162737579 496404349 /nfs/dbraw/zinc/40/43/49/496404349.db2.gz UOUFCBQDXGCHNB-MRXNPFEDSA-N 0 1 358.398 3.455 20 5 FGBDMN Cc1nc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n[nH]1 ZINC000162888551 496429640 /nfs/dbraw/zinc/42/96/40/496429640.db2.gz QSOWZHSORSSEIE-MRXNPFEDSA-N 0 1 366.381 3.241 20 5 FGBDMN O=C(NCc1ccccc1Sc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000153508106 496479125 /nfs/dbraw/zinc/47/91/25/496479125.db2.gz ODTIPVROGXXHJO-UHFFFAOYSA-N 0 1 354.391 3.399 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@]4(CCOC4)C3)s2)cc1 ZINC000187535301 496482054 /nfs/dbraw/zinc/48/20/54/496482054.db2.gz FZZGKGWZKYDUAR-SFHVURJKSA-N 0 1 360.435 3.315 20 5 FGBDMN CSCc1cc(F)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153620997 496520019 /nfs/dbraw/zinc/52/00/19/496520019.db2.gz DZJYHQXMIGVWTD-UHFFFAOYSA-N 0 1 374.397 3.403 20 5 FGBDMN COc1cccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178687165 496540195 /nfs/dbraw/zinc/54/01/95/496540195.db2.gz JWLMKFWFOKGJSW-LSDHHAIUSA-N 0 1 371.437 3.267 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCc2cccs2)cc1[N+](=O)[O-] ZINC000178692357 496541906 /nfs/dbraw/zinc/54/19/06/496541906.db2.gz SAHRMWCEWYHYKQ-KGLIPLIRSA-N 0 1 361.467 3.363 20 5 FGBDMN CC(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000181789764 496545540 /nfs/dbraw/zinc/54/55/40/496545540.db2.gz YFBRCLJSRSDLIC-UHFFFAOYSA-N 0 1 360.336 3.172 20 5 FGBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000178868672 496600622 /nfs/dbraw/zinc/60/06/22/496600622.db2.gz NSRJYAABGKSBBE-LJQANCHMSA-N 0 1 359.401 3.344 20 5 FGBDMN CCc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182175979 496697992 /nfs/dbraw/zinc/69/79/92/496697992.db2.gz LGHUHJKODYCOSY-AWEZNQCLSA-N 0 1 362.451 3.282 20 5 FGBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000182192886 496702442 /nfs/dbraw/zinc/70/24/42/496702442.db2.gz GHWGQPMXEBCFOJ-SFHVURJKSA-N 0 1 372.396 3.263 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000277411624 496764692 /nfs/dbraw/zinc/76/46/92/496764692.db2.gz LSJKXSAWAXGHRV-NXEZZACHSA-N 0 1 362.390 3.118 20 5 FGBDMN CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000195115696 496824264 /nfs/dbraw/zinc/82/42/64/496824264.db2.gz AYVHGQCIFHXWLO-LBPRGKRZSA-N 0 1 373.409 3.449 20 5 FGBDMN Cc1cc(C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000273631687 496857781 /nfs/dbraw/zinc/85/77/81/496857781.db2.gz QOIRDADWUNTSAN-UHFFFAOYSA-N 0 1 356.426 3.310 20 5 FGBDMN CN(c1ccccc1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269262987 496907442 /nfs/dbraw/zinc/90/74/42/496907442.db2.gz BWPIRYMCBUSYMF-UHFFFAOYSA-N 0 1 355.394 3.041 20 5 FGBDMN Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C(=O)N1CCCC1 ZINC000269269712 496909039 /nfs/dbraw/zinc/90/90/39/496909039.db2.gz FRHFYODZMADLFD-UHFFFAOYSA-N 0 1 369.377 3.097 20 5 FGBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000269269693 496909377 /nfs/dbraw/zinc/90/93/77/496909377.db2.gz FPCXLBLGWVVDBK-INIZCTEOSA-N 0 1 372.377 3.419 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000277886021 496921484 /nfs/dbraw/zinc/92/14/84/496921484.db2.gz PLUIDHIMRMYDPZ-NXEZZACHSA-N 0 1 356.386 3.199 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000189081423 497001493 /nfs/dbraw/zinc/00/14/93/497001493.db2.gz FBPYVVFCFCRNOA-DNVCBOLYSA-N 0 1 353.422 3.355 20 5 FGBDMN CN1C(=O)C[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000192151771 497014247 /nfs/dbraw/zinc/01/42/47/497014247.db2.gz NMKWFGCZOGBIHD-YJBOKZPZSA-N 0 1 359.813 3.310 20 5 FGBDMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192347908 497082230 /nfs/dbraw/zinc/08/22/30/497082230.db2.gz VRKLEOOQLSNHPC-IUODEOHRSA-N 0 1 355.394 3.295 20 5 FGBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000278450134 497118723 /nfs/dbraw/zinc/11/87/23/497118723.db2.gz AKGLIKHGLBSMDD-UHFFFAOYSA-N 0 1 371.393 3.342 20 5 FGBDMN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C(F)(F)F ZINC000189545875 497157860 /nfs/dbraw/zinc/15/78/60/497157860.db2.gz FHFOMGPFHHJWGY-CQSZACIVSA-N 0 1 373.331 3.037 20 5 FGBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249091488 497164396 /nfs/dbraw/zinc/16/43/96/497164396.db2.gz STLKNDJAUFTCBK-VHSSKADRSA-N 0 1 355.394 3.042 20 5 FGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3n2CCCC3)CC1 ZINC000275045968 497226874 /nfs/dbraw/zinc/22/68/74/497226874.db2.gz YYQJEYCNWQLSMC-AWEZNQCLSA-N 0 1 355.442 3.463 20 5 FGBDMN COc1ccc([C@@H]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249871072 497254133 /nfs/dbraw/zinc/25/41/33/497254133.db2.gz JVGNSBYXZZHAEP-GOEBONIOSA-N 0 1 369.421 3.420 20 5 FGBDMN O=C1C[C@H](c2ccccc2)N(C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255691928 497373850 /nfs/dbraw/zinc/37/38/50/497373850.db2.gz FKTYAEUHLMNHNM-FUKWUPMWSA-N 0 1 351.406 3.171 20 5 FGBDMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271654590 497410743 /nfs/dbraw/zinc/41/07/43/497410743.db2.gz WAEAZUZGIQHNFA-LRDDRELGSA-N 0 1 362.455 3.319 20 5 FGBDMN Cc1ccc(CNCc2ccccc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000190306115 497431141 /nfs/dbraw/zinc/43/11/41/497431141.db2.gz QZHJKDDPKVBIJY-UHFFFAOYSA-N 0 1 357.801 3.427 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCCC[C@H]1O ZINC000245528157 497441341 /nfs/dbraw/zinc/44/13/41/497441341.db2.gz BHTVOPOJEGZVMT-XNRPHZJLSA-N 0 1 360.414 3.189 20 5 FGBDMN Cc1sc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261927241 497477436 /nfs/dbraw/zinc/47/74/36/497477436.db2.gz ZKSRZYBREVKLFF-CQSZACIVSA-N 0 1 365.842 3.405 20 5 FGBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272494501 497643632 /nfs/dbraw/zinc/64/36/32/497643632.db2.gz HRHXZHRWYMZBOP-HUUCEWRRSA-N 0 1 361.442 3.027 20 5 FGBDMN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272529267 497652716 /nfs/dbraw/zinc/65/27/16/497652716.db2.gz IFVKATQXRQMALS-RDTXWAMCSA-N 0 1 356.378 3.198 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 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FGBDMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162696253 496398653 /nfs/dbraw/zinc/39/86/53/496398653.db2.gz WICJTVFFIVEPJO-GFCCVEGCSA-N 0 1 366.805 3.497 20 5 FGBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccnc12 ZINC000178315422 496409795 /nfs/dbraw/zinc/40/97/95/496409795.db2.gz ZDFLGELMYMGSCY-UHFFFAOYSA-N 0 1 373.390 3.261 20 5 FGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000187393302 496422791 /nfs/dbraw/zinc/42/27/91/496422791.db2.gz CVODCXRXCBNMFY-UHFFFAOYSA-N 0 1 365.342 3.025 20 5 FGBDMN CC[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181527259 496433943 /nfs/dbraw/zinc/43/39/43/496433943.db2.gz VVEJQEFLVMODIN-QZTJIDSGSA-N 0 1 369.421 3.276 20 5 FGBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)N1 ZINC000153444894 496458717 /nfs/dbraw/zinc/45/87/17/496458717.db2.gz FJLXVNSEMNLRDV-KBPBESRZSA-N 0 1 355.394 3.210 20 5 FGBDMN COc1cccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178687143 496540433 /nfs/dbraw/zinc/54/04/33/496540433.db2.gz JWLMKFWFOKGJSW-HUUCEWRRSA-N 0 1 371.437 3.267 20 5 FGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178686828 496541102 /nfs/dbraw/zinc/54/11/02/496541102.db2.gz AUUZOGXRZXGYKZ-UONOGXRCSA-N 0 1 359.401 3.398 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000178690171 496542321 /nfs/dbraw/zinc/54/23/21/496542321.db2.gz BSACHFUINQQCQU-ZIAGYGMSSA-N 0 1 359.401 3.398 20 5 FGBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1F ZINC000184846934 496555058 /nfs/dbraw/zinc/55/50/58/496555058.db2.gz BAIKVBDSOAEGGP-UHFFFAOYSA-N 0 1 361.354 3.391 20 5 FGBDMN CCc1ccc([C@H](COC)NCCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184854322 496558283 /nfs/dbraw/zinc/55/82/83/496558283.db2.gz PKEXIGKABOZCEC-HNNXBMFYSA-N 0 1 361.398 3.056 20 5 FGBDMN CN(CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000175941365 496610891 /nfs/dbraw/zinc/61/08/91/496610891.db2.gz HXBVFNDHAXHVBL-UHFFFAOYSA-N 0 1 374.416 3.007 20 5 FGBDMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173367851 496660951 /nfs/dbraw/zinc/66/09/51/496660951.db2.gz NKVIPMNGJHZJIN-JXFKEZNVSA-N 0 1 367.449 3.479 20 5 FGBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182099878 496669513 /nfs/dbraw/zinc/66/95/13/496669513.db2.gz ZSEPPUYBJZEZOK-GFCCVEGCSA-N 0 1 357.395 3.295 20 5 FGBDMN CC[C@@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000182193431 496702316 /nfs/dbraw/zinc/70/23/16/496702316.db2.gz KRQAMBMAZIXPOB-SUMWQHHRSA-N 0 1 365.455 3.014 20 5 FGBDMN CC[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273319752 496774087 /nfs/dbraw/zinc/77/40/87/496774087.db2.gz YXLUMXMAPDVGLG-RTBURBONSA-N 0 1 368.437 3.222 20 5 FGBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC[C@H]2c2ccccc2)c1 ZINC000247339131 496839132 /nfs/dbraw/zinc/83/91/32/496839132.db2.gz ZBCZQNLPZFBGCM-MJGOQNOKSA-N 0 1 374.462 3.125 20 5 FGBDMN 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FGBDMN Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c[nH]c12 ZINC000188421115 496784951 /nfs/dbraw/zinc/78/49/51/496784951.db2.gz YLHDACPARHJFDP-UHFFFAOYSA-N 0 1 351.362 3.429 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000269342277 496924539 /nfs/dbraw/zinc/92/45/39/496924539.db2.gz HWLUCINPWKVHNG-JSGCOSHPSA-N 0 1 358.398 3.044 20 5 FGBDMN C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189038460 496986642 /nfs/dbraw/zinc/98/66/42/496986642.db2.gz MREVJXRILKVDKJ-ACJLOTCBSA-N 0 1 357.385 3.186 20 5 FGBDMN O=C1[C@@H](N[C@@H]2CCCc3c(O)cccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192368806 497091481 /nfs/dbraw/zinc/09/14/81/497091481.db2.gz KQFXPVCFSOQOPD-MSOLQXFVSA-N 0 1 367.405 3.073 20 5 FGBDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000270751879 497194729 /nfs/dbraw/zinc/19/47/29/497194729.db2.gz MYUYKXSSIKJLHK-WDEREUQCSA-N 0 1 363.443 3.194 20 5 FGBDMN CCOc1ccc([C@@H](C)NCc2ccc(NC(C)=O)nc2)cc1[N+](=O)[O-] ZINC000278962407 497283337 /nfs/dbraw/zinc/28/33/37/497283337.db2.gz BIUGPFTXSKNHST-GFCCVEGCSA-N 0 1 358.398 3.198 20 5 FGBDMN CCOC(=O)c1csc(CCNCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000190341529 497443428 /nfs/dbraw/zinc/44/34/28/497443428.db2.gz LTOUIPXLGZOGNA-UHFFFAOYSA-N 0 1 369.830 3.214 20 5 FGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCCC[C@@H]1O ZINC000245554264 497454670 /nfs/dbraw/zinc/45/46/70/497454670.db2.gz SAPYMUCOXJBBTP-HSMVNMDESA-N 0 1 369.849 3.058 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261824929 497457573 /nfs/dbraw/zinc/45/75/73/497457573.db2.gz PRZWWZFBCPBXDH-KRWDZBQOSA-N 0 1 359.813 3.343 20 5 FGBDMN COc1cc(CNCCc2nc3c(cccc3C)o2)c([N+](=O)[O-])cc1OC ZINC000271822958 497461205 /nfs/dbraw/zinc/46/12/05/497461205.db2.gz NDMDNHRBNLGGON-UHFFFAOYSA-N 0 1 371.393 3.394 20 5 FGBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267345250 497529978 /nfs/dbraw/zinc/52/99/78/497529978.db2.gz KQESZELWCAZEIJ-UHFFFAOYSA-N 0 1 374.828 3.038 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000272686234 497701595 /nfs/dbraw/zinc/70/15/95/497701595.db2.gz PCXHMLOHUQNFKP-CRAIPNDOSA-N 0 1 374.368 3.168 20 5 FGBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263372914 497770809 /nfs/dbraw/zinc/77/08/09/497770809.db2.gz VYJCMVSCVMKHNP-AAEUAGOBSA-N 0 1 361.423 3.403 20 5 FGBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000364434396 497955848 /nfs/dbraw/zinc/95/58/48/497955848.db2.gz MQDCFFNVAABCRJ-GOSISDBHSA-N 0 1 357.797 3.344 20 5 FGBDMN C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289132251 498029073 /nfs/dbraw/zinc/02/90/73/498029073.db2.gz XWQFMCJLWZEBHH-BETUJISGSA-N 0 1 359.348 3.247 20 5 FGBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n1)OC2 ZINC000350352277 498086537 /nfs/dbraw/zinc/08/65/37/498086537.db2.gz KPFSNWIMHLZSBI-YJBOKZPZSA-N 0 1 370.365 3.317 20 5 FGBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](CN3CCOCC3)C2)cc1C(F)(F)F ZINC000301435500 498109308 /nfs/dbraw/zinc/10/93/08/498109308.db2.gz JKDDTFOVEVNSLS-CYBMUJFWSA-N 0 1 373.375 3.162 20 5 FGBDMN Cc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000292779284 498144348 /nfs/dbraw/zinc/14/43/48/498144348.db2.gz LDBFBTGSORJPFX-SOFGYWHQSA-N 0 1 353.426 3.096 20 5 FGBDMN CC[C@@](C)(NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)(F)F ZINC000581463533 505993786 /nfs/dbraw/zinc/99/37/86/505993786.db2.gz TZDHEYYPOLPHBU-GFCCVEGCSA-N 0 1 354.350 3.221 20 5 FGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000296846344 498220806 /nfs/dbraw/zinc/22/08/06/498220806.db2.gz XPWZGAQBWUDIOY-STQMWFEESA-N 0 1 371.393 3.044 20 5 FGBDMN Cc1ccccc1[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000331511281 498355856 /nfs/dbraw/zinc/35/58/56/498355856.db2.gz CXQWPXFXWBTVGO-DZGCQCFKSA-N 0 1 372.425 3.352 20 5 FGBDMN Cc1cc(N2CCN(C3=NC[C@@H](C)S3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302137400 498414236 /nfs/dbraw/zinc/41/42/36/498414236.db2.gz DLTAOKLWMBERCK-CYBMUJFWSA-N 0 1 371.466 3.065 20 5 FGBDMN Cc1cc(NCC(=O)NCCc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302136842 498414269 /nfs/dbraw/zinc/41/42/69/498414269.db2.gz DIZYUTYVARYVEJ-UHFFFAOYSA-N 0 1 364.405 3.222 20 5 FGBDMN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)cn2)n1 ZINC000293679409 498451443 /nfs/dbraw/zinc/45/14/43/498451443.db2.gz KFSJJDYFOOXLMK-CQSZACIVSA-N 0 1 366.425 3.225 20 5 FGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](CN2CCOCC2)C1 ZINC000302718327 498544202 /nfs/dbraw/zinc/54/42/02/498544202.db2.gz ZBEMFTHVDFOEFV-CQSZACIVSA-N 0 1 353.850 3.105 20 5 FGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc4cc(F)ccc43)C2)nc1 ZINC000302775063 498567448 /nfs/dbraw/zinc/56/74/48/498567448.db2.gz FBTZNGSVSZGFGD-ZDUSSCGKSA-N 0 1 353.357 3.368 20 5 FGBDMN CC(=O)N(c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]1C ZINC000294143699 498602091 /nfs/dbraw/zinc/60/20/91/498602091.db2.gz LWVPZWKHGHMWDO-ZMZPIMSZSA-N 0 1 369.377 3.314 20 5 FGBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@@H]1c1ccccc1 ZINC000363163008 498681077 /nfs/dbraw/zinc/68/10/77/498681077.db2.gz RCKSWSFBFJOBFD-WBVHZDCISA-N 0 1 361.348 3.048 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3cccc(OC)c3)CC2)c1[N+](=O)[O-] ZINC000363184421 498692755 /nfs/dbraw/zinc/69/27/55/498692755.db2.gz XKEVFYNURLGKRP-UHFFFAOYSA-N 0 1 370.409 3.209 20 5 FGBDMN Cc1ccc(C[C@@H](C)N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000303787956 498714314 /nfs/dbraw/zinc/71/43/14/498714314.db2.gz ULKVKNGLWPBOBV-MRXNPFEDSA-N 0 1 367.449 3.355 20 5 FGBDMN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]2C ZINC000332534147 498716318 /nfs/dbraw/zinc/71/63/18/498716318.db2.gz UBWZMPBMAXAARN-NWDGAFQWSA-N 0 1 356.378 3.457 20 5 FGBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612360 498742365 /nfs/dbraw/zinc/74/23/65/498742365.db2.gz QDCCQTDFDSQSLH-WCQYABFASA-N 0 1 352.822 3.339 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287497503 498777585 /nfs/dbraw/zinc/77/75/85/498777585.db2.gz JAQNCFOQAPKJMR-UHFFFAOYSA-N 0 1 360.414 3.482 20 5 FGBDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)n[nH]1 ZINC000283382075 498868741 /nfs/dbraw/zinc/86/87/41/498868741.db2.gz RQIKSQKHIJWNAS-CYBMUJFWSA-N 0 1 353.382 3.127 20 5 FGBDMN COc1cc(CN2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000295017104 498882490 /nfs/dbraw/zinc/88/24/90/498882490.db2.gz KEGLDCRXIUHJGR-LLVKDONJSA-N 0 1 362.398 3.185 20 5 FGBDMN COC[C@]1(C)CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000295030404 498885963 /nfs/dbraw/zinc/88/59/63/498885963.db2.gz DDHHXJRIYGLGGZ-QGZVFWFLSA-N 0 1 374.384 3.106 20 5 FGBDMN CC[C@H](C)N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000295269252 498960696 /nfs/dbraw/zinc/96/06/96/498960696.db2.gz AQQIRCGRQQQCPK-UONOGXRCSA-N 0 1 359.430 3.122 20 5 FGBDMN Cc1cc(OCC(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)ccc1[N+](=O)[O-] ZINC000366606823 499000298 /nfs/dbraw/zinc/00/02/98/499000298.db2.gz HRTFYNCBKIQQFF-UHFFFAOYSA-N 0 1 367.405 3.399 20 5 FGBDMN Cc1cc(OCC(=O)Nc2cccc3c2CN(C2CC2)C3)ccc1[N+](=O)[O-] ZINC000366606823 499000310 /nfs/dbraw/zinc/00/03/10/499000310.db2.gz HRTFYNCBKIQQFF-UHFFFAOYSA-N 0 1 367.405 3.399 20 5 FGBDMN CCCn1ccnc1CCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871502 499003202 /nfs/dbraw/zinc/00/32/02/499003202.db2.gz AHPHOJIVEBLFDZ-UHFFFAOYSA-N 0 1 361.402 3.174 20 5 FGBDMN COCCn1ncc2c1[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000363912121 499049641 /nfs/dbraw/zinc/04/96/41/499049641.db2.gz WNLCZQLOFPMWKO-YOEHRIQHSA-N 0 1 358.442 3.474 20 5 FGBDMN C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284240556 499074710 /nfs/dbraw/zinc/07/47/10/499074710.db2.gz VAVZIPHGCQHWJS-JTQLQIEISA-N 0 1 370.331 3.364 20 5 FGBDMN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284246919 499075876 /nfs/dbraw/zinc/07/58/76/499075876.db2.gz VKWKGORMBFVDBO-CQSZACIVSA-N 0 1 355.442 3.413 20 5 FGBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000371545892 499340203 /nfs/dbraw/zinc/34/02/03/499340203.db2.gz XQOTVVJWNKNXDA-KSSFIOAISA-N 0 1 357.454 3.379 20 5 FGBDMN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccc(Cl)c1 ZINC000369358944 499395110 /nfs/dbraw/zinc/39/51/10/499395110.db2.gz OETSSPCWJRSFAJ-LRDDRELGSA-N 0 1 363.801 3.264 20 5 FGBDMN Cc1ncc(CN2CC[C@H](Nc3nccc(C)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369592236 499423701 /nfs/dbraw/zinc/42/37/01/499423701.db2.gz QDYQOVSAUOUJBR-DOMZBBRYSA-N 0 1 361.471 3.386 20 5 FGBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(-c4ccco4)s3)CC2)n1 ZINC000369682238 499435808 /nfs/dbraw/zinc/43/58/08/499435808.db2.gz CLFYZLBHQADZEG-UHFFFAOYSA-N 0 1 359.411 3.345 20 5 FGBDMN CCn1ccnc1[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000373746204 499486081 /nfs/dbraw/zinc/48/60/81/499486081.db2.gz NPWLSEBSFZGOIA-OAHLLOKOSA-N 0 1 368.397 3.055 20 5 FGBDMN COCc1nccc([C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000378350945 499505437 /nfs/dbraw/zinc/50/54/37/499505437.db2.gz QDOULKKWZZUAAB-BBOMDTFKSA-N 0 1 368.437 3.424 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000398159526 499566662 /nfs/dbraw/zinc/56/66/62/499566662.db2.gz FRQYTBZAVKTCFR-ZFWWWQNUSA-N 0 1 370.409 3.011 20 5 FGBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000408411612 499587490 /nfs/dbraw/zinc/58/74/90/499587490.db2.gz JCXUVULFDULEGY-GXTWGEPZSA-N 0 1 351.834 3.255 20 5 FGBDMN Cc1ncc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377793058 499734829 /nfs/dbraw/zinc/73/48/29/499734829.db2.gz QFNIMKFLSLAXDE-YVEFUNNKSA-N 0 1 374.466 3.000 20 5 FGBDMN COc1cc(CN2CC3(CCOCC3)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000414517956 499802078 /nfs/dbraw/zinc/80/20/78/499802078.db2.gz ALQPOUFBLFPMTQ-GOSISDBHSA-N 0 1 364.442 3.249 20 5 FGBDMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000579378163 506160374 /nfs/dbraw/zinc/16/03/74/506160374.db2.gz PYYMYXSLYARSMM-MAUKXSAKSA-N 0 1 362.426 3.329 20 5 FGBDMN CN(C(=O)C12CCCN1CCC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000415400468 499891533 /nfs/dbraw/zinc/89/15/33/499891533.db2.gz ZTVKPVMSDMYPPQ-UHFFFAOYSA-N 0 1 372.450 3.310 20 5 FGBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n1)OC2 ZINC000570436007 506167210 /nfs/dbraw/zinc/16/72/10/506167210.db2.gz WOVBOOHCANYDFI-BBRMVZONSA-N 0 1 364.789 3.224 20 5 FGBDMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000421166129 499979608 /nfs/dbraw/zinc/97/96/08/499979608.db2.gz OVYDBLXTDGGTIG-AWEZNQCLSA-N 0 1 373.475 3.218 20 5 FGBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(C2CCC2)CC1 ZINC000425402533 500094731 /nfs/dbraw/zinc/09/47/31/500094731.db2.gz INASGTDPCDVLEU-UHFFFAOYSA-N 0 1 354.248 3.027 20 5 FGBDMN CC(C)(C)OC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000417596181 500120488 /nfs/dbraw/zinc/12/04/88/500120488.db2.gz KSDJIMAUSYSQCA-HNNXBMFYSA-N 0 1 362.382 3.213 20 5 FGBDMN CCN(CCOc1ccccc1C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000421977594 500188523 /nfs/dbraw/zinc/18/85/23/500188523.db2.gz WTJYHRVSRDNNMN-UHFFFAOYSA-N 0 1 360.414 3.291 20 5 FGBDMN COc1ccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000425912738 500211032 /nfs/dbraw/zinc/21/10/32/500211032.db2.gz DZCPLPRLYQNTPW-UHFFFAOYSA-N 0 1 368.393 3.037 20 5 FGBDMN CCN(CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CCC(F)(F)F ZINC000427204203 500367104 /nfs/dbraw/zinc/36/71/04/500367104.db2.gz JTMSDWPWPSLUTB-UHFFFAOYSA-N 0 1 372.347 3.080 20 5 FGBDMN CC(F)(F)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000432283350 500493515 /nfs/dbraw/zinc/49/35/15/500493515.db2.gz DWPWODGDFPFDSZ-UHFFFAOYSA-N 0 1 374.340 3.324 20 5 FGBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1[N+](=O)[O-] ZINC000442845002 500634375 /nfs/dbraw/zinc/63/43/75/500634375.db2.gz HFXTVKVDQUNGAY-UHFFFAOYSA-N 0 1 366.326 3.290 20 5 FGBDMN COc1cc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000443349776 500713647 /nfs/dbraw/zinc/71/36/47/500713647.db2.gz YSVLHZIYEIMRNY-GMXVVIOVSA-N 0 1 374.384 3.186 20 5 FGBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000443935807 500780601 /nfs/dbraw/zinc/78/06/01/500780601.db2.gz IQNFEYZSTVSVIT-LHLIQPBNSA-N 0 1 360.379 3.220 20 5 FGBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000443944300 500781449 /nfs/dbraw/zinc/78/14/49/500781449.db2.gz NJBIHSYIFRTGDV-CABZTGNLSA-N 0 1 354.350 3.159 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1[N+](=O)[O-] ZINC000434183927 500807661 /nfs/dbraw/zinc/80/76/61/500807661.db2.gz PUSBZXHQDPXSGS-UHFFFAOYSA-N 0 1 360.292 3.239 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccccc3)[C@H]3CCOC3)nc2c1 ZINC000444679204 500877561 /nfs/dbraw/zinc/87/75/61/500877561.db2.gz ZNLCNBKYEZIXLU-IFXJQAMLSA-N 0 1 352.394 3.339 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n[nH]1 ZINC000444972146 500928146 /nfs/dbraw/zinc/92/81/46/500928146.db2.gz BLVIEXXPBHOYSN-LBPRGKRZSA-N 0 1 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000138377438 495460308 /nfs/dbraw/zinc/46/03/08/495460308.db2.gz AACGGWNWTBENHD-CQSZACIVSA-N 0 1 357.410 3.110 20 5 FGBDMN Cc1cccnc1[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000120962397 495493481 /nfs/dbraw/zinc/49/34/81/495493481.db2.gz OQQQVOADLKSIDH-ROUUACIJSA-N 0 1 368.437 3.390 20 5 FGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000154283878 495568664 /nfs/dbraw/zinc/56/86/64/495568664.db2.gz YLTUFGTZPVLVRU-RHSMWYFYSA-N 0 1 369.421 3.450 20 5 FGBDMN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000173524910 495573688 /nfs/dbraw/zinc/57/36/88/495573688.db2.gz PESLYPHQAMWHMZ-HNNXBMFYSA-N 0 1 371.412 3.471 20 5 FGBDMN Cc1cccc(COc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)c1 ZINC000179497572 495615601 /nfs/dbraw/zinc/61/56/01/495615601.db2.gz UWWQVZYHQLTTLR-UHFFFAOYSA-N 0 1 366.377 3.135 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179603092 495658361 /nfs/dbraw/zinc/65/83/61/495658361.db2.gz YXKISWRKNFQCTN-ZDUSSCGKSA-N 0 1 370.413 3.310 20 5 FGBDMN C[C@H](CO[C@H]1CCOC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151172204 495761527 /nfs/dbraw/zinc/76/15/27/495761527.db2.gz FZGXICSQRPEDQO-WBMJQRKESA-N 0 1 363.439 3.002 20 5 FGBDMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179940970 495793150 /nfs/dbraw/zinc/79/31/50/495793150.db2.gz CVCMUKNVXZCQDV-GFCCVEGCSA-N 0 1 361.373 3.422 20 5 FGBDMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000174035153 495797225 /nfs/dbraw/zinc/79/72/25/495797225.db2.gz XXKNTCUEPMDUIL-LBPRGKRZSA-N 0 1 355.460 3.005 20 5 FGBDMN CN(c1ccccc1)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155003763 495800195 /nfs/dbraw/zinc/80/01/95/495800195.db2.gz HDXQCUWYJTWARL-INIZCTEOSA-N 0 1 368.437 3.060 20 5 FGBDMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)[nH]n2)o1 ZINC000179967601 495804191 /nfs/dbraw/zinc/80/41/91/495804191.db2.gz VVVOTAWZJSZNMD-UHFFFAOYSA-N 0 1 352.310 3.015 20 5 FGBDMN Cc1c(CC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000159939100 495845639 /nfs/dbraw/zinc/84/56/39/495845639.db2.gz LEMGCTWBHNPXOZ-SFHVURJKSA-N 0 1 359.401 3.004 20 5 FGBDMN CN1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180170663 495890292 /nfs/dbraw/zinc/89/02/92/495890292.db2.gz SKRUJTYJQSZPJH-RDJZCZTQSA-N 0 1 359.813 3.423 20 5 FGBDMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000151619441 495895892 /nfs/dbraw/zinc/89/58/92/495895892.db2.gz YHBFDSBDGCMYHG-ZBFHGGJFSA-N 0 1 369.421 3.368 20 5 FGBDMN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000155406948 495947734 /nfs/dbraw/zinc/94/77/34/495947734.db2.gz BNHVUBTVJTVITI-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180417250 495988901 /nfs/dbraw/zinc/98/89/01/495988901.db2.gz OHKYPNBRZOUKPT-SNVBAGLBSA-N 0 1 353.831 3.277 20 5 FGBDMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000186432924 495995983 /nfs/dbraw/zinc/99/59/83/495995983.db2.gz HVKAEOOXMQOQIY-CYBMUJFWSA-N 0 1 353.382 3.143 20 5 FGBDMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000183743491 496100326 /nfs/dbraw/zinc/10/03/26/496100326.db2.gz IKJGGKMWUSWLGM-HXUWFJFHSA-N 0 1 355.438 3.066 20 5 FGBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000183787161 496116319 /nfs/dbraw/zinc/11/63/19/496116319.db2.gz DOWBABYZYAQQGU-SMDDNHRTSA-N 0 1 368.792 3.478 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3Cc4ccccc4[C@@H]3O)cs2)c1 ZINC000172068328 496150179 /nfs/dbraw/zinc/15/01/79/496150179.db2.gz FZBHQAIUSYMJRN-MSOLQXFVSA-N 0 1 367.430 3.466 20 5 FGBDMN CCN1CCN(c2ccccc2NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000152682676 496225018 /nfs/dbraw/zinc/22/50/18/496225018.db2.gz CKHCPBKLVIFWFT-UHFFFAOYSA-N 0 1 368.437 3.297 20 5 FGBDMN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172360961 496268909 /nfs/dbraw/zinc/26/89/09/496268909.db2.gz YONOWEOOWRZSCU-UHFFFAOYSA-N 0 1 352.325 3.327 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000178018910 496289372 /nfs/dbraw/zinc/28/93/72/496289372.db2.gz WUDIIKMRGGLDPU-UHFFFAOYSA-N 0 1 369.208 3.386 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000178190718 496362448 /nfs/dbraw/zinc/36/24/48/496362448.db2.gz MIORZPBSUFISGE-UHFFFAOYSA-N 0 1 358.379 3.094 20 5 FGBDMN CCC[C@H](NCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181395326 496376952 /nfs/dbraw/zinc/37/69/52/496376952.db2.gz VYCHAHZMBHVNHC-IBGZPJMESA-N 0 1 355.438 3.385 20 5 FGBDMN CCOc1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181399981 496380183 /nfs/dbraw/zinc/38/01/83/496380183.db2.gz AFPWOKNIXQRUHD-OAHLLOKOSA-N 0 1 371.437 3.003 20 5 FGBDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413914 496380447 /nfs/dbraw/zinc/38/04/47/496380447.db2.gz FAQQFVJWVWCSHL-DLUDVSRJSA-N 0 1 362.451 3.404 20 5 FGBDMN Cc1c([C@H](C)NCc2ccccc2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000178299019 496404160 /nfs/dbraw/zinc/40/41/60/496404160.db2.gz WQVLYFHMEOULQU-AWEZNQCLSA-N 0 1 362.451 3.299 20 5 FGBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCCCCC1 ZINC000187358018 496408046 /nfs/dbraw/zinc/40/80/46/496408046.db2.gz AUVKDOREMSTSSQ-UHFFFAOYSA-N 0 1 360.414 3.162 20 5 FGBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000181483421 496414898 /nfs/dbraw/zinc/41/48/98/496414898.db2.gz HYHUULCWZNQWJU-FZMZJTMJSA-N 0 1 374.384 3.188 20 5 FGBDMN COc1ccc(-c2cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])[nH]n2)cc1 ZINC000178404245 496443554 /nfs/dbraw/zinc/44/35/54/496443554.db2.gz QDRMDYLNLSPNFM-UHFFFAOYSA-N 0 1 364.361 3.196 20 5 FGBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H](C)N1 ZINC000153445021 496458914 /nfs/dbraw/zinc/45/89/14/496458914.db2.gz FJLXVNSEMNLRDV-ZIAGYGMSSA-N 0 1 355.394 3.210 20 5 FGBDMN C[C@@H](Cn1cc(Br)cn1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184665818 496485798 /nfs/dbraw/zinc/48/57/98/496485798.db2.gz YQOSDSJHDXRXHM-VIFPVBQESA-N 0 1 373.638 3.386 20 5 FGBDMN COc1cc(CNc2nnc(Cc3ccc(F)cc3)o2)cc([N+](=O)[O-])c1O ZINC000181698227 496507198 /nfs/dbraw/zinc/50/71/98/496507198.db2.gz XEXDEWKYLMOXKR-UHFFFAOYSA-N 0 1 374.328 3.034 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CC[NH+]=C2[O-])cc1 ZINC000163394379 496509477 /nfs/dbraw/zinc/50/94/77/496509477.db2.gz KLKWNCBVOKLZRW-UHFFFAOYSA-N 0 1 356.382 3.135 20 5 FGBDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000163461033 496518058 /nfs/dbraw/zinc/51/80/58/496518058.db2.gz VWNOTZANPQWXJH-GFCCVEGCSA-N 0 1 368.480 3.409 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000178690137 496541681 /nfs/dbraw/zinc/54/16/81/496541681.db2.gz BSACHFUINQQCQU-KGLIPLIRSA-N 0 1 359.401 3.398 20 5 FGBDMN COC(=O)c1cccc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c21 ZINC000157786149 496555233 /nfs/dbraw/zinc/55/52/33/496555233.db2.gz XMYHXNZKDNKQJN-UHFFFAOYSA-N 0 1 374.740 3.163 20 5 FGBDMN CC(C)Oc1nc(NCc2ccc(F)c(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000580844616 505851583 /nfs/dbraw/zinc/85/15/83/505851583.db2.gz SHOLFNFCJXWRFT-UHFFFAOYSA-N 0 1 362.405 3.012 20 5 FGBDMN CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181830037 496563909 /nfs/dbraw/zinc/56/39/09/496563909.db2.gz MHCXXXXUBXQGQK-ZDUSSCGKSA-N 0 1 370.409 3.151 20 5 FGBDMN CC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268835333 496799094 /nfs/dbraw/zinc/79/90/94/496799094.db2.gz XUHPPUGVUSGLHZ-GOSISDBHSA-N 0 1 362.451 3.251 20 5 FGBDMN CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000188480937 496804700 /nfs/dbraw/zinc/80/47/00/496804700.db2.gz UGIUDNLIXUHXPG-CQSZACIVSA-N 0 1 368.397 3.042 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1[N+](=O)[O-] ZINC000188480937 496804705 /nfs/dbraw/zinc/80/47/05/496804705.db2.gz UGIUDNLIXUHXPG-CQSZACIVSA-N 0 1 368.397 3.042 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000188480937 496804706 /nfs/dbraw/zinc/80/47/06/496804706.db2.gz UGIUDNLIXUHXPG-CQSZACIVSA-N 0 1 368.397 3.042 20 5 FGBDMN O=[N+]([O-])c1cn(Cc2nc3ccc(Br)cc3[nH]2)nc1C1CC1 ZINC000195056931 496807565 /nfs/dbraw/zinc/80/75/65/496807565.db2.gz WQFOQFNMQMWKPJ-UHFFFAOYSA-N 0 1 362.187 3.356 20 5 FGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000277886030 496921659 /nfs/dbraw/zinc/92/16/59/496921659.db2.gz PLUIDHIMRMYDPZ-VHSXEESVSA-N 0 1 356.386 3.199 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000216137976 496986710 /nfs/dbraw/zinc/98/67/10/496986710.db2.gz YXTHEGMEXQVZSB-UHFFFAOYSA-N 0 1 369.830 3.423 20 5 FGBDMN COc1ccc(CC(C)(C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000189064302 496995948 /nfs/dbraw/zinc/99/59/48/496995948.db2.gz VYOVBTQJCRIDGL-UHFFFAOYSA-N 0 1 368.393 3.231 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccco2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000270198483 497076173 /nfs/dbraw/zinc/07/61/73/497076173.db2.gz ORCPXHGRNARMKK-UHFFFAOYSA-N 0 1 369.381 3.272 20 5 FGBDMN CNC(=O)c1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279034776 497312286 /nfs/dbraw/zinc/31/22/86/497312286.db2.gz ITRRYRCBJOTIIG-SFHVURJKSA-N 0 1 353.422 3.467 20 5 FGBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])s3)C1)CCCC2 ZINC000275401971 497314562 /nfs/dbraw/zinc/31/45/62/497314562.db2.gz RTOXDKCHONOTST-LBPRGKRZSA-N 0 1 360.439 3.127 20 5 FGBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C1)CCCC2 ZINC000275454103 497330745 /nfs/dbraw/zinc/33/07/45/497330745.db2.gz WIFCNHRWXOCFBX-AWEZNQCLSA-N 0 1 372.400 3.205 20 5 FGBDMN CN1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275555097 497362209 /nfs/dbraw/zinc/36/22/09/497362209.db2.gz VWAVAFKBTMCBCG-UHFFFAOYSA-N 0 1 371.387 3.196 20 5 FGBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581093586 505907728 /nfs/dbraw/zinc/90/77/28/505907728.db2.gz JGKMZVXZWWNNQA-FQEVSTJZSA-N 0 1 369.469 3.222 20 5 FGBDMN COC[C@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000279931850 497593580 /nfs/dbraw/zinc/59/35/80/497593580.db2.gz YCYIUIUPFLXESB-ZDUSSCGKSA-N 0 1 366.801 3.137 20 5 FGBDMN COC(=O)C[C@](C)(NC/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000190974037 497667341 /nfs/dbraw/zinc/66/73/41/497667341.db2.gz XLGCFSHWPPHGSI-XZXOBPBMSA-N 0 1 355.394 3.071 20 5 FGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000276878867 497677555 /nfs/dbraw/zinc/67/75/55/497677555.db2.gz IFIKBPUKADUSSU-ZJUUUORDSA-N 0 1 365.821 3.300 20 5 FGBDMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000194480133 497681596 /nfs/dbraw/zinc/68/15/96/497681596.db2.gz UWXRFFAXOAZKFC-KRWDZBQOSA-N 0 1 374.441 3.412 20 5 FGBDMN Cc1cc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000272954867 497770201 /nfs/dbraw/zinc/77/02/01/497770201.db2.gz MZZGQZPVUFKBCG-CQSZACIVSA-N 0 1 371.441 3.141 20 5 FGBDMN COc1ccc(CN2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000301080427 497942169 /nfs/dbraw/zinc/94/21/69/497942169.db2.gz JFEYYLCCNLSBLS-UHFFFAOYSA-N 0 1 359.401 3.455 20 5 FGBDMN Cc1cccc(C(=O)NCC2(C)CN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364423506 497949668 /nfs/dbraw/zinc/94/96/68/497949668.db2.gz XJEZVVNYCAGDFH-UHFFFAOYSA-N 0 1 353.422 3.155 20 5 FGBDMN CC(C)(C)OC(=O)CCN(Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000581367582 505972370 /nfs/dbraw/zinc/97/23/70/505972370.db2.gz GLCAZSKZWKJDHF-UHFFFAOYSA-N 0 1 370.471 3.369 20 5 FGBDMN COc1cccc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000301395428 498091108 /nfs/dbraw/zinc/09/11/08/498091108.db2.gz FEEUNMQSJXWCIF-OAHLLOKOSA-N 0 1 371.437 3.495 20 5 FGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000296687109 498153815 /nfs/dbraw/zinc/15/38/15/498153815.db2.gz JFVSCAGONSXDRK-IYOUNJFTSA-N 0 1 369.421 3.274 20 5 FGBDMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000292831383 498163337 /nfs/dbraw/zinc/16/33/37/498163337.db2.gz UFCCLDFJSSUVKN-IBGZPJMESA-N 0 1 369.421 3.027 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000281814020 498278315 /nfs/dbraw/zinc/27/83/15/498278315.db2.gz XAICVZSGIAHCRU-UHFFFAOYSA-N 0 1 360.414 3.120 20 5 FGBDMN Cc1cc(NC2CCN(c3ncccn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302063090 498391605 /nfs/dbraw/zinc/39/16/05/498391605.db2.gz ABYZWNUPKCAAAC-UHFFFAOYSA-N 0 1 364.409 3.322 20 5 FGBDMN CC(C)N1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302157593 498421056 /nfs/dbraw/zinc/42/10/56/498421056.db2.gz FRWNWMMLLQXMFV-UHFFFAOYSA-N 0 1 356.426 3.099 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000331764396 498446685 /nfs/dbraw/zinc/44/66/85/498446685.db2.gz CVDWDOHSXGFPNZ-ZYHUDNBSSA-N 0 1 364.427 3.105 20 5 FGBDMN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293804144 498495073 /nfs/dbraw/zinc/49/50/73/498495073.db2.gz RGCSEXGVUURSGZ-ZDUSSCGKSA-N 0 1 356.426 3.168 20 5 FGBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 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CC(C)(C)Oc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000576576525 506190879 /nfs/dbraw/zinc/19/08/79/506190879.db2.gz GFZOIALTLTZKFI-UHFFFAOYSA-N 0 1 372.425 3.286 20 5 FGBDMN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427985097 500454510 /nfs/dbraw/zinc/45/45/10/500454510.db2.gz ZXJOGXOTPORZDF-UHFFFAOYSA-N 0 1 358.354 3.003 20 5 FGBDMN C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C(N)=O)C1 ZINC000428456948 500512567 /nfs/dbraw/zinc/51/25/67/500512567.db2.gz GJPBBQNAHCVICI-WBMJQRKESA-N 0 1 359.451 3.409 20 5 FGBDMN Cc1ccnc(NC[C@@H]2CSCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428676037 500542030 /nfs/dbraw/zinc/54/20/30/500542030.db2.gz XNFYBNIHZKMREL-MRXNPFEDSA-N 0 1 358.467 3.328 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607269 506204289 /nfs/dbraw/zinc/20/42/89/506204289.db2.gz PVUYBZLMMSUVHC-SFHVURJKSA-N 0 1 353.422 3.240 20 5 FGBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccn(-c3ccccc3)n2)n1 ZINC000447563652 500625245 /nfs/dbraw/zinc/62/52/45/500625245.db2.gz RIOAWYRLENKETR-MSOLQXFVSA-N 0 1 366.425 3.251 20 5 FGBDMN CO[C@H](C)c1nc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000447584826 500629936 /nfs/dbraw/zinc/62/99/36/500629936.db2.gz HUCVZSGTYXNWLS-XBFCOCLRSA-N 0 1 365.459 3.229 20 5 FGBDMN COc1cccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000447730713 500654851 /nfs/dbraw/zinc/65/48/51/500654851.db2.gz RAIOXRJLLHQJTN-OAHLLOKOSA-N 0 1 371.393 3.241 20 5 FGBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000447812490 500668275 /nfs/dbraw/zinc/66/82/75/500668275.db2.gz RPFBNBBOCIZJRT-QMMMGPOBSA-N 0 1 352.778 3.109 20 5 FGBDMN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccn5cncc5c4)no3)n2)cc1 ZINC000447957672 500696102 /nfs/dbraw/zinc/69/61/02/500696102.db2.gz ANHFHPOFRGYTOR-UHFFFAOYSA-N 0 1 373.332 3.145 20 5 FGBDMN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000443574137 500739779 /nfs/dbraw/zinc/73/97/79/500739779.db2.gz KOGBMDFMKJAARI-UHFFFAOYSA-N 0 1 358.228 3.157 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000433771576 500741986 /nfs/dbraw/zinc/74/19/86/500741986.db2.gz RILRYECYTOAWRA-ZDUSSCGKSA-N 0 1 360.389 3.285 20 5 FGBDMN CSc1cccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1[N+](=O)[O-] ZINC000443685212 500755647 /nfs/dbraw/zinc/75/56/47/500755647.db2.gz UWZLECVORPCJBE-UHFFFAOYSA-N 0 1 355.379 3.354 20 5 FGBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000443927507 500778981 /nfs/dbraw/zinc/77/89/81/500778981.db2.gz LYIIIDHZNHNPMA-PRHODGIISA-N 0 1 354.350 3.159 20 5 FGBDMN CN(C)Cc1ccnc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444108934 500803736 /nfs/dbraw/zinc/80/37/36/500803736.db2.gz KKENJEHVCILRAD-UHFFFAOYSA-N 0 1 372.428 3.390 20 5 FGBDMN COc1ccccc1C[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434177634 500807047 /nfs/dbraw/zinc/80/70/47/500807047.db2.gz QDJNFKKKWFCNCO-AWEZNQCLSA-N 0 1 372.425 3.297 20 5 FGBDMN CN(CC1(c2ccccc2)CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444686928 500878742 /nfs/dbraw/zinc/87/87/42/500878742.db2.gz UKKJVJFHJMACRN-LJQANCHMSA-N 0 1 365.433 3.364 20 5 FGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCOCc1ccccc1 ZINC000439466276 500900218 /nfs/dbraw/zinc/90/02/18/500900218.db2.gz HDMFZYSNPQQRTN-INIZCTEOSA-N 0 1 371.437 3.461 20 5 FGBDMN CN(CCN1CCOC(C)(C)C1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435053072 500927767 /nfs/dbraw/zinc/92/77/67/500927767.db2.gz ZOMINOQEQDQOTA-UHFFFAOYSA-N 0 1 373.453 3.397 20 5 FGBDMN O=[N+]([O-])c1sc(CNCCNc2ccccn2)cc1Br ZINC000602593975 506226151 /nfs/dbraw/zinc/22/61/51/506226151.db2.gz MXZKBNKEARSGOB-UHFFFAOYSA-N 0 1 357.233 3.016 20 5 FGBDMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000440031474 500968012 /nfs/dbraw/zinc/96/80/12/500968012.db2.gz RLVDXVJZBIXUJB-LJQANCHMSA-N 0 1 358.394 3.104 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000445820357 501037059 /nfs/dbraw/zinc/03/70/59/501037059.db2.gz UFYXRYCLCZRHBQ-ACJLOTCBSA-N 0 1 354.410 3.366 20 5 FGBDMN Cc1ccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449643622 501048604 /nfs/dbraw/zinc/04/86/04/501048604.db2.gz BGLYYOVKYODIOE-LSDHHAIUSA-N 0 1 353.422 3.359 20 5 FGBDMN O=c1[nH]ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596061485 506235146 /nfs/dbraw/zinc/23/51/46/506235146.db2.gz AXPGPUDEFFEHIE-UHFFFAOYSA-N 0 1 362.817 3.425 20 5 FGBDMN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)Cc1ccccc1 ZINC000446429228 501120561 /nfs/dbraw/zinc/12/05/61/501120561.db2.gz GPPQZFPEDSIEDO-HNNXBMFYSA-N 0 1 353.422 3.000 20 5 FGBDMN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000436869675 501224419 /nfs/dbraw/zinc/22/44/19/501224419.db2.gz KDTHLUNVNAHFCE-GDBMZVCRSA-N 0 1 369.421 3.083 20 5 FGBDMN C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894006 501228772 /nfs/dbraw/zinc/22/87/72/501228772.db2.gz REQDPNROKMPTAF-GJZGRUSLSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894006 501228774 /nfs/dbraw/zinc/22/87/74/501228774.db2.gz REQDPNROKMPTAF-GJZGRUSLSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1(F)F ZINC000451388297 501281062 /nfs/dbraw/zinc/28/10/62/501281062.db2.gz JQZSCFLKYAYPPP-JTQLQIEISA-N 0 1 350.325 3.102 20 5 FGBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452175609 501454016 /nfs/dbraw/zinc/45/40/16/501454016.db2.gz UBUPTJXTPYRCIN-CYBMUJFWSA-N 0 1 363.483 3.263 20 5 FGBDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454513822 501565837 /nfs/dbraw/zinc/56/58/37/501565837.db2.gz ISBNRIMQDLKGET-NSHDSACASA-N 0 1 372.372 3.144 20 5 FGBDMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454613908 501592365 /nfs/dbraw/zinc/59/23/65/501592365.db2.gz IHSYONIMFLANMW-KRWDZBQOSA-N 0 1 371.441 3.148 20 5 FGBDMN CC(C)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCCC1 ZINC000459534448 501671339 /nfs/dbraw/zinc/67/13/39/501671339.db2.gz QESCMYAGNCDVFW-QGZVFWFLSA-N 0 1 374.441 3.312 20 5 FGBDMN NC(=O)C1(NCc2ccc(Cl)cc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459786901 501714328 /nfs/dbraw/zinc/71/43/28/501714328.db2.gz PYYMLJHOIIQWSE-UHFFFAOYSA-N 0 1 363.845 3.018 20 5 FGBDMN COc1cc2c(cc1OC)[C@@H](N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CC2 ZINC000602730284 506276375 /nfs/dbraw/zinc/27/63/75/506276375.db2.gz ATXRKIOMAQUUDD-PXNSSMCTSA-N 0 1 372.421 3.097 20 5 FGBDMN Cc1nc(-c2ccc([C@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)cs1 ZINC000481618888 501834353 /nfs/dbraw/zinc/83/43/53/501834353.db2.gz ACZOSNPHNANNIV-VIFPVBQESA-N 0 1 357.395 3.241 20 5 FGBDMN CCN1CC[NH+](Cc2ccccc2CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000481707261 501855942 /nfs/dbraw/zinc/85/59/42/501855942.db2.gz QYLDLVVSLNOSPU-UHFFFAOYSA-N 0 1 369.469 3.048 20 5 FGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000471043099 501900828 /nfs/dbraw/zinc/90/08/28/501900828.db2.gz YQFLLQDWJYLEQJ-UHFFFAOYSA-N 0 1 361.442 3.084 20 5 FGBDMN CCC1(CC)[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000485755432 501925999 /nfs/dbraw/zinc/92/59/99/501925999.db2.gz NQSZUZKWBVFPNG-SJORKVTESA-N 0 1 363.458 3.083 20 5 FGBDMN CCn1ncc2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc21 ZINC000481985852 501936022 /nfs/dbraw/zinc/93/60/22/501936022.db2.gz YLNTWDYKBFGMAR-UHFFFAOYSA-N 0 1 374.422 3.382 20 5 FGBDMN COc1cccc(N2C[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)CC2=O)c1 ZINC000482034069 501954076 /nfs/dbraw/zinc/95/40/76/501954076.db2.gz PTJBBHOQPUKXCM-HUUCEWRRSA-N 0 1 369.421 3.368 20 5 FGBDMN O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000486238171 502094143 /nfs/dbraw/zinc/09/41/43/502094143.db2.gz SOAOVLHHPMBZLU-HNNXBMFYSA-N 0 1 364.361 3.239 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)c1[N+](=O)[O-] ZINC000482839464 502193243 /nfs/dbraw/zinc/19/32/43/502193243.db2.gz BITKJLYZYXOJAI-UHFFFAOYSA-N 0 1 374.441 3.329 20 5 FGBDMN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486785777 502260250 /nfs/dbraw/zinc/26/02/50/502260250.db2.gz FABHVAZZMPZZRY-OCCSQVGLSA-N 0 1 363.414 3.163 20 5 FGBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1Cc2ccccc2C1 ZINC000479493131 502274803 /nfs/dbraw/zinc/27/48/03/502274803.db2.gz VICQRVAZGSQVNU-XOBRGWDASA-N 0 1 365.433 3.493 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000486907945 502298871 /nfs/dbraw/zinc/29/88/71/502298871.db2.gz XNLQZGPHWUJFTJ-RKDXNWHRSA-N 0 1 350.354 3.248 20 5 FGBDMN CCO[C@@H](C)c1ncc(C(=O)N=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000469136676 502311028 /nfs/dbraw/zinc/31/10/28/502311028.db2.gz WIOHQTIGSFBLCR-JTQLQIEISA-N 0 1 372.406 3.371 20 5 FGBDMN CC(C)[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462345758 502401308 /nfs/dbraw/zinc/40/13/08/502401308.db2.gz ILGWUQSVWNDYTM-QMMMGPOBSA-N 0 1 355.243 3.472 20 5 FGBDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000592976135 506318335 /nfs/dbraw/zinc/31/83/35/506318335.db2.gz MGBMLTTXGGQNOV-INIZCTEOSA-N 0 1 355.394 3.004 20 5 FGBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000592977009 506319606 /nfs/dbraw/zinc/31/96/06/506319606.db2.gz WNGQXTABTYIAFG-ZFWWWQNUSA-N 0 1 370.409 3.071 20 5 FGBDMN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN(Cc2ccncc2)CC1 ZINC000488062859 502615380 /nfs/dbraw/zinc/61/53/80/502615380.db2.gz HXRZUWXSUWCDJK-UHFFFAOYSA-N 0 1 363.421 3.036 20 5 FGBDMN Cc1c([C@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462947154 502638235 /nfs/dbraw/zinc/63/82/35/502638235.db2.gz QIYYFALWDXDEGW-KBPBESRZSA-N 0 1 357.385 3.498 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@]4(CCCOC4)C3)n2)cc1 ZINC000477047876 502660986 /nfs/dbraw/zinc/66/09/86/502660986.db2.gz JFNMHNKBBURTBA-GOSISDBHSA-N 0 1 358.398 3.037 20 5 FGBDMN Cc1cc(NC(=O)N(C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000480761068 502663163 /nfs/dbraw/zinc/66/31/63/502663163.db2.gz JQZIQWKHIZESCU-UHFFFAOYSA-N 0 1 360.414 3.482 20 5 FGBDMN CCN(CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000470139823 502674756 /nfs/dbraw/zinc/67/47/56/502674756.db2.gz FYKZEFMSZPPNQW-UHFFFAOYSA-N 0 1 366.315 3.130 20 5 FGBDMN CCNC(=O)N(C)c1cccc(N=c2[nH]c3ccccc3cc2[N+](=O)[O-])c1 ZINC000480846299 502687075 /nfs/dbraw/zinc/68/70/75/502687075.db2.gz RZVZPYARPQOLMI-UHFFFAOYSA-N 0 1 365.393 3.474 20 5 FGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000473768598 502701892 /nfs/dbraw/zinc/70/18/92/502701892.db2.gz XXQSZBSSJIOVRA-UHFFFAOYSA-N 0 1 360.313 3.430 20 5 FGBDMN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2n[nH]cc2c1 ZINC000512983598 502825829 /nfs/dbraw/zinc/82/58/29/502825829.db2.gz UJZNQYMLKYJWFS-NSHDSACASA-N 0 1 354.366 3.188 20 5 FGBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488890543 502832194 /nfs/dbraw/zinc/83/21/94/502832194.db2.gz DHDVETHVCOANHY-UHFFFAOYSA-N 0 1 366.255 3.464 20 5 FGBDMN COc1ccc(CN2CC[C@H]2CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000599138876 506339420 /nfs/dbraw/zinc/33/94/20/506339420.db2.gz IBSCVRGFPZJVMH-HNNXBMFYSA-N 0 1 357.410 3.298 20 5 FGBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000496772816 502905302 /nfs/dbraw/zinc/90/53/02/502905302.db2.gz ZIRJMGFCGWLXQM-JTQLQIEISA-N 0 1 363.443 3.439 20 5 FGBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000593020568 506340849 /nfs/dbraw/zinc/34/08/49/506340849.db2.gz OUADZSFUJUQOIE-VQIMIIECSA-N 0 1 370.405 3.249 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000489466242 502965271 /nfs/dbraw/zinc/96/52/71/502965271.db2.gz XHQYQRQFUUIZQX-KBPBESRZSA-N 0 1 374.441 3.068 20 5 FGBDMN CN(Cc1cccc(Br)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505752464 502978375 /nfs/dbraw/zinc/97/83/75/502978375.db2.gz FMCPOJVEYKNQQX-UHFFFAOYSA-N 0 1 365.183 3.335 20 5 FGBDMN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506187674 503065940 /nfs/dbraw/zinc/06/59/40/503065940.db2.gz CYBAKMWTXUHKSW-SNVBAGLBSA-N 0 1 357.391 3.271 20 5 FGBDMN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506187673 503066138 /nfs/dbraw/zinc/06/61/38/503066138.db2.gz CYBAKMWTXUHKSW-JTQLQIEISA-N 0 1 357.391 3.271 20 5 FGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000490005975 503087552 /nfs/dbraw/zinc/08/75/52/503087552.db2.gz RLMNWNVIXWXHRW-JTQLQIEISA-N 0 1 366.361 3.228 20 5 FGBDMN O=C(c1cccc2n[nH]cc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149084 503117970 /nfs/dbraw/zinc/11/79/70/503117970.db2.gz CJCWGDFKPQFMTA-QGZVFWFLSA-N 0 1 354.391 3.359 20 5 FGBDMN COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506467206 503120534 /nfs/dbraw/zinc/12/05/34/503120534.db2.gz QATGPZKNRXKZDM-SFHVURJKSA-N 0 1 355.438 3.310 20 5 FGBDMN C[C@@H]1COC[C@H](c2ccccc2)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000502011200 503126760 /nfs/dbraw/zinc/12/67/60/503126760.db2.gz WRAUHPILRWPWAL-SJKOYZFVSA-N 0 1 366.377 3.073 20 5 FGBDMN COC(=O)c1c(Cl)c(NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163646 506354637 /nfs/dbraw/zinc/35/46/37/506354637.db2.gz GIVFRKAMJNCZQK-GFCCVEGCSA-N 0 1 367.833 3.464 20 5 FGBDMN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506673168 503153836 /nfs/dbraw/zinc/15/38/36/503153836.db2.gz FYAJJRPVGKUTKH-UHFFFAOYSA-N 0 1 359.769 3.408 20 5 FGBDMN COc1ccc(C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)nc1 ZINC000593042088 506355083 /nfs/dbraw/zinc/35/50/83/506355083.db2.gz XQRSKTBKFFLJJZ-UHFFFAOYSA-N 0 1 357.410 3.387 20 5 FGBDMN O=C(CCNCc1ccn(C2CCCC2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000514788669 503193665 /nfs/dbraw/zinc/19/36/65/503193665.db2.gz MJMYHWFRFWZVAT-UHFFFAOYSA-N 0 1 357.414 3.025 20 5 FGBDMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000514829739 503203161 /nfs/dbraw/zinc/20/31/61/503203161.db2.gz KHVUGXUWOZUIFK-LLVKDONJSA-N 0 1 365.377 3.079 20 5 FGBDMN CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511111185 503257793 /nfs/dbraw/zinc/25/77/93/503257793.db2.gz UHNTVOQFXHDXNI-UHFFFAOYSA-N 0 1 369.421 3.301 20 5 FGBDMN CC(=O)c1ccc(NC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511111185 503257797 /nfs/dbraw/zinc/25/77/97/503257797.db2.gz UHNTVOQFXHDXNI-UHFFFAOYSA-N 0 1 369.421 3.301 20 5 FGBDMN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507292382 503270635 /nfs/dbraw/zinc/27/06/35/503270635.db2.gz RZLIUSLACRFUDV-ROUUACIJSA-N 0 1 356.378 3.168 20 5 FGBDMN O=C(NCc1ccccc1N1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507354865 503283782 /nfs/dbraw/zinc/28/37/82/503283782.db2.gz BZIGVFBPPICGQE-UHFFFAOYSA-N 0 1 355.394 3.221 20 5 FGBDMN O=[N+]([O-])c1cccc(CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000503262044 503379672 /nfs/dbraw/zinc/37/96/72/503379672.db2.gz ANOUOQJAPVEVAI-HNNXBMFYSA-N 0 1 351.200 3.181 20 5 FGBDMN CCN(Cc1cccc(Br)c1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000515816226 503406125 /nfs/dbraw/zinc/40/61/25/503406125.db2.gz MMIMBFGYOHIKPZ-UHFFFAOYSA-N 0 1 367.203 3.051 20 5 FGBDMN Cc1cc(C)c(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000493364853 503423010 /nfs/dbraw/zinc/42/30/10/503423010.db2.gz PBIRMDCNIHSTPF-UHFFFAOYSA-N 0 1 361.423 3.286 20 5 FGBDMN CCO[C@@H]1C[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C12CCOCC2 ZINC000503521661 503428138 /nfs/dbraw/zinc/42/81/38/503428138.db2.gz FPHNWEDNXFSKIG-JKSUJKDBSA-N 0 1 354.834 3.312 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000516307419 503491647 /nfs/dbraw/zinc/49/16/47/503491647.db2.gz KLOWHBDGUKPHPC-UHFFFAOYSA-N 0 1 372.421 3.221 20 5 FGBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000500440580 503625708 /nfs/dbraw/zinc/62/57/08/503625708.db2.gz WLLGPXGUBVXJBD-SJORKVTESA-N 0 1 367.449 3.259 20 5 FGBDMN COc1cc(OC)c(OC)cc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517039095 503649238 /nfs/dbraw/zinc/64/92/38/503649238.db2.gz BYSIJXKDUZYNDO-OAHLLOKOSA-N 0 1 358.394 3.398 20 5 FGBDMN CC(=O)NC1CCC(N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000543174275 503659740 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Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000159093856 495656892 /nfs/dbraw/zinc/65/68/92/495656892.db2.gz FXUGKDZMGAZCHX-CRAIPNDOSA-N 0 1 355.438 3.253 20 5 FGBDMN O=C(c1cccc(-c2nnc[nH]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159370748 495718623 /nfs/dbraw/zinc/71/86/23/495718623.db2.gz VJHPFVRQKQCHQC-UHFFFAOYSA-N 0 1 363.377 3.185 20 5 FGBDMN Cc1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000179762044 495723847 /nfs/dbraw/zinc/72/38/47/495723847.db2.gz RYCMURQSIYZONY-UHFFFAOYSA-N 0 1 355.438 3.372 20 5 FGBDMN COc1ccc2c(c1)nc(CNC/C=C/c1ccccc1[N+](=O)[O-])n2C ZINC000185832092 495741899 /nfs/dbraw/zinc/74/18/99/495741899.db2.gz MNARJVZDZZHACR-FNORWQNLSA-N 0 1 352.394 3.293 20 5 FGBDMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000183007051 495795619 /nfs/dbraw/zinc/79/56/19/495795619.db2.gz KCQAJQVFVWGXGB-AUUYWEPGSA-N 0 1 368.437 3.218 20 5 FGBDMN Cc1cnc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)s1 ZINC000174037125 495798266 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FGBDMN COc1ccccc1[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000153518926 496482965 /nfs/dbraw/zinc/48/29/65/496482965.db2.gz LPXBYJSUXSSJTD-AWEZNQCLSA-N 0 1 350.806 3.367 20 5 FGBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000184764191 496522974 /nfs/dbraw/zinc/52/29/74/496522974.db2.gz OZGGZBFDDQHZRN-UHFFFAOYSA-N 0 1 373.390 3.343 20 5 FGBDMN CCc1ccc([C@@H](COC)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000184807707 496539363 /nfs/dbraw/zinc/53/93/63/496539363.db2.gz GXZZBFVUBOFUOJ-MRXNPFEDSA-N 0 1 361.398 3.056 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000178684336 496539811 /nfs/dbraw/zinc/53/98/11/496539811.db2.gz HQWKCPBPOAAMIU-OLZOCXBDSA-N 0 1 371.393 3.310 20 5 FGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178686782 496540877 /nfs/dbraw/zinc/54/08/77/496540877.db2.gz AUUZOGXRZXGYKZ-KGLIPLIRSA-N 0 1 359.401 3.398 20 5 FGBDMN CC(=O)Nc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181828760 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361.442 3.029 20 5 FGBDMN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000188105875 496686363 /nfs/dbraw/zinc/68/63/63/496686363.db2.gz GBONHFDWFAAOIE-HIFRSBDPSA-N 0 1 358.394 3.486 20 5 FGBDMN CCc1ccc(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000158415786 496697239 /nfs/dbraw/zinc/69/72/39/496697239.db2.gz KZWGRDQHHCFNPN-UHFFFAOYSA-N 0 1 368.349 3.072 20 5 FGBDMN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176143266 496701741 /nfs/dbraw/zinc/70/17/41/496701741.db2.gz YRKMQZIGTMQTID-CYBMUJFWSA-N 0 1 356.304 3.322 20 5 FGBDMN CCCCOc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000191416658 496755520 /nfs/dbraw/zinc/75/55/20/496755520.db2.gz JUDJSIBGQUGDMP-UHFFFAOYSA-N 0 1 352.778 3.080 20 5 FGBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000269082491 496866501 /nfs/dbraw/zinc/86/65/01/496866501.db2.gz XOZKUJNMSSLCQT-QMMMGPOBSA-N 0 1 356.304 3.006 20 5 FGBDMN 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O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773631872 723808076 /nfs/dbraw/zinc/80/80/76/723808076.db2.gz ZCYJPDDCKPOBTN-CYBMUJFWSA-N 0 1 356.256 3.148 20 5 FGBDMN CC(C)(C)N1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778254912 724315758 /nfs/dbraw/zinc/31/57/58/724315758.db2.gz YMLAZXSYWOHFAU-UHFFFAOYSA-N 0 1 355.385 3.019 20 5 FGBDMN CC(=O)c1ccc(O)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000778422590 724330687 /nfs/dbraw/zinc/33/06/87/724330687.db2.gz CERMFKUTFFDHJC-UHFFFAOYSA-N 0 1 350.277 3.234 20 5 FGBDMN COc1cc(COC(=O)[C@H](C(C)C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000778807122 724363485 /nfs/dbraw/zinc/36/34/85/724363485.db2.gz JAVJUYDBFHOQDQ-KRWDZBQOSA-N 0 1 350.415 3.157 20 5 FGBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000809827379 725271544 /nfs/dbraw/zinc/27/15/44/725271544.db2.gz MORJXXINQOVGJY-ZETCQYMHSA-N 0 1 372.752 3.244 20 5 FGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000809949204 725277924 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CC(F)(F)CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000831682752 729660842 /nfs/dbraw/zinc/66/08/42/729660842.db2.gz AJDHAAOHNLAEJM-UHFFFAOYSA-N 0 1 360.741 3.101 20 5 FGBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000840671195 730161705 /nfs/dbraw/zinc/16/17/05/730161705.db2.gz OUVZWRFZFFCBSM-KNBVPPQFSA-N 0 1 372.164 3.313 20 5 FGBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000843763472 730652310 /nfs/dbraw/zinc/65/23/10/730652310.db2.gz KAXDRYTXQAMAKT-CQSZACIVSA-N 0 1 351.403 3.137 20 5 FGBDMN O=[N+]([O-])c1ccc(OC2CCN(CC3(Br)CC3)CC2)cc1 ZINC000846810446 730982931 /nfs/dbraw/zinc/98/29/31/730982931.db2.gz VYPOALQYFYABNJ-UHFFFAOYSA-N 0 1 355.232 3.366 20 5 FGBDMN C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000848951071 731222952 /nfs/dbraw/zinc/22/29/52/731222952.db2.gz SYVLXMOLAZKTLQ-VIFPVBQESA-N 0 1 364.741 3.138 20 5 FGBDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000848951070 731223056 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ZINC000901914622 743676271 /nfs/dbraw/zinc/67/62/71/743676271.db2.gz JNFNOLWPMSGRJN-SFHVURJKSA-N 0 1 350.390 3.497 20 5 FGBDMN CC(C)c1ccc(C[N@H+]2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901914622 743676288 /nfs/dbraw/zinc/67/62/88/743676288.db2.gz JNFNOLWPMSGRJN-SFHVURJKSA-N 0 1 350.390 3.497 20 5 FGBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000903611180 743861592 /nfs/dbraw/zinc/86/15/92/743861592.db2.gz ITGBQOBSMAPJAK-NHYWBVRUSA-N 0 1 358.316 3.300 20 5 FGBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901189 743894168 /nfs/dbraw/zinc/89/41/68/743894168.db2.gz CSQXRIGWSIKQMI-BFVZDQMLSA-N 0 1 369.215 3.042 20 5 FGBDMN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923270502 759093176 /nfs/dbraw/zinc/09/31/76/759093176.db2.gz ALQBCDBXFSNUCE-QWHCGFSZSA-N 0 1 369.874 3.035 20 5 FGBDMN CC1(C)C[C@@H](N2CCc3sc(CN)nc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000925749914 759530805 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3.210 20 5 FGBDMN Cc1ccc2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)n2c1 ZINC000064350403 494116452 /nfs/dbraw/zinc/11/64/52/494116452.db2.gz KESPPFUGCLLLFW-UHFFFAOYSA-N 0 1 366.421 3.322 20 5 FGBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1Br ZINC000040414073 494142017 /nfs/dbraw/zinc/14/20/17/494142017.db2.gz APQLFFYSFGNDOZ-UHFFFAOYSA-N 0 1 371.212 3.467 20 5 FGBDMN CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010085420 494142585 /nfs/dbraw/zinc/14/25/85/494142585.db2.gz DJBTXZGLKCSZHS-MRXNPFEDSA-N 0 1 371.462 3.321 20 5 FGBDMN CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012038873 494200836 /nfs/dbraw/zinc/20/08/36/494200836.db2.gz DXULMAXHKWOXAX-UHFFFAOYSA-N 0 1 369.406 3.135 20 5 FGBDMN COc1cc(CN2CC[C@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751342 494257894 /nfs/dbraw/zinc/25/78/94/494257894.db2.gz NVNNGEMKEBBUPC-HNNXBMFYSA-N 0 1 372.425 3.002 20 5 FGBDMN CC(C)OCc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078256295 494264250 /nfs/dbraw/zinc/26/42/50/494264250.db2.gz QPTFCRRCKLUEGJ-UHFFFAOYSA-N 0 1 368.393 3.326 20 5 FGBDMN Cc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000043148463 494270585 /nfs/dbraw/zinc/27/05/85/494270585.db2.gz QXSZHEIMPUCKEC-KRWDZBQOSA-N 0 1 360.389 3.467 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000073471982 494374197 /nfs/dbraw/zinc/37/41/97/494374197.db2.gz XVJTURVGZPTACT-UHFFFAOYSA-N 0 1 366.381 3.129 20 5 FGBDMN Cc1sc(C(=O)N=c2[nH]c3c(s2)C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000044742551 494378437 /nfs/dbraw/zinc/37/84/37/494378437.db2.gz DUIYJQVIVNHMPJ-UHFFFAOYSA-N 0 1 365.436 3.251 20 5 FGBDMN COC(=O)[C@H](C)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089892542 494394719 /nfs/dbraw/zinc/39/47/19/494394719.db2.gz CMLZGQUUMXOWEA-GFCCVEGCSA-N 0 1 359.382 3.023 20 5 FGBDMN Cc1c(NC(=O)[C@@H](C)N(C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000089922661 494402052 /nfs/dbraw/zinc/40/20/52/494402052.db2.gz PPRNDYPYXSTOHA-OAHLLOKOSA-N 0 1 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3.088 20 5 FGBDMN Cc1ccnc([C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000579489447 506187367 /nfs/dbraw/zinc/18/73/67/506187367.db2.gz UIYCPYHQBDMMPJ-AWEZNQCLSA-N 0 1 355.394 3.154 20 5 FGBDMN COc1ccc(CNc2ccc3c(c2)nc(C)n3[C@H](C)CO)cc1[N+](=O)[O-] ZINC000419772842 500396155 /nfs/dbraw/zinc/39/61/55/500396155.db2.gz ZGUKESRGQMHROE-GFCCVEGCSA-N 0 1 370.409 3.427 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428022249 500459267 /nfs/dbraw/zinc/45/92/67/500459267.db2.gz LSHVUGNSBBWGCS-OAHLLOKOSA-N 0 1 369.421 3.037 20 5 FGBDMN CSc1ccccc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443080302 500676820 /nfs/dbraw/zinc/67/68/20/500676820.db2.gz MCEPASMUSYUOEY-JTQLQIEISA-N 0 1 370.427 3.495 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438816291 500822703 /nfs/dbraw/zinc/82/27/03/500822703.db2.gz BPUGQOTZACZTKZ-UHFFFAOYSA-N 0 1 358.379 3.094 20 5 FGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438975190 500843096 /nfs/dbraw/zinc/84/30/96/500843096.db2.gz QAOXTBXOVUMQDA-FHGNATFXSA-N 0 1 366.377 3.154 20 5 FGBDMN CCOc1ccc2c(c1)CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000434441994 500843346 /nfs/dbraw/zinc/84/33/46/500843346.db2.gz UUBBCMRGAJKKFO-UHFFFAOYSA-N 0 1 358.398 3.039 20 5 FGBDMN CC[C@H]1CCCC[C@@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663230 500874808 /nfs/dbraw/zinc/87/48/08/500874808.db2.gz KETBIUAXAMRFSU-YOEHRIQHSA-N 0 1 354.472 3.269 20 5 FGBDMN CCCOc1ccc2c(c1)CCN(C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-])C2 ZINC000435708435 501015077 /nfs/dbraw/zinc/01/50/77/501015077.db2.gz ZFRRTYBDNGXHBO-UHFFFAOYSA-N 0 1 372.425 3.258 20 5 FGBDMN CC(C)[C@@H]1C[C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000449498698 501018908 /nfs/dbraw/zinc/01/89/08/501018908.db2.gz SILZGEFYSZWEOX-ZYSHUDEJSA-N 0 1 372.469 3.459 20 5 FGBDMN CCOc1cc(NCCc2cc(-c3ccncc3)[nH]n2)ccc1[N+](=O)[O-] ZINC000436425165 501125241 /nfs/dbraw/zinc/12/52/41/501125241.db2.gz NJMUYLQYDRSRRK-UHFFFAOYSA-N 0 1 353.382 3.433 20 5 FGBDMN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000441672966 501163864 /nfs/dbraw/zinc/16/38/64/501163864.db2.gz YLLXQGRFFZYFII-MRXNPFEDSA-N 0 1 363.414 3.163 20 5 FGBDMN Cc1ccc(NCCCNC(=O)c2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000436636241 501175306 /nfs/dbraw/zinc/17/53/06/501175306.db2.gz UPUTVASRQACASX-UHFFFAOYSA-N 0 1 363.801 3.494 20 5 FGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894010 501228517 /nfs/dbraw/zinc/22/85/17/501228517.db2.gz REQDPNROKMPTAF-LSDHHAIUSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894010 501228519 /nfs/dbraw/zinc/22/85/19/501228519.db2.gz REQDPNROKMPTAF-LSDHHAIUSA-N 0 1 369.421 3.035 20 5 FGBDMN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451236297 501253979 /nfs/dbraw/zinc/25/39/79/501253979.db2.gz NUJYERFNONUKFZ-SJORKVTESA-N 0 1 373.409 3.461 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451361868 501275207 /nfs/dbraw/zinc/27/52/07/501275207.db2.gz GZQWOUZWPQADPG-KWJIQHCISA-N 0 1 371.437 3.074 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)co2)cc1 ZINC000451497246 501306477 /nfs/dbraw/zinc/30/64/77/501306477.db2.gz VYTXUJJJNATYGT-ZACQAIPSSA-N 0 1 355.394 3.297 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@H]1C(F)F ZINC000451685117 501350090 /nfs/dbraw/zinc/35/00/90/501350090.db2.gz YXFYXRYGBDYYFZ-AWEZNQCLSA-N 0 1 350.325 3.245 20 5 FGBDMN O=C1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]2CCCCN12 ZINC000453631149 501366867 /nfs/dbraw/zinc/36/68/67/501366867.db2.gz OPTCVKUOPMAYBY-PBHICJAKSA-N 0 1 355.394 3.098 20 5 FGBDMN CC(=O)NCC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602662549 506250589 /nfs/dbraw/zinc/25/05/89/506250589.db2.gz OYKHGGAWAWDLBO-CYBMUJFWSA-N 0 1 373.375 3.352 20 5 FGBDMN CN(C)C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000602666757 506252509 /nfs/dbraw/zinc/25/25/09/506252509.db2.gz PERRCCXXYMELKJ-INIZCTEOSA-N 0 1 358.373 3.268 20 5 FGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456270538 501485229 /nfs/dbraw/zinc/48/52/29/501485229.db2.gz ZQCIZRVJLQRUFT-MAUKXSAKSA-N 0 1 352.394 3.246 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCN(c4ccccc4F)C3)nc2c1 ZINC000602670629 506256933 /nfs/dbraw/zinc/25/69/33/506256933.db2.gz AOKLOYDEPDWMQB-LBPRGKRZSA-N 0 1 356.357 3.244 20 5 FGBDMN CC[C@H](C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000454512621 501565359 /nfs/dbraw/zinc/56/53/59/501565359.db2.gz HKAQUDPEFWLOPY-NSHDSACASA-N 0 1 372.372 3.144 20 5 FGBDMN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000457062568 501643394 /nfs/dbraw/zinc/64/33/94/501643394.db2.gz ARUKYKXDCCSTPD-UHFFFAOYSA-N 0 1 373.375 3.013 20 5 FGBDMN COc1cc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000459565077 501677576 /nfs/dbraw/zinc/67/75/76/501677576.db2.gz RIBSTNWJRMXRDO-SFHVURJKSA-N 0 1 350.415 3.157 20 5 FGBDMN COc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000459797738 501715434 /nfs/dbraw/zinc/71/54/34/501715434.db2.gz TVEMUQLKYKPKFR-WMLDXEAASA-N 0 1 352.406 3.116 20 5 FGBDMN COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CC=CCC1 ZINC000485127786 501730754 /nfs/dbraw/zinc/73/07/54/501730754.db2.gz CNTHOHZYIGLCJO-MRXNPFEDSA-N 0 1 361.442 3.146 20 5 FGBDMN Cc1c(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481469477 501784802 /nfs/dbraw/zinc/78/48/02/501784802.db2.gz YHERINNMBUURMR-LJQANCHMSA-N 0 1 353.422 3.184 20 5 FGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000463973168 501868042 /nfs/dbraw/zinc/86/80/42/501868042.db2.gz SNIZPDMNAQWXEH-UHFFFAOYSA-N 0 1 368.437 3.391 20 5 FGBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000474969073 502007357 /nfs/dbraw/zinc/00/73/57/502007357.db2.gz UFKKFGNLCRKREL-GXTWGEPZSA-N 0 1 356.426 3.424 20 5 FGBDMN O=c1cc2c(n[nH]1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000482313027 502037696 /nfs/dbraw/zinc/03/76/96/502037696.db2.gz NBOFPEACGGHQLA-UHFFFAOYSA-N 0 1 368.418 3.377 20 5 FGBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccc(Cl)cc1 ZINC000464630346 502048579 /nfs/dbraw/zinc/04/85/79/502048579.db2.gz SCFXPTQRLKBWMZ-SNVBAGLBSA-N 0 1 374.784 3.322 20 5 FGBDMN CCS(=O)(=O)c1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000475223809 502104760 /nfs/dbraw/zinc/10/47/60/502104760.db2.gz JEUCSWFHRCCKKF-ALCCZGGFSA-N 0 1 366.464 3.253 20 5 FGBDMN Cc1sc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475318203 502133014 /nfs/dbraw/zinc/13/30/14/502133014.db2.gz PCOVVKXUQNOPOB-OAHLLOKOSA-N 0 1 359.451 3.311 20 5 FGBDMN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000596180909 506295771 /nfs/dbraw/zinc/29/57/71/506295771.db2.gz ZVAMSSNRWCABQR-WBVHZDCISA-N 0 1 374.828 3.204 20 5 FGBDMN CN1CC[C@@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486602552 502204901 /nfs/dbraw/zinc/20/49/01/502204901.db2.gz YSKXKLVXXIOUEL-FOIQADDNSA-N 0 1 365.433 3.356 20 5 FGBDMN Cc1ccc2nc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000479322814 502223900 /nfs/dbraw/zinc/22/39/00/502223900.db2.gz KSQNXZKINUCJPM-UHFFFAOYSA-N 0 1 353.382 3.087 20 5 FGBDMN C[C@@H](CC1CC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146432 502323808 /nfs/dbraw/zinc/32/38/08/502323808.db2.gz NMIVTORWMNHIRX-ZETCQYMHSA-N 0 1 353.227 3.369 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000472367485 502331484 /nfs/dbraw/zinc/33/14/84/502331484.db2.gz KSRVBNLOAAPPMT-HIFRSBDPSA-N 0 1 356.426 3.364 20 5 FGBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccs1 ZINC000462476943 502455439 /nfs/dbraw/zinc/45/54/39/502455439.db2.gz CNDBDDBHTIYNGS-UHFFFAOYSA-N 0 1 367.235 3.442 20 5 FGBDMN CCC(=O)c1ccc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000480055922 502459419 /nfs/dbraw/zinc/45/94/19/502459419.db2.gz DKGWVTMZJOFNBE-UHFFFAOYSA-N 0 1 363.458 3.489 20 5 FGBDMN Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592976106 506319042 /nfs/dbraw/zinc/31/90/42/506319042.db2.gz FQOUFHBOJWLYHB-INIZCTEOSA-N 0 1 369.421 3.312 20 5 FGBDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000473379203 502575326 /nfs/dbraw/zinc/57/53/26/502575326.db2.gz LDFNSLTXBFIJMO-OAHLLOKOSA-N 0 1 371.784 3.080 20 5 FGBDMN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000487981236 502589314 /nfs/dbraw/zinc/58/93/14/502589314.db2.gz YUTCEUXZKRBOOA-LBPRGKRZSA-N 0 1 366.377 3.485 20 5 FGBDMN Cc1c(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cccc1[N+](=O)[O-] ZINC000477025513 502652360 /nfs/dbraw/zinc/65/23/60/502652360.db2.gz TVSWGIOISPZXKT-CYBMUJFWSA-N 0 1 356.426 3.171 20 5 FGBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477046160 502659585 /nfs/dbraw/zinc/65/95/85/502659585.db2.gz FSJQNHBOVRLCPX-HNAYVOBHSA-N 0 1 361.442 3.123 20 5 FGBDMN 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ZINC000609733537 506984630 /nfs/dbraw/zinc/98/46/30/506984630.db2.gz GIGDKARCCGNRQS-UHFFFAOYSA-N 0 1 365.411 3.134 20 5 FGBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800758 507007570 /nfs/dbraw/zinc/00/75/70/507007570.db2.gz RQPZRDWEFNDFRJ-PKOBYXMFSA-N 0 1 374.462 3.125 20 5 FGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000600674020 507058226 /nfs/dbraw/zinc/05/82/26/507058226.db2.gz KGKKRWWUAABNKL-UHFFFAOYSA-N 0 1 374.368 3.476 20 5 FGBDMN COc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000613383406 507061488 /nfs/dbraw/zinc/06/14/88/507061488.db2.gz NLGDXXVRWKAXSJ-KBPBESRZSA-N 0 1 352.406 3.381 20 5 FGBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597858737 507137041 /nfs/dbraw/zinc/13/70/41/507137041.db2.gz OHEKBMHFVYVIFI-AWEZNQCLSA-N 0 1 374.466 3.321 20 5 FGBDMN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000610205638 507138459 /nfs/dbraw/zinc/13/84/59/507138459.db2.gz 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C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279321 507319789 /nfs/dbraw/zinc/31/97/89/507319789.db2.gz DSSSEWLGQBOILR-WMLDXEAASA-N 0 1 371.412 3.374 20 5 FGBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccnc(N2CCSCC2)c1 ZINC000601302342 507328444 /nfs/dbraw/zinc/32/84/44/507328444.db2.gz KKOTVFPXYVVYMH-KRWDZBQOSA-N 0 1 370.478 3.320 20 5 FGBDMN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610657381 507334441 /nfs/dbraw/zinc/33/44/41/507334441.db2.gz JLTTVUZKLMYGOG-UHFFFAOYSA-N 0 1 359.816 3.166 20 5 FGBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCO[C@@H]3CC3(F)F)cs2)c1 ZINC000594970923 507336868 /nfs/dbraw/zinc/33/68/68/507336868.db2.gz PLNYRNTXNFQUCO-CYBMUJFWSA-N 0 1 355.366 3.232 20 5 FGBDMN COc1cc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000594973349 507337368 /nfs/dbraw/zinc/33/73/68/507337368.db2.gz RFIURBCCBDIIEY-KOMQPUFPSA-N 0 1 358.394 3.312 20 5 FGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(N2CCOCC2)c1 ZINC000595037429 507363697 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FGBDMN CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595474627 507516655 /nfs/dbraw/zinc/51/66/55/507516655.db2.gz MUZOMEJMCUFXSC-OAHLLOKOSA-N 0 1 357.385 3.219 20 5 FGBDMN CN(C(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595474627 507516659 /nfs/dbraw/zinc/51/66/59/507516659.db2.gz MUZOMEJMCUFXSC-OAHLLOKOSA-N 0 1 357.385 3.219 20 5 FGBDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595519637 507541978 /nfs/dbraw/zinc/54/19/78/507541978.db2.gz AUYMFXGEAFXKJT-HNNXBMFYSA-N 0 1 372.425 3.183 20 5 FGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)Cc1ccccc1 ZINC000595593200 507579678 /nfs/dbraw/zinc/57/96/78/507579678.db2.gz SCPVRAPGTXCEMA-IBGZPJMESA-N 0 1 367.405 3.285 20 5 FGBDMN CCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCCO1 ZINC000611268901 507594023 /nfs/dbraw/zinc/59/40/23/507594023.db2.gz BCPXADKEKJQWQL-OAHLLOKOSA-N 0 1 350.415 3.147 20 5 FGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762232 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FGBDMN NC(=O)c1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C2CC2)c(F)c1 ZINC000428794928 500558090 /nfs/dbraw/zinc/55/80/90/500558090.db2.gz UZDFXEMZVKJDPW-UHFFFAOYSA-N 0 1 357.385 3.040 20 5 FGBDMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436964520 500580909 /nfs/dbraw/zinc/58/09/09/500580909.db2.gz GYWIMLBQIPJSLJ-LBPRGKRZSA-N 0 1 366.377 3.286 20 5 FGBDMN C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000442693967 500611885 /nfs/dbraw/zinc/61/18/85/500611885.db2.gz LILNOKKDYGSEGC-NSHDSACASA-N 0 1 369.406 3.355 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCN(C/C=C/c4ccccc4)CC3)nc2c1 ZINC000447687265 500646091 /nfs/dbraw/zinc/64/60/91/500646091.db2.gz CCFMTINSPAKZPN-QPJJXVBHSA-N 0 1 363.421 3.307 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000447693129 500647749 /nfs/dbraw/zinc/64/77/49/500647749.db2.gz BHIGESWTOHAQEC-LJQANCHMSA-N 0 1 356.426 3.383 20 5 FGBDMN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccn4cncc4c3)no2)cc1 ZINC000447951942 500695573 /nfs/dbraw/zinc/69/55/73/500695573.db2.gz NWAFMKRNOCHGMF-UHFFFAOYSA-N 0 1 357.276 3.433 20 5 FGBDMN O=[N+]([O-])c1ccc2[nH]c(CN=c3nc(-c4ccccc4)[nH]s3)nc2c1 ZINC000443960435 500783592 /nfs/dbraw/zinc/78/35/92/500783592.db2.gz OCSKRAYVAUDKTM-UHFFFAOYSA-N 0 1 352.379 3.024 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000438814502 500821884 /nfs/dbraw/zinc/82/18/84/500821884.db2.gz PHYWUDVXKIYNDD-UHFFFAOYSA-N 0 1 358.379 3.094 20 5 FGBDMN Cc1noc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c1[N+](=O)[O-] ZINC000596024059 506219849 /nfs/dbraw/zinc/21/98/49/506219849.db2.gz UPBPJTFXDXJXRS-UHFFFAOYSA-N 0 1 357.395 3.457 20 5 FGBDMN CN(CC1(c2ccccc2)CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444686924 500878721 /nfs/dbraw/zinc/87/87/21/500878721.db2.gz UKKJVJFHJMACRN-IBGZPJMESA-N 0 1 365.433 3.364 20 5 FGBDMN COC[C@H](Cc1ccccc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444712627 500884909 /nfs/dbraw/zinc/88/49/09/500884909.db2.gz WOVHFSQHZLSLLY-INIZCTEOSA-N 0 1 354.410 3.161 20 5 FGBDMN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000444757916 500893529 /nfs/dbraw/zinc/89/35/29/500893529.db2.gz GHUXMINWUJVSRY-SNVBAGLBSA-N 0 1 366.658 3.144 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CN3CCN(CCc4cccs4)CC3)nc2c1 ZINC000434839864 500900572 /nfs/dbraw/zinc/90/05/72/500900572.db2.gz QTLMOFJXANYGKM-UHFFFAOYSA-N 0 1 372.450 3.158 20 5 FGBDMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900569 500909619 /nfs/dbraw/zinc/90/96/19/500909619.db2.gz NVSOWJRBVFGONR-HNAYVOBHSA-N 0 1 365.433 3.362 20 5 FGBDMN C[C@@H]1CN(CCN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000435039739 500925384 /nfs/dbraw/zinc/92/53/84/500925384.db2.gz IMZPYEMEMXHHRN-IYBDPMFKSA-N 0 1 373.453 3.396 20 5 FGBDMN COc1cc(CN2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449493544 501016468 /nfs/dbraw/zinc/01/64/68/501016468.db2.gz FBAHNYXQQKKPED-GWCFXTLKSA-N 0 1 360.357 3.062 20 5 FGBDMN 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ZINC000436869677 501224729 /nfs/dbraw/zinc/22/47/29/501224729.db2.gz KDTHLUNVNAHFCE-HOCLYGCPSA-N 0 1 369.421 3.083 20 5 FGBDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102855 501245804 /nfs/dbraw/zinc/24/58/04/501245804.db2.gz FHSZHFBBYLIQMB-LSDHHAIUSA-N 0 1 371.437 3.474 20 5 FGBDMN CCN(C)C(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000451315816 501263401 /nfs/dbraw/zinc/26/34/01/501263401.db2.gz RRLITKSNBULBDA-AWEZNQCLSA-N 0 1 361.364 3.206 20 5 FGBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451367458 501276113 /nfs/dbraw/zinc/27/61/13/501276113.db2.gz KDYMHGVHPYMOBB-KUNIGPEISA-N 0 1 371.437 3.074 20 5 FGBDMN C[C@H]1C[C@H](c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCO1 ZINC000453144715 501278074 /nfs/dbraw/zinc/27/80/74/501278074.db2.gz HFTDEXCUZXKOPP-CMPLNLGQSA-N 0 1 355.354 3.317 20 5 FGBDMN CCS(=O)(=O)CCCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552722 501321426 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O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(-c4ccccc4)no3)C2)nc1 ZINC000440496381 501016289 /nfs/dbraw/zinc/01/62/89/501016289.db2.gz RVTOIRKMCQIRHR-OAHLLOKOSA-N 0 1 365.393 3.331 20 5 FGBDMN COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)CCN2C2CC2)c1 ZINC000450428528 501119518 /nfs/dbraw/zinc/11/95/18/501119518.db2.gz IKGVPEDFVQJLCW-WMZOPIPTSA-N 0 1 369.425 3.092 20 5 FGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CCN(c2ccccc2)CC1 ZINC000441399299 501133046 /nfs/dbraw/zinc/13/30/46/501133046.db2.gz JKWQJATWDQTCKZ-GOSISDBHSA-N 0 1 368.481 3.410 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@]3(CCO)CCOC3)o2)c(Cl)c1 ZINC000447063082 501199156 /nfs/dbraw/zinc/19/91/56/501199156.db2.gz IEDDMFDIQNQDGT-KRWDZBQOSA-N 0 1 366.801 3.139 20 5 FGBDMN Cc1cc(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450878878 501222925 /nfs/dbraw/zinc/22/29/25/501222925.db2.gz JUARJGRQJMUBHF-BMIGLBTASA-N 0 1 355.316 3.201 20 5 FGBDMN Cc1cc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000451060348 501242628 /nfs/dbraw/zinc/24/26/28/501242628.db2.gz JOAGXTUCIDXEEJ-CQSZACIVSA-N 0 1 362.407 3.208 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)co2)cc1 ZINC000451704765 501355834 /nfs/dbraw/zinc/35/58/34/501355834.db2.gz XQXQKXCTOUQPDN-VKJFTORMSA-N 0 1 357.410 3.233 20 5 FGBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000451730800 501362062 /nfs/dbraw/zinc/36/20/62/501362062.db2.gz CBMXOWGNIGRDLB-SJORKVTESA-N 0 1 364.833 3.033 20 5 FGBDMN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCCN12 ZINC000453619534 501363539 /nfs/dbraw/zinc/36/35/39/501363539.db2.gz HVBCGRMLZZPHPA-NVXWUHKLSA-N 0 1 355.394 3.098 20 5 FGBDMN O=C([C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000602662924 506251515 /nfs/dbraw/zinc/25/15/15/506251515.db2.gz CAPNHMPVHBIALV-ZDUSSCGKSA-N 0 1 371.359 3.058 20 5 FGBDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000452726022 501551715 /nfs/dbraw/zinc/55/17/15/501551715.db2.gz FMZSKZISUUWQTN-UHFFFAOYSA-N 0 1 369.421 3.085 20 5 FGBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000474351542 501801951 /nfs/dbraw/zinc/80/19/51/501801951.db2.gz NGFOMVRRJHBYEB-MRXNPFEDSA-N 0 1 374.368 3.063 20 5 FGBDMN COC(=O)COc1ccc(CN[C@H](C)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000474358344 501804265 /nfs/dbraw/zinc/80/42/65/501804265.db2.gz UTUYPPHGAVYSPI-CYBMUJFWSA-N 0 1 374.393 3.006 20 5 FGBDMN COc1cc(OCC(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000474442904 501838726 /nfs/dbraw/zinc/83/87/26/501838726.db2.gz AIACZRUBYCBXRA-UHFFFAOYSA-N 0 1 370.720 3.119 20 5 FGBDMN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000467843128 501889684 /nfs/dbraw/zinc/88/96/84/501889684.db2.gz UZALTVONXBWMQL-MRXNPFEDSA-N 0 1 355.438 3.278 20 5 FGBDMN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000599019022 506280690 /nfs/dbraw/zinc/28/06/90/506280690.db2.gz ASNPFBCTWXYYEI-DOTOQJQBSA-N 0 1 370.365 3.166 20 5 FGBDMN CSc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485750786 501924530 /nfs/dbraw/zinc/92/45/30/501924530.db2.gz COSLENDAKWEUDQ-HNNXBMFYSA-N 0 1 371.462 3.321 20 5 FGBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CF)c3ccc(F)cc3)CC2)cn1 ZINC000602750489 506283652 /nfs/dbraw/zinc/28/36/52/506283652.db2.gz IPRXVJCWRSVUDE-QGZVFWFLSA-N 0 1 362.380 3.398 20 5 FGBDMN COc1cccc(N2C[C@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000482030073 501952786 /nfs/dbraw/zinc/95/27/86/501952786.db2.gz JGEIKEBFAQLGHE-GOEBONIOSA-N 0 1 369.421 3.368 20 5 FGBDMN Cc1c(CNC(=O)NC[C@@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000478470021 501992685 /nfs/dbraw/zinc/99/26/85/501992685.db2.gz CIYYBPUMGPJLEV-HNNXBMFYSA-N 0 1 362.455 3.067 20 5 FGBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)cc1C ZINC000478710252 502065382 /nfs/dbraw/zinc/06/53/82/502065382.db2.gz LGXMEMJTPKBWKO-UHFFFAOYSA-N 0 1 350.396 3.329 20 5 FGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c[nH]nc2cc1C ZINC000479117641 502168940 /nfs/dbraw/zinc/16/89/40/502168940.db2.gz BSJXCBFMIFXCIG-UHFFFAOYSA-N 0 1 360.395 3.143 20 5 FGBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]c2ccccc2c1=O ZINC000482910749 502214261 /nfs/dbraw/zinc/21/42/61/502214261.db2.gz JZBCQROTTSTNSI-UHFFFAOYSA-N 0 1 371.780 3.062 20 5 FGBDMN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472318305 502313375 /nfs/dbraw/zinc/31/33/75/502313375.db2.gz SHSUWWHMYXSYDG-DOTOQJQBSA-N 0 1 353.422 3.486 20 5 FGBDMN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475889359 502321828 /nfs/dbraw/zinc/32/18/28/502321828.db2.gz RFFNCWRZRRACGA-UHFFFAOYSA-N 0 1 371.393 3.471 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000472367489 502330804 /nfs/dbraw/zinc/33/08/04/502330804.db2.gz KSRVBNLOAAPPMT-ZFWWWQNUSA-N 0 1 356.426 3.364 20 5 FGBDMN CCOc1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599075725 506311582 /nfs/dbraw/zinc/31/15/82/506311582.db2.gz YXFKMIFXPLOOPD-LRDDRELGSA-N 0 1 355.394 3.208 20 5 FGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)CCc2ccccc2)c2cccnc21 ZINC000462372675 502412029 /nfs/dbraw/zinc/41/20/29/502412029.db2.gz YAPBRHLVANTCOR-UHFFFAOYSA-N 0 1 357.391 3.127 20 5 FGBDMN COc1ccc2c(c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000480197749 502499431 /nfs/dbraw/zinc/49/94/31/502499431.db2.gz PQSYGWSQQANRHO-UHFFFAOYSA-N 0 1 362.407 3.201 20 5 FGBDMN Cc1cc(C)cc(C[C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000462718228 502547187 /nfs/dbraw/zinc/54/71/87/502547187.db2.gz JKPRYVIISCNKMV-CYBMUJFWSA-N 0 1 366.414 3.260 20 5 FGBDMN O=C(NC[C@H]1SCCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000487877568 502554801 /nfs/dbraw/zinc/55/48/01/502554801.db2.gz OHJUOPGOONOJTM-MRXNPFEDSA-N 0 1 368.418 3.232 20 5 FGBDMN CCC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000473428040 502591332 /nfs/dbraw/zinc/59/13/32/502591332.db2.gz PPLXQVWZQWXEHM-UHFFFAOYSA-N 0 1 365.349 3.225 20 5 FGBDMN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000473516585 502618699 /nfs/dbraw/zinc/61/86/99/502618699.db2.gz CUHREJHDDUWIQZ-MRXNPFEDSA-N 0 1 358.394 3.068 20 5 FGBDMN CCCCO[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058897 502664862 /nfs/dbraw/zinc/66/48/62/502664862.db2.gz QOCCPMSSXIGYSV-IAGOWNOFSA-N 0 1 363.458 3.109 20 5 FGBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(SC)c2)cc1[N+](=O)[O-] ZINC000488264689 502673078 /nfs/dbraw/zinc/67/30/78/502673078.db2.gz KJVAOHJYSQYISA-UHFFFAOYSA-N 0 1 372.399 3.265 20 5 FGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000470181928 502698822 /nfs/dbraw/zinc/69/88/22/502698822.db2.gz HISWWEDUZHIABE-BXBHGGAKSA-N 0 1 359.470 3.482 20 5 FGBDMN COCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[C@@H](C)C1 ZINC000484897005 502768641 /nfs/dbraw/zinc/76/86/41/502768641.db2.gz ZVCOJDMPETUMCQ-CJNGLKHVSA-N 0 1 360.414 3.282 20 5 FGBDMN CCOC(=O)c1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000488956127 502846778 /nfs/dbraw/zinc/84/67/78/502846778.db2.gz OTFKMKJLYXNLJA-UHFFFAOYSA-N 0 1 372.312 3.039 20 5 FGBDMN CC[C@H]1Cc2ccccc2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000505166429 502862744 /nfs/dbraw/zinc/86/27/44/502862744.db2.gz TVBMCOIXZPAIQI-AWEZNQCLSA-N 0 1 350.378 3.448 20 5 FGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000489085912 502876365 /nfs/dbraw/zinc/87/63/65/502876365.db2.gz ANIKJSKWYFQUHG-CABCVRRESA-N 0 1 372.425 3.198 20 5 FGBDMN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC000513240353 502887570 /nfs/dbraw/zinc/88/75/70/502887570.db2.gz AAVOYJUYFKPYAD-UHFFFAOYSA-N 0 1 363.458 3.087 20 5 FGBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCCN12 ZINC000509415246 502896346 /nfs/dbraw/zinc/89/63/46/502896346.db2.gz JRHGFYMMYMSTPI-DLBZAZTESA-N 0 1 355.394 3.098 20 5 FGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(SC)c2[N+](=O)[O-])n[nH]1 ZINC000489206563 502901155 /nfs/dbraw/zinc/90/11/55/502901155.db2.gz VTKRNFZKYYTZDZ-NXEZZACHSA-N 0 1 363.443 3.439 20 5 FGBDMN COc1ccc(CN[C@@H](Cc2ccccn2)c2cccnc2)cc1[N+](=O)[O-] ZINC000513342751 502910022 /nfs/dbraw/zinc/91/00/22/502910022.db2.gz JGXKJQIPQJLJNX-SFHVURJKSA-N 0 1 364.405 3.467 20 5 FGBDMN Cc1cc([C@H]2CCCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]n1 ZINC000509521324 502924808 /nfs/dbraw/zinc/92/48/08/502924808.db2.gz GCTBGTQULUZSSG-ZDUSSCGKSA-N 0 1 354.370 3.060 20 5 FGBDMN CCCN1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000509692129 502968785 /nfs/dbraw/zinc/96/87/85/502968785.db2.gz HJBDZYGUSHZWRB-UHFFFAOYSA-N 0 1 368.306 3.176 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000505736247 502975688 /nfs/dbraw/zinc/97/56/88/502975688.db2.gz NNUABSBZYMJTQH-HNNXBMFYSA-N 0 1 362.407 3.183 20 5 FGBDMN CC(C)CCSc1ccc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000497712406 503022295 /nfs/dbraw/zinc/02/22/95/503022295.db2.gz GOMRVCYCHCEVEC-UHFFFAOYSA-N 0 1 351.472 3.119 20 5 FGBDMN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506211763 503070796 /nfs/dbraw/zinc/07/07/96/503070796.db2.gz UPWOWWDBORVQPW-NSHDSACASA-N 0 1 354.366 3.161 20 5 FGBDMN O=C(c1ccccc1)N1CC[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000514079777 503082569 /nfs/dbraw/zinc/08/25/69/503082569.db2.gz JKGSFHFBPJDSAR-MRXNPFEDSA-N 0 1 365.433 3.115 20 5 FGBDMN COC(=O)c1c(Cl)c(NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309772 506351151 /nfs/dbraw/zinc/35/11/51/506351151.db2.gz WHHLQGHLJQGPDZ-SNVBAGLBSA-N 0 1 355.822 3.320 20 5 FGBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000514490329 503131061 /nfs/dbraw/zinc/13/10/61/503131061.db2.gz BQYKSPBMTSNEJI-UHFFFAOYSA-N 0 1 369.786 3.007 20 5 FGBDMN O=[N+]([O-])c1cccc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c1 ZINC000502443955 503201039 /nfs/dbraw/zinc/20/10/39/503201039.db2.gz GVYINAHQZRANCU-UHFFFAOYSA-N 0 1 370.390 3.443 20 5 FGBDMN C[C@H](CSc1ccccc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593046948 506357929 /nfs/dbraw/zinc/35/79/29/506357929.db2.gz VGFGMWBKVOJTNG-CYBMUJFWSA-N 0 1 359.451 3.306 20 5 FGBDMN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507092629 503229165 /nfs/dbraw/zinc/22/91/65/503229165.db2.gz BSKPTSYXCWZDGE-SFHVURJKSA-N 0 1 367.336 3.354 20 5 FGBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000511098149 503253772 /nfs/dbraw/zinc/25/37/72/503253772.db2.gz ZSWBEKVDRLDWIL-LJQANCHMSA-N 0 1 371.412 3.404 20 5 FGBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491204618 503285844 /nfs/dbraw/zinc/28/58/44/503285844.db2.gz BIWUNEKZMREAMW-HIFRSBDPSA-N 0 1 351.422 3.251 20 5 FGBDMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1[N+](=O)[O-] ZINC000515635704 503377377 /nfs/dbraw/zinc/37/73/77/503377377.db2.gz OUJWUXSRWOCEBU-UHFFFAOYSA-N 0 1 366.395 3.191 20 5 FGBDMN CCOc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492772060 503384593 /nfs/dbraw/zinc/38/45/93/503384593.db2.gz NFYJOKSFEZMDAO-LJQANCHMSA-N 0 1 355.438 3.482 20 5 FGBDMN COc1cc(O)cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000504059348 503516087 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FGBDMN CCOc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000181243961 496326149 /nfs/dbraw/zinc/32/61/49/496326149.db2.gz XTCCUJSDUFCZFD-CYBMUJFWSA-N 0 1 357.414 3.373 20 5 FGBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000574715492 505838714 /nfs/dbraw/zinc/83/87/14/505838714.db2.gz WDRWSHIDPNKXLQ-LBPRGKRZSA-N 0 1 359.430 3.074 20 5 FGBDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407491 496377497 /nfs/dbraw/zinc/37/74/97/496377497.db2.gz PDCDICYVOUMRRI-HWRSSNJWSA-N 0 1 362.451 3.404 20 5 FGBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COCc2cccs2)C2CC2)c1 ZINC000153333475 496422597 /nfs/dbraw/zinc/42/25/97/496422597.db2.gz WWWCXAZTGWREPW-KRWDZBQOSA-N 0 1 362.451 3.198 20 5 FGBDMN COc1cccc(-c2cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])[nH]n2)c1 ZINC000178404027 496442970 /nfs/dbraw/zinc/44/29/70/496442970.db2.gz QRAIDJNWCTXRCQ-UHFFFAOYSA-N 0 1 364.361 3.196 20 5 FGBDMN Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000163220509 496483231 /nfs/dbraw/zinc/48/32/31/496483231.db2.gz UBDHGHBGHSAFMQ-UHFFFAOYSA-N 0 1 370.390 3.161 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000181791233 496546531 /nfs/dbraw/zinc/54/65/31/496546531.db2.gz UWNZFECRBRXERH-LBPRGKRZSA-N 0 1 370.331 3.092 20 5 FGBDMN Cc1ccc([C@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000181808620 496554079 /nfs/dbraw/zinc/55/40/79/496554079.db2.gz ODFDPXZAOKEYLN-WMLDXEAASA-N 0 1 369.421 3.194 20 5 FGBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000181833005 496564714 /nfs/dbraw/zinc/56/47/14/496564714.db2.gz ZSCUCJXGCKMNMI-GFCCVEGCSA-N 0 1 363.364 3.148 20 5 FGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000178868680 496599985 /nfs/dbraw/zinc/59/99/85/496599985.db2.gz NSRJYAABGKSBBE-IBGZPJMESA-N 0 1 359.401 3.344 20 5 FGBDMN CCOc1ccc([C@H](C)NCc2ccccc2OCCO)cc1[N+](=O)[O-] ZINC000153958916 496635968 /nfs/dbraw/zinc/63/59/68/496635968.db2.gz XXLJDKYPGQIPEL-AWEZNQCLSA-N 0 1 360.410 3.215 20 5 FGBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000182070738 496657936 /nfs/dbraw/zinc/65/79/36/496657936.db2.gz OVBZDFOSTLVTQP-QGZVFWFLSA-N 0 1 369.421 3.037 20 5 FGBDMN Cc1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000158398469 496693999 /nfs/dbraw/zinc/69/39/99/496693999.db2.gz PGAUZOLOXCVAJX-WCQYABFASA-N 0 1 359.348 3.107 20 5 FGBDMN Cc1nc(CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000176151374 496705081 /nfs/dbraw/zinc/70/50/81/496705081.db2.gz NXFDSTDLDGYWOP-UHFFFAOYSA-N 0 1 372.410 3.106 20 5 FGBDMN CCc1[nH]nc(C(=O)N(Cc2ccco2)Cc2cccs2)c1[N+](=O)[O-] ZINC000188167576 496706988 /nfs/dbraw/zinc/70/69/88/496706988.db2.gz AQTXKGNEWOQXAU-UHFFFAOYSA-N 0 1 360.395 3.377 20 5 FGBDMN Cc1cnc([C@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185308878 496727510 /nfs/dbraw/zinc/72/75/10/496727510.db2.gz BTTGPTFAABMNKM-MRXNPFEDSA-N 0 1 360.439 3.429 20 5 FGBDMN Cc1c([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000247036203 496758991 /nfs/dbraw/zinc/75/89/91/496758991.db2.gz MLBQOQSQOAWEGJ-HOCLYGCPSA-N 0 1 370.453 3.374 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000269361879 496929916 /nfs/dbraw/zinc/92/99/16/496929916.db2.gz JTGQTFOVIIHRNJ-UHFFFAOYSA-N 0 1 358.398 3.167 20 5 FGBDMN C[C@@H]1CN(Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000195509215 496946264 /nfs/dbraw/zinc/94/62/64/496946264.db2.gz HWLXYAOQNYZCLH-CHWSQXEVSA-N 0 1 362.455 3.273 20 5 FGBDMN C[C@@H]1CN(Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000195509211 496946364 /nfs/dbraw/zinc/94/63/64/496946364.db2.gz HWLXYAOQNYZCLH-BETUJISGSA-N 0 1 362.455 3.273 20 5 FGBDMN CN(C)Cc1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000273932687 496963016 /nfs/dbraw/zinc/96/30/16/496963016.db2.gz RURBWVKXDMNFTF-UHFFFAOYSA-N 0 1 360.389 3.107 20 5 FGBDMN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000189086895 497003549 /nfs/dbraw/zinc/00/35/49/497003549.db2.gz VFHKTKRKKOEIFW-DNVCBOLYSA-N 0 1 353.422 3.355 20 5 FGBDMN CCCCNC(=O)c1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000236799219 497147909 /nfs/dbraw/zinc/14/79/09/497147909.db2.gz KGYUHRUEGFOOCZ-UHFFFAOYSA-N 0 1 371.437 3.423 20 5 FGBDMN COc1cc(NC2CCN(Cc3ccccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270601834 497157418 /nfs/dbraw/zinc/15/74/18/497157418.db2.gz YCEFNRPVPDZZRT-UHFFFAOYSA-N 0 1 360.389 3.214 20 5 FGBDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000270725536 497188875 /nfs/dbraw/zinc/18/88/75/497188875.db2.gz XLZINYOANOMZGE-SECBINFHSA-N 0 1 366.809 3.050 20 5 FGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000275014843 497218362 /nfs/dbraw/zinc/21/83/62/497218362.db2.gz YUGMVRYOAWEXAW-PBHICJAKSA-N 0 1 374.393 3.402 20 5 FGBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])s3)C1)CCCC2 ZINC000275401965 497314381 /nfs/dbraw/zinc/31/43/81/497314381.db2.gz RTOXDKCHONOTST-GFCCVEGCSA-N 0 1 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ZINC000261835262 497459265 /nfs/dbraw/zinc/45/92/65/497459265.db2.gz RNZYHNQXZMXXTO-UHFFFAOYSA-N 0 1 364.427 3.148 20 5 FGBDMN CSc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000272037322 497519532 /nfs/dbraw/zinc/51/95/32/497519532.db2.gz CBEHRXXIGIDSAS-UHFFFAOYSA-N 0 1 360.439 3.368 20 5 FGBDMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245731408 497519652 /nfs/dbraw/zinc/51/96/52/497519652.db2.gz ITLHOLFHXHCONB-LIRRHRJNSA-N 0 1 368.437 3.218 20 5 FGBDMN COc1ccc(CN[C@@H]2CCc3cc(OC)c(OC)cc32)cc1[N+](=O)[O-] ZINC000279923506 497590246 /nfs/dbraw/zinc/59/02/46/497590246.db2.gz AGKYFVWFHFRUMY-OAHLLOKOSA-N 0 1 358.394 3.398 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272329297 497598386 /nfs/dbraw/zinc/59/83/86/497598386.db2.gz MSZFMZYIEZPGDX-WQVCFCJDSA-N 0 1 374.441 3.435 20 5 FGBDMN CCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000272517603 497649045 /nfs/dbraw/zinc/64/90/45/497649045.db2.gz 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CCNC(=O)C[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000284959991 497954382 /nfs/dbraw/zinc/95/43/82/497954382.db2.gz XGDMAASNHCCYBG-KRWDZBQOSA-N 0 1 372.425 3.131 20 5 FGBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301130043 497965203 /nfs/dbraw/zinc/96/52/03/497965203.db2.gz ZOVUMWGWKDWSNK-KRWDZBQOSA-N 0 1 372.425 3.187 20 5 FGBDMN CC(C)S(=O)(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289222263 498065988 /nfs/dbraw/zinc/06/59/88/498065988.db2.gz AAAAUSHLECKEPQ-UHFFFAOYSA-N 0 1 368.480 3.236 20 5 FGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000301492198 498133117 /nfs/dbraw/zinc/13/31/17/498133117.db2.gz DLIGCESYYOPHHG-UHFFFAOYSA-N 0 1 369.830 3.423 20 5 FGBDMN Cc1nc([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000301645403 498203268 /nfs/dbraw/zinc/20/32/68/498203268.db2.gz HSLXMXWHNNFFKX-SNVBAGLBSA-N 0 1 355.320 3.424 20 5 FGBDMN Cc1nnc([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000301645403 498203275 /nfs/dbraw/zinc/20/32/75/498203275.db2.gz HSLXMXWHNNFFKX-SNVBAGLBSA-N 0 1 355.320 3.424 20 5 FGBDMN Cc1ncc(CN2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000364922089 498210708 /nfs/dbraw/zinc/21/07/08/498210708.db2.gz FNZNIRACICIBRU-SWLSCSKDSA-N 0 1 361.471 3.386 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000281877609 498302781 /nfs/dbraw/zinc/30/27/81/498302781.db2.gz FYTHYIJPOSIHNK-SNVBAGLBSA-N 0 1 362.390 3.118 20 5 FGBDMN COc1ccc(Cl)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365126117 498309172 /nfs/dbraw/zinc/30/91/72/498309172.db2.gz RNZOVWLMSIBEPS-UHFFFAOYSA-N 0 1 350.806 3.290 20 5 FGBDMN Cc1cc([C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)[nH]n1 ZINC000282145455 498398942 /nfs/dbraw/zinc/39/89/42/498398942.db2.gz BGQHHVZANQPKLL-SNVBAGLBSA-N 0 1 366.219 3.168 20 5 FGBDMN C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293577517 498416940 /nfs/dbraw/zinc/41/69/40/498416940.db2.gz DTGRSEZPJAJFIK-RDTXWAMCSA-N 0 1 368.437 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498677102 /nfs/dbraw/zinc/67/71/02/498677102.db2.gz GLQGQTXIBBEESD-UHFFFAOYSA-N 0 1 371.412 3.437 20 5 FGBDMN COc1ccc(NC(=O)CN(C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303730307 498709958 /nfs/dbraw/zinc/70/99/58/498709958.db2.gz DPAAPYQMIFCJFF-HNNXBMFYSA-N 0 1 371.437 3.413 20 5 FGBDMN COc1ccc(-c2cc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)[nH]n2)cc1 ZINC000291105877 498797520 /nfs/dbraw/zinc/79/75/20/498797520.db2.gz SCWWRCBCWUEXTB-UHFFFAOYSA-N 0 1 357.370 3.123 20 5 FGBDMN CCN(CC)[C@H](c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)c1ccccc1 ZINC000573016798 506099883 /nfs/dbraw/zinc/09/98/83/506099883.db2.gz FGRYUNWUUUTYTK-AWEZNQCLSA-N 0 1 370.413 3.118 20 5 FGBDMN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccsc1 ZINC000298691880 498851423 /nfs/dbraw/zinc/85/14/23/498851423.db2.gz DEOYPBNBZIRZMJ-MRXNPFEDSA-N 0 1 360.439 3.256 20 5 FGBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000363608772 498902110 /nfs/dbraw/zinc/90/21/10/498902110.db2.gz 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CC(C)c1ccc(CN2CCC(NC(=O)c3ccc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000371421648 499324965 /nfs/dbraw/zinc/32/49/65/499324965.db2.gz XPLUXPBQDYJQPU-UHFFFAOYSA-N 0 1 370.453 3.441 20 5 FGBDMN Cc1ncc(CN2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369592237 499423866 /nfs/dbraw/zinc/42/38/66/499423866.db2.gz QDYQOVSAUOUJBR-IUODEOHRSA-N 0 1 361.471 3.386 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000373055725 499449171 /nfs/dbraw/zinc/44/91/71/499449171.db2.gz GCGVSTRDVRKYIO-ZDUSSCGKSA-N 0 1 369.381 3.389 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375464267 499522033 /nfs/dbraw/zinc/52/20/33/499522033.db2.gz CGCRHBMJEWKHTK-UHFFFAOYSA-N 0 1 373.413 3.437 20 5 FGBDMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000398040228 499566060 /nfs/dbraw/zinc/56/60/60/499566060.db2.gz OXQWJFRAAGEJSI-INIZCTEOSA-N 0 1 372.425 3.257 20 5 FGBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000410401389 499660572 /nfs/dbraw/zinc/66/05/72/499660572.db2.gz FSRXCTKGNKUKFT-UHFFFAOYSA-N 0 1 354.359 3.242 20 5 FGBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377817532 499738147 /nfs/dbraw/zinc/73/81/47/499738147.db2.gz UUWKGMMSLFARCS-SECBINFHSA-N 0 1 369.303 3.016 20 5 FGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000378057896 499756523 /nfs/dbraw/zinc/75/65/23/499756523.db2.gz UASVKBXFNUUCIM-UHFFFAOYSA-N 0 1 372.331 3.064 20 5 FGBDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000421166130 499979454 /nfs/dbraw/zinc/97/94/54/499979454.db2.gz OVYDBLXTDGGTIG-CQSZACIVSA-N 0 1 373.475 3.218 20 5 FGBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CS1 ZINC000416596362 500069389 /nfs/dbraw/zinc/06/93/89/500069389.db2.gz RRYCXRIYRJJHEY-POYBYMJQSA-N 0 1 371.267 3.074 20 5 FGBDMN COC(=O)[C@@H](C)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425394292 500093038 /nfs/dbraw/zinc/09/30/38/500093038.db2.gz KJTKQACTHXMUMK-JTQLQIEISA-N 0 1 371.231 3.131 20 5 FGBDMN COc1cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000429544334 500098092 /nfs/dbraw/zinc/09/80/92/500098092.db2.gz BQQMFAVPTZMDPL-INIZCTEOSA-N 0 1 368.393 3.368 20 5 FGBDMN COc1ccc(-c2cc(N(C)Cc3cc(O)ccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000429685170 500123187 /nfs/dbraw/zinc/12/31/87/500123187.db2.gz VRIAQTOACPTFTE-UHFFFAOYSA-N 0 1 354.366 3.336 20 5 FGBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000421739419 500136342 /nfs/dbraw/zinc/13/63/42/500136342.db2.gz BHPOWDLXHLTCCM-GOSISDBHSA-N 0 1 359.401 3.383 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1[N+](=O)[O-] ZINC000428038183 500461621 /nfs/dbraw/zinc/46/16/21/500461621.db2.gz XEBAMQAYCQOGEL-UHFFFAOYSA-N 0 1 373.800 3.144 20 5 FGBDMN Cc1ccccc1-n1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000570599973 506202239 /nfs/dbraw/zinc/20/22/39/506202239.db2.gz ZBNGRFJUAMYKCY-UHFFFAOYSA-N 0 1 371.828 3.470 20 5 FGBDMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436961328 500579857 /nfs/dbraw/zinc/57/98/57/500579857.db2.gz GUKHOJGUXJANPG-HUUCEWRRSA-N 0 1 369.421 3.035 20 5 FGBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436961328 500579859 /nfs/dbraw/zinc/57/98/59/500579859.db2.gz GUKHOJGUXJANPG-HUUCEWRRSA-N 0 1 369.421 3.035 20 5 FGBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000570613639 506205252 /nfs/dbraw/zinc/20/52/52/506205252.db2.gz KIUZVQTYKIUTJO-ZDUSSCGKSA-N 0 1 374.788 3.215 20 5 FGBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433000148 500604477 /nfs/dbraw/zinc/60/44/77/500604477.db2.gz VMQKKJSWWPWMFO-UHFFFAOYSA-N 0 1 361.155 3.486 20 5 FGBDMN COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528237 506208099 /nfs/dbraw/zinc/20/80/99/506208099.db2.gz YFVZZBPVFWVCSY-APWZRJJASA-N 0 1 359.401 3.278 20 5 FGBDMN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccn4cncc4c3)no2)n1 ZINC000447959383 500696701 /nfs/dbraw/zinc/69/67/01/500696701.db2.gz OWUJMKAARZFPMP-UHFFFAOYSA-N 0 1 373.332 3.145 20 5 FGBDMN C[C@H](C(=O)Nc1cccc(-c2cn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000443682312 500755589 /nfs/dbraw/zinc/75/55/89/500755589.db2.gz NXYQOYLNTVTHQE-JTQLQIEISA-N 0 1 355.329 3.261 20 5 FGBDMN Cc1ccc(-c2n[nH]c(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C)o1 ZINC000434503869 500852896 /nfs/dbraw/zinc/85/28/96/500852896.db2.gz RCABKQIJZABZIA-UHFFFAOYSA-N 0 1 369.381 3.270 20 5 FGBDMN COCC[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000434545054 500859061 /nfs/dbraw/zinc/85/90/61/500859061.db2.gz RMHNPIAJNNRDSA-LBPRGKRZSA-N 0 1 361.364 3.161 20 5 FGBDMN Cc1ccccc1[C@H](CC(F)(F)F)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000444775804 500897286 /nfs/dbraw/zinc/89/72/86/500897286.db2.gz OCJACNMGRVNFSY-HNNXBMFYSA-N 0 1 369.343 3.348 20 5 FGBDMN Cc1cc(N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000435589901 500996853 /nfs/dbraw/zinc/99/68/53/500996853.db2.gz VPGLELQSMHZMCS-CABCVRRESA-N 0 1 368.437 3.076 20 5 FGBDMN Cc1ccc(Sc2ccc(CN[C@H]3CCCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000449437842 501003224 /nfs/dbraw/zinc/00/32/24/501003224.db2.gz NMMRIJJSSMNJPB-INIZCTEOSA-N 0 1 371.462 3.423 20 5 FGBDMN CN(C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC000445584240 501006014 /nfs/dbraw/zinc/00/60/14/501006014.db2.gz RIJFWLQKTYMEAO-INIZCTEOSA-N 0 1 374.466 3.027 20 5 FGBDMN COc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000435720355 501017483 /nfs/dbraw/zinc/01/74/83/501017483.db2.gz XDVRNEIWDVWXGT-UHFFFAOYSA-N 0 1 350.396 3.329 20 5 FGBDMN CN(C)C(=O)c1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449495118 501017600 /nfs/dbraw/zinc/01/76/00/501017600.db2.gz CDDRSXKXUBRADS-OAHLLOKOSA-N 0 1 356.426 3.004 20 5 FGBDMN Cc1cc(NCc2cccc(N3CCC3=O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000440550269 501021951 /nfs/dbraw/zinc/02/19/51/501021951.db2.gz RLPBOUXEFDRBPV-UHFFFAOYSA-N 0 1 362.389 3.222 20 5 FGBDMN CC(C)c1ccc(CN2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596057192 506230939 /nfs/dbraw/zinc/23/09/39/506230939.db2.gz KDDCTIJFCJBCOR-UHFFFAOYSA-N 0 1 356.426 3.141 20 5 FGBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000449659136 501052610 /nfs/dbraw/zinc/05/26/10/501052610.db2.gz VCCSNZICGPPFNO-BRWVUGGUSA-N 0 1 362.405 3.217 20 5 FGBDMN O=C(CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000450573079 501157693 /nfs/dbraw/zinc/15/76/93/501157693.db2.gz VZXPRHKQXSUPIF-INIZCTEOSA-N 0 1 354.410 3.139 20 5 FGBDMN O=C(CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000450573079 501157695 /nfs/dbraw/zinc/15/76/95/501157695.db2.gz VZXPRHKQXSUPIF-INIZCTEOSA-N 0 1 354.410 3.139 20 5 FGBDMN Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)c1C ZINC000436642196 501176480 /nfs/dbraw/zinc/17/64/80/501176480.db2.gz RSDHSZQKHHNMDB-UHFFFAOYSA-N 0 1 352.350 3.355 20 5 FGBDMN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)N1CCCCC1 ZINC000450266739 501222167 /nfs/dbraw/zinc/22/21/67/501222167.db2.gz SWIFLHKKOCASJD-QGZVFWFLSA-N 0 1 371.441 3.341 20 5 FGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451020486 501239667 /nfs/dbraw/zinc/23/96/67/501239667.db2.gz XEBXXRYOMVDZOT-AWEZNQCLSA-N 0 1 360.805 3.158 20 5 FGBDMN Cc1ccc(SCCNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101779 501245847 /nfs/dbraw/zinc/24/58/47/501245847.db2.gz ACYJZBYTYBRTNS-HNNXBMFYSA-N 0 1 373.478 3.462 20 5 FGBDMN C[C@H]1COCC[C@@H]1c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000453166451 501283222 /nfs/dbraw/zinc/28/32/22/501283222.db2.gz AYYHMLNJJJINTD-GWCFXTLKSA-N 0 1 355.354 3.175 20 5 FGBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)co2)cc1 ZINC000451497242 501306519 /nfs/dbraw/zinc/30/65/19/501306519.db2.gz VYTXUJJJNATYGT-GVDBMIGSSA-N 0 1 355.394 3.297 20 5 FGBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H]2CCC[C@H]2O1 ZINC000451651416 501344666 /nfs/dbraw/zinc/34/46/66/501344666.db2.gz MRUHBXJWDXFVSN-IAGOWNOFSA-N 0 1 370.409 3.157 20 5 FGBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000451730796 501361919 /nfs/dbraw/zinc/36/19/19/501361919.db2.gz CBMXOWGNIGRDLB-IAGOWNOFSA-N 0 1 364.833 3.033 20 5 FGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@]2(CCOC2)C1 ZINC000451893399 501394517 /nfs/dbraw/zinc/39/45/17/501394517.db2.gz CAAQBZCQMWJRIS-ACJLOTCBSA-N 0 1 358.398 3.208 20 5 FGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(CC(F)(F)F)CC1 ZINC000452045927 501424471 /nfs/dbraw/zinc/42/44/71/501424471.db2.gz XMRFDIHCKQJYMS-UHFFFAOYSA-N 0 1 361.364 3.062 20 5 FGBDMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134458 501461949 /nfs/dbraw/zinc/46/19/49/501461949.db2.gz GNQBPKLWHKDCCJ-LLVKDONJSA-N 0 1 368.315 3.357 20 5 FGBDMN O=[N+]([O-])c1ccc2oc(CNCCc3cccc(C(F)(F)F)n3)nc2c1 ZINC000602676037 506256107 /nfs/dbraw/zinc/25/61/07/506256107.db2.gz PHUCBAGAHUSNLT-UHFFFAOYSA-N 0 1 366.299 3.482 20 5 FGBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000456314071 501495484 /nfs/dbraw/zinc/49/54/84/501495484.db2.gz VTJZEQVDUZUKGL-INIZCTEOSA-N 0 1 353.422 3.189 20 5 FGBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000592826576 506266496 /nfs/dbraw/zinc/26/64/96/506266496.db2.gz CPPJFBQJYVKKMZ-NSHDSACASA-N 0 1 357.414 3.227 20 5 FGBDMN Cc1c(CNCc2ccccc2N2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000459536168 501671776 /nfs/dbraw/zinc/67/17/76/501671776.db2.gz YCVQCGQLQUTRDT-OAHLLOKOSA-N 0 1 355.438 3.418 20 5 FGBDMN CCOc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])cc1OC ZINC000481298715 501736255 /nfs/dbraw/zinc/73/62/55/501736255.db2.gz JEJHNMJPZQSSDD-UHFFFAOYSA-N 0 1 370.365 3.439 20 5 FGBDMN COC(=O)c1c(Cl)c(N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596124995 506270087 /nfs/dbraw/zinc/27/00/87/506270087.db2.gz WHAYLEIHXHGLSS-GFCCVEGCSA-N 0 1 367.833 3.099 20 5 FGBDMN Cc1c(CNC(=O)c2ccc(Nc3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000481472825 501785879 /nfs/dbraw/zinc/78/58/79/501785879.db2.gz CPRJVYASENGHPZ-UHFFFAOYSA-N 0 1 362.389 3.394 20 5 FGBDMN Cc1cc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cn2c1 ZINC000588345892 506274010 /nfs/dbraw/zinc/27/40/10/506274010.db2.gz RRLVQIDQNFBOCS-UHFFFAOYSA-N 0 1 362.349 3.193 20 5 FGBDMN CCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000481873178 501904840 /nfs/dbraw/zinc/90/48/40/501904840.db2.gz YIDSULWJVZEVIG-UHFFFAOYSA-N 0 1 355.441 3.340 20 5 FGBDMN COc1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000485740744 501921366 /nfs/dbraw/zinc/92/13/66/501921366.db2.gz ATZGUFKZBBCJSQ-INIZCTEOSA-N 0 1 369.421 3.454 20 5 FGBDMN COc1cc(CN2CCN(Cc3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000485740201 501921562 /nfs/dbraw/zinc/92/15/62/501921562.db2.gz VSEMAFMPAHXAKO-UHFFFAOYSA-N 0 1 355.438 3.230 20 5 FGBDMN CCc1ccc([C@H](NC[C@@H](CO)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000482006102 501945247 /nfs/dbraw/zinc/94/52/47/501945247.db2.gz LIFKHQRTKFGHQF-GQIGUUNPSA-N 0 1 374.437 3.074 20 5 FGBDMN CCc1ccc([C@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CCO2)cc1 ZINC000482044958 501956971 /nfs/dbraw/zinc/95/69/71/501956971.db2.gz JPQIIUPFARRRCA-OAHLLOKOSA-N 0 1 372.425 3.217 20 5 FGBDMN COc1cccc(N2C[C@@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000482052331 501959200 /nfs/dbraw/zinc/95/92/00/501959200.db2.gz WLOJHRUPVGKIHA-HIFRSBDPSA-N 0 1 355.394 3.060 20 5 FGBDMN O=C(CN1C[C@H]2CCC[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464874583 502133546 /nfs/dbraw/zinc/13/35/46/502133546.db2.gz BOWADOFCARPHIK-ZIAGYGMSSA-N 0 1 372.450 3.389 20 5 FGBDMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3cccc([N+](=O)[O-])c3)cccc21 ZINC000468845646 502204054 /nfs/dbraw/zinc/20/40/54/502204054.db2.gz DFDVXQIAJQVUIX-QGZVFWFLSA-N 0 1 355.394 3.161 20 5 FGBDMN CCN(Cc1ccccc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475578553 502217328 /nfs/dbraw/zinc/21/73/28/502217328.db2.gz BKVZFNZBIVJJPE-UHFFFAOYSA-N 0 1 358.394 3.169 20 5 FGBDMN Cc1ccc2nc([C@H]3CCCN(c4cc[nH]c(=O)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000596189530 506300387 /nfs/dbraw/zinc/30/03/87/506300387.db2.gz 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COc1cc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000551708801 505288232 /nfs/dbraw/zinc/28/82/32/505288232.db2.gz MKLWSBFSWVNFNG-QGZVFWFLSA-N 0 1 373.428 3.101 20 5 FGBDMN O=c1[nH]nc(C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)o1 ZINC000555902181 505537209 /nfs/dbraw/zinc/53/72/09/505537209.db2.gz PPMMJTSAMZZXFC-UHFFFAOYSA-N 0 1 358.276 3.086 20 5 FGBDMN C[C@@H]1[C@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[N@H+]1C ZINC000593188358 506453438 /nfs/dbraw/zinc/45/34/38/506453438.db2.gz DSACXECMNOLHOG-XQQFMLRXSA-N 0 1 374.466 3.271 20 5 FGBDMN C[C@@H]1[C@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CN1C ZINC000593188358 506453443 /nfs/dbraw/zinc/45/34/43/506453443.db2.gz DSACXECMNOLHOG-XQQFMLRXSA-N 0 1 374.466 3.271 20 5 FGBDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593226033 506479080 /nfs/dbraw/zinc/47/90/80/506479080.db2.gz HLVSSGCCOGPMGL-ARFHVFGLSA-N 0 1 370.453 3.057 20 5 FGBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC(c3ccncc3)CC1)OCCO2 ZINC000589195037 506479667 /nfs/dbraw/zinc/47/96/67/506479667.db2.gz UIQIRGZUBDXCTK-UHFFFAOYSA-N 0 1 355.394 3.141 20 5 FGBDMN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309759 506513434 /nfs/dbraw/zinc/51/34/34/506513434.db2.gz OJLLPPGAWYYEPD-OAHLLOKOSA-N 0 1 350.806 3.161 20 5 FGBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586115 506513386 /nfs/dbraw/zinc/51/33/86/506513386.db2.gz GNEQMAWFLHKGJW-GJZGRUSLSA-N 0 1 364.442 3.273 20 5 FGBDMN CC1(C)CCC[C@](CO)(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000599597190 506521834 /nfs/dbraw/zinc/52/18/34/506521834.db2.gz VGCGIDPUUMUPNI-SFHVURJKSA-N 0 1 360.414 3.066 20 5 FGBDMN CCCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000589499623 506571012 /nfs/dbraw/zinc/57/10/12/506571012.db2.gz YDVAUDQZWCOUAB-MRXNPFEDSA-N 0 1 350.415 3.163 20 5 FGBDMN Cc1c(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000612432108 506576262 /nfs/dbraw/zinc/57/62/62/506576262.db2.gz DYFOGVYZXZPXAQ-ZDUSSCGKSA-N 0 1 363.439 3.126 20 5 FGBDMN COc1ccc([N+](=O)[O-])c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000583203857 506647657 /nfs/dbraw/zinc/64/76/57/506647657.db2.gz XJIIYMXACZLZSH-SFHVURJKSA-N 0 1 372.421 3.273 20 5 FGBDMN Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000604175878 506737781 /nfs/dbraw/zinc/73/77/81/506737781.db2.gz XLJCTUUFNMSFGD-UHFFFAOYSA-N 0 1 371.412 3.437 20 5 FGBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000604182704 506740373 /nfs/dbraw/zinc/74/03/73/506740373.db2.gz ISTBYISIRNBWEW-UHFFFAOYSA-N 0 1 365.305 3.084 20 5 FGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000593734084 506752217 /nfs/dbraw/zinc/75/22/17/506752217.db2.gz OYDDGIVEHAOEST-UHFFFAOYSA-N 0 1 374.368 3.476 20 5 FGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000593735408 506754498 /nfs/dbraw/zinc/75/44/98/506754498.db2.gz MRQDCNHJDPDACU-SFHVURJKSA-N 0 1 370.405 3.474 20 5 FGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000593735408 506754503 /nfs/dbraw/zinc/75/45/03/506754503.db2.gz MRQDCNHJDPDACU-SFHVURJKSA-N 0 1 370.405 3.474 20 5 FGBDMN Cc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000609135718 506787834 /nfs/dbraw/zinc/78/78/34/506787834.db2.gz FYFSYPYQOXFEIF-UHFFFAOYSA-N 0 1 351.366 3.178 20 5 FGBDMN Cc1ccc(CN(Cc2ccco2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000609167543 506801832 /nfs/dbraw/zinc/80/18/32/506801832.db2.gz DEMTWRTWCCRHRS-UHFFFAOYSA-N 0 1 360.395 3.432 20 5 FGBDMN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000604460940 506838179 /nfs/dbraw/zinc/83/81/79/506838179.db2.gz GZOOQYDHNSZLOR-NVXWUHKLSA-N 0 1 370.453 3.231 20 5 FGBDMN COC(=O)c1c(Cl)c(N[C@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000590587047 506869015 /nfs/dbraw/zinc/86/90/15/506869015.db2.gz UXANFJLQOFPKHQ-JTQLQIEISA-N 0 1 350.762 3.247 20 5 FGBDMN CNc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000609532666 506910662 /nfs/dbraw/zinc/91/06/62/506910662.db2.gz JPDQWXXBCAPTBS-UHFFFAOYSA-N 0 1 359.773 3.096 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)c1[N+](=O)[O-] ZINC000600475323 506964700 /nfs/dbraw/zinc/96/47/00/506964700.db2.gz GQTUXCMRXFAFSD-CYBMUJFWSA-N 0 1 360.389 3.428 20 5 FGBDMN CCc1[nH]nc(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000600490372 506972649 /nfs/dbraw/zinc/97/26/49/506972649.db2.gz VIIWZGZPTYCSAW-UHFFFAOYSA-N 0 1 368.315 3.098 20 5 FGBDMN CC(C)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000583911650 507045153 /nfs/dbraw/zinc/04/51/53/507045153.db2.gz FIHKOTSMXNDSKS-UHFFFAOYSA-N 0 1 368.306 3.174 20 5 FGBDMN CCCc1[nH]nc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000609991847 507064405 /nfs/dbraw/zinc/06/44/05/507064405.db2.gz XCYIALQMKRFZEG-AWEZNQCLSA-N 0 1 360.439 3.201 20 5 FGBDMN C[C@H](Cc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000610011058 507072541 /nfs/dbraw/zinc/07/25/41/507072541.db2.gz GJPGLYFYHXKADZ-LLVKDONJSA-N 0 1 369.356 3.336 20 5 FGBDMN C[C@H](C1CC1)N(C)CC(=O)Nc1cc(N(C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000591010684 507076314 /nfs/dbraw/zinc/07/63/14/507076314.db2.gz NPPKXNAHMKWDPL-KGLIPLIRSA-N 0 1 374.485 3.498 20 5 FGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594416724 507122947 /nfs/dbraw/zinc/12/29/47/507122947.db2.gz USYVFMSDCDZLEZ-GFCCVEGCSA-N 0 1 350.419 3.005 20 5 FGBDMN CCc1[nH]nc(C(=O)N([C@H](C)COC)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000600794684 507125722 /nfs/dbraw/zinc/12/57/22/507125722.db2.gz VYWRDFOFXUNMJT-WBMJQRKESA-N 0 1 372.425 3.045 20 5 FGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859669 507138028 /nfs/dbraw/zinc/13/80/28/507138028.db2.gz XKEPAFYNMYWPFP-OCCSQVGLSA-N 0 1 351.472 3.064 20 5 FGBDMN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000591194709 507149409 /nfs/dbraw/zinc/14/94/09/507149409.db2.gz ADPRCJDEQLQGSL-OAHLLOKOSA-N 0 1 363.421 3.249 20 5 FGBDMN CC1(C)C[C@H](NCc2n[nH]c([C@@H]3CCCO3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000594514690 507164322 /nfs/dbraw/zinc/16/43/22/507164322.db2.gz ZIOFSBFWKMOAOR-GJZGRUSLSA-N 0 1 357.414 3.077 20 5 FGBDMN C[C@@](CO)(NCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149121 507277858 /nfs/dbraw/zinc/27/78/58/507277858.db2.gz IWMCNMUKNFXJRN-INIZCTEOSA-N 0 1 365.227 3.355 20 5 FGBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461859 507357946 /nfs/dbraw/zinc/35/79/46/507357946.db2.gz DFLCHOWPWCOFPQ-KEYYUXOJSA-N 0 1 374.412 3.481 20 5 FGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000595320965 507459777 /nfs/dbraw/zinc/45/97/77/507459777.db2.gz JBVYFMLYIPOXGK-CQSZACIVSA-N 0 1 355.373 3.156 20 5 FGBDMN COc1ccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000611134299 507528510 /nfs/dbraw/zinc/52/85/10/507528510.db2.gz QMWDSANVBZJHRG-MRXNPFEDSA-N 0 1 355.394 3.191 20 5 FGBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nnc[nH]1 ZINC000611210605 507563102 /nfs/dbraw/zinc/56/31/02/507563102.db2.gz QFVYGOBIPFXOPT-SNVBAGLBSA-N 0 1 361.427 3.239 20 5 FGBDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286843 507606197 /nfs/dbraw/zinc/60/61/97/507606197.db2.gz QZYIYHSXBGVPFZ-UGSOOPFHSA-N 0 1 370.405 3.190 20 5 FGBDMN COC(=O)COc1ccc(CNC2(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000592372872 507624316 /nfs/dbraw/zinc/62/43/16/507624316.db2.gz ZKBRUVZORLMQEA-UHFFFAOYSA-N 0 1 370.405 3.234 20 5 FGBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]2CCCC[C@H]12 ZINC000595731000 507652383 /nfs/dbraw/zinc/65/23/83/507652383.db2.gz FNZCMKUMPRZCJH-BRWVUGGUSA-N 0 1 362.426 3.157 20 5 FGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccn(-c2ccncc2)n1 ZINC000522731370 562202908 /nfs/dbraw/zinc/20/29/08/562202908.db2.gz KRSGVURTZOGRLT-UHFFFAOYSA-N 0 1 357.757 3.010 20 5 FGBDMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000739719989 600329251 /nfs/dbraw/zinc/32/92/51/600329251.db2.gz DUCSGBHHBDRURM-UHFFFAOYSA-N 0 1 368.311 3.489 20 5 FGBDMN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000739719989 600329255 /nfs/dbraw/zinc/32/92/55/600329255.db2.gz DUCSGBHHBDRURM-UHFFFAOYSA-N 0 1 368.311 3.489 20 5 FGBDMN CC(C)c1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000833510237 604654607 /nfs/dbraw/zinc/65/46/07/604654607.db2.gz OZKOCLWLIHBKOL-HNNXBMFYSA-N 0 1 350.415 3.174 20 5 FGBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000833420320 604864466 /nfs/dbraw/zinc/86/44/66/604864466.db2.gz QHRBOAGMDXSHFL-MRXNPFEDSA-N 0 1 372.425 3.239 20 5 FGBDMN